data_9GPS
# 
_entry.id   9GPS 
# 
_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   9GPS         pdb_00009gps 10.2210/pdb9gps/pdb 
WWPDB D_1292141189 ?            ?                   
# 
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                        9GPS 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-09 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              felix.hausch@tu-darmstadt.de 
_pdbx_contact_author.name_first         Felix 
_pdbx_contact_author.name_last          Hausch 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-3710-8838 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Meyners, C.' 1 ? 
'Buffa, V.'   2 ? 
'Walz, C.'    3 ? 
'Hausch, F.'  4 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   GE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Angew.Chem.Int.Ed.Engl. 
_citation.journal_id_ASTM           ACIEAY 
_citation.journal_id_CSD            0179 
_citation.journal_id_ISSN           1521-3773 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            64 
_citation.language                  ? 
_citation.page_first                e202418512 
_citation.page_last                 e202418512 
_citation.title                     
'Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/anie.202418512 
_citation.pdbx_database_id_PubMed   39749563 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Buffa, V.'        1  ?                   
primary 'Walz, C.'         2  ?                   
primary 'Meyners, C.'      3  ?                   
primary 'Zheng, M.'        4  ?                   
primary 'Oki Sugiarto, W.' 5  ?                   
primary 'Repity, M.'       6  ?                   
primary 'Achaq, H.'        7  ?                   
primary 'Brudy, C.'        8  ?                   
primary 'Spiske, M.'       9  ?                   
primary 'Cica, M.'         10 ?                   
primary 'Hausch, F.'       11 0000-0002-3710-8838 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Peptidyl-prolyl cis-trans isomerase FKBP5' 14004.026 2  5.2.1.8 'A19T, C103A, C107I' ? ? 
2 non-polymer syn 
;3-cyclohexyl-19,20-dimethoxy-19-methyl-11,20-dioxa-5-aza-1lambda5-polona-1,19lambda5-dithia-18-azanida-1lambda5-stannapentacyclo[19.2.1.05,10.013,18.018,22]tetracosane-4,12-quinone
;
568.704   2  ?       ?                    ? ? 
3 water       nat water 18.015    83 ?       ?                    ? ? 
# 
_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 
;3-cyclohexyl-19,20-dimethoxy-19-methyl-11,20-dioxa-5-aza-1lambda5-polona-1,19lambda5-dithia-18-azanida-1lambda5-stannapentacyclo[19.2.1.05,10.013,18.018,22]tetracosane-4,12-quinone
;
A1INV 
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 
A1INV non-polymer         . 
;3-cyclohexyl-19,20-dimethoxy-19-methyl-11,20-dioxa-5-aza-1lambda5-polona-1,19lambda5-dithia-18-azanida-1lambda5-stannapentacyclo[19.2.1.05,10.013,18.018,22]tetracosane-4,12-quinone
;
? 'C31 H44 N4 O6'  568.704 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'   121.158 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER ? 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'     105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   13  13  GLY GLY 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        A1INV 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1INV 
_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 A1INV 1  201 201 A1INV DRG A . 
D 2 A1INV 1  201 201 A1INV DRG B . 
E 3 HOH   1  301 47  HOH   HOH A . 
E 3 HOH   2  302 73  HOH   HOH A . 
E 3 HOH   3  303 75  HOH   HOH A . 
E 3 HOH   4  304 44  HOH   HOH A . 
E 3 HOH   5  305 79  HOH   HOH A . 
E 3 HOH   6  306 34  HOH   HOH A . 
E 3 HOH   7  307 78  HOH   HOH A . 
E 3 HOH   8  308 31  HOH   HOH A . 
E 3 HOH   9  309 60  HOH   HOH A . 
E 3 HOH   10 310 19  HOH   HOH A . 
E 3 HOH   11 311 7   HOH   HOH A . 
E 3 HOH   12 312 15  HOH   HOH A . 
E 3 HOH   13 313 4   HOH   HOH A . 
E 3 HOH   14 314 61  HOH   HOH A . 
E 3 HOH   15 315 33  HOH   HOH A . 
E 3 HOH   16 316 35  HOH   HOH A . 
E 3 HOH   17 317 37  HOH   HOH A . 
E 3 HOH   18 318 68  HOH   HOH A . 
E 3 HOH   19 319 18  HOH   HOH A . 
E 3 HOH   20 320 41  HOH   HOH A . 
E 3 HOH   21 321 49  HOH   HOH A . 
E 3 HOH   22 322 14  HOH   HOH A . 
E 3 HOH   23 323 26  HOH   HOH A . 
E 3 HOH   24 324 43  HOH   HOH A . 
E 3 HOH   25 325 40  HOH   HOH A . 
E 3 HOH   26 326 77  HOH   HOH A . 
E 3 HOH   27 327 70  HOH   HOH A . 
E 3 HOH   28 328 16  HOH   HOH A . 
E 3 HOH   29 329 59  HOH   HOH A . 
E 3 HOH   30 330 50  HOH   HOH A . 
E 3 HOH   31 331 82  HOH   HOH A . 
E 3 HOH   32 332 2   HOH   HOH A . 
E 3 HOH   33 333 1   HOH   HOH A . 
E 3 HOH   34 334 13  HOH   HOH A . 
E 3 HOH   35 335 29  HOH   HOH A . 
E 3 HOH   36 336 27  HOH   HOH A . 
E 3 HOH   37 337 12  HOH   HOH A . 
E 3 HOH   38 338 25  HOH   HOH A . 
E 3 HOH   39 339 71  HOH   HOH A . 
E 3 HOH   40 340 42  HOH   HOH A . 
E 3 HOH   41 341 55  HOH   HOH A . 
E 3 HOH   42 342 66  HOH   HOH A . 
E 3 HOH   43 343 64  HOH   HOH A . 
E 3 HOH   44 344 67  HOH   HOH A . 
F 3 HOH   1  301 83  HOH   HOH B . 
F 3 HOH   2  302 48  HOH   HOH B . 
F 3 HOH   3  303 24  HOH   HOH B . 
F 3 HOH   4  304 10  HOH   HOH B . 
F 3 HOH   5  305 76  HOH   HOH B . 
F 3 HOH   6  306 36  HOH   HOH B . 
F 3 HOH   7  307 30  HOH   HOH B . 
F 3 HOH   8  308 8   HOH   HOH B . 
F 3 HOH   9  309 32  HOH   HOH B . 
F 3 HOH   10 310 57  HOH   HOH B . 
F 3 HOH   11 311 39  HOH   HOH B . 
F 3 HOH   12 312 23  HOH   HOH B . 
F 3 HOH   13 313 9   HOH   HOH B . 
F 3 HOH   14 314 58  HOH   HOH B . 
F 3 HOH   15 315 56  HOH   HOH B . 
F 3 HOH   16 316 63  HOH   HOH B . 
F 3 HOH   17 317 81  HOH   HOH B . 
F 3 HOH   18 318 52  HOH   HOH B . 
F 3 HOH   19 319 21  HOH   HOH B . 
F 3 HOH   20 320 22  HOH   HOH B . 
F 3 HOH   21 321 54  HOH   HOH B . 
F 3 HOH   22 322 6   HOH   HOH B . 
F 3 HOH   23 323 11  HOH   HOH B . 
F 3 HOH   24 324 38  HOH   HOH B . 
F 3 HOH   25 325 3   HOH   HOH B . 
F 3 HOH   26 326 17  HOH   HOH B . 
F 3 HOH   27 327 20  HOH   HOH B . 
F 3 HOH   28 328 74  HOH   HOH B . 
F 3 HOH   29 329 28  HOH   HOH B . 
F 3 HOH   30 330 5   HOH   HOH B . 
F 3 HOH   31 331 53  HOH   HOH B . 
F 3 HOH   32 332 46  HOH   HOH B . 
F 3 HOH   33 333 45  HOH   HOH B . 
F 3 HOH   34 334 80  HOH   HOH B . 
F 3 HOH   35 335 69  HOH   HOH B . 
F 3 HOH   36 336 72  HOH   HOH B . 
F 3 HOH   37 337 51  HOH   HOH B . 
F 3 HOH   38 338 65  HOH   HOH B . 
F 3 HOH   39 339 62  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 GLN 21  ? CG  ? A GLN 9   CG  
6   1 Y 1 A GLN 21  ? CD  ? A GLN 9   CD  
7   1 Y 1 A GLN 21  ? OE1 ? A GLN 9   OE1 
8   1 Y 1 A GLN 21  ? NE2 ? A GLN 9   NE2 
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 99  ? CG  ? A LYS 87  CG  
38  1 Y 1 A LYS 99  ? CD  ? A LYS 87  CD  
39  1 Y 1 A LYS 99  ? CE  ? A LYS 87  CE  
40  1 Y 1 A LYS 99  ? NZ  ? A LYS 87  NZ  
41  1 Y 1 A LYS 108 ? CG  ? A LYS 96  CG  
42  1 Y 1 A LYS 108 ? CD  ? A LYS 96  CD  
43  1 Y 1 A LYS 108 ? CE  ? A LYS 96  CE  
44  1 Y 1 A LYS 108 ? NZ  ? A LYS 96  NZ  
45  1 Y 1 A LYS 138 ? CG  ? A LYS 126 CG  
46  1 Y 1 A LYS 138 ? CD  ? A LYS 126 CD  
47  1 Y 1 A LYS 138 ? CE  ? A LYS 126 CE  
48  1 Y 1 A LYS 138 ? NZ  ? A LYS 126 NZ  
49  1 Y 1 A GLU 140 ? CG  ? A GLU 128 CG  
50  1 Y 1 A GLU 140 ? CD  ? A GLU 128 CD  
51  1 Y 1 A GLU 140 ? OE1 ? A GLU 128 OE1 
52  1 Y 1 A GLU 140 ? OE2 ? A GLU 128 OE2 
53  1 Y 1 B GLU 44  ? CG  ? B GLU 32  CG  
54  1 Y 1 B GLU 44  ? CD  ? B GLU 32  CD  
55  1 Y 1 B GLU 44  ? OE1 ? B GLU 32  OE1 
56  1 Y 1 B GLU 44  ? OE2 ? B GLU 32  OE2 
57  1 Y 1 B GLU 45  ? CG  ? B GLU 33  CG  
58  1 Y 1 B GLU 45  ? CD  ? B GLU 33  CD  
59  1 Y 1 B GLU 45  ? OE1 ? B GLU 33  OE1 
60  1 Y 1 B GLU 45  ? OE2 ? B GLU 33  OE2 
61  1 Y 1 B LYS 52  ? CG  ? B LYS 40  CG  
62  1 Y 1 B LYS 52  ? CD  ? B LYS 40  CD  
63  1 Y 1 B LYS 52  ? CE  ? B LYS 40  CE  
64  1 Y 1 B LYS 52  ? NZ  ? B LYS 40  NZ  
65  1 Y 1 B LYS 58  ? CG  ? B LYS 46  CG  
66  1 Y 1 B LYS 58  ? CD  ? B LYS 46  CD  
67  1 Y 1 B LYS 58  ? CE  ? B LYS 46  CE  
68  1 Y 1 B LYS 58  ? NZ  ? B LYS 46  NZ  
69  1 Y 1 B ASN 63  ? CG  ? B ASN 51  CG  
70  1 Y 1 B ASN 63  ? OD1 ? B ASN 51  OD1 
71  1 Y 1 B ASN 63  ? ND2 ? B ASN 51  ND2 
72  1 Y 1 B LYS 65  ? CG  ? B LYS 53  CG  
73  1 Y 1 B LYS 65  ? CD  ? B LYS 53  CD  
74  1 Y 1 B LYS 65  ? CE  ? B LYS 53  CE  
75  1 Y 1 B LYS 65  ? NZ  ? B LYS 53  NZ  
76  1 Y 1 B LYS 66  ? CG  ? B LYS 54  CG  
77  1 Y 1 B LYS 66  ? CD  ? B LYS 54  CD  
78  1 Y 1 B LYS 66  ? CE  ? B LYS 54  CE  
79  1 Y 1 B LYS 66  ? NZ  ? B LYS 54  NZ  
80  1 Y 1 B ARG 73  ? CG  ? B ARG 61  CG  
81  1 Y 1 B ARG 73  ? CD  ? B ARG 61  CD  
82  1 Y 1 B ARG 73  ? NE  ? B ARG 61  NE  
83  1 Y 1 B ARG 73  ? CZ  ? B ARG 61  CZ  
84  1 Y 1 B ARG 73  ? NH1 ? B ARG 61  NH1 
85  1 Y 1 B ARG 73  ? NH2 ? B ARG 61  NH2 
86  1 Y 1 B ASN 74  ? CG  ? B ASN 62  CG  
87  1 Y 1 B ASN 74  ? OD1 ? B ASN 62  OD1 
88  1 Y 1 B ASN 74  ? ND2 ? B ASN 62  ND2 
89  1 Y 1 B GLU 75  ? CG  ? B GLU 63  CG  
90  1 Y 1 B GLU 75  ? CD  ? B GLU 63  CD  
91  1 Y 1 B GLU 75  ? OE1 ? B GLU 63  OE1 
92  1 Y 1 B GLU 75  ? OE2 ? B GLU 63  OE2 
93  1 Y 1 B LYS 83  ? CG  ? B LYS 71  CG  
94  1 Y 1 B LYS 83  ? CD  ? B LYS 71  CD  
95  1 Y 1 B LYS 83  ? CE  ? B LYS 71  CE  
96  1 Y 1 B LYS 83  ? NZ  ? B LYS 71  NZ  
97  1 Y 1 B LYS 88  ? CG  ? B LYS 76  CG  
98  1 Y 1 B LYS 88  ? CD  ? B LYS 76  CD  
99  1 Y 1 B LYS 88  ? CE  ? B LYS 76  CE  
100 1 Y 1 B LYS 88  ? NZ  ? B LYS 76  NZ  
101 1 Y 1 B LYS 99  ? CG  ? B LYS 87  CG  
102 1 Y 1 B LYS 99  ? CD  ? B LYS 87  CD  
103 1 Y 1 B LYS 99  ? CE  ? B LYS 87  CE  
104 1 Y 1 B LYS 99  ? NZ  ? B LYS 87  NZ  
105 1 Y 1 B LYS 138 ? CG  ? B LYS 126 CG  
106 1 Y 1 B LYS 138 ? CD  ? B LYS 126 CD  
107 1 Y 1 B LYS 138 ? CE  ? B LYS 126 CE  
108 1 Y 1 B LYS 138 ? NZ  ? B LYS 126 NZ  
109 1 Y 1 B GLU 140 ? CG  ? B GLU 128 CG  
110 1 Y 1 B GLU 140 ? CD  ? B GLU 128 CD  
111 1 Y 1 B GLU 140 ? OE1 ? B GLU 128 OE1 
112 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 scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                            2 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .                            3 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoXDS ? ? ? .                            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                     9GPS 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     48.974 
_cell.length_a_esd                 ? 
_cell.length_b                     48.974 
_cell.length_b_esd                 ? 
_cell.length_c                     196.224 
_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                         9GPS 
_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                   9GPS 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.43 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          49.29 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '16% PEG3350, 0.2M ammonium acetate, 0.1M HEPES-NaOH pH 7.5, 10% glycol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 S 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-03-15 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.918400 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'BESSY BEAMLINE 14.1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.918400 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   14.1 
_diffrn_source.pdbx_synchrotron_site       BESSY 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9GPS 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.90 
_reflns.d_resolution_low                               49.06 
_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                                     22579 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                11.4 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          17.8 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.03 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.077 
_reflns.pdbx_Rpim_I_all                                0.030 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.070 
_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 
9.11 49.06 ? 51.4 ? ? ? ? 271  ? ? ? ? ? ? ? ? ? ? ? 8.5 0.69 ? ? 0.027 0.011 ? 1 ? 1.000 ? ? 99.5 ? 0.025 ? ? ? ? ? ? ? ? ? 
1.90 1.94  ? 1.5  ? ? ? ? 1425 ? ? ? ? ? ? ? ? ? ? ? 8.7 1.07 ? ? 1.654 0.752 ? 2 ? 0.523 ? ? 99.7 ? 1.463 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            -0.298 
_refine.aniso_B[1][2]                            -0.149 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.298 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.968 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               43.995 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.953 
_refine.correlation_coeff_Fo_to_Fc_free          0.939 
_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                                 9GPS 
_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                            1.900 
_refine.ls_d_res_low                             42.449 
_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                     22513 
_refine.ls_number_reflns_R_free                  1071 
_refine.ls_number_reflns_R_work                  21442 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.911 
_refine.ls_percent_reflns_R_free                 4.757 
_refine.ls_R_factor_all                          0.219 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2638 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2169 
_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                       0.163 
_refine.pdbx_overall_ESU_R_Free                  0.157 
_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                             8.841 
_refine.overall_SU_ML                            0.124 
_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                       1.900 
_refine_hist.d_res_low                        42.449 
_refine_hist.number_atoms_solvent             83 
_refine_hist.number_atoms_total               2027 
_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        1862 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         82 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.011  0.012  1992 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1821 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.939  1.815  2705 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.686  1.735  4241 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.861  5.000  254  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 35.572 14.375 16   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.111 10.000 290  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.085 10.000 67   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.098  0.200  300  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  2270 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  398  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.205  0.200  353  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.198  0.200  1631 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.181  0.200  1025 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.089  0.200  1018 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.164  0.200  96   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.129  0.200  4    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.136  0.200  22   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.203  0.200  12   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 3.046  2.686  1022 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.037  2.686  1022 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.060  4.814  1274 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.059  4.816  1275 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.486  2.878  970  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.484  2.878  971  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 5.045  5.171  1431 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 5.044  5.170  1432 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.750  26.071 2188 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.749  25.416 2171 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 0.086  0.050  3536 ? 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 ? ? 0.08626 ? 0.05008 1 'Local ncs' ? A ? ? ? 1 
'X-RAY DIFFRACTION' 2 ? ? 0.08626 ? 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' 1.900 1.949  1638 . 81 1551 99.6337  . 0.307 . . 0.303 . . . . . 0.299 . 20 . 0.921 0.901 0.383 
'X-RAY DIFFRACTION' 1.949 2.003  1553 . 62 1491 100.0000 . 0.262 . . 0.260 . . . . . 0.250 . 20 . 0.948 0.931 0.320 
'X-RAY DIFFRACTION' 2.003 2.060  1571 . 82 1487 99.8727  . 0.258 . . 0.255 . . . . . 0.240 . 20 . 0.954 0.937 0.315 
'X-RAY DIFFRACTION' 2.060 2.124  1525 . 67 1458 100.0000 . 0.229 . . 0.227 . . . . . 0.206 . 20 . 0.963 0.944 0.289 
'X-RAY DIFFRACTION' 2.124 2.193  1413 . 67 1346 100.0000 . 0.215 . . 0.214 . . . . . 0.193 . 20 . 0.970 0.971 0.237 
'X-RAY DIFFRACTION' 2.193 2.270  1418 . 95 1323 100.0000 . 0.232 . . 0.228 . . . . . 0.201 . 20 . 0.965 0.948 0.282 
'X-RAY DIFFRACTION' 2.270 2.355  1387 . 76 1311 100.0000 . 0.237 . . 0.233 . . . . . 0.206 . 20 . 0.965 0.941 0.312 
'X-RAY DIFFRACTION' 2.355 2.451  1325 . 69 1256 100.0000 . 0.209 . . 0.207 . . . . . 0.181 . 20 . 0.974 0.962 0.243 
'X-RAY DIFFRACTION' 2.451 2.560  1244 . 66 1177 99.9196  . 0.212 . . 0.209 . . . . . 0.186 . 20 . 0.973 0.958 0.268 
'X-RAY DIFFRACTION' 2.560 2.684  1218 . 50 1167 99.9179  . 0.229 . . 0.227 . . . . . 0.205 . 20 . 0.968 0.938 0.302 
'X-RAY DIFFRACTION' 2.684 2.829  1165 . 55 1109 99.9142  . 0.233 . . 0.229 . . . . . 0.210 . 20 . 0.965 0.939 0.321 
'X-RAY DIFFRACTION' 2.829 3.000  1086 . 52 1034 100.0000 . 0.222 . . 0.221 . . . . . 0.204 . 20 . 0.968 0.966 0.239 
'X-RAY DIFFRACTION' 3.000 3.206  1038 . 35 1003 100.0000 . 0.222 . . 0.218 . . . . . 0.209 . 20 . 0.969 0.909 0.385 
'X-RAY DIFFRACTION' 3.206 3.461  996  . 50 945  99.8996  . 0.242 . . 0.242 . . . . . 0.236 . 20 . 0.968 0.961 0.257 
'X-RAY DIFFRACTION' 3.461 3.789  903  . 34 868  99.8893  . 0.226 . . 0.224 . . . . . 0.222 . 20 . 0.974 0.964 0.263 
'X-RAY DIFFRACTION' 3.789 4.232  815  . 27 788  100.0000 . 0.191 . . 0.189 . . . . . 0.194 . 20 . 0.981 0.961 0.269 
'X-RAY DIFFRACTION' 4.232 4.878  762  . 30 731  99.8688  . 0.148 . . 0.148 . . . . . 0.162 . 20 . 0.988 0.985 0.158 
'X-RAY DIFFRACTION' 4.878 5.955  625  . 37 586  99.6800  . 0.203 . . 0.206 . . . . . 0.219 . 20 . 0.977 0.981 0.166 
'X-RAY DIFFRACTION' 5.955 8.340  518  . 26 492  100.0000 . 0.259 . . 0.254 . . . . . 0.272 . 20 . 0.968 0.924 0.359 
'X-RAY DIFFRACTION' 8.340 42.449 332  . 10 319  99.0964  . 0.255 . . 0.253 . . . . . 0.314 . 20 . 0.945 0.959 0.337 
# 
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                     9GPS 
_struct.title                        'The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/p' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9GPS 
_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 9GPS A 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
2 1 9GPS 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 9GPS GLY A 1  ? UNP Q13451 ?   ?   'expression tag'      13  1  
1 9GPS ALA A 2  ? UNP Q13451 ?   ?   'expression tag'      14  2  
1 9GPS PRO A 3  ? UNP Q13451 ?   ?   'expression tag'      15  3  
1 9GPS THR A 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  4  
1 9GPS ALA A 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 5  
1 9GPS ILE A 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 6  
2 9GPS GLY B 1  ? UNP Q13451 ?   ?   'expression tag'      13  7  
2 9GPS ALA B 2  ? UNP Q13451 ?   ?   'expression tag'      14  8  
2 9GPS PRO B 3  ? UNP Q13451 ?   ?   'expression tag'      15  9  
2 9GPS THR B 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  10 
2 9GPS ALA B 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 11 
2 9GPS 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 7.36 
2 LEU 107 B . ? LEU 119 B PRO 108 B ? PRO 120 B 1 1.05 
# 
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 ASP B 56  ? SER B 57  ? ASP B 68  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 LYS A 26  ? N LYS A 38  O ILE A 90  ? O ILE A 102 
AA1 3 4 N ALA A 91  ? N ALA A 103 O ILE A 120 ? O ILE A 132 
AA1 4 5 O GLU A 121 ? O GLU A 133 N HIS A 44  ? N HIS A 56  
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 LYS A 26  ? N LYS A 38  O ILE A 90  ? O ILE A 102 
AA2 3 4 N ALA A 91  ? N ALA A 103 O ILE A 120 ? O ILE A 132 
AA2 4 5 O GLU A 121 ? O GLU A 133 N HIS A 44  ? N HIS A 56  
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 ALA B 91  ? N ALA B 103 O ILE B 120 ? O ILE B 132 
AA3 4 5 O GLU B 121 ? O GLU B 133 N HIS B 44  ? N HIS B 56  
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 ALA B 91  ? N ALA B 103 O ILE B 120 ? O ILE B 132 
AA4 4 5 O GLU B 121 ? O GLU B 133 N HIS B 44  ? N HIS B 56  
AA4 5 6 N VAL B 41  ? N VAL B 53  O PHE B 67  ? O PHE B 79  
# 
_pdbx_entry_details.entry_id                   9GPS 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O B HOH 328 ? ? O B HOH 330 ? ? 2.08 
2 1 O A HOH 326 ? ? O A HOH 337 ? ? 2.16 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             A 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              39 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             A 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              39 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             A 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              39 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                124.82 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            13.02 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN A 74  ? ? 54.25   15.94   
2 1 ALA A 112 ? ? -126.18 -103.49 
3 1 SER A 118 ? ? -151.35 65.06   
4 1 ALA B 112 ? ? -131.19 -105.40 
5 1 SER B 118 ? ? -161.42 72.46   
# 
_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    A 
_pdbx_validate_planes.auth_seq_id     39 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.080 
_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 -18.3124 1.1539  3.1816  0.1376 ? -0.0772 ? 0.0012  ? 0.0485 ? -0.0186 ? 0.0704 ? 3.3171 ? -1.2541 
? 0.2532 ? 4.6871 ? -0.6959 ? 3.0248 ? -0.0266 ? -0.0130 ? -0.0133 ? -0.4476 ? 0.1473 ? 0.4216  ? 0.1679  ? -0.0905 ? -0.1208 ? 
2 'X-RAY DIFFRACTION' ? refined -8.9121  16.1589 28.7299 0.0205 ? -0.0211 ? -0.0116 ? 0.0794 ? -0.0415 ? 0.1610 ? 3.3508 ? 0.2170  
? 0.1442 ? 3.8409 ? 0.6274  ? 3.6058 ? -0.1545 ? 0.0181  ? 0.5749  ? -0.1473 ? 0.1223 ? -0.3617 ? -0.1928 ? 0.2033  ? 0.0322  ? 
# 
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 201 ? ALL ? 
2 'X-RAY DIFFRACTION' 2 ? ? B 13 ? ? ? B 201 ? ALL ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
A1INV C4   C Y N 1   
A1INV C14  C Y N 2   
A1INV C5   C Y N 3   
A1INV C6   C Y N 4   
A1INV C11  C N N 5   
A1INV C7   C Y N 6   
A1INV C8   C N N 7   
A1INV C9   C N R 8   
A1INV C10  C N N 9   
A1INV C12  C N N 10  
A1INV C13  C Y N 11  
A1INV N1   N Y N 12  
A1INV N2   N Y N 13  
A1INV C3   C Y N 14  
A1INV N3   N Y N 15  
A1INV C1   C N N 16  
A1INV O1   O N N 17  
A1INV C2   C Y N 18  
A1INV O2   O N N 19  
A1INV O3   O N N 20  
A1INV C15  C N N 21  
A1INV C16  C N N 22  
A1INV C17  C N N 23  
A1INV O4   O N N 24  
A1INV C18  C N N 25  
A1INV O5   O N N 26  
A1INV C19  C N S 27  
A1INV C20  C N N 28  
A1INV C21  C N N 29  
A1INV C22  C N N 30  
A1INV C23  C N N 31  
A1INV N4   N N N 32  
A1INV C24  C N N 33  
A1INV O6   O N N 34  
A1INV C25  C N S 35  
A1INV C26  C N N 36  
A1INV C27  C N N 37  
A1INV C28  C N N 38  
A1INV C29  C N N 39  
A1INV C30  C N N 40  
A1INV C31  C N N 41  
A1INV H5   H N N 42  
A1INV H14  H N N 43  
A1INV H13  H N N 44  
A1INV H7   H N N 45  
A1INV H8   H N N 46  
A1INV H6   H N N 47  
A1INV H9   H N N 48  
A1INV H12  H N N 49  
A1INV H10  H N N 50  
A1INV H11  H N N 51  
A1INV H15  H N N 52  
A1INV H16  H N N 53  
A1INV H17  H N N 54  
A1INV H4   H N N 55  
A1INV H2   H N N 56  
A1INV H3   H N N 57  
A1INV H1   H N N 58  
A1INV H19  H N N 59  
A1INV H18  H N N 60  
A1INV H20  H N N 61  
A1INV H21  H N N 62  
A1INV H23  H N N 63  
A1INV H22  H N N 64  
A1INV H24  H N N 65  
A1INV H26  H N N 66  
A1INV H25  H N N 67  
A1INV H27  H N N 68  
A1INV H28  H N N 69  
A1INV H29  H N N 70  
A1INV H30  H N N 71  
A1INV H31  H N N 72  
A1INV H32  H N N 73  
A1INV H33  H N N 74  
A1INV H34  H N N 75  
A1INV H36  H N N 76  
A1INV H35  H N N 77  
A1INV H37  H N N 78  
A1INV H38  H N N 79  
A1INV H39  H N N 80  
A1INV H40  H N N 81  
A1INV H41  H N N 82  
A1INV H42  H N N 83  
A1INV H44  H N N 84  
A1INV H43  H N N 85  
ALA   N    N N N 86  
ALA   CA   C N S 87  
ALA   C    C N N 88  
ALA   O    O N N 89  
ALA   CB   C N N 90  
ALA   OXT  O N N 91  
ALA   H    H N N 92  
ALA   H2   H N N 93  
ALA   HA   H N N 94  
ALA   HB1  H N N 95  
ALA   HB2  H N N 96  
ALA   HB3  H N N 97  
ALA   HXT  H N N 98  
ARG   N    N N N 99  
ARG   CA   C N S 100 
ARG   C    C N N 101 
ARG   O    O N N 102 
ARG   CB   C N N 103 
ARG   CG   C N N 104 
ARG   CD   C N N 105 
ARG   NE   N N N 106 
ARG   CZ   C N N 107 
ARG   NH1  N N N 108 
ARG   NH2  N N N 109 
ARG   OXT  O N N 110 
ARG   H    H N N 111 
ARG   H2   H N N 112 
ARG   HA   H N N 113 
ARG   HB2  H N N 114 
ARG   HB3  H N N 115 
ARG   HG2  H N N 116 
ARG   HG3  H N N 117 
ARG   HD2  H N N 118 
ARG   HD3  H N N 119 
ARG   HE   H N N 120 
ARG   HH11 H N N 121 
ARG   HH12 H N N 122 
ARG   HH21 H N N 123 
ARG   HH22 H N N 124 
ARG   HXT  H N N 125 
ASN   N    N N N 126 
ASN   CA   C N S 127 
ASN   C    C N N 128 
ASN   O    O N N 129 
ASN   CB   C N N 130 
ASN   CG   C N N 131 
ASN   OD1  O N N 132 
ASN   ND2  N N N 133 
ASN   OXT  O N N 134 
ASN   H    H N N 135 
ASN   H2   H N N 136 
ASN   HA   H N N 137 
ASN   HB2  H N N 138 
ASN   HB3  H N N 139 
ASN   HD21 H N N 140 
ASN   HD22 H N N 141 
ASN   HXT  H N N 142 
ASP   N    N N N 143 
ASP   CA   C N S 144 
ASP   C    C N N 145 
ASP   O    O N N 146 
ASP   CB   C N N 147 
ASP   CG   C N N 148 
ASP   OD1  O N N 149 
ASP   OD2  O N N 150 
ASP   OXT  O N N 151 
ASP   H    H N N 152 
ASP   H2   H N N 153 
ASP   HA   H N N 154 
ASP   HB2  H N N 155 
ASP   HB3  H N N 156 
ASP   HD2  H N N 157 
ASP   HXT  H N N 158 
CYS   N    N N N 159 
CYS   CA   C N R 160 
CYS   C    C N N 161 
CYS   O    O N N 162 
CYS   CB   C N N 163 
CYS   SG   S N N 164 
CYS   OXT  O N N 165 
CYS   H    H N N 166 
CYS   H2   H N N 167 
CYS   HA   H N N 168 
CYS   HB2  H N N 169 
CYS   HB3  H N N 170 
CYS   HG   H N N 171 
CYS   HXT  H N N 172 
GLN   N    N N N 173 
GLN   CA   C N S 174 
GLN   C    C N N 175 
GLN   O    O N N 176 
GLN   CB   C N N 177 
GLN   CG   C N N 178 
GLN   CD   C N N 179 
GLN   OE1  O N N 180 
GLN   NE2  N N N 181 
GLN   OXT  O N N 182 
GLN   H    H N N 183 
GLN   H2   H N N 184 
GLN   HA   H N N 185 
GLN   HB2  H N N 186 
GLN   HB3  H N N 187 
GLN   HG2  H N N 188 
GLN   HG3  H N N 189 
GLN   HE21 H N N 190 
GLN   HE22 H N N 191 
GLN   HXT  H N N 192 
GLU   N    N N N 193 
GLU   CA   C N S 194 
GLU   C    C N N 195 
GLU   O    O N N 196 
GLU   CB   C N N 197 
GLU   CG   C N N 198 
GLU   CD   C N N 199 
GLU   OE1  O N N 200 
GLU   OE2  O N N 201 
GLU   OXT  O N N 202 
GLU   H    H N N 203 
GLU   H2   H N N 204 
GLU   HA   H N N 205 
GLU   HB2  H N N 206 
GLU   HB3  H N N 207 
GLU   HG2  H N N 208 
GLU   HG3  H N N 209 
GLU   HE2  H N N 210 
GLU   HXT  H N N 211 
GLY   N    N N N 212 
GLY   CA   C N N 213 
GLY   C    C N N 214 
GLY   O    O N N 215 
GLY   OXT  O N N 216 
GLY   H    H N N 217 
GLY   H2   H N N 218 
GLY   HA2  H N N 219 
GLY   HA3  H N N 220 
GLY   HXT  H N N 221 
HIS   N    N N N 222 
HIS   CA   C N S 223 
HIS   C    C N N 224 
HIS   O    O N N 225 
HIS   CB   C N N 226 
HIS   CG   C Y N 227 
HIS   ND1  N Y N 228 
HIS   CD2  C Y N 229 
HIS   CE1  C Y N 230 
HIS   NE2  N Y N 231 
HIS   OXT  O N N 232 
HIS   H    H N N 233 
HIS   H2   H N N 234 
HIS   HA   H N N 235 
HIS   HB2  H N N 236 
HIS   HB3  H N N 237 
HIS   HD1  H N N 238 
HIS   HD2  H N N 239 
HIS   HE1  H N N 240 
HIS   HE2  H N N 241 
HIS   HXT  H N N 242 
HOH   O    O N N 243 
HOH   H1   H N N 244 
HOH   H2   H N N 245 
ILE   N    N N N 246 
ILE   CA   C N S 247 
ILE   C    C N N 248 
ILE   O    O N N 249 
ILE   CB   C N S 250 
ILE   CG1  C N N 251 
ILE   CG2  C N N 252 
ILE   CD1  C N N 253 
ILE   OXT  O N N 254 
ILE   H    H N N 255 
ILE   H2   H N N 256 
ILE   HA   H N N 257 
ILE   HB   H N N 258 
ILE   HG12 H N N 259 
ILE   HG13 H N N 260 
ILE   HG21 H N N 261 
ILE   HG22 H N N 262 
ILE   HG23 H N N 263 
ILE   HD11 H N N 264 
ILE   HD12 H N N 265 
ILE   HD13 H N N 266 
ILE   HXT  H N N 267 
LEU   N    N N N 268 
LEU   CA   C N S 269 
LEU   C    C N N 270 
LEU   O    O N N 271 
LEU   CB   C N N 272 
LEU   CG   C N N 273 
LEU   CD1  C N N 274 
LEU   CD2  C N N 275 
LEU   OXT  O N N 276 
LEU   H    H N N 277 
LEU   H2   H N N 278 
LEU   HA   H N N 279 
LEU   HB2  H N N 280 
LEU   HB3  H N N 281 
LEU   HG   H N N 282 
LEU   HD11 H N N 283 
LEU   HD12 H N N 284 
LEU   HD13 H N N 285 
LEU   HD21 H N N 286 
LEU   HD22 H N N 287 
LEU   HD23 H N N 288 
LEU   HXT  H N N 289 
LYS   N    N N N 290 
LYS   CA   C N S 291 
LYS   C    C N N 292 
LYS   O    O N N 293 
LYS   CB   C N N 294 
LYS   CG   C N N 295 
LYS   CD   C N N 296 
LYS   CE   C N N 297 
LYS   NZ   N N N 298 
LYS   OXT  O N N 299 
LYS   H    H N N 300 
LYS   H2   H N N 301 
LYS   HA   H N N 302 
LYS   HB2  H N N 303 
LYS   HB3  H N N 304 
LYS   HG2  H N N 305 
LYS   HG3  H N N 306 
LYS   HD2  H N N 307 
LYS   HD3  H N N 308 
LYS   HE2  H N N 309 
LYS   HE3  H N N 310 
LYS   HZ1  H N N 311 
LYS   HZ2  H N N 312 
LYS   HZ3  H N N 313 
LYS   HXT  H N N 314 
MET   N    N N N 315 
MET   CA   C N S 316 
MET   C    C N N 317 
MET   O    O N N 318 
MET   CB   C N N 319 
MET   CG   C N N 320 
MET   SD   S N N 321 
MET   CE   C N N 322 
MET   OXT  O N N 323 
MET   H    H N N 324 
MET   H2   H N N 325 
MET   HA   H N N 326 
MET   HB2  H N N 327 
MET   HB3  H N N 328 
MET   HG2  H N N 329 
MET   HG3  H N N 330 
MET   HE1  H N N 331 
MET   HE2  H N N 332 
MET   HE3  H N N 333 
MET   HXT  H N N 334 
PHE   N    N N N 335 
PHE   CA   C N S 336 
PHE   C    C N N 337 
PHE   O    O N N 338 
PHE   CB   C N N 339 
PHE   CG   C Y N 340 
PHE   CD1  C Y N 341 
PHE   CD2  C Y N 342 
PHE   CE1  C Y N 343 
PHE   CE2  C Y N 344 
PHE   CZ   C Y N 345 
PHE   OXT  O N N 346 
PHE   H    H N N 347 
PHE   H2   H N N 348 
PHE   HA   H N N 349 
PHE   HB2  H N N 350 
PHE   HB3  H N N 351 
PHE   HD1  H N N 352 
PHE   HD2  H N N 353 
PHE   HE1  H N N 354 
PHE   HE2  H N N 355 
PHE   HZ   H N N 356 
PHE   HXT  H N N 357 
PRO   N    N N N 358 
PRO   CA   C N S 359 
PRO   C    C N N 360 
PRO   O    O N N 361 
PRO   CB   C N N 362 
PRO   CG   C N N 363 
PRO   CD   C N N 364 
PRO   OXT  O N N 365 
PRO   H    H N N 366 
PRO   HA   H N N 367 
PRO   HB2  H N N 368 
PRO   HB3  H N N 369 
PRO   HG2  H N N 370 
PRO   HG3  H N N 371 
PRO   HD2  H N N 372 
PRO   HD3  H N N 373 
PRO   HXT  H N N 374 
SER   N    N N N 375 
SER   CA   C N S 376 
SER   C    C N N 377 
SER   O    O N N 378 
SER   CB   C N N 379 
SER   OG   O N N 380 
SER   OXT  O N N 381 
SER   H    H N N 382 
SER   H2   H N N 383 
SER   HA   H N N 384 
SER   HB2  H N N 385 
SER   HB3  H N N 386 
SER   HG   H N N 387 
SER   HXT  H N N 388 
THR   N    N N N 389 
THR   CA   C N S 390 
THR   C    C N N 391 
THR   O    O N N 392 
THR   CB   C N R 393 
THR   OG1  O N N 394 
THR   CG2  C N N 395 
THR   OXT  O N N 396 
THR   H    H N N 397 
THR   H2   H N N 398 
THR   HA   H N N 399 
THR   HB   H N N 400 
THR   HG1  H N N 401 
THR   HG21 H N N 402 
THR   HG22 H N N 403 
THR   HG23 H N N 404 
THR   HXT  H N N 405 
TRP   N    N N N 406 
TRP   CA   C N S 407 
TRP   C    C N N 408 
TRP   O    O N N 409 
TRP   CB   C N N 410 
TRP   CG   C Y N 411 
TRP   CD1  C Y N 412 
TRP   CD2  C Y N 413 
TRP   NE1  N Y N 414 
TRP   CE2  C Y N 415 
TRP   CE3  C Y N 416 
TRP   CZ2  C Y N 417 
TRP   CZ3  C Y N 418 
TRP   CH2  C Y N 419 
TRP   OXT  O N N 420 
TRP   H    H N N 421 
TRP   H2   H N N 422 
TRP   HA   H N N 423 
TRP   HB2  H N N 424 
TRP   HB3  H N N 425 
TRP   HD1  H N N 426 
TRP   HE1  H N N 427 
TRP   HE3  H N N 428 
TRP   HZ2  H N N 429 
TRP   HZ3  H N N 430 
TRP   HH2  H N N 431 
TRP   HXT  H N N 432 
TYR   N    N N N 433 
TYR   CA   C N S 434 
TYR   C    C N N 435 
TYR   O    O N N 436 
TYR   CB   C N N 437 
TYR   CG   C Y N 438 
TYR   CD1  C Y N 439 
TYR   CD2  C Y N 440 
TYR   CE1  C Y N 441 
TYR   CE2  C Y N 442 
TYR   CZ   C Y N 443 
TYR   OH   O N N 444 
TYR   OXT  O N N 445 
TYR   H    H N N 446 
TYR   H2   H N N 447 
TYR   HA   H N N 448 
TYR   HB2  H N N 449 
TYR   HB3  H N N 450 
TYR   HD1  H N N 451 
TYR   HD2  H N N 452 
TYR   HE1  H N N 453 
TYR   HE2  H N N 454 
TYR   HH   H N N 455 
TYR   HXT  H N N 456 
VAL   N    N N N 457 
VAL   CA   C N S 458 
VAL   C    C N N 459 
VAL   O    O N N 460 
VAL   CB   C N N 461 
VAL   CG1  C N N 462 
VAL   CG2  C N N 463 
VAL   OXT  O N N 464 
VAL   H    H N N 465 
VAL   H2   H N N 466 
VAL   HA   H N N 467 
VAL   HB   H N N 468 
VAL   HG11 H N N 469 
VAL   HG12 H N N 470 
VAL   HG13 H N N 471 
VAL   HG21 H N N 472 
VAL   HG22 H N N 473 
VAL   HG23 H N N 474 
VAL   HXT  H N N 475 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1INV C28 C27  sing N N 1   
A1INV C28 C29  sing N N 2   
A1INV C20 C21  sing N N 3   
A1INV C20 C19  sing N N 4   
A1INV C27 C26  sing N N 5   
A1INV C21 C22  sing N N 6   
A1INV C29 C30  sing N N 7   
A1INV C22 C23  sing N N 8   
A1INV C19 N4   sing N N 9   
A1INV C19 C18  sing N N 10  
A1INV N4  C24  sing N N 11  
A1INV N4  C23  sing N N 12  
A1INV O6  C24  doub N N 13  
A1INV C24 C25  sing N N 14  
A1INV C26 C25  sing N N 15  
A1INV C26 C31  sing N N 16  
A1INV O5  C18  doub N N 17  
A1INV C30 C31  sing N N 18  
A1INV C18 O4   sing N N 19  
A1INV C25 C4   sing N N 20  
A1INV O4  C17  sing N N 21  
A1INV C4  C5   doub Y N 22  
A1INV C4  C3   sing Y N 23  
A1INV C5  C6   sing Y N 24  
A1INV C3  C2   doub Y N 25  
A1INV C15 C16  sing N N 26  
A1INV C15 C14  sing N N 27  
A1INV C17 C16  sing N N 28  
A1INV C13 C14  doub Y N 29  
A1INV C13 N1   sing Y N 30  
A1INV C14 N2   sing Y N 31  
A1INV C11 C12  sing N N 32  
A1INV C11 C9   sing N N 33  
A1INV C6  O3   sing N N 34  
A1INV C6  C7   doub Y N 35  
A1INV N1  C12  sing N N 36  
A1INV N1  N3   sing Y N 37  
A1INV C2  C7   sing Y N 38  
A1INV C2  O1   sing N N 39  
A1INV C1  O1   sing N N 40  
A1INV O3  C9   sing N N 41  
A1INV C7  O2   sing N N 42  
A1INV N2  N3   doub Y N 43  
A1INV C9  C10  sing N N 44  
A1INV O2  C8   sing N N 45  
A1INV C5  H5   sing N N 46  
A1INV C11 H14  sing N N 47  
A1INV C11 H13  sing N N 48  
A1INV C8  H7   sing N N 49  
A1INV C8  H8   sing N N 50  
A1INV C8  H6   sing N N 51  
A1INV C9  H9   sing N N 52  
A1INV C10 H12  sing N N 53  
A1INV C10 H10  sing N N 54  
A1INV C10 H11  sing N N 55  
A1INV C12 H15  sing N N 56  
A1INV C12 H16  sing N N 57  
A1INV C13 H17  sing N N 58  
A1INV C3  H4   sing N N 59  
A1INV C1  H2   sing N N 60  
A1INV C1  H3   sing N N 61  
A1INV C1  H1   sing N N 62  
A1INV C15 H19  sing N N 63  
A1INV C15 H18  sing N N 64  
A1INV C16 H20  sing N N 65  
A1INV C16 H21  sing N N 66  
A1INV C17 H23  sing N N 67  
A1INV C17 H22  sing N N 68  
A1INV C19 H24  sing N N 69  
A1INV C20 H26  sing N N 70  
A1INV C20 H25  sing N N 71  
A1INV C21 H27  sing N N 72  
A1INV C21 H28  sing N N 73  
A1INV C22 H29  sing N N 74  
A1INV C22 H30  sing N N 75  
A1INV C23 H31  sing N N 76  
A1INV C23 H32  sing N N 77  
A1INV C25 H33  sing N N 78  
A1INV C26 H34  sing N N 79  
A1INV C27 H36  sing N N 80  
A1INV C27 H35  sing N N 81  
A1INV C28 H37  sing N N 82  
A1INV C28 H38  sing N N 83  
A1INV C29 H39  sing N N 84  
A1INV C29 H40  sing N N 85  
A1INV C30 H41  sing N N 86  
A1INV C30 H42  sing N N 87  
A1INV C31 H44  sing N N 88  
A1INV C31 H43  sing N N 89  
ALA   N   CA   sing N N 90  
ALA   N   H    sing N N 91  
ALA   N   H2   sing N N 92  
ALA   CA  C    sing N N 93  
ALA   CA  CB   sing N N 94  
ALA   CA  HA   sing N N 95  
ALA   C   O    doub N N 96  
ALA   C   OXT  sing N N 97  
ALA   CB  HB1  sing N N 98  
ALA   CB  HB2  sing N N 99  
ALA   CB  HB3  sing N N 100 
ALA   OXT HXT  sing N N 101 
ARG   N   CA   sing N N 102 
ARG   N   H    sing N N 103 
ARG   N   H2   sing N N 104 
ARG   CA  C    sing N N 105 
ARG   CA  CB   sing N N 106 
ARG   CA  HA   sing N N 107 
ARG   C   O    doub N N 108 
ARG   C   OXT  sing N N 109 
ARG   CB  CG   sing N N 110 
ARG   CB  HB2  sing N N 111 
ARG   CB  HB3  sing N N 112 
ARG   CG  CD   sing N N 113 
ARG   CG  HG2  sing N N 114 
ARG   CG  HG3  sing N N 115 
ARG   CD  NE   sing N N 116 
ARG   CD  HD2  sing N N 117 
ARG   CD  HD3  sing N N 118 
ARG   NE  CZ   sing N N 119 
ARG   NE  HE   sing N N 120 
ARG   CZ  NH1  sing N N 121 
ARG   CZ  NH2  doub N N 122 
ARG   NH1 HH11 sing N N 123 
ARG   NH1 HH12 sing N N 124 
ARG   NH2 HH21 sing N N 125 
ARG   NH2 HH22 sing N N 126 
ARG   OXT HXT  sing N N 127 
ASN   N   CA   sing N N 128 
ASN   N   H    sing N N 129 
ASN   N   H2   sing N N 130 
ASN   CA  C    sing N N 131 
ASN   CA  CB   sing N N 132 
ASN   CA  HA   sing N N 133 
ASN   C   O    doub N N 134 
ASN   C   OXT  sing N N 135 
ASN   CB  CG   sing N N 136 
ASN   CB  HB2  sing N N 137 
ASN   CB  HB3  sing N N 138 
ASN   CG  OD1  doub N N 139 
ASN   CG  ND2  sing N N 140 
ASN   ND2 HD21 sing N N 141 
ASN   ND2 HD22 sing N N 142 
ASN   OXT HXT  sing N N 143 
ASP   N   CA   sing N N 144 
ASP   N   H    sing N N 145 
ASP   N   H2   sing N N 146 
ASP   CA  C    sing N N 147 
ASP   CA  CB   sing N N 148 
ASP   CA  HA   sing N N 149 
ASP   C   O    doub N N 150 
ASP   C   OXT  sing N N 151 
ASP   CB  CG   sing N N 152 
ASP   CB  HB2  sing N N 153 
ASP   CB  HB3  sing N N 154 
ASP   CG  OD1  doub N N 155 
ASP   CG  OD2  sing N N 156 
ASP   OD2 HD2  sing N N 157 
ASP   OXT HXT  sing N N 158 
CYS   N   CA   sing N N 159 
CYS   N   H    sing N N 160 
CYS   N   H2   sing N N 161 
CYS   CA  C    sing N N 162 
CYS   CA  CB   sing N N 163 
CYS   CA  HA   sing N N 164 
CYS   C   O    doub N N 165 
CYS   C   OXT  sing N N 166 
CYS   CB  SG   sing N N 167 
CYS   CB  HB2  sing N N 168 
CYS   CB  HB3  sing N N 169 
CYS   SG  HG   sing N N 170 
CYS   OXT HXT  sing N N 171 
GLN   N   CA   sing N N 172 
GLN   N   H    sing N N 173 
GLN   N   H2   sing N N 174 
GLN   CA  C    sing N N 175 
GLN   CA  CB   sing N N 176 
GLN   CA  HA   sing N N 177 
GLN   C   O    doub N N 178 
GLN   C   OXT  sing N N 179 
GLN   CB  CG   sing N N 180 
GLN   CB  HB2  sing N N 181 
GLN   CB  HB3  sing N N 182 
GLN   CG  CD   sing N N 183 
GLN   CG  HG2  sing N N 184 
GLN   CG  HG3  sing N N 185 
GLN   CD  OE1  doub N N 186 
GLN   CD  NE2  sing N N 187 
GLN   NE2 HE21 sing N N 188 
GLN   NE2 HE22 sing N N 189 
GLN   OXT HXT  sing N N 190 
GLU   N   CA   sing N N 191 
GLU   N   H    sing N N 192 
GLU   N   H2   sing N N 193 
GLU   CA  C    sing N N 194 
GLU   CA  CB   sing N N 195 
GLU   CA  HA   sing N N 196 
GLU   C   O    doub N N 197 
GLU   C   OXT  sing N N 198 
GLU   CB  CG   sing N N 199 
GLU   CB  HB2  sing N N 200 
GLU   CB  HB3  sing N N 201 
GLU   CG  CD   sing N N 202 
GLU   CG  HG2  sing N N 203 
GLU   CG  HG3  sing N N 204 
GLU   CD  OE1  doub N N 205 
GLU   CD  OE2  sing N N 206 
GLU   OE2 HE2  sing N N 207 
GLU   OXT HXT  sing N N 208 
GLY   N   CA   sing N N 209 
GLY   N   H    sing N N 210 
GLY   N   H2   sing N N 211 
GLY   CA  C    sing N N 212 
GLY   CA  HA2  sing N N 213 
GLY   CA  HA3  sing N N 214 
GLY   C   O    doub N N 215 
GLY   C   OXT  sing N N 216 
GLY   OXT HXT  sing N N 217 
HIS   N   CA   sing N N 218 
HIS   N   H    sing N N 219 
HIS   N   H2   sing N N 220 
HIS   CA  C    sing N N 221 
HIS   CA  CB   sing N N 222 
HIS   CA  HA   sing N N 223 
HIS   C   O    doub N N 224 
HIS   C   OXT  sing N N 225 
HIS   CB  CG   sing N N 226 
HIS   CB  HB2  sing N N 227 
HIS   CB  HB3  sing N N 228 
HIS   CG  ND1  sing Y N 229 
HIS   CG  CD2  doub Y N 230 
HIS   ND1 CE1  doub Y N 231 
HIS   ND1 HD1  sing N N 232 
HIS   CD2 NE2  sing Y N 233 
HIS   CD2 HD2  sing N N 234 
HIS   CE1 NE2  sing Y N 235 
HIS   CE1 HE1  sing N N 236 
HIS   NE2 HE2  sing N N 237 
HIS   OXT HXT  sing N N 238 
HOH   O   H1   sing N N 239 
HOH   O   H2   sing N N 240 
ILE   N   CA   sing N N 241 
ILE   N   H    sing N N 242 
ILE   N   H2   sing N N 243 
ILE   CA  C    sing N N 244 
ILE   CA  CB   sing N N 245 
ILE   CA  HA   sing N N 246 
ILE   C   O    doub N N 247 
ILE   C   OXT  sing N N 248 
ILE   CB  CG1  sing N N 249 
ILE   CB  CG2  sing N N 250 
ILE   CB  HB   sing N N 251 
ILE   CG1 CD1  sing N N 252 
ILE   CG1 HG12 sing N N 253 
ILE   CG1 HG13 sing N N 254 
ILE   CG2 HG21 sing N N 255 
ILE   CG2 HG22 sing N N 256 
ILE   CG2 HG23 sing N N 257 
ILE   CD1 HD11 sing N N 258 
ILE   CD1 HD12 sing N N 259 
ILE   CD1 HD13 sing N N 260 
ILE   OXT HXT  sing N N 261 
LEU   N   CA   sing N N 262 
LEU   N   H    sing N N 263 
LEU   N   H2   sing N N 264 
LEU   CA  C    sing N N 265 
LEU   CA  CB   sing N N 266 
LEU   CA  HA   sing N N 267 
LEU   C   O    doub N N 268 
LEU   C   OXT  sing N N 269 
LEU   CB  CG   sing N N 270 
LEU   CB  HB2  sing N N 271 
LEU   CB  HB3  sing N N 272 
LEU   CG  CD1  sing N N 273 
LEU   CG  CD2  sing N N 274 
LEU   CG  HG   sing N N 275 
LEU   CD1 HD11 sing N N 276 
LEU   CD1 HD12 sing N N 277 
LEU   CD1 HD13 sing N N 278 
LEU   CD2 HD21 sing N N 279 
LEU   CD2 HD22 sing N N 280 
LEU   CD2 HD23 sing N N 281 
LEU   OXT HXT  sing N N 282 
LYS   N   CA   sing N N 283 
LYS   N   H    sing N N 284 
LYS   N   H2   sing N N 285 
LYS   CA  C    sing N N 286 
LYS   CA  CB   sing N N 287 
LYS   CA  HA   sing N N 288 
LYS   C   O    doub N N 289 
LYS   C   OXT  sing N N 290 
LYS   CB  CG   sing N N 291 
LYS   CB  HB2  sing N N 292 
LYS   CB  HB3  sing N N 293 
LYS   CG  CD   sing N N 294 
LYS   CG  HG2  sing N N 295 
LYS   CG  HG3  sing N N 296 
LYS   CD  CE   sing N N 297 
LYS   CD  HD2  sing N N 298 
LYS   CD  HD3  sing N N 299 
LYS   CE  NZ   sing N N 300 
LYS   CE  HE2  sing N N 301 
LYS   CE  HE3  sing N N 302 
LYS   NZ  HZ1  sing N N 303 
LYS   NZ  HZ2  sing N N 304 
LYS   NZ  HZ3  sing N N 305 
LYS   OXT HXT  sing N N 306 
MET   N   CA   sing N N 307 
MET   N   H    sing N N 308 
MET   N   H2   sing N N 309 
MET   CA  C    sing N N 310 
MET   CA  CB   sing N N 311 
MET   CA  HA   sing N N 312 
MET   C   O    doub N N 313 
MET   C   OXT  sing N N 314 
MET   CB  CG   sing N N 315 
MET   CB  HB2  sing N N 316 
MET   CB  HB3  sing N N 317 
MET   CG  SD   sing N N 318 
MET   CG  HG2  sing N N 319 
MET   CG  HG3  sing N N 320 
MET   SD  CE   sing N N 321 
MET   CE  HE1  sing N N 322 
MET   CE  HE2  sing N N 323 
MET   CE  HE3  sing N N 324 
MET   OXT HXT  sing N N 325 
PHE   N   CA   sing N N 326 
PHE   N   H    sing N N 327 
PHE   N   H2   sing N N 328 
PHE   CA  C    sing N N 329 
PHE   CA  CB   sing N N 330 
PHE   CA  HA   sing N N 331 
PHE   C   O    doub N N 332 
PHE   C   OXT  sing N N 333 
PHE   CB  CG   sing N N 334 
PHE   CB  HB2  sing N N 335 
PHE   CB  HB3  sing N N 336 
PHE   CG  CD1  doub Y N 337 
PHE   CG  CD2  sing Y N 338 
PHE   CD1 CE1  sing Y N 339 
PHE   CD1 HD1  sing N N 340 
PHE   CD2 CE2  doub Y N 341 
PHE   CD2 HD2  sing N N 342 
PHE   CE1 CZ   doub Y N 343 
PHE   CE1 HE1  sing N N 344 
PHE   CE2 CZ   sing Y N 345 
PHE   CE2 HE2  sing N N 346 
PHE   CZ  HZ   sing N N 347 
PHE   OXT HXT  sing N N 348 
PRO   N   CA   sing N N 349 
PRO   N   CD   sing N N 350 
PRO   N   H    sing N N 351 
PRO   CA  C    sing N N 352 
PRO   CA  CB   sing N N 353 
PRO   CA  HA   sing N N 354 
PRO   C   O    doub N N 355 
PRO   C   OXT  sing N N 356 
PRO   CB  CG   sing N N 357 
PRO   CB  HB2  sing N N 358 
PRO   CB  HB3  sing N N 359 
PRO   CG  CD   sing N N 360 
PRO   CG  HG2  sing N N 361 
PRO   CG  HG3  sing N N 362 
PRO   CD  HD2  sing N N 363 
PRO   CD  HD3  sing N N 364 
PRO   OXT HXT  sing N N 365 
SER   N   CA   sing N N 366 
SER   N   H    sing N N 367 
SER   N   H2   sing N N 368 
SER   CA  C    sing N N 369 
SER   CA  CB   sing N N 370 
SER   CA  HA   sing N N 371 
SER   C   O    doub N N 372 
SER   C   OXT  sing N N 373 
SER   CB  OG   sing N N 374 
SER   CB  HB2  sing N N 375 
SER   CB  HB3  sing N N 376 
SER   OG  HG   sing N N 377 
SER   OXT HXT  sing N N 378 
THR   N   CA   sing N N 379 
THR   N   H    sing N N 380 
THR   N   H2   sing N N 381 
THR   CA  C    sing N N 382 
THR   CA  CB   sing N N 383 
THR   CA  HA   sing N N 384 
THR   C   O    doub N N 385 
THR   C   OXT  sing N N 386 
THR   CB  OG1  sing N N 387 
THR   CB  CG2  sing N N 388 
THR   CB  HB   sing N N 389 
THR   OG1 HG1  sing N N 390 
THR   CG2 HG21 sing N N 391 
THR   CG2 HG22 sing N N 392 
THR   CG2 HG23 sing N N 393 
THR   OXT HXT  sing N N 394 
TRP   N   CA   sing N N 395 
TRP   N   H    sing N N 396 
TRP   N   H2   sing N N 397 
TRP   CA  C    sing N N 398 
TRP   CA  CB   sing N N 399 
TRP   CA  HA   sing N N 400 
TRP   C   O    doub N N 401 
TRP   C   OXT  sing N N 402 
TRP   CB  CG   sing N N 403 
TRP   CB  HB2  sing N N 404 
TRP   CB  HB3  sing N N 405 
TRP   CG  CD1  doub Y N 406 
TRP   CG  CD2  sing Y N 407 
TRP   CD1 NE1  sing Y N 408 
TRP   CD1 HD1  sing N N 409 
TRP   CD2 CE2  doub Y N 410 
TRP   CD2 CE3  sing Y N 411 
TRP   NE1 CE2  sing Y N 412 
TRP   NE1 HE1  sing N N 413 
TRP   CE2 CZ2  sing Y N 414 
TRP   CE3 CZ3  doub Y N 415 
TRP   CE3 HE3  sing N N 416 
TRP   CZ2 CH2  doub Y N 417 
TRP   CZ2 HZ2  sing N N 418 
TRP   CZ3 CH2  sing Y N 419 
TRP   CZ3 HZ3  sing N N 420 
TRP   CH2 HH2  sing N N 421 
TRP   OXT HXT  sing N N 422 
TYR   N   CA   sing N N 423 
TYR   N   H    sing N N 424 
TYR   N   H2   sing N N 425 
TYR   CA  C    sing N N 426 
TYR   CA  CB   sing N N 427 
TYR   CA  HA   sing N N 428 
TYR   C   O    doub N N 429 
TYR   C   OXT  sing N N 430 
TYR   CB  CG   sing N N 431 
TYR   CB  HB2  sing N N 432 
TYR   CB  HB3  sing N N 433 
TYR   CG  CD1  doub Y N 434 
TYR   CG  CD2  sing Y N 435 
TYR   CD1 CE1  sing Y N 436 
TYR   CD1 HD1  sing N N 437 
TYR   CD2 CE2  doub Y N 438 
TYR   CD2 HD2  sing N N 439 
TYR   CE1 CZ   doub Y N 440 
TYR   CE1 HE1  sing N N 441 
TYR   CE2 CZ   sing Y N 442 
TYR   CE2 HE2  sing N N 443 
TYR   CZ  OH   sing N N 444 
TYR   OH  HH   sing N N 445 
TYR   OXT HXT  sing N N 446 
VAL   N   CA   sing N N 447 
VAL   N   H    sing N N 448 
VAL   N   H2   sing N N 449 
VAL   CA  C    sing N N 450 
VAL   CA  CB   sing N N 451 
VAL   CA  HA   sing N N 452 
VAL   C   O    doub N N 453 
VAL   C   OXT  sing N N 454 
VAL   CB  CG1  sing N N 455 
VAL   CB  CG2  sing N N 456 
VAL   CB  HB   sing N N 457 
VAL   CG1 HG11 sing N N 458 
VAL   CG1 HG12 sing N N 459 
VAL   CG1 HG13 sing N N 460 
VAL   CG2 HG21 sing N N 461 
VAL   CG2 HG22 sing N N 462 
VAL   CG2 HG23 sing N N 463 
VAL   OXT HXT  sing N N 464 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'German Federal Ministry for Education and Research' Germany 03VP08671 1 
'German Research Foundation (DFG)'                   Germany 525512762 2 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   4TW7 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9GPS 
_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]   0.020419 
_atom_sites.fract_transf_matrix[1][2]   0.011789 
_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]   0.023578 
_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]   0.005096 
_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   ? -15.195 -14.165 -6.415  1 56.218  ? 13  GLY   A N    1 ? 1 
ATOM   2    C CA   . GLY   A 1 1   ? -16.218 -13.612 -5.527  1 55      ? 13  GLY   A CA   1 ? 1 
ATOM   3    C C    . GLY   A 1 1   ? -16.31  -12.1   -5.706  1 54.057  ? 13  GLY   A C    1 ? 1 
ATOM   4    O O    . GLY   A 1 1   ? -15.545 -11.488 -6.462  1 56.442  ? 13  GLY   A O    1 ? 1 
ATOM   5    H H1   . GLY   A 1 1   ? -15.159 -15.064 -6.323  1 57.942  ? 13  GLY   A H1   1 c 1 
ATOM   6    H H2   . GLY   A 1 1   ? -14.385 -13.817 -6.21   1 55.278  ? 13  GLY   A H2   1 c 1 
ATOM   7    H H3   . GLY   A 1 1   ? -15.39  -13.966 -7.277  1 57.827  ? 13  GLY   A H3   1 c 1 
ATOM   8    H HA2  . GLY   A 1 1   ? -17.085 -14.02  -5.737  1 56.598  ? 13  GLY   A HA2  1 c 1 
ATOM   9    H HA3  . GLY   A 1 1   ? -15.993 -13.827 -4.592  1 53.865  ? 13  GLY   A HA3  1 c 1 
ATOM   10   N N    . ALA   A 1 2   ? -17.233 -11.494 -4.971  1 51.516  ? 14  ALA   A N    1 ? 1 
ATOM   11   C CA   . ALA   A 1 2   ? -17.388 -10.056 -5.04   1 51.16   ? 14  ALA   A CA   1 ? 1 
ATOM   12   C C    . ALA   A 1 2   ? -16.071 -9.341  -4.704  1 49.131  ? 14  ALA   A C    1 ? 1 
ATOM   13   O O    . ALA   A 1 2   ? -15.716 -8.354  -5.351  1 52.584  ? 14  ALA   A O    1 ? 1 
ATOM   14   C CB   . ALA   A 1 2   ? -18.514 -9.613  -4.133  1 52.078  ? 14  ALA   A CB   1 ? 1 
ATOM   15   H H    . ALA   A 1 2   ? -17.776 -11.98  -4.418  1 52.29   ? 14  ALA   A H    1 c 1 
ATOM   16   H HA   . ALA   A 1 2   ? -17.628 -9.822  -5.979  1 52.611  ? 14  ALA   A HA   1 c 1 
ATOM   17   H HB1  . ALA   A 1 2   ? -19.345 -10.027 -4.419  1 53.006  ? 14  ALA   A HB1  1 c 1 
ATOM   18   H HB2  . ALA   A 1 2   ? -18.324 -9.876  -3.218  1 50.33   ? 14  ALA   A HB2  1 c 1 
ATOM   19   H HB3  . ALA   A 1 2   ? -18.607 -8.646  -4.175  1 50.269  ? 14  ALA   A HB3  1 c 1 
ATOM   20   N N    . PRO   A 1 3   ? -15.3   -9.751  -3.676  1 43.413  ? 15  PRO   A N    1 ? 1 
ATOM   21   C CA   . PRO   A 1 3   ? -14.056 -9.074  -3.352  1 44.613  ? 15  PRO   A CA   1 ? 1 
ATOM   22   C C    . PRO   A 1 3   ? -13.002 -9.097  -4.458  1 48.813  ? 15  PRO   A C    1 ? 1 
ATOM   23   O O    . PRO   A 1 3   ? -12.348 -8.079  -4.719  1 47.869  ? 15  PRO   A O    1 ? 1 
ATOM   24   C CB   . PRO   A 1 3   ? -13.648 -9.735  -2.043  1 44.621  ? 15  PRO   A CB   1 ? 1 
ATOM   25   C CG   . PRO   A 1 3   ? -14.959 -10.23  -1.463  1 47.452  ? 15  PRO   A CG   1 ? 1 
ATOM   26   C CD   . PRO   A 1 3   ? -15.658 -10.748 -2.662  1 48.438  ? 15  PRO   A CD   1 ? 1 
ATOM   27   H HA   . PRO   A 1 3   ? -14.263 -8.137  -3.153  1 43.392  ? 15  PRO   A HA   1 c 1 
ATOM   28   H HB2  . PRO   A 1 3   ? -13.034 -10.478 -2.203  1 46.091  ? 15  PRO   A HB2  1 c 1 
ATOM   29   H HB3  . PRO   A 1 3   ? -13.221 -9.091  -1.444  1 43.486  ? 15  PRO   A HB3  1 c 1 
ATOM   30   H HG2  . PRO   A 1 3   ? -14.813 -10.94  -0.806  1 46.692  ? 15  PRO   A HG2  1 c 1 
ATOM   31   H HG3  . PRO   A 1 3   ? -15.463 -9.502  -1.048  1 45.192  ? 15  PRO   A HG3  1 c 1 
ATOM   32   H HD2  . PRO   A 1 3   ? -15.335 -11.632 -2.912  1 49.064  ? 15  PRO   A HD2  1 c 1 
ATOM   33   H HD3  . PRO   A 1 3   ? -16.62  -10.781 -2.523  1 47.809  ? 15  PRO   A HD3  1 c 1 
ATOM   34   N N    . ALA   A 1 4   ? -12.879 -10.231 -5.151  1 50.952  ? 16  ALA   A N    1 ? 1 
ATOM   35   C CA   . ALA   A 1 4   ? -11.937 -10.362 -6.254  1 50.363  ? 16  ALA   A CA   1 ? 1 
ATOM   36   C C    . ALA   A 1 4   ? -12.379 -9.473  -7.413  1 52.304  ? 16  ALA   A C    1 ? 1 
ATOM   37   O O    . ALA   A 1 4   ? -11.544 -8.851  -8.058  1 54.795  ? 16  ALA   A O    1 ? 1 
ATOM   38   C CB   . ALA   A 1 4   ? -11.811 -11.816 -6.676  1 55.159  ? 16  ALA   A CB   1 ? 1 
ATOM   39   H H    . ALA   A 1 4   ? -13.396 -10.951 -4.927  1 50.991  ? 16  ALA   A H    1 c 1 
ATOM   40   H HA   . ALA   A 1 4   ? -11.047 -10.04  -5.941  1 50.633  ? 16  ALA   A HA   1 c 1 
ATOM   41   H HB1  . ALA   A 1 4   ? -11.478 -12.345 -5.932  1 54.047  ? 16  ALA   A HB1  1 c 1 
ATOM   42   H HB2  . ALA   A 1 4   ? -12.681 -12.154 -6.947  1 55.51   ? 16  ALA   A HB2  1 c 1 
ATOM   43   H HB3  . ALA   A 1 4   ? -11.193 -11.887 -7.423  1 56.159  ? 16  ALA   A HB3  1 c 1 
ATOM   44   N N    . THR   A 1 5   ? -13.689 -9.358  -7.654  1 51.209  ? 17  THR   A N    1 ? 1 
ATOM   45   C CA   . THR   A 1 5   ? -14.147 -8.518  -8.742  1 55.257  ? 17  THR   A CA   1 ? 1 
ATOM   46   C C    . THR   A 1 5   ? -13.756 -7.054  -8.444  1 50.617  ? 17  THR   A C    1 ? 1 
ATOM   47   O O    . THR   A 1 5   ? -13.391 -6.294  -9.335  1 57.424  ? 17  THR   A O    1 ? 1 
ATOM   48   C CB   . THR   A 1 5   ? -15.651 -8.718  -8.962  1 57.677  ? 17  THR   A CB   1 ? 1 
ATOM   49   O OG1  . THR   A 1 5   ? -15.831 -10.074 -9.385  1 62.851  ? 17  THR   A OG1  1 ? 1 
ATOM   50   C CG2  . THR   A 1 5   ? -16.221 -7.778  -10.02  1 57.204  ? 17  THR   A CG2  1 ? 1 
ATOM   51   H H    . THR   A 1 5   ? -14.3   -9.808  -7.144  1 51.878  ? 17  THR   A H    1 c 1 
ATOM   52   H HA   . THR   A 1 5   ? -13.681 -8.801  -9.56   1 56.517  ? 17  THR   A HA   1 c 1 
ATOM   53   H HB   . THR   A 1 5   ? -16.131 -8.576  -8.111  1 55.793  ? 17  THR   A HB   1 c 1 
ATOM   54   H HG1  . THR   A 1 5   ? -15.5   -10.197 -10.065 0 30      ? 17  THR   A HG1  1 c 1 
ATOM   55   H HG21 . THR   A 1 5   ? -17.146 -8.017  -10.2   1 58.769  ? 17  THR   A HG21 1 c 1 
ATOM   56   H HG22 . THR   A 1 5   ? -15.702 -7.856  -10.838 1 59.494  ? 17  THR   A HG22 1 c 1 
ATOM   57   H HG23 . THR   A 1 5   ? -16.182 -6.862  -9.698  1 55.963  ? 17  THR   A HG23 1 c 1 
ATOM   58   N N    . VAL   A 1 6   ? -13.811 -6.646  -7.194  1 46.215  ? 18  VAL   A N    1 ? 1 
ATOM   59   C CA   . VAL   A 1 6   ? -13.464 -5.293  -6.819  1 45.367  ? 18  VAL   A CA   1 ? 1 
ATOM   60   C C    . VAL   A 1 6   ? -11.961 -5.081  -6.951  1 46.096  ? 18  VAL   A C    1 ? 1 
ATOM   61   O O    . VAL   A 1 6   ? -11.552 -4.056  -7.475  1 49.729  ? 18  VAL   A O    1 ? 1 
ATOM   62   C CB   . VAL   A 1 6   ? -13.941 -4.907  -5.41   1 42.45   ? 18  VAL   A CB   1 ? 1 
ATOM   63   C CG1  . VAL   A 1 6   ? -13.471 -3.494  -5.042  1 40.241  ? 18  VAL   A CG1  1 ? 1 
ATOM   64   C CG2  . VAL   A 1 6   ? -15.469 -5.047  -5.307  1 41.25   ? 18  VAL   A CG2  1 ? 1 
ATOM   65   H H    . VAL   A 1 6   ? -14.075 -7.229  -6.542  1 46.279  ? 18  VAL   A H    1 c 1 
ATOM   66   H HA   . VAL   A 1 6   ? -13.904 -4.692  -7.45   1 45.933  ? 18  VAL   A HA   1 c 1 
ATOM   67   H HB   . VAL   A 1 6   ? -13.53  -5.542  -4.778  1 41.661  ? 18  VAL   A HB   1 c 1 
ATOM   68   H HG11 . VAL   A 1 6   ? -13.649 -2.889  -5.782  1 41.206  ? 18  VAL   A HG11 1 c 1 
ATOM   69   H HG12 . VAL   A 1 6   ? -12.517 -3.505  -4.855  1 40.258  ? 18  VAL   A HG12 1 c 1 
ATOM   70   H HG13 . VAL   A 1 6   ? -13.95  -3.188  -4.253  1 39.053  ? 18  VAL   A HG13 1 c 1 
ATOM   71   H HG21 . VAL   A 1 6   ? -15.752 -4.847  -4.399  1 40.169  ? 18  VAL   A HG21 1 c 1 
ATOM   72   H HG22 . VAL   A 1 6   ? -15.731 -5.953  -5.533  1 42.9    ? 18  VAL   A HG22 1 c 1 
ATOM   73   H HG23 . VAL   A 1 6   ? -15.894 -4.426  -5.922  1 42.221  ? 18  VAL   A HG23 1 c 1 
ATOM   74   N N    . THR   A 1 7   ? -11.147 -6.022  -6.487  1 47.112  ? 19  THR   A N    1 ? 1 
ATOM   75   C CA   . THR   A 1 7   ? -9.702  -5.93   -6.666  1 52.244  ? 19  THR   A CA   1 ? 1 
ATOM   76   C C    . THR   A 1 7   ? -9.347  -5.681  -8.137  1 59.285  ? 19  THR   A C    1 ? 1 
ATOM   77   O O    . THR   A 1 7   ? -8.469  -4.87   -8.43   1 57.428  ? 19  THR   A O    1 ? 1 
ATOM   78   C CB   . THR   A 1 7   ? -8.991  -7.208  -6.23   1 55.936  ? 19  THR   A CB   1 ? 1 
ATOM   79   O OG1  . THR   A 1 7   ? -9.255  -7.496  -4.873  1 48.773  ? 19  THR   A OG1  1 ? 1 
ATOM   80   C CG2  . THR   A 1 7   ? -7.475  -7.078  -6.282  1 63.286  ? 19  THR   A CG2  1 ? 1 
ATOM   81   H H    . THR   A 1 7   ? -11.493 -6.742  -6.042  1 47.601  ? 19  THR   A H    1 c 1 
ATOM   82   H HA   . THR   A 1 7   ? -9.367  -5.181  -6.126  1 51.242  ? 19  THR   A HA   1 c 1 
ATOM   83   H HB   . THR   A 1 7   ? -9.28   -7.966  -6.793  1 56.977  ? 19  THR   A HB   1 c 1 
ATOM   84   H HG1  . THR   A 1 7   ? -9.365  -6.945  -4.286  0 30      ? 19  THR   A HG1  1 c 1 
ATOM   85   H HG21 . THR   A 1 7   ? -7.068  -7.88   -5.912  1 61.618  ? 19  THR   A HG21 1 c 1 
ATOM   86   H HG22 . THR   A 1 7   ? -7.198  -6.305  -5.76   1 59.926  ? 19  THR   A HG22 1 c 1 
ATOM   87   H HG23 . THR   A 1 7   ? -7.186  -6.966  -7.203  1 63.037  ? 19  THR   A HG23 1 c 1 
ATOM   88   N N    . GLU   A 1 8   ? -10.008 -6.407  -9.049  1 62.027  ? 20  GLU   A N    1 ? 1 
ATOM   89   C CA   . GLU   A 1 8   ? -9.593  -6.405  -10.445 1 67.663  ? 20  GLU   A CA   1 ? 1 
ATOM   90   C C    . GLU   A 1 8   ? -10.199 -5.226  -11.207 1 67.045  ? 20  GLU   A C    1 ? 1 
ATOM   91   O O    . GLU   A 1 8   ? -9.545  -4.724  -12.105 1 74.197  ? 20  GLU   A O    1 ? 1 
ATOM   92   C CB   . GLU   A 1 8   ? -9.902  -7.697  -11.203 1 61.647  ? 20  GLU   A CB   1 ? 1 
ATOM   93   H H    . GLU   A 1 8   ? -10.725 -6.916  -8.798  1 61.846  ? 20  GLU   A H    1 c 1 
ATOM   94   H HA   . GLU   A 1 8   ? -8.608  -6.298  -10.464 1 65.704  ? 20  GLU   A HA   1 c 1 
ATOM   95   H HB2  . GLU   A 1 8   ? -9.058  -8.138  -11.446 0 30      ? 20  GLU   A HB2  1 c 1 
ATOM   96   H HB3  . GLU   A 1 8   ? -10.864 -7.768  -11.225 0 30      ? 20  GLU   A HB3  1 c 1 
ATOM   97   N N    . GLN   A 1 9   ? -11.442 -4.821  -10.899 1 63.924  ? 21  GLN   A N    1 ? 1 
ATOM   98   C CA   . GLN   A 1 9   ? -12.178 -3.883  -11.737 1 65.81   ? 21  GLN   A CA   1 ? 1 
ATOM   99   C C    . GLN   A 1 9   ? -12.605 -2.624  -10.968 1 57.176  ? 21  GLN   A C    1 ? 1 
ATOM   100  O O    . GLN   A 1 9   ? -13.302 -1.759  -11.489 1 57.256  ? 21  GLN   A O    1 ? 1 
ATOM   101  C CB   . GLN   A 1 9   ? -13.397 -4.609  -12.309 1 72.268  ? 21  GLN   A CB   1 ? 1 
ATOM   102  H H    . GLN   A 1 9   ? -11.849 -5.156  -10.152 1 62.917  ? 21  GLN   A H    1 c 1 
ATOM   103  H HA   . GLN   A 1 9   ? -11.596 -3.608  -12.489 1 67.139  ? 21  GLN   A HA   1 c 1 
ATOM   104  H HB2  . GLN   A 1 9   ? -12.896 -5.226  -13.071 0 30      ? 21  GLN   A HB2  1 c 1 
ATOM   105  H HB3  . GLN   A 1 9   ? -14.081 -4.2    -12.076 0 30      ? 21  GLN   A HB3  1 c 1 
ATOM   106  N N    . GLY   A 1 10  ? -12.282 -2.555  -9.683  1 55.994  ? 22  GLY   A N    1 ? 1 
ATOM   107  C CA   . GLY   A 1 10  ? -12.837 -1.518  -8.827  1 48.429  ? 22  GLY   A CA   1 ? 1 
ATOM   108  C C    . GLY   A 1 10  ? -12.092 -0.201  -9.047  1 46.205  ? 22  GLY   A C    1 ? 1 
ATOM   109  O O    . GLY   A 1 10  ? -10.917 -0.213  -9.392  1 44.4    ? 22  GLY   A O    1 ? 1 
ATOM   110  H H    . GLY   A 1 10  ? -11.69  -3.152  -9.326  1 54.266  ? 22  GLY   A H    1 c 1 
ATOM   111  H HA2  . GLY   A 1 10  ? -13.794 -1.399  -9.032  1 49.257  ? 22  GLY   A HA2  1 c 1 
ATOM   112  H HA3  . GLY   A 1 10  ? -12.756 -1.793  -7.885  1 47.348  ? 22  GLY   A HA3  1 c 1 
ATOM   113  N N    . GLU   A 1 11  ? -12.794 0.91    -8.856  1 46.686  ? 23  GLU   A N    1 ? 1 
ATOM   114  C CA   . GLU   A 1 11  ? -12.216 2.242   -9.012  1 47.596  ? 23  GLU   A CA   1 ? 1 
ATOM   115  C C    . GLU   A 1 11  ? -11.521 2.684   -7.711  1 41.775  ? 23  GLU   A C    1 ? 1 
ATOM   116  O O    . GLU   A 1 11  ? -12.035 2.496   -6.605  1 34.798  ? 23  GLU   A O    1 ? 1 
ATOM   117  C CB   . GLU   A 1 11  ? -13.346 3.143   -9.51   1 53.679  ? 23  GLU   A CB   1 ? 1 
ATOM   118  C CG   . GLU   A 1 11  ? -13.046 4.633   -9.368  1 64.271  ? 23  GLU   A CG   1 ? 1 
ATOM   119  C CD   . GLU   A 1 11  ? -14.081 5.534   -10.03  1 78.535  ? 23  GLU   A CD   1 ? 1 
ATOM   120  O OE1  . GLU   A 1 11  ? -13.875 5.852   -11.224 1 93.027  ? 23  GLU   A OE1  1 ? 1 
ATOM   121  O OE2  . GLU   A 1 11  ? -15.062 5.954   -9.366  1 84.308  ? 23  GLU   A OE2  1 ? 1 
ATOM   122  H H    . GLU   A 1 11  ? -13.672 0.84    -8.61   1 45.966  ? 23  GLU   A H    1 c 1 
ATOM   123  H HA   . GLU   A 1 11  ? -11.533 2.198   -9.729  1 49.282  ? 23  GLU   A HA   1 c 1 
ATOM   124  H HB2  . GLU   A 1 11  ? -13.518 2.941   -10.454 1 56.353  ? 23  GLU   A HB2  1 c 1 
ATOM   125  H HB3  . GLU   A 1 11  ? -14.161 2.939   -9.007  1 53.196  ? 23  GLU   A HB3  1 c 1 
ATOM   126  H HG2  . GLU   A 1 11  ? -13     4.862   -8.415  1 62.184  ? 23  GLU   A HG2  1 c 1 
ATOM   127  H HG3  . GLU   A 1 11  ? -12.168 4.822   -9.763  1 65.319  ? 23  GLU   A HG3  1 c 1 
ATOM   128  N N    . ASP   A 1 12  ? -10.297 3.217   -7.842  1 39.86   ? 24  ASP   A N    1 ? 1 
ATOM   129  C CA   . ASP   A 1 12  ? -9.548  3.705   -6.7    1 37.982  ? 24  ASP   A CA   1 ? 1 
ATOM   130  C C    . ASP   A 1 12  ? -10.033 5.093   -6.342  1 38.713  ? 24  ASP   A C    1 ? 1 
ATOM   131  O O    . ASP   A 1 12  ? -9.807  6.04    -7.111  1 38.544  ? 24  ASP   A O    1 ? 1 
ATOM   132  C CB   . ASP   A 1 12  ? -8.056  3.739   -6.967  1 42.042  ? 24  ASP   A CB   1 ? 1 
ATOM   133  C CG   . ASP   A 1 12  ? -7.218  4.177   -5.772  1 39.215  ? 24  ASP   A CG   1 ? 1 
ATOM   134  O OD1  . ASP   A 1 12  ? -7.804  4.579   -4.747  1 36.209  ? 24  ASP   A OD1  1 ? 1 
ATOM   135  O OD2  . ASP   A 1 12  ? -5.979  4.182   -5.895  1 40.07   ? 24  ASP   A OD2  1 ? 1 
ATOM   136  H H    . ASP   A 1 12  ? -9.92   3.277   -8.673  1 42.29   ? 24  ASP   A H    1 c 1 
ATOM   137  H HA   . ASP   A 1 12  ? -9.71   3.105   -5.94   1 37.33   ? 24  ASP   A HA   1 c 1 
ATOM   138  H HB2  . ASP   A 1 12  ? -7.763  2.843   -7.235  1 41.658  ? 24  ASP   A HB2  1 c 1 
ATOM   139  H HB3  . ASP   A 1 12  ? -7.877  4.351   -7.712  1 42.657  ? 24  ASP   A HB3  1 c 1 
ATOM   140  N N    . ILE   A 1 13  ? -10.743 5.204   -5.202  1 38.868  ? 25  ILE   A N    1 ? 1 
ATOM   141  C CA   . ILE   A 1 13  ? -11.414 6.457   -4.872  1 36.603  ? 25  ILE   A CA   1 ? 1 
ATOM   142  C C    . ILE   A 1 13  ? -10.632 7.206   -3.789  1 38.667  ? 25  ILE   A C    1 ? 1 
ATOM   143  O O    . ILE   A 1 13  ? -11.139 8.189   -3.248  1 37.672  ? 25  ILE   A O    1 ? 1 
ATOM   144  C CB   . ILE   A 1 13  ? -12.893 6.238   -4.489  1 35.504  ? 25  ILE   A CB   1 ? 1 
ATOM   145  C CG1  . ILE   A 1 13  ? -13.083 5.284   -3.321  1 33.436  ? 25  ILE   A CG1  1 ? 1 
ATOM   146  C CG2  . ILE   A 1 13  ? -13.698 5.782   -5.703  1 41.952  ? 25  ILE   A CG2  1 ? 1 
ATOM   147  C CD1  . ILE   A 1 13  ? -14.459 5.308   -2.66   1 34.474  ? 25  ILE   A CD1  1 ? 1 
ATOM   148  H H    . ILE   A 1 13  ? -10.802 4.498   -4.625  1 36.777  ? 25  ILE   A H    1 c 1 
ATOM   149  H HA   . ILE   A 1 13  ? -11.406 7.014   -5.673  1 38.869  ? 25  ILE   A HA   1 c 1 
ATOM   150  H HB   . ILE   A 1 13  ? -13.251 7.105   -4.213  1 36.202  ? 25  ILE   A HB   1 c 1 
ATOM   151  H HG12 . ILE   A 1 13  ? -12.91  4.374   -3.636  1 34.166  ? 25  ILE   A HG12 1 c 1 
ATOM   152  H HG13 . ILE   A 1 13  ? -12.412 5.491   -2.639  1 33.44   ? 25  ILE   A HG13 1 c 1 
ATOM   153  H HG21 . ILE   A 1 13  ? -14.638 5.717   -5.465  1 39.777  ? 25  ILE   A HG21 1 c 1 
ATOM   154  H HG22 . ILE   A 1 13  ? -13.379 4.912   -5.997  1 40.633  ? 25  ILE   A HG22 1 c 1 
ATOM   155  H HG23 . ILE   A 1 13  ? -13.592 6.425   -6.424  1 41.666  ? 25  ILE   A HG23 1 c 1 
ATOM   156  H HD11 . ILE   A 1 13  ? -14.663 6.215   -2.364  1 33.781  ? 25  ILE   A HD11 1 c 1 
ATOM   157  H HD12 . ILE   A 1 13  ? -14.462 4.708   -1.89   1 32.87   ? 25  ILE   A HD12 1 c 1 
ATOM   158  H HD13 . ILE   A 1 13  ? -15.137 5.016   -3.299  1 34.481  ? 25  ILE   A HD13 1 c 1 
ATOM   159  N N    . THR   A 1 14  ? -9.386  6.807   -3.496  1 36.061  ? 26  THR   A N    1 ? 1 
ATOM   160  C CA   . THR   A 1 14  ? -8.551  7.514   -2.54   1 36.5    ? 26  THR   A CA   1 ? 1 
ATOM   161  C C    . THR   A 1 14  ? -7.955  8.747   -3.225  1 38.786  ? 26  THR   A C    1 ? 1 
ATOM   162  O O    . THR   A 1 14  ? -7.708  8.721   -4.427  1 41.292  ? 26  THR   A O    1 ? 1 
ATOM   163  C CB   . THR   A 1 14  ? -7.427  6.635   -1.976  1 36.016  ? 26  THR   A CB   1 ? 1 
ATOM   164  O OG1  . THR   A 1 14  ? -6.523  6.27    -3.029  1 36.924  ? 26  THR   A OG1  1 ? 1 
ATOM   165  C CG2  . THR   A 1 14  ? -7.957  5.41    -1.276  1 32.34   ? 26  THR   A CG2  1 ? 1 
ATOM   166  H H    . THR   A 1 14  ? -9.044  6.066   -3.908  1 37.259  ? 26  THR   A H    1 c 1 
ATOM   167  H HA   . THR   A 1 14  ? -9.117  7.809   -1.795  1 35.405  ? 26  THR   A HA   1 c 1 
ATOM   168  H HB   . THR   A 1 14  ? -6.93   7.163   -1.307  1 35.753  ? 26  THR   A HB   1 c 1 
ATOM   169  H HG1  . THR   A 1 14  ? -6.979  5.836   -3.642  0 30      ? 26  THR   A HG1  1 c 1 
ATOM   170  H HG21 . THR   A 1 14  ? -7.217  4.903   -0.902  1 33.048  ? 26  THR   A HG21 1 c 1 
ATOM   171  H HG22 . THR   A 1 14  ? -8.439  4.856   -1.912  1 32.914  ? 26  THR   A HG22 1 c 1 
ATOM   172  H HG23 . THR   A 1 14  ? -8.558  5.678   -0.561  1 31.823  ? 26  THR   A HG23 1 c 1 
ATOM   173  N N    . SER   A 1 15  ? -7.713  9.815   -2.439  1 43.133  ? 27  SER   A N    1 ? 1 
ATOM   174  C CA   . SER   A 1 15  ? -7.017  11.012  -2.926  1 46.009  ? 27  SER   A CA   1 ? 1 
ATOM   175  C C    . SER   A 1 15  ? -5.572  10.692  -3.27   1 47.09   ? 27  SER   A C    1 ? 1 
ATOM   176  O O    . SER   A 1 15  ? -5.016  11.209  -4.257  1 52.013  ? 27  SER   A O    1 ? 1 
ATOM   177  C CB   . SER   A 1 15  ? -7.065  12.095  -1.89   1 49.463  ? 27  SER   A CB   1 ? 1 
ATOM   178  O OG   . SER   A 1 15  ? -8.411  12.422  -1.544  1 49.858  ? 27  SER   A OG   1 ? 1 
ATOM   179  H H    . SER   A 1 15  ? -7.99   9.795   -1.569  1 40.979  ? 27  SER   A H    1 c 1 
ATOM   180  H HA   . SER   A 1 15  ? -7.474  11.332  -3.745  1 47.12   ? 27  SER   A HA   1 c 1 
ATOM   181  H HB2  . SER   A 1 15  ? -6.588  11.799  -1.091  1 48.52   ? 27  SER   A HB2  1 c 1 
ATOM   182  H HB3  . SER   A 1 15  ? -6.616  12.891  -2.234  1 50.822  ? 27  SER   A HB3  1 c 1 
ATOM   183  H HG   . SER   A 1 15  ? -8.567  13.095  -1.277  0 30      ? 27  SER   A HG   1 c 1 
ATOM   184  N N    . LYS   A 1 16  ? -4.947  9.859   -2.431  1 43.936  ? 28  LYS   A N    1 ? 1 
ATOM   185  C CA   . LYS   A 1 16  ? -3.562  9.458   -2.648  1 52.412  ? 28  LYS   A CA   1 ? 1 
ATOM   186  C C    . LYS   A 1 16  ? -3.383  8.458   -3.785  1 48.867  ? 28  LYS   A C    1 ? 1 
ATOM   187  O O    . LYS   A 1 16  ? -2.261  8.205   -4.17   1 48.326  ? 28  LYS   A O    1 ? 1 
ATOM   188  C CB   . LYS   A 1 16  ? -2.968  8.824   -1.387  1 56.043  ? 28  LYS   A CB   1 ? 1 
ATOM   189  C CG   . LYS   A 1 16  ? -2.831  9.799   -0.238  1 57.082  ? 28  LYS   A CG   1 ? 1 
ATOM   190  C CD   . LYS   A 1 16  ? -1.811  9.356   0.799   1 66.341  ? 28  LYS   A CD   1 ? 1 
ATOM   191  C CE   . LYS   A 1 16  ? -2.31   9.661   2.174   1 69.288  ? 28  LYS   A CE   1 ? 1 
ATOM   192  N NZ   . LYS   A 1 16  ? -1.206  9.657   3.132   1 77.092  ? 28  LYS   A NZ   1 ? 1 
ATOM   193  H H    . LYS   A 1 16  ? -5.39   9.536   -1.7    1 44.251  ? 28  LYS   A H    1 c 1 
ATOM   194  H HA   . LYS   A 1 16  ? -3.036  10.27   -2.862  1 52.804  ? 28  LYS   A HA   1 c 1 
ATOM   195  H HB2  . LYS   A 1 16  ? -3.541  8.081   -1.101  1 53.376  ? 28  LYS   A HB2  1 c 1 
ATOM   196  H HB3  . LYS   A 1 16  ? -2.082  8.459   -1.595  1 56.496  ? 28  LYS   A HB3  1 c 1 
ATOM   197  H HG2  . LYS   A 1 16  ? -2.565  10.674  -0.597  1 60.236  ? 28  LYS   A HG2  1 c 1 
ATOM   198  H HG3  . LYS   A 1 16  ? -3.706  9.903   0.193   1 57.175  ? 28  LYS   A HG3  1 c 1 
ATOM   199  H HD2  . LYS   A 1 16  ? -1.652  8.391   0.717   1 64.436  ? 28  LYS   A HD2  1 c 1 
ATOM   200  H HD3  . LYS   A 1 16  ? -0.964  9.83    0.647   1 67.244  ? 28  LYS   A HD3  1 c 1 
ATOM   201  H HE2  . LYS   A 1 16  ? -2.74   10.536  2.189   1 69.681  ? 28  LYS   A HE2  1 c 1 
ATOM   202  H HE3  . LYS   A 1 16  ? -2.965  8.992   2.441   1 67.778  ? 28  LYS   A HE3  1 c 1 
ATOM   203  H HZ1  . LYS   A 1 16  ? -0.633  10.333  2.943   1 76.854  ? 28  LYS   A HZ1  1 c 1 
ATOM   204  H HZ2  . LYS   A 1 16  ? -0.762  8.868   3.086   1 75.039  ? 28  LYS   A HZ2  1 c 1 
ATOM   205  H HZ3  . LYS   A 1 16  ? -1.528  9.767   3.971   1 74.305  ? 28  LYS   A HZ3  1 c 1 
ATOM   206  N N    . LYS   A 1 17  ? -4.455  7.816   -4.276  1 48.324  ? 29  LYS   A N    1 ? 1 
ATOM   207  C CA   . LYS   A 1 17  ? -4.303  6.807   -5.319  1 50.535  ? 29  LYS   A CA   1 ? 1 
ATOM   208  C C    . LYS   A 1 17  ? -3.365  5.683   -4.84   1 51.688  ? 29  LYS   A C    1 ? 1 
ATOM   209  O O    . LYS   A 1 17  ? -2.432  5.27    -5.516  1 49.808  ? 29  LYS   A O    1 ? 1 
ATOM   210  C CB   . LYS   A 1 17  ? -3.851  7.423   -6.653  1 55.221  ? 29  LYS   A CB   1 ? 1 
ATOM   211  C CG   . LYS   A 1 17  ? -4.878  8.373   -7.275  1 58.05   ? 29  LYS   A CG   1 ? 1 
ATOM   212  C CD   . LYS   A 1 17  ? -6.144  7.656   -7.74   1 60.437  ? 29  LYS   A CD   1 ? 1 
ATOM   213  C CE   . LYS   A 1 17  ? -7.227  8.522   -8.347  1 69.885  ? 29  LYS   A CE   1 ? 1 
ATOM   214  N NZ   . LYS   A 1 17  ? -8.315  8.723   -7.375  1 69.198  ? 29  LYS   A NZ   1 ? 1 
ATOM   215  H H    . LYS   A 1 17  ? -5.29   7.999   -3.953  1 46.883  ? 29  LYS   A H    1 c 1 
ATOM   216  H HA   . LYS   A 1 17  ? -5.192  6.406   -5.468  1 49.6    ? 29  LYS   A HA   1 c 1 
ATOM   217  H HB2  . LYS   A 1 17  ? -3.013  7.914   -6.516  1 56.764  ? 29  LYS   A HB2  1 c 1 
ATOM   218  H HB3  . LYS   A 1 17  ? -3.672  6.7     -7.291  1 56.293  ? 29  LYS   A HB3  1 c 1 
ATOM   219  H HG2  . LYS   A 1 17  ? -5.119  9.055   -6.611  1 57.277  ? 29  LYS   A HG2  1 c 1 
ATOM   220  H HG3  . LYS   A 1 17  ? -4.465  8.826   -8.041  1 60.494  ? 29  LYS   A HG3  1 c 1 
ATOM   221  H HD2  . LYS   A 1 17  ? -5.884  6.977   -8.4    1 62.545  ? 29  LYS   A HD2  1 c 1 
ATOM   222  H HD3  . LYS   A 1 17  ? -6.525  7.176   -6.974  1 59.351  ? 29  LYS   A HD3  1 c 1 
ATOM   223  H HE2  . LYS   A 1 17  ? -6.858  9.387   -8.6    1 69.54   ? 29  LYS   A HE2  1 c 1 
ATOM   224  H HE3  . LYS   A 1 17  ? -7.585  8.093   -9.145  1 68.936  ? 29  LYS   A HE3  1 c 1 
ATOM   225  H HZ1  . LYS   A 1 17  ? -7.977  9.04    -6.596  1 67.746  ? 29  LYS   A HZ1  1 c 1 
ATOM   226  H HZ2  . LYS   A 1 17  ? -8.737  7.936   -7.218  1 67.312  ? 29  LYS   A HZ2  1 c 1 
ATOM   227  H HZ3  . LYS   A 1 17  ? -8.913  9.319   -7.704  1 68.968  ? 29  LYS   A HZ3  1 c 1 
ATOM   228  N N    . ASP   A 1 18  ? -3.641  5.134   -3.674  1 43.532  ? 30  ASP   A N    1 ? 1 
ATOM   229  C CA   . ASP   A 1 18  ? -2.83   4.075   -3.092  1 44.786  ? 30  ASP   A CA   1 ? 1 
ATOM   230  C C    . ASP   A 1 18  ? -3.612  2.755   -3.06   1 43.056  ? 30  ASP   A C    1 ? 1 
ATOM   231  O O    . ASP   A 1 18  ? -3.254  1.83    -2.304  1 41.884  ? 30  ASP   A O    1 ? 1 
ATOM   232  C CB   . ASP   A 1 18  ? -2.399  4.47    -1.678  1 43.752  ? 30  ASP   A CB   1 ? 1 
ATOM   233  C CG   . ASP   A 1 18  ? -3.546  4.806   -0.732  1 38.442  ? 30  ASP   A CG   1 ? 1 
ATOM   234  O OD1  . ASP   A 1 18  ? -4.677  4.443   -1.039  1 36.122  ? 30  ASP   A OD1  1 ? 1 
ATOM   235  O OD2  . ASP   A 1 18  ? -3.301  5.421   0.275   1 39.143  ? 30  ASP   A OD2  1 ? 1 
ATOM   236  H H    . ASP   A 1 18  ? -4.378  5.421   -3.216  1 43.631  ? 30  ASP   A H    1 c 1 
ATOM   237  H HA   . ASP   A 1 18  ? -2.022  3.953   -3.64   1 46.429  ? 30  ASP   A HA   1 c 1 
ATOM   238  H HB2  . ASP   A 1 18  ? -1.874  3.744   -1.284  1 43.375  ? 30  ASP   A HB2  1 c 1 
ATOM   239  H HB3  . ASP   A 1 18  ? -1.819  5.258   -1.74   1 44.542  ? 30  ASP   A HB3  1 c 1 
ATOM   240  N N    . ARG   A 1 19  ? -4.717  2.706   -3.824  1 41.799  ? 31  ARG   A N    1 ? 1 
ATOM   241  C CA   . ARG   A 1 19  ? -5.646  1.582   -3.875  1 43.44   ? 31  ARG   A CA   1 ? 1 
ATOM   242  C C    . ARG   A 1 19  ? -6.175  1.152   -2.51   1 39.491  ? 31  ARG   A C    1 ? 1 
ATOM   243  O O    . ARG   A 1 19  ? -6.648  0.016   -2.347  1 36.64   ? 31  ARG   A O    1 ? 1 
ATOM   244  C CB   . ARG   A 1 19  ? -5.069  0.375   -4.644  1 42.82   ? 31  ARG   A CB   1 ? 1 
ATOM   245  C CG   . ARG   A 1 19  ? -4.8    0.732   -6.09   1 45.278  ? 31  ARG   A CG   1 ? 1 
ATOM   246  C CD   . ARG   A 1 19  ? -4.001  -0.379  -6.812  1 48.001  ? 31  ARG   A CD   1 ? 1 
ATOM   247  N NE   . ARG   A 1 19  ? -4.67   -1.683  -6.68   1 46.609  ? 31  ARG   A NE   1 ? 1 
ATOM   248  C CZ   . ARG   A 1 19  ? -5.79   -2.021  -7.283  1 46.56   ? 31  ARG   A CZ   1 ? 1 
ATOM   249  N NH1  . ARG   A 1 19  ? -6.305  -1.215  -8.19   1 49.725  ? 31  ARG   A NH1  1 ? 1 
ATOM   250  N NH2  . ARG   A 1 19  ? -6.339  -3.203  -7.097  1 50.061  ? 31  ARG   A NH2  1 ? 1 
ATOM   251  H H    . ARG   A 1 19  ? -4.897  3.423   -4.36   1 43.252  ? 31  ARG   A H    1 c 1 
ATOM   252  H HA   . ARG   A 1 19  ? -6.43   1.881   -4.401  1 41.991  ? 31  ARG   A HA   1 c 1 
ATOM   253  H HB2  . ARG   A 1 19  ? -4.233  0.085   -4.22   1 43.743  ? 31  ARG   A HB2  1 c 1 
ATOM   254  H HB3  . ARG   A 1 19  ? -5.705  -0.371  -4.609  1 42.602  ? 31  ARG   A HB3  1 c 1 
ATOM   255  H HG2  . ARG   A 1 19  ? -5.653  0.869   -6.556  1 45.162  ? 31  ARG   A HG2  1 c 1 
ATOM   256  H HG3  . ARG   A 1 19  ? -4.291  1.57    -6.13   1 46.102  ? 31  ARG   A HG3  1 c 1 
ATOM   257  H HD2  . ARG   A 1 19  ? -3.907  -0.154  -7.76   1 49.607  ? 31  ARG   A HD2  1 c 1 
ATOM   258  H HD3  . ARG   A 1 19  ? -3.103  -0.435  -6.425  1 48.337  ? 31  ARG   A HD3  1 c 1 
ATOM   259  H HE   . ARG   A 1 19  ? -4.294  -2.28   -6.168  1 46.562  ? 31  ARG   A HE   1 c 1 
ATOM   260  H HH11 . ARG   A 1 19  ? -5.795  -0.912  -8.857  1 50.763  ? 31  ARG   A HH11 1 c 1 
ATOM   261  H HH12 . ARG   A 1 19  ? -7.163  -0.983  -8.131  1 48.001  ? 31  ARG   A HH12 1 c 1 
ATOM   262  H HH21 . ARG   A 1 19  ? -5.984  -3.77   -6.518  1 48.355  ? 31  ARG   A HH21 1 c 1 
ATOM   263  H HH22 . ARG   A 1 19  ? -7.061  -3.429  -7.554  1 49.077  ? 31  ARG   A HH22 1 c 1 
ATOM   264  N N    . GLY   A 1 20  ? -6.279  2.092   -1.57   1 35.412  ? 32  GLY   A N    1 ? 1 
ATOM   265  C CA   . GLY   A 1 20  ? -6.681  1.738   -0.217  1 36.388  ? 32  GLY   A CA   1 ? 1 
ATOM   266  C C    . GLY   A 1 20  ? -8.186  1.517   -0.086  1 32.253  ? 32  GLY   A C    1 ? 1 
ATOM   267  O O    . GLY   A 1 20  ? -8.622  0.852   0.842   1 33.977  ? 32  GLY   A O    1 ? 1 
ATOM   268  H H    . GLY   A 1 20  ? -6.111  2.968   -1.772  1 37.236  ? 32  GLY   A H    1 c 1 
ATOM   269  H HA2  . GLY   A 1 20  ? -6.206  0.917   0.054   1 35.316  ? 32  GLY   A HA2  1 c 1 
ATOM   270  H HA3  . GLY   A 1 20  ? -6.405  2.457   0.392   1 34.979  ? 32  GLY   A HA3  1 c 1 
ATOM   271  N N    . VAL   A 1 21  ? -8.961  2.103   -1.001  1 34.147  ? 33  VAL   A N    1 ? 1 
ATOM   272  C CA   . VAL   A 1 21  ? -10.404 2.023   -1.012  1 34.968  ? 33  VAL   A CA   1 ? 1 
ATOM   273  C C    . VAL   A 1 21  ? -10.796 1.872   -2.485  1 33.095  ? 33  VAL   A C    1 ? 1 
ATOM   274  O O    . VAL   A 1 21  ? -10.684 2.835   -3.262  1 33.679  ? 33  VAL   A O    1 ? 1 
ATOM   275  C CB   . VAL   A 1 21  ? -11.184 3.195   -0.374  1 32.44   ? 33  VAL   A CB   1 ? 1 
ATOM   276  C CG1  . VAL   A 1 21  ? -12.67  2.9     -0.391  1 30.133  ? 33  VAL   A CG1  1 ? 1 
ATOM   277  C CG2  . VAL   A 1 21  ? -10.643 3.617   0.999   1 30.829  ? 33  VAL   A CG2  1 ? 1 
ATOM   278  H H    . VAL   A 1 21  ? -8.556  2.59    -1.66   1 35.105  ? 33  VAL   A H    1 c 1 
ATOM   279  H HA   . VAL   A 1 21  ? -10.661 1.206   -0.545  1 33.048  ? 33  VAL   A HA   1 c 1 
ATOM   280  H HB   . VAL   A 1 21  ? -11.052 3.971   -0.967  1 32.942  ? 33  VAL   A HB   1 c 1 
ATOM   281  H HG11 . VAL   A 1 21  ? -12.831 2.02    -0.012  1 30.247  ? 33  VAL   A HG11 1 c 1 
ATOM   282  H HG12 . VAL   A 1 21  ? -12.998 2.923   -1.306  1 31.397  ? 33  VAL   A HG12 1 c 1 
ATOM   283  H HG13 . VAL   A 1 21  ? -13.139 3.569   0.136   1 30.162  ? 33  VAL   A HG13 1 c 1 
ATOM   284  H HG21 . VAL   A 1 21  ? -11.182 4.345   1.351   1 30.763  ? 33  VAL   A HG21 1 c 1 
ATOM   285  H HG22 . VAL   A 1 21  ? -9.721  3.912   0.909   1 31.773  ? 33  VAL   A HG22 1 c 1 
ATOM   286  H HG23 . VAL   A 1 21  ? -10.682 2.862   1.61    1 30.537  ? 33  VAL   A HG23 1 c 1 
ATOM   287  N N    . LEU   A 1 22  ? -11.295 0.675   -2.834  1 31.476  ? 34  LEU   A N    1 ? 1 
ATOM   288  C CA   . LEU   A 1 22  ? -11.766 0.333   -4.17   1 32.328  ? 34  LEU   A CA   1 ? 1 
ATOM   289  C C    . LEU   A 1 22  ? -13.274 0.12    -4.192  1 33.599  ? 34  LEU   A C    1 ? 1 
ATOM   290  O O    . LEU   A 1 22  ? -13.814 -0.484  -3.25   1 30.768  ? 34  LEU   A O    1 ? 1 
ATOM   291  C CB   . LEU   A 1 22  ? -11.014 -0.904  -4.635  1 38.035  ? 34  LEU   A CB   1 ? 1 
ATOM   292  C CG   . LEU   A 1 22  ? -9.48   -0.819  -4.631  1 37.549  ? 34  LEU   A CG   1 ? 1 
ATOM   293  C CD1  . LEU   A 1 22  ? -8.858  -2.201  -4.821  1 38.692  ? 34  LEU   A CD1  1 ? 1 
ATOM   294  C CD2  . LEU   A 1 22  ? -8.997  0.153   -5.717  1 36.608  ? 34  LEU   A CD2  1 ? 1 
ATOM   295  H H    . LEU   A 1 22  ? -11.342 0.027   -2.191  1 31.135  ? 34  LEU   A H    1 c 1 
ATOM   296  H HA   . LEU   A 1 22  ? -11.548 1.084   -4.773  1 34.332  ? 34  LEU   A HA   1 c 1 
ATOM   297  H HB2  . LEU   A 1 22  ? -11.282 -1.658  -4.061  1 36.016  ? 34  LEU   A HB2  1 c 1 
ATOM   298  H HB3  . LEU   A 1 22  ? -11.309 -1.115  -5.551  1 37.998  ? 34  LEU   A HB3  1 c 1 
ATOM   299  H HG   . LEU   A 1 22  ? -9.189  -0.469  -3.75   1 36.092  ? 34  LEU   A HG   1 c 1 
ATOM   300  H HD11 . LEU   A 1 22  ? -9.137  -2.786  -4.096  1 37.714  ? 34  LEU   A HD11 1 c 1 
ATOM   301  H HD12 . LEU   A 1 22  ? -7.889  -2.124  -4.819  1 39.363  ? 34  LEU   A HD12 1 c 1 
ATOM   302  H HD13 . LEU   A 1 22  ? -9.15   -2.576  -5.669  1 39.99   ? 34  LEU   A HD13 1 c 1 
ATOM   303  H HD21 . LEU   A 1 22  ? -9.294  1.052   -5.503  1 36.693  ? 34  LEU   A HD21 1 c 1 
ATOM   304  H HD22 . LEU   A 1 22  ? -9.363  -0.113  -6.578  1 38.584  ? 34  LEU   A HD22 1 c 1 
ATOM   305  H HD23 . LEU   A 1 22  ? -8.026  0.136   -5.76   1 38.166  ? 34  LEU   A HD23 1 c 1 
ATOM   306  N N    . LYS   A 1 23  ? -13.937 0.694   -5.214  1 34.766  ? 35  LYS   A N    1 ? 1 
ATOM   307  C CA   . LYS   A 1 23  ? -15.382 0.787   -5.306  1 36.168  ? 35  LYS   A CA   1 ? 1 
ATOM   308  C C    . LYS   A 1 23  ? -15.894 0.266   -6.638  1 39.521  ? 35  LYS   A C    1 ? 1 
ATOM   309  O O    . LYS   A 1 23  ? -15.386 0.653   -7.702  1 41.879  ? 35  LYS   A O    1 ? 1 
ATOM   310  C CB   . LYS   A 1 23  ? -15.865 2.233   -5.194  1 40.829  ? 35  LYS   A CB   1 ? 1 
ATOM   311  C CG   . LYS   A 1 23  ? -17.391 2.427   -5.261  1 41.708  ? 35  LYS   A CG   1 ? 1 
ATOM   312  C CD   . LYS   A 1 23  ? -17.85  3.866   -5.171  1 37.166  ? 35  LYS   A CD   1 ? 1 
ATOM   313  C CE   . LYS   A 1 23  ? -19.328 4.01    -5.291  1 39.934  ? 35  LYS   A CE   1 ? 1 
ATOM   314  N NZ   . LYS   A 1 23  ? -19.784 5.4     -5.459  1 37.514  ? 35  LYS   A NZ   1 ? 1 
ATOM   315  H H    . LYS   A 1 23  ? -13.445 1.046   -5.899  1 36.107  ? 35  LYS   A H    1 c 1 
ATOM   316  H HA   . LYS   A 1 23  ? -15.78  0.256   -4.575  1 36.029  ? 35  LYS   A HA   1 c 1 
ATOM   317  H HB2  . LYS   A 1 23  ? -15.545 2.604   -4.344  1 38.427  ? 35  LYS   A HB2  1 c 1 
ATOM   318  H HB3  . LYS   A 1 23  ? -15.456 2.755   -5.917  1 40.699  ? 35  LYS   A HB3  1 c 1 
ATOM   319  H HG2  . LYS   A 1 23  ? -17.717 2.046   -6.104  1 41.904  ? 35  LYS   A HG2  1 c 1 
ATOM   320  H HG3  . LYS   A 1 23  ? -17.8   1.918   -4.528  1 39.646  ? 35  LYS   A HG3  1 c 1 
ATOM   321  H HD2  . LYS   A 1 23  ? -17.561 4.24    -4.31   1 37.321  ? 35  LYS   A HD2  1 c 1 
ATOM   322  H HD3  . LYS   A 1 23  ? -17.419 4.384   -5.886  1 39.547  ? 35  LYS   A HD3  1 c 1 
ATOM   323  H HE2  . LYS   A 1 23  ? -19.633 3.487   -6.052  1 40.048  ? 35  LYS   A HE2  1 c 1 
ATOM   324  H HE3  . LYS   A 1 23  ? -19.746 3.641   -4.493  1 37.843  ? 35  LYS   A HE3  1 c 1 
ATOM   325  H HZ1  . LYS   A 1 23  ? -19.442 5.744   -6.224  1 39.434  ? 35  LYS   A HZ1  1 c 1 
ATOM   326  H HZ2  . LYS   A 1 23  ? -19.505 5.901   -4.757  1 37.359  ? 35  LYS   A HZ2  1 c 1 
ATOM   327  H HZ3  . LYS   A 1 23  ? -20.688 5.424   -5.501  1 39.014  ? 35  LYS   A HZ3  1 c 1 
ATOM   328  N N    . ILE   A 1 24  ? -16.93  -0.592  -6.575  1 41.344  ? 36  ILE   A N    1 ? 1 
ATOM   329  C CA   . ILE   A 1 24  ? -17.806 -0.871  -7.714  1 41.57   ? 36  ILE   A CA   1 ? 1 
ATOM   330  C C    . ILE   A 1 24  ? -19.239 -0.449  -7.389  1 43.683  ? 36  ILE   A C    1 ? 1 
ATOM   331  O O    . ILE   A 1 24  ? -19.849 -0.856  -6.397  1 42.278  ? 36  ILE   A O    1 ? 1 
ATOM   332  C CB   . ILE   A 1 24  ? -17.755 -2.342  -8.128  1 47.886  ? 36  ILE   A CB   1 ? 1 
ATOM   333  C CG1  . ILE   A 1 24  ? -16.349 -2.739  -8.519  1 51.057  ? 36  ILE   A CG1  1 ? 1 
ATOM   334  C CG2  . ILE   A 1 24  ? -18.777 -2.66   -9.236  1 50.544  ? 36  ILE   A CG2  1 ? 1 
ATOM   335  C CD1  . ILE   A 1 24  ? -16.268 -4.073  -9.207  1 54.939  ? 36  ILE   A CD1  1 ? 1 
ATOM   336  H H    . ILE   A 1 24  ? -17.095 -1.025  -5.787  1 39.445  ? 36  ILE   A H    1 c 1 
ATOM   337  H HA   . ILE   A 1 24  ? -17.496 -0.337  -8.471  1 44.26   ? 36  ILE   A HA   1 c 1 
ATOM   338  H HB   . ILE   A 1 24  ? -17.998 -2.873  -7.343  1 46.363  ? 36  ILE   A HB   1 c 1 
ATOM   339  H HG12 . ILE   A 1 24  ? -15.984 -2.055  -9.117  1 51.357  ? 36  ILE   A HG12 1 c 1 
ATOM   340  H HG13 . ILE   A 1 24  ? -15.792 -2.764  -7.715  1 49.09   ? 36  ILE   A HG13 1 c 1 
ATOM   341  H HG21 . ILE   A 1 24  ? -18.794 -3.618  -9.401  1 51.745  ? 36  ILE   A HG21 1 c 1 
ATOM   342  H HG22 . ILE   A 1 24  ? -18.526 -2.198  -10.054 1 51.876  ? 36  ILE   A HG22 1 c 1 
ATOM   343  H HG23 . ILE   A 1 24  ? -19.661 -2.369  -8.961  1 50.379  ? 36  ILE   A HG23 1 c 1 
ATOM   344  H HD11 . ILE   A 1 24  ? -16.806 -4.725  -8.718  1 54.137  ? 36  ILE   A HD11 1 c 1 
ATOM   345  H HD12 . ILE   A 1 24  ? -15.339 -4.371  -9.228  1 54.485  ? 36  ILE   A HD12 1 c 1 
ATOM   346  H HD13 . ILE   A 1 24  ? -16.603 -3.997  -10.121 1 56.367  ? 36  ILE   A HD13 1 c 1 
ATOM   347  N N    . VAL   A 1 25  ? -19.833 0.313   -8.296  1 41.751  ? 37  VAL   A N    1 ? 1 
ATOM   348  C CA   . VAL   A 1 25  ? -21.24  0.64    -8.19   1 44.283  ? 37  VAL   A CA   1 ? 1 
ATOM   349  C C    . VAL   A 1 25  ? -22.014 -0.614  -8.636  1 49.689  ? 37  VAL   A C    1 ? 1 
ATOM   350  O O    . VAL   A 1 25  ? -21.841 -1.081  -9.754  1 50.395  ? 37  VAL   A O    1 ? 1 
ATOM   351  C CB   . VAL   A 1 25  ? -21.617 1.857   -9.069  1 45.36   ? 37  VAL   A CB   1 ? 1 
ATOM   352  C CG1  . VAL   A 1 25  ? -23.096 2.171   -8.915  1 46.968  ? 37  VAL   A CG1  1 ? 1 
ATOM   353  C CG2  . VAL   A 1 25  ? -20.766 3.095   -8.728  1 42.931  ? 37  VAL   A CG2  1 ? 1 
ATOM   354  H H    . VAL   A 1 25  ? -19.355 0.634   -9.005  1 43.944  ? 37  VAL   A H    1 c 1 
ATOM   355  H HA   . VAL   A 1 25  ? -21.454 0.839   -7.258  1 42.855  ? 37  VAL   A HA   1 c 1 
ATOM   356  H HB   . VAL   A 1 25  ? -21.447 1.609   -10.008 1 47.238  ? 37  VAL   A HB   1 c 1 
ATOM   357  H HG11 . VAL   A 1 25  ? -23.321 2.221   -7.97   1 45.23   ? 37  VAL   A HG11 1 c 1 
ATOM   358  H HG12 . VAL   A 1 25  ? -23.624 1.472   -9.336  1 48.389  ? 37  VAL   A HG12 1 c 1 
ATOM   359  H HG13 . VAL   A 1 25  ? -23.292 3.023   -9.34   1 47.577  ? 37  VAL   A HG13 1 c 1 
ATOM   360  H HG21 . VAL   A 1 25  ? -21.006 3.827   -9.32   1 44.403  ? 37  VAL   A HG21 1 c 1 
ATOM   361  H HG22 . VAL   A 1 25  ? -19.824 2.885   -8.84   1 42.832  ? 37  VAL   A HG22 1 c 1 
ATOM   362  H HG23 . VAL   A 1 25  ? -20.931 3.358   -7.808  1 41.586  ? 37  VAL   A HG23 1 c 1 
ATOM   363  N N    . LYS   A 1 26  ? -22.897 -1.134  -7.784  1 49.045  ? 38  LYS   A N    1 ? 1 
ATOM   364  C CA   . LYS   A 1 26  ? -23.678 -2.313  -8.157  1 52.017  ? 38  LYS   A CA   1 ? 1 
ATOM   365  C C    . LYS   A 1 26  ? -25.084 -1.931  -8.574  1 51.019  ? 38  LYS   A C    1 ? 1 
ATOM   366  O O    . LYS   A 1 26  ? -25.648 -2.598  -9.413  1 54.05   ? 38  LYS   A O    1 ? 1 
ATOM   367  C CB   . LYS   A 1 26  ? -23.701 -3.336  -7.013  1 48.567  ? 38  LYS   A CB   1 ? 1 
ATOM   368  C CG   . LYS   A 1 26  ? -22.317 -3.91   -6.652  1 46.884  ? 38  LYS   A CG   1 ? 1 
ATOM   369  C CD   . LYS   A 1 26  ? -21.47  -4.453  -7.815  1 46.395  ? 38  LYS   A CD   1 ? 1 
ATOM   370  C CE   . LYS   A 1 26  ? -21.87  -5.772  -8.202  1 46.965  ? 38  LYS   A CE   1 ? 1 
ATOM   371  N NZ   . LYS   A 1 26  ? -21.037 -6.428  -9.202  1 51.414  ? 38  LYS   A NZ   1 ? 1 
ATOM   372  H H    . LYS   A 1 26  ? -23.016 -0.76   -6.958  1 47.575  ? 38  LYS   A H    1 c 1 
ATOM   373  H HA   . LYS   A 1 26  ? -23.242 -2.739  -8.935  1 52.126  ? 38  LYS   A HA   1 c 1 
ATOM   374  H HB2  . LYS   A 1 26  ? -24.08  -2.91   -6.215  1 47.813  ? 38  LYS   A HB2  1 c 1 
ATOM   375  H HB3  . LYS   A 1 26  ? -24.291 -4.079  -7.264  1 50.869  ? 38  LYS   A HB3  1 c 1 
ATOM   376  H HG2  . LYS   A 1 26  ? -21.805 -3.204  -6.2    1 44.513  ? 38  LYS   A HG2  1 c 1 
ATOM   377  H HG3  . LYS   A 1 26  ? -22.448 -4.631  -5.999  1 46.03   ? 38  LYS   A HG3  1 c 1 
ATOM   378  H HD2  . LYS   A 1 26  ? -21.544 -3.854  -8.587  1 47.446  ? 38  LYS   A HD2  1 c 1 
ATOM   379  H HD3  . LYS   A 1 26  ? -20.528 -4.473  -7.539  1 45.096  ? 38  LYS   A HD3  1 c 1 
ATOM   380  H HE2  . LYS   A 1 26  ? -21.889 -6.336  -7.408  1 47.149  ? 38  LYS   A HE2  1 c 1 
ATOM   381  H HE3  . LYS   A 1 26  ? -22.78  -5.727  -8.546  1 49.559  ? 38  LYS   A HE3  1 c 1 
ATOM   382  H HZ1  . LYS   A 1 26  ? -20.249 -6.677  -8.829  1 49.443  ? 38  LYS   A HZ1  1 c 1 
ATOM   383  H HZ2  . LYS   A 1 26  ? -20.875 -5.86   -9.889  1 51.276  ? 38  LYS   A HZ2  1 c 1 
ATOM   384  H HZ3  . LYS   A 1 26  ? -21.461 -7.164  -9.518  1 52.526  ? 38  LYS   A HZ3  1 c 1 
ATOM   385  N N    . ARG   A 1 27  ? -25.673 -0.888  -7.986  1 49.863  ? 39  ARG   A N    1 ? 1 
ATOM   386  C CA   . ARG   A 1 27  ? -26.973 -0.399  -8.429  1 54.987  ? 39  ARG   A CA   1 ? 1 
ATOM   387  C C    . ARG   A 1 27  ? -26.927 1.136   -8.492  1 53.342  ? 39  ARG   A C    1 ? 1 
ATOM   388  O O    . ARG   A 1 27  ? -26.517 1.791   -7.535  1 50.366  ? 39  ARG   A O    1 ? 1 
ATOM   389  C CB   . ARG   A 1 27  ? -28.121 -0.947  -7.56   1 56.449  ? 39  ARG   A CB   1 ? 1 
ATOM   390  C CG   . ARG   A 1 27  ? -29.448 -0.266  -7.877  1 62.204  ? 39  ARG   A CG   1 ? 1 
ATOM   391  C CD   . ARG   A 1 27  ? -30.771 -0.87   -7.496  1 72.07   ? 39  ARG   A CD   1 ? 1 
ATOM   392  N NE   . ARG   A 1 27  ? -31.086 -1.437  -6.177  1 78.447  ? 39  ARG   A NE   1 ? 1 
ATOM   393  C CZ   . ARG   A 1 27  ? -31.333 -0.82   -5.02   1 76.373  ? 39  ARG   A CZ   1 ? 1 
ATOM   394  N NH1  . ARG   A 1 27  ? -30.923 0.399   -4.784  1 66.983  ? 39  ARG   A NH1  1 ? 1 
ATOM   395  N NH2  . ARG   A 1 27  ? -31.916 -1.5    -4.046  1 82.178  ? 39  ARG   A NH2  1 ? 1 
ATOM   396  H H    . ARG   A 1 27  ? -25.263 -0.474  -7.282  1 48.474  ? 39  ARG   A H    1 c 1 
ATOM   397  H HA   . ARG   A 1 27  ? -27.124 -0.731  -9.351  1 56.622  ? 39  ARG   A HA   1 c 1 
ATOM   398  H HB2  . ARG   A 1 27  ? -28.21  -1.912  -7.712  1 58.119  ? 39  ARG   A HB2  1 c 1 
ATOM   399  H HB3  . ARG   A 1 27  ? -27.906 -0.806  -6.614  1 54.906  ? 39  ARG   A HB3  1 c 1 
ATOM   400  H HG2  . ARG   A 1 27  ? -29.415 0.631   -7.479  1 61.69   ? 39  ARG   A HG2  1 c 1 
ATOM   401  H HG3  . ARG   A 1 27  ? -29.469 -0.11   -8.847  1 64.665  ? 39  ARG   A HG3  1 c 1 
ATOM   402  H HD2  . ARG   A 1 27  ? -31.432 -0.172  -7.682  1 72.858  ? 39  ARG   A HD2  1 c 1 
ATOM   403  H HD3  . ARG   A 1 27  ? -30.93  -1.57   -8.162  1 73.743  ? 39  ARG   A HD3  1 c 1 
ATOM   404  H HE   . ARG   A 1 27  ? -31.112 -2.307  -6.14   1 77.289  ? 39  ARG   A HE   1 c 1 
ATOM   405  H HH11 . ARG   A 1 27  ? -30.248 0.733   -5.248  1 68.206  ? 39  ARG   A HH11 1 c 1 
ATOM   406  H HH12 . ARG   A 1 27  ? -31.32  0.885   -4.159  1 68.945  ? 39  ARG   A HH12 1 c 1 
ATOM   407  H HH21 . ARG   A 1 27  ? -32.257 -2.3    -4.207  1 81.973  ? 39  ARG   A HH21 1 c 1 
ATOM   408  H HH22 . ARG   A 1 27  ? -31.966 -1.151  -3.234  1 79.087  ? 39  ARG   A HH22 1 c 1 
ATOM   409  N N    . VAL   A 1 28  ? -27.323 1.728   -9.621  1 55.677  ? 40  VAL   A N    1 ? 1 
ATOM   410  C CA   . VAL   A 1 28  ? -27.174 3.17    -9.769  1 54.797  ? 40  VAL   A CA   1 ? 1 
ATOM   411  C C    . VAL   A 1 28  ? -28.261 3.863   -8.938  1 57.263  ? 40  VAL   A C    1 ? 1 
ATOM   412  O O    . VAL   A 1 28  ? -29.424 3.428   -8.897  1 59.784  ? 40  VAL   A O    1 ? 1 
ATOM   413  C CB   . VAL   A 1 28  ? -27.19  3.635   -11.242 1 61.048  ? 40  VAL   A CB   1 ? 1 
ATOM   414  C CG1  . VAL   A 1 28  ? -27.41  5.144   -11.332 1 61.438  ? 40  VAL   A CG1  1 ? 1 
ATOM   415  C CG2  . VAL   A 1 28  ? -25.926 3.242   -12.006 1 57.528  ? 40  VAL   A CG2  1 ? 1 
ATOM   416  H H    . VAL   A 1 28  ? -27.69  1.24    -10.302 1 57.828  ? 40  VAL   A H    1 c 1 
ATOM   417  H HA   . VAL   A 1 28  ? -26.306 3.417   -9.393  1 53.865  ? 40  VAL   A HA   1 c 1 
ATOM   418  H HB   . VAL   A 1 28  ? -27.955 3.192   -11.678 1 61.986  ? 40  VAL   A HB   1 c 1 
ATOM   419  H HG11 . VAL   A 1 28  ? -26.857 5.595   -10.673 1 59.117  ? 40  VAL   A HG11 1 c 1 
ATOM   420  H HG12 . VAL   A 1 28  ? -28.345 5.346   -11.167 1 62.418  ? 40  VAL   A HG12 1 c 1 
ATOM   421  H HG13 . VAL   A 1 28  ? -27.167 5.454   -12.221 1 62.955  ? 40  VAL   A HG13 1 c 1 
ATOM   422  H HG21 . VAL   A 1 28  ? -26.005 3.525   -12.933 1 60.756  ? 40  VAL   A HG21 1 c 1 
ATOM   423  H HG22 . VAL   A 1 28  ? -25.812 2.278   -11.972 1 58.62   ? 40  VAL   A HG22 1 c 1 
ATOM   424  H HG23 . VAL   A 1 28  ? -25.155 3.673   -11.602 1 56.543  ? 40  VAL   A HG23 1 c 1 
ATOM   425  N N    . GLY   A 1 29  ? -27.876 4.974   -8.297  1 52.416  ? 41  GLY   A N    1 ? 1 
ATOM   426  C CA   . GLY   A 1 29  ? -28.792 5.771   -7.499  1 54.673  ? 41  GLY   A CA   1 ? 1 
ATOM   427  C C    . GLY   A 1 29  ? -29.505 6.861   -8.306  1 59.417  ? 41  GLY   A C    1 ? 1 
ATOM   428  O O    . GLY   A 1 29  ? -29.367 6.939   -9.516  1 62.571  ? 41  GLY   A O    1 ? 1 
ATOM   429  H H    . GLY   A 1 29  ? -27.005 5.244   -8.36   1 52.401  ? 41  GLY   A H    1 c 1 
ATOM   430  H HA2  . GLY   A 1 29  ? -29.465 5.176   -7.093  1 55.086  ? 41  GLY   A HA2  1 c 1 
ATOM   431  H HA3  . GLY   A 1 29  ? -28.286 6.192   -6.765  1 52.608  ? 41  GLY   A HA3  1 c 1 
ATOM   432  N N    . ASN   A 1 30  ? -30.245 7.718   -7.588  1 59.919  ? 42  ASN   A N    1 ? 1 
ATOM   433  C CA   . ASN   A 1 30  ? -31.093 8.742   -8.175  1 68.558  ? 42  ASN   A CA   1 ? 1 
ATOM   434  C C    . ASN   A 1 30  ? -30.477 10.114  -7.902  1 68.864  ? 42  ASN   A C    1 ? 1 
ATOM   435  O O    . ASN   A 1 30  ? -29.849 10.324  -6.859  1 63.632  ? 42  ASN   A O    1 ? 1 
ATOM   436  C CB   . ASN   A 1 30  ? -32.517 8.646   -7.632  1 72.293  ? 42  ASN   A CB   1 ? 1 
ATOM   437  C CG   . ASN   A 1 30  ? -32.975 7.211   -7.49   1 77.913  ? 42  ASN   A CG   1 ? 1 
ATOM   438  O OD1  . ASN   A 1 30  ? -32.697 6.548   -6.485  1 81.977  ? 42  ASN   A OD1  1 ? 1 
ATOM   439  N ND2  . ASN   A 1 30  ? -33.667 6.692   -8.488  1 87.588  ? 42  ASN   A ND2  1 ? 1 
ATOM   440  H H    . ASN   A 1 30  ? -30.215 7.657   -6.676  1 59.581  ? 42  ASN   A H    1 c 1 
ATOM   441  H HA   . ASN   A 1 30  ? -31.133 8.598   -9.147  1 69.648  ? 42  ASN   A HA   1 c 1 
ATOM   442  H HB2  . ASN   A 1 30  ? -32.558 9.083   -6.758  1 71.74   ? 42  ASN   A HB2  1 c 1 
ATOM   443  H HB3  . ASN   A 1 30  ? -33.124 9.119   -8.235  1 75.361  ? 42  ASN   A HB3  1 c 1 
ATOM   444  H HD21 . ASN   A 1 30  ? -34.091 5.92    -8.376  1 86.293  ? 42  ASN   A HD21 1 c 1 
ATOM   445  H HD22 . ASN   A 1 30  ? -33.708 7.112   -9.268  1 86.842  ? 42  ASN   A HD22 1 c 1 
ATOM   446  N N    . GLY   A 1 31  ? -30.671 11.036  -8.857  1 71.437  ? 43  GLY   A N    1 ? 1 
ATOM   447  C CA   . GLY   A 1 31  ? -30.159 12.396  -8.755  1 74.608  ? 43  GLY   A CA   1 ? 1 
ATOM   448  C C    . GLY   A 1 31  ? -28.636 12.439  -8.898  1 71.029  ? 43  GLY   A C    1 ? 1 
ATOM   449  O O    . GLY   A 1 31  ? -28.011 11.396  -9.005  1 70.917  ? 43  GLY   A O    1 ? 1 
ATOM   450  H H    . GLY   A 1 31  ? -31.143 10.805  -9.605  1 74.218  ? 43  GLY   A H    1 c 1 
ATOM   451  H HA2  . GLY   A 1 31  ? -30.571 12.949  -9.46   1 75.72   ? 43  GLY   A HA2  1 c 1 
ATOM   452  H HA3  . GLY   A 1 31  ? -30.419 12.773  -7.882  1 72.581  ? 43  GLY   A HA3  1 c 1 
ATOM   453  N N    . GLU   A 1 32  ? -28.041 13.641  -8.897  1 72.297  ? 44  GLU   A N    1 ? 1 
ATOM   454  C CA   . GLU   A 1 32  ? -26.587 13.748  -8.994  1 69.661  ? 44  GLU   A CA   1 ? 1 
ATOM   455  C C    . GLU   A 1 32  ? -25.952 14.027  -7.619  1 61.249  ? 44  GLU   A C    1 ? 1 
ATOM   456  O O    . GLU   A 1 32  ? -24.748 13.915  -7.494  1 59.442  ? 44  GLU   A O    1 ? 1 
ATOM   457  C CB   . GLU   A 1 32  ? -26.11  14.626  -10.162 1 76.152  ? 44  GLU   A CB   1 ? 1 
ATOM   458  C CG   . GLU   A 1 32  ? -27.044 15.746  -10.611 1 86.128  ? 44  GLU   A CG   1 ? 1 
ATOM   459  C CD   . GLU   A 1 32  ? -26.36  16.72   -11.579 1 97.382  ? 44  GLU   A CD   1 ? 1 
ATOM   460  O OE1  . GLU   A 1 32  ? -26.936 17.772  -11.948 1 88.656  ? 44  GLU   A OE1  1 ? 1 
ATOM   461  O OE2  . GLU   A 1 32  ? -25.202 16.435  -11.969 1 101.676 ? 44  GLU   A OE2  1 ? 1 
ATOM   462  H H    . GLU   A 1 32  ? -28.545 14.401  -8.832  1 72.966  ? 44  GLU   A H    1 c 1 
ATOM   463  H HA   . GLU   A 1 32  ? -26.26  12.85   -9.251  1 69.01   ? 44  GLU   A HA   1 c 1 
ATOM   464  H HB2  . GLU   A 1 32  ? -25.254 15.03   -9.909  1 75.702  ? 44  GLU   A HB2  1 c 1 
ATOM   465  H HB3  . GLU   A 1 32  ? -25.945 14.047  -10.935 1 77.562  ? 44  GLU   A HB3  1 c 1 
ATOM   466  H HG2  . GLU   A 1 32  ? -27.829 15.358  -11.054 1 87.811  ? 44  GLU   A HG2  1 c 1 
ATOM   467  H HG3  . GLU   A 1 32  ? -27.354 16.246  -9.826  1 85.691  ? 44  GLU   A HG3  1 c 1 
ATOM   468  N N    . GLU   A 1 33  ? -26.759 14.293  -6.584  1 57.657  ? 45  GLU   A N    1 ? 1 
ATOM   469  C CA   . GLU   A 1 33  ? -26.304 14.717  -5.278  1 63.814  ? 45  GLU   A CA   1 ? 1 
ATOM   470  C C    . GLU   A 1 33  ? -25.743 13.55   -4.467  1 61.888  ? 45  GLU   A C    1 ? 1 
ATOM   471  O O    . GLU   A 1 33  ? -26.361 12.48   -4.352  1 58.169  ? 45  GLU   A O    1 ? 1 
ATOM   472  C CB   . GLU   A 1 33  ? -27.424 15.347  -4.456  1 70.523  ? 45  GLU   A CB   1 ? 1 
ATOM   473  C CG   . GLU   A 1 33  ? -27.664 16.807  -4.812  1 88.753  ? 45  GLU   A CG   1 ? 1 
ATOM   474  C CD   . GLU   A 1 33  ? -28.43  17.51   -3.715  1 97.142  ? 45  GLU   A CD   1 ? 1 
ATOM   475  O OE1  . GLU   A 1 33  ? -29.18  16.783  -3.023  1 101.461 ? 45  GLU   A OE1  1 ? 1 
ATOM   476  O OE2  . GLU   A 1 33  ? -28.228 18.732  -3.522  1 95.053  ? 45  GLU   A OE2  1 ? 1 
ATOM   477  H H    . GLU   A 1 33  ? -27.659 14.196  -6.707  1 61.643  ? 45  GLU   A H    1 c 1 
ATOM   478  H HA   . GLU   A 1 33  ? -25.589 15.39   -5.405  1 63.256  ? 45  GLU   A HA   1 c 1 
ATOM   479  H HB2  . GLU   A 1 33  ? -28.249 14.836  -4.596  1 73.07   ? 45  GLU   A HB2  1 c 1 
ATOM   480  H HB3  . GLU   A 1 33  ? -27.191 15.284  -3.505  1 71.018  ? 45  GLU   A HB3  1 c 1 
ATOM   481  H HG2  . GLU   A 1 33  ? -26.806 17.261  -4.944  1 85.743  ? 45  GLU   A HG2  1 c 1 
ATOM   482  H HG3  . GLU   A 1 33  ? -28.178 16.862  -5.647  1 88.022  ? 45  GLU   A HG3  1 c 1 
ATOM   483  N N    . THR   A 1 34  ? -24.544 13.794  -3.916  1 51.7    ? 46  THR   A N    1 ? 1 
ATOM   484  C CA   . THR   A 1 34  ? -23.897 12.887  -2.988  1 45.86   ? 46  THR   A CA   1 ? 1 
ATOM   485  C C    . THR   A 1 34  ? -23.771 13.651  -1.673  1 44.145  ? 46  THR   A C    1 ? 1 
ATOM   486  O O    . THR   A 1 34  ? -23.808 14.878  -1.672  1 47.503  ? 46  THR   A O    1 ? 1 
ATOM   487  C CB   . THR   A 1 34  ? -22.522 12.494  -3.511  1 44.223  ? 46  THR   A CB   1 ? 1 
ATOM   488  O OG1  . THR   A 1 34  ? -21.866 13.762  -3.617  1 41.638  ? 46  THR   A OG1  1 ? 1 
ATOM   489  C CG2  . THR   A 1 34  ? -22.54  11.919  -4.909  1 45.803  ? 46  THR   A CG2  1 ? 1 
ATOM   490  H H    . THR   A 1 34  ? -24.11  14.568  -4.134  1 53.33   ? 46  THR   A H    1 c 1 
ATOM   491  H HA   . THR   A 1 34  ? -24.45  12.087  -2.864  1 45.926  ? 46  THR   A HA   1 c 1 
ATOM   492  H HB   . THR   A 1 34  ? -22.045 11.907  -2.878  1 42.204  ? 46  THR   A HB   1 c 1 
ATOM   493  H HG1  . THR   A 1 34  ? -22.272 14.277  -4.16   0 30      ? 46  THR   A HG1  1 c 1 
ATOM   494  H HG21 . THR   A 1 34  ? -21.643 11.637  -5.156  1 45.198  ? 46  THR   A HG21 1 c 1 
ATOM   495  H HG22 . THR   A 1 34  ? -22.849 12.594  -5.536  1 47.298  ? 46  THR   A HG22 1 c 1 
ATOM   496  H HG23 . THR   A 1 34  ? -23.138 11.153  -4.937  1 45.669  ? 46  THR   A HG23 1 c 1 
ATOM   497  N N    . PRO   A 1 35  ? -23.633 12.992  -0.508  1 37.709  ? 47  PRO   A N    1 ? 1 
ATOM   498  C CA   . PRO   A 1 35  ? -23.729 13.708  0.764   1 40.325  ? 47  PRO   A CA   1 ? 1 
ATOM   499  C C    . PRO   A 1 35  ? -22.487 14.549  1.105   1 35.991  ? 47  PRO   A C    1 ? 1 
ATOM   500  O O    . PRO   A 1 35  ? -21.361 14.197  0.754   1 38.736  ? 47  PRO   A O    1 ? 1 
ATOM   501  C CB   . PRO   A 1 35  ? -23.974 12.609  1.801   1 36.335  ? 47  PRO   A CB   1 ? 1 
ATOM   502  C CG   . PRO   A 1 35  ? -23.591 11.328  1.128   1 36.892  ? 47  PRO   A CG   1 ? 1 
ATOM   503  C CD   . PRO   A 1 35  ? -23.579 11.537  -0.344  1 38.702  ? 47  PRO   A CD   1 ? 1 
ATOM   504  H HA   . PRO   A 1 35  ? -24.514 14.295  0.738   1 39.872  ? 47  PRO   A HA   1 c 1 
ATOM   505  H HB2  . PRO   A 1 35  ? -23.431 12.757  2.599   1 36.644  ? 47  PRO   A HB2  1 c 1 
ATOM   506  H HB3  . PRO   A 1 35  ? -24.913 12.59   2.068   1 38.113  ? 47  PRO   A HB3  1 c 1 
ATOM   507  H HG2  . PRO   A 1 35  ? -22.705 11.044  1.429   1 35.556  ? 47  PRO   A HG2  1 c 1 
ATOM   508  H HG3  . PRO   A 1 35  ? -24.229 10.624  1.358   1 36.681  ? 47  PRO   A HG3  1 c 1 
ATOM   509  H HD2  . PRO   A 1 35  ? -22.765 11.176  -0.744  1 37.329  ? 47  PRO   A HD2  1 c 1 
ATOM   510  H HD3  . PRO   A 1 35  ? -24.355 11.117  -0.761  1 38.751  ? 47  PRO   A HD3  1 c 1 
ATOM   511  N N    . MET   A 1 36  ? -22.716 15.581  1.892   1 38.641  ? 48  MET   A N    1 ? 1 
ATOM   512  C CA   . MET   A 1 36  ? -21.679 16.515  2.327   1 37.44   ? 48  MET   A CA   1 ? 1 
ATOM   513  C C    . MET   A 1 36  ? -21.225 16.088  3.712   1 38.358  ? 48  MET   A C    1 ? 1 
ATOM   514  O O    . MET   A 1 36  ? -21.995 15.479  4.446   1 38.877  ? 48  MET   A O    1 ? 1 
ATOM   515  C CB   . MET   A 1 36  ? -22.229 17.945  2.427   1 44.165  ? 48  MET   A CB   1 ? 1 
ATOM   516  C CG   . MET   A 1 36  ? -22.702 18.54   1.125   1 46.369  ? 48  MET   A CG   1 ? 1 
ATOM   517  S SD   . MET   A 1 36  ? -21.353 18.735  -0.058  1 45.687  ? 48  MET   A SD   1 ? 1 
ATOM   518  C CE   . MET   A 1 36  ? -22.281 19.422  -1.429  1 51.277  ? 48  MET   A CE   1 ? 1 
ATOM   519  H H    . MET   A 1 36  ? -23.571 15.725  2.18    1 38.643  ? 48  MET   A H    1 c 1 
ATOM   520  H HA   . MET   A 1 36  ? -20.916 16.48   1.697   1 38.648  ? 48  MET   A HA   1 c 1 
ATOM   521  H HB2  . MET   A 1 36  ? -22.977 17.944  3.062   1 43.52   ? 48  MET   A HB2  1 c 1 
ATOM   522  H HB3  . MET   A 1 36  ? -21.528 18.521  2.798   1 43.548  ? 48  MET   A HB3  1 c 1 
ATOM   523  H HG2  . MET   A 1 36  ? -23.387 17.963  0.733   1 45.891  ? 48  MET   A HG2  1 c 1 
ATOM   524  H HG3  . MET   A 1 36  ? -23.105 19.415  1.294   1 47.612  ? 48  MET   A HG3  1 c 1 
ATOM   525  H HE1  . MET   A 1 36  ? -21.668 19.663  -2.147  1 51.105  ? 48  MET   A HE1  1 c 1 
ATOM   526  H HE2  . MET   A 1 36  ? -22.918 18.759  -1.754  1 50.112  ? 48  MET   A HE2  1 c 1 
ATOM   527  H HE3  . MET   A 1 36  ? -22.763 20.215  -1.131  1 51.797  ? 48  MET   A HE3  1 c 1 
ATOM   528  N N    . ILE   A 1 37  ? -20.017 16.5    4.109   1 36.263  ? 49  ILE   A N    1 ? 1 
ATOM   529  C CA   . ILE   A 1 37  ? -19.608 16.316  5.485   1 36.151  ? 49  ILE   A CA   1 ? 1 
ATOM   530  C C    . ILE   A 1 37  ? -20.61  16.981  6.439   1 36.145  ? 49  ILE   A C    1 ? 1 
ATOM   531  O O    . ILE   A 1 37  ? -20.996 18.127  6.24    1 38.335  ? 49  ILE   A O    1 ? 1 
ATOM   532  C CB   . ILE   A 1 37  ? -18.189 16.842  5.709   1 41.573  ? 49  ILE   A CB   1 ? 1 
ATOM   533  C CG1  . ILE   A 1 37  ? -17.153 16.083  4.822   1 43.473  ? 49  ILE   A CG1  1 ? 1 
ATOM   534  C CG2  . ILE   A 1 37  ? -17.849 16.826  7.2     1 38.783  ? 49  ILE   A CG2  1 ? 1 
ATOM   535  C CD1  . ILE   A 1 37  ? -15.713 16.498  5.019   1 48.342  ? 49  ILE   A CD1  1 ? 1 
ATOM   536  H H    . ILE   A 1 37  ? -19.452 16.911  3.519   1 37.396  ? 49  ILE   A H    1 c 1 
ATOM   537  H HA   . ILE   A 1 37  ? -19.603 15.356  5.668   1 35.359  ? 49  ILE   A HA   1 c 1 
ATOM   538  H HB   . ILE   A 1 37  ? -18.181 17.776  5.421   1 41.862  ? 49  ILE   A HB   1 c 1 
ATOM   539  H HG12 . ILE   A 1 37  ? -17.229 15.125  5.008   1 42.334  ? 49  ILE   A HG12 1 c 1 
ATOM   540  H HG13 . ILE   A 1 37  ? -17.388 16.22   3.882   1 43.805  ? 49  ILE   A HG13 1 c 1 
ATOM   541  H HG21 . ILE   A 1 37  ? -16.92  17.081  7.327   1 40.085  ? 49  ILE   A HG21 1 c 1 
ATOM   542  H HG22 . ILE   A 1 37  ? -17.988 15.932  7.556   1 38.487  ? 49  ILE   A HG22 1 c 1 
ATOM   543  H HG23 . ILE   A 1 37  ? -18.419 17.454  7.674   1 40.805  ? 49  ILE   A HG23 1 c 1 
ATOM   544  H HD11 . ILE   A 1 37  ? -15.652 17.472  5.032   1 48.498  ? 49  ILE   A HD11 1 c 1 
ATOM   545  H HD12 . ILE   A 1 37  ? -15.171 16.15   4.286   1 46.642  ? 49  ILE   A HD12 1 c 1 
ATOM   546  H HD13 . ILE   A 1 37  ? -15.381 16.142  5.864   1 46.498  ? 49  ILE   A HD13 1 c 1 
ATOM   547  N N    . GLY   A 1 38  ? -20.928 16.289  7.551   1 34.189  ? 50  GLY   A N    1 ? 1 
ATOM   548  C CA   . GLY   A 1 38  ? -21.941 16.72   8.495   1 36.066  ? 50  GLY   A CA   1 ? 1 
ATOM   549  C C    . GLY   A 1 38  ? -23.33  16.08   8.274   1 40.001  ? 50  GLY   A C    1 ? 1 
ATOM   550  O O    . GLY   A 1 38  ? -24.203 16.212  9.161   1 40.303  ? 50  GLY   A O    1 ? 1 
ATOM   551  H H    . GLY   A 1 38  ? -20.482 15.511  7.724   1 33.438  ? 50  GLY   A H    1 c 1 
ATOM   552  H HA2  . GLY   A 1 38  ? -21.631 16.502  9.405   1 36.769  ? 50  GLY   A HA2  1 c 1 
ATOM   553  H HA3  . GLY   A 1 38  ? -22.029 17.7    8.441   1 38.24   ? 50  GLY   A HA3  1 c 1 
ATOM   554  N N    . ASP   A 1 39  ? -23.603 15.612  7.047   1 36.601  ? 51  ASP   A N    1 ? 1 
ATOM   555  C CA   . ASP   A 1 39  ? -24.944 15.158  6.675   1 39.361  ? 51  ASP   A CA   1 ? 1 
ATOM   556  C C    . ASP   A 1 39  ? -25.233 13.875  7.468   1 41.539  ? 51  ASP   A C    1 ? 1 
ATOM   557  O O    . ASP   A 1 39  ? -24.311 13.082  7.755   1 35.412  ? 51  ASP   A O    1 ? 1 
ATOM   558  C CB   . ASP   A 1 39  ? -25.088 14.795  5.201   1 36.665  ? 51  ASP   A CB   1 ? 1 
ATOM   559  C CG   . ASP   A 1 39  ? -25.332 15.949  4.228   1 40.575  ? 51  ASP   A CG   1 ? 1 
ATOM   560  O OD1  . ASP   A 1 39  ? -25.435 17.08   4.691   1 36.603  ? 51  ASP   A OD1  1 ? 1 
ATOM   561  O OD2  . ASP   A 1 39  ? -25.34  15.713  2.966   1 39.446  ? 51  ASP   A OD2  1 ? 1 
ATOM   562  H H    . ASP   A 1 39  ? -22.939 15.571  6.421   1 36.874  ? 51  ASP   A H    1 c 1 
ATOM   563  H HA   . ASP   A 1 39  ? -25.597 15.852  6.922   1 40.595  ? 51  ASP   A HA   1 c 1 
ATOM   564  H HB2  . ASP   A 1 39  ? -24.277 14.324  4.916   1 36.365  ? 51  ASP   A HB2  1 c 1 
ATOM   565  H HB3  . ASP   A 1 39  ? -25.838 14.171  5.107   1 37.851  ? 51  ASP   A HB3  1 c 1 
ATOM   566  N N    . LYS   A 1 40  ? -26.519 13.699  7.824   1 45.838  ? 52  LYS   A N    1 ? 1 
ATOM   567  C CA   . LYS   A 1 40  ? -26.968 12.506  8.524   1 42.049  ? 52  LYS   A CA   1 ? 1 
ATOM   568  C C    . LYS   A 1 40  ? -27.219 11.497  7.426   1 38.816  ? 52  LYS   A C    1 ? 1 
ATOM   569  O O    . LYS   A 1 40  ? -27.958 11.775  6.474   1 44.721  ? 52  LYS   A O    1 ? 1 
ATOM   570  C CB   . LYS   A 1 40  ? -28.223 12.803  9.363   1 47.264  ? 52  LYS   A CB   1 ? 1 
ATOM   571  C CG   . LYS   A 1 40  ? -28.561 11.748  10.405  1 50.072  ? 52  LYS   A CG   1 ? 1 
ATOM   572  C CD   . LYS   A 1 40  ? -29.93  11.979  11.021  1 61.099  ? 52  LYS   A CD   1 ? 1 
ATOM   573  C CE   . LYS   A 1 40  ? -30.142 11.172  12.262  1 67.844  ? 52  LYS   A CE   1 ? 1 
ATOM   574  N NZ   . LYS   A 1 40  ? -31.552 11.087  12.629  1 70.889  ? 52  LYS   A NZ   1 ? 1 
ATOM   575  H H    . LYS   A 1 40  ? -27.133 14.345  7.619   1 45.61   ? 52  LYS   A H    1 c 1 
ATOM   576  H HA   . LYS   A 1 40  ? -26.238 12.184  9.112   1 41.716  ? 52  LYS   A HA   1 c 1 
ATOM   577  H HB2  . LYS   A 1 40  ? -28.097 13.661  9.821   1 48.045  ? 52  LYS   A HB2  1 c 1 
ATOM   578  H HB3  . LYS   A 1 40  ? -28.99  12.899  8.759   1 48.07   ? 52  LYS   A HB3  1 c 1 
ATOM   579  H HG2  . LYS   A 1 40  ? -28.541 10.863  9.98    1 50.119  ? 52  LYS   A HG2  1 c 1 
ATOM   580  H HG3  . LYS   A 1 40  ? -27.878 11.767  11.111  1 50.616  ? 52  LYS   A HG3  1 c 1 
ATOM   581  H HD2  . LYS   A 1 40  ? -30.024 12.933  11.241  1 61.421  ? 52  LYS   A HD2  1 c 1 
ATOM   582  H HD3  . LYS   A 1 40  ? -30.621 11.752  10.364  1 60.893  ? 52  LYS   A HD3  1 c 1 
ATOM   583  H HE2  . LYS   A 1 40  ? -29.795 10.274  12.129  1 64.819  ? 52  LYS   A HE2  1 c 1 
ATOM   584  H HE3  . LYS   A 1 40  ? -29.651 11.578  12.999  1 66.552  ? 52  LYS   A HE3  1 c 1 
ATOM   585  H HZ1  . LYS   A 1 40  ? -32.026 10.736  11.941  1 70.861  ? 52  LYS   A HZ1  1 c 1 
ATOM   586  H HZ2  . LYS   A 1 40  ? -31.871 11.914  12.82   1 72.247  ? 52  LYS   A HZ2  1 c 1 
ATOM   587  H HZ3  . LYS   A 1 40  ? -31.648 10.556  13.356  1 71.416  ? 52  LYS   A HZ3  1 c 1 
ATOM   588  N N    . VAL   A 1 41  ? -26.583 10.336  7.532   1 38.006  ? 53  VAL   A N    1 ? 1 
ATOM   589  C CA   . VAL   A 1 41  ? -26.649 9.361   6.454   1 37.911  ? 53  VAL   A CA   1 ? 1 
ATOM   590  C C    . VAL   A 1 41  ? -27.252 8.047   6.962   1 39.767  ? 53  VAL   A C    1 ? 1 
ATOM   591  O O    . VAL   A 1 41  ? -26.877 7.605   8.03    1 35.517  ? 53  VAL   A O    1 ? 1 
ATOM   592  C CB   . VAL   A 1 41  ? -25.232 9.168   5.904   1 38.806  ? 53  VAL   A CB   1 ? 1 
ATOM   593  C CG1  . VAL   A 1 41  ? -25.129 8.021   4.929   1 42.99   ? 53  VAL   A CG1  1 ? 1 
ATOM   594  C CG2  . VAL   A 1 41  ? -24.717 10.453  5.253   1 36.255  ? 53  VAL   A CG2  1 ? 1 
ATOM   595  H H    . VAL   A 1 41  ? -26.102 10.139  8.284   1 37.476  ? 53  VAL   A H    1 c 1 
ATOM   596  H HA   . VAL   A 1 41  ? -27.215 9.714   5.742   1 39.471  ? 53  VAL   A HA   1 c 1 
ATOM   597  H HB   . VAL   A 1 41  ? -24.648 8.964   6.672   1 37.859  ? 53  VAL   A HB   1 c 1 
ATOM   598  H HG11 . VAL   A 1 41  ? -25.92  8.004   4.365   1 42.396  ? 53  VAL   A HG11 1 c 1 
ATOM   599  H HG12 . VAL   A 1 41  ? -25.061 7.182   5.417   1 40.984  ? 53  VAL   A HG12 1 c 1 
ATOM   600  H HG13 . VAL   A 1 41  ? -24.34  8.135   4.374   1 40.58   ? 53  VAL   A HG13 1 c 1 
ATOM   601  H HG21 . VAL   A 1 41  ? -23.821 10.305  4.906   1 36.039  ? 53  VAL   A HG21 1 c 1 
ATOM   602  H HG22 . VAL   A 1 41  ? -24.693 11.166  5.913   1 37.511  ? 53  VAL   A HG22 1 c 1 
ATOM   603  H HG23 . VAL   A 1 41  ? -25.308 10.707  4.524   1 37.891  ? 53  VAL   A HG23 1 c 1 
ATOM   604  N N    . TYR   A 1 42  ? -28.131 7.439   6.14    1 40.433  ? 54  TYR   A N    1 ? 1 
ATOM   605  C CA   . TYR   A 1 42  ? -28.896 6.232   6.472   1 42.211  ? 54  TYR   A CA   1 ? 1 
ATOM   606  C C    . TYR   A 1 42  ? -28.506 5.144   5.487   1 37.384  ? 54  TYR   A C    1 ? 1 
ATOM   607  O O    . TYR   A 1 42  ? -28.713 5.332   4.306   1 39.324  ? 54  TYR   A O    1 ? 1 
ATOM   608  C CB   . TYR   A 1 42  ? -30.416 6.451   6.351   1 49.091  ? 54  TYR   A CB   1 ? 1 
ATOM   609  C CG   . TYR   A 1 42  ? -30.963 7.534   7.277   1 51.566  ? 54  TYR   A CG   1 ? 1 
ATOM   610  C CD1  . TYR   A 1 42  ? -30.906 8.879   6.91    1 53.67   ? 54  TYR   A CD1  1 ? 1 
ATOM   611  C CD2  . TYR   A 1 42  ? -31.525 7.222   8.512   1 52.432  ? 54  TYR   A CD2  1 ? 1 
ATOM   612  C CE1  . TYR   A 1 42  ? -31.385 9.88    7.739   1 57.579  ? 54  TYR   A CE1  1 ? 1 
ATOM   613  C CE2  . TYR   A 1 42  ? -32.035 8.211   9.338   1 59.619  ? 54  TYR   A CE2  1 ? 1 
ATOM   614  C CZ   . TYR   A 1 42  ? -31.945 9.539   8.96    1 61.309  ? 54  TYR   A CZ   1 ? 1 
ATOM   615  O OH   . TYR   A 1 42  ? -32.414 10.501  9.786   1 64.856  ? 54  TYR   A OH   1 ? 1 
ATOM   616  H H    . TYR   A 1 42  ? -28.259 7.804   5.312   1 40.955  ? 54  TYR   A H    1 c 1 
ATOM   617  H HA   . TYR   A 1 42  ? -28.675 5.941   7.396   1 41.652  ? 54  TYR   A HA   1 c 1 
ATOM   618  H HB2  . TYR   A 1 42  ? -30.624 6.693   5.422   1 48.606  ? 54  TYR   A HB2  1 c 1 
ATOM   619  H HB3  . TYR   A 1 42  ? -30.87  5.602   6.551   1 49.047  ? 54  TYR   A HB3  1 c 1 
ATOM   620  H HD1  . TYR   A 1 42  ? -30.517 9.115   6.083   1 52.998  ? 54  TYR   A HD1  1 c 1 
ATOM   621  H HD2  . TYR   A 1 42  ? -31.588 6.319   8.778   1 53.883  ? 54  TYR   A HD2  1 c 1 
ATOM   622  H HE1  . TYR   A 1 42  ? -31.332 10.783  7.477   1 57.81   ? 54  TYR   A HE1  1 c 1 
ATOM   623  H HE2  . TYR   A 1 42  ? -32.403 7.984   10.175  1 59.734  ? 54  TYR   A HE2  1 c 1 
ATOM   624  H HH   . TYR   A 1 42  ? -32.217 11.434  9.263   0 30      ? 54  TYR   A HH   1 c 1 
ATOM   625  N N    . VAL   A 1 43  ? -28.022 3.984   5.968   1 38.177  ? 55  VAL   A N    1 ? 1 
ATOM   626  C CA   . VAL   A 1 43  ? -27.609 2.912   5.071   1 36.926  ? 55  VAL   A CA   1 ? 1 
ATOM   627  C C    . VAL   A 1 43  ? -28.095 1.55    5.577   1 39.655  ? 55  VAL   A C    1 ? 1 
ATOM   628  O O    . VAL   A 1 43  ? -28.409 1.39    6.747   1 40.423  ? 55  VAL   A O    1 ? 1 
ATOM   629  C CB   . VAL   A 1 43  ? -26.078 2.85    4.875   1 36.321  ? 55  VAL   A CB   1 ? 1 
ATOM   630  C CG1  . VAL   A 1 43  ? -25.497 4.155   4.314   1 33.283  ? 55  VAL   A CG1  1 ? 1 
ATOM   631  C CG2  . VAL   A 1 43  ? -25.336 2.41    6.123   1 34.813  ? 55  VAL   A CG2  1 ? 1 
ATOM   632  H H    . VAL   A 1 43  ? -27.949 3.86    6.871   1 37.627  ? 55  VAL   A H    1 c 1 
ATOM   633  H HA   . VAL   A 1 43  ? -28.019 3.073   4.202   1 38.468  ? 55  VAL   A HA   1 c 1 
ATOM   634  H HB   . VAL   A 1 43  ? -25.912 2.155   4.195   1 35.484  ? 55  VAL   A HB   1 c 1 
ATOM   635  H HG11 . VAL   A 1 43  ? -25.64  4.875   4.951   1 34.05   ? 55  VAL   A HG11 1 c 1 
ATOM   636  H HG12 . VAL   A 1 43  ? -25.937 4.373   3.476   1 34.721  ? 55  VAL   A HG12 1 c 1 
ATOM   637  H HG13 . VAL   A 1 43  ? -24.543 4.046   4.159   1 32.774  ? 55  VAL   A HG13 1 c 1 
ATOM   638  H HG21 . VAL   A 1 43  ? -24.381 2.519   5.985   1 33.705  ? 55  VAL   A HG21 1 c 1 
ATOM   639  H HG22 . VAL   A 1 43  ? -25.53  1.476   6.308   1 35.399  ? 55  VAL   A HG22 1 c 1 
ATOM   640  H HG23 . VAL   A 1 43  ? -25.617 2.954   6.877   1 35.312  ? 55  VAL   A HG23 1 c 1 
ATOM   641  N N    . HIS   A 1 44  ? -28.163 0.585   4.648   1 39.647  ? 56  HIS   A N    1 ? 1 
ATOM   642  C CA   . HIS   A 1 44  ? -28.053 -0.827  4.947   1 42.516  ? 56  HIS   A CA   1 ? 1 
ATOM   643  C C    . HIS   A 1 44  ? -26.715 -1.309  4.419   1 37.493  ? 56  HIS   A C    1 ? 1 
ATOM   644  O O    . HIS   A 1 44  ? -26.267 -0.828  3.376   1 37.424  ? 56  HIS   A O    1 ? 1 
ATOM   645  C CB   . HIS   A 1 44  ? -29.213 -1.634  4.323   1 46.648  ? 56  HIS   A CB   1 ? 1 
ATOM   646  C CG   . HIS   A 1 44  ? -30.409 -1.668  5.195   1 51.333  ? 56  HIS   A CG   1 ? 1 
ATOM   647  N ND1  . HIS   A 1 44  ? -30.327 -2.103  6.501   1 52.341  ? 56  HIS   A ND1  1 ? 1 
ATOM   648  C CD2  . HIS   A 1 44  ? -31.69  -1.32   4.985   1 53.598  ? 56  HIS   A CD2  1 ? 1 
ATOM   649  C CE1  . HIS   A 1 44  ? -31.534 -2.015  7.049   1 54.371  ? 56  HIS   A CE1  1 ? 1 
ATOM   650  N NE2  . HIS   A 1 44  ? -32.347 -1.483  6.169   1 52.554  ? 56  HIS   A NE2  1 ? 1 
ATOM   651  H H    . HIS   A 1 44  ? -28.287 0.831   3.777   1 40.636  ? 56  HIS   A H    1 c 1 
ATOM   652  H HA   . HIS   A 1 44  ? -28.06  -0.941  5.927   1 41.675  ? 56  HIS   A HA   1 c 1 
ATOM   653  H HB2  . HIS   A 1 44  ? -29.455 -1.23   3.462   1 47.295  ? 56  HIS   A HB2  1 c 1 
ATOM   654  H HB3  . HIS   A 1 44  ? -28.91  -2.554  4.159   1 46.962  ? 56  HIS   A HB3  1 c 1 
ATOM   655  H HD1  . HIS   A 1 44  ? -29.562 -2.391  6.882   0 30      ? 56  HIS   A HD1  1 c 1 
ATOM   656  H HD2  . HIS   A 1 44  ? -32.051 -0.95   4.204   1 53.752  ? 56  HIS   A HD2  1 c 1 
ATOM   657  H HE1  . HIS   A 1 44  ? -31.75  -2.241  7.937   1 54.489  ? 56  HIS   A HE1  1 c 1 
ATOM   658  H HE2  . HIS   A 1 44  ? -33.193 -1.395  6.398   0 30      ? 56  HIS   A HE2  1 c 1 
ATOM   659  N N    . TYR   A 1 45  ? -26.12  -2.282  5.123   1 38.224  ? 57  TYR   A N    1 ? 1 
ATOM   660  C CA   . TYR   A 1 45  ? -24.817 -2.818  4.752   1 36.54   ? 57  TYR   A CA   1 ? 1 
ATOM   661  C C    . TYR   A 1 45  ? -24.677 -4.285  5.212   1 39.249  ? 57  TYR   A C    1 ? 1 
ATOM   662  O O    . TYR   A 1 45  ? -25.27  -4.714  6.204   1 36.838  ? 57  TYR   A O    1 ? 1 
ATOM   663  C CB   . TYR   A 1 45  ? -23.673 -1.951  5.309   1 35.797  ? 57  TYR   A CB   1 ? 1 
ATOM   664  C CG   . TYR   A 1 45  ? -23.421 -2.147  6.794   1 33.021  ? 57  TYR   A CG   1 ? 1 
ATOM   665  C CD1  . TYR   A 1 45  ? -22.568 -3.124  7.24    1 31.489  ? 57  TYR   A CD1  1 ? 1 
ATOM   666  C CD2  . TYR   A 1 45  ? -24.144 -1.433  7.753   1 35.014  ? 57  TYR   A CD2  1 ? 1 
ATOM   667  C CE1  . TYR   A 1 45  ? -22.387 -3.368  8.585   1 32.309  ? 57  TYR   A CE1  1 ? 1 
ATOM   668  C CE2  . TYR   A 1 45  ? -23.969 -1.66   9.115   1 34.534  ? 57  TYR   A CE2  1 ? 1 
ATOM   669  C CZ   . TYR   A 1 45  ? -23.088 -2.625  9.534   1 36.044  ? 57  TYR   A CZ   1 ? 1 
ATOM   670  O OH   . TYR   A 1 45  ? -22.895 -2.866  10.855  1 32.164  ? 57  TYR   A OH   1 ? 1 
ATOM   671  H H    . TYR   A 1 45  ? -26.541 -2.622  5.859   1 38.718  ? 57  TYR   A H    1 c 1 
ATOM   672  H HA   . TYR   A 1 45  ? -24.757 -2.802  3.763   1 37.35   ? 57  TYR   A HA   1 c 1 
ATOM   673  H HB2  . TYR   A 1 45  ? -22.85  -2.165  4.816   1 34.145  ? 57  TYR   A HB2  1 c 1 
ATOM   674  H HB3  . TYR   A 1 45  ? -23.887 -1.006  5.144   1 34.672  ? 57  TYR   A HB3  1 c 1 
ATOM   675  H HD1  . TYR   A 1 45  ? -22.091 -3.641  6.611   1 31.762  ? 57  TYR   A HD1  1 c 1 
ATOM   676  H HD2  . TYR   A 1 45  ? -24.756 -0.772  7.471   1 34.943  ? 57  TYR   A HD2  1 c 1 
ATOM   677  H HE1  . TYR   A 1 45  ? -21.775 -4.026  8.864   1 32.746  ? 57  TYR   A HE1  1 c 1 
ATOM   678  H HE2  . TYR   A 1 45  ? -24.448 -1.151  9.747   1 35.713  ? 57  TYR   A HE2  1 c 1 
ATOM   679  H HH   . TYR   A 1 45  ? -22.315 -3.518  10.982  0 30      ? 57  TYR   A HH   1 c 1 
ATOM   680  N N    . LYS   A 1 46  ? -23.791 -4.996  4.505   1 37.603  ? 58  LYS   A N    1 ? 1 
ATOM   681  C CA   . LYS   A 1 46  ? -23.204 -6.244  4.954   1 39.14   ? 58  LYS   A CA   1 ? 1 
ATOM   682  C C    . LYS   A 1 46  ? -21.692 -6.086  4.868   1 38.902  ? 58  LYS   A C    1 ? 1 
ATOM   683  O O    . LYS   A 1 46  ? -21.165 -5.452  3.952   1 39.813  ? 58  LYS   A O    1 ? 1 
ATOM   684  C CB   . LYS   A 1 46  ? -23.641 -7.453  4.125   1 44.3    ? 58  LYS   A CB   1 ? 1 
ATOM   685  C CG   . LYS   A 1 46  ? -25.058 -7.273  3.642   1 49.814  ? 58  LYS   A CG   1 ? 1 
ATOM   686  C CD   . LYS   A 1 46  ? -25.923 -8.517  3.372   1 56.649  ? 58  LYS   A CD   1 ? 1 
ATOM   687  C CE   . LYS   A 1 46  ? -25.631 -9.17   2.082   1 54.458  ? 58  LYS   A CE   1 ? 1 
ATOM   688  N NZ   . LYS   A 1 46  ? -26.671 -10.141 1.799   1 53.13   ? 58  LYS   A NZ   1 ? 1 
ATOM   689  H H    . LYS   A 1 46  ? -23.541 -4.679  3.685   1 37.842  ? 58  LYS   A H    1 c 1 
ATOM   690  H HA   . LYS   A 1 46  ? -23.46  -6.39   5.898   1 39.982  ? 58  LYS   A HA   1 c 1 
ATOM   691  H HB2  . LYS   A 1 46  ? -23.048 -7.559  3.35    1 44.014  ? 58  LYS   A HB2  1 c 1 
ATOM   692  H HB3  . LYS   A 1 46  ? -23.586 -8.266  4.67    1 45.048  ? 58  LYS   A HB3  1 c 1 
ATOM   693  H HG2  . LYS   A 1 46  ? -25.53  -6.725  4.305   1 49.467  ? 58  LYS   A HG2  1 c 1 
ATOM   694  H HG3  . LYS   A 1 46  ? -25.024 -6.743  2.816   1 49.413  ? 58  LYS   A HG3  1 c 1 
ATOM   695  H HD2  . LYS   A 1 46  ? -25.781 -9.165  4.096   1 55.282  ? 58  LYS   A HD2  1 c 1 
ATOM   696  H HD3  . LYS   A 1 46  ? -26.869 -8.254  3.389   1 56.111  ? 58  LYS   A HD3  1 c 1 
ATOM   697  H HE2  . LYS   A 1 46  ? -25.603 -8.508  1.368   1 53.537  ? 58  LYS   A HE2  1 c 1 
ATOM   698  H HE3  . LYS   A 1 46  ? -24.769 -9.622  2.123   1 53.279  ? 58  LYS   A HE3  1 c 1 
ATOM   699  H HZ1  . LYS   A 1 46  ? -27.442 -9.712  1.593   1 55.382  ? 58  LYS   A HZ1  1 c 1 
ATOM   700  H HZ2  . LYS   A 1 46  ? -26.808 -10.667 2.523   1 55.108  ? 58  LYS   A HZ2  1 c 1 
ATOM   701  H HZ3  . LYS   A 1 46  ? -26.424 -10.659 1.098   1 55.362  ? 58  LYS   A HZ3  1 c 1 
ATOM   702  N N    . GLY   A 1 47  ? -20.996 -6.619  5.867   1 34.371  ? 59  GLY   A N    1 ? 1 
ATOM   703  C CA   . GLY   A 1 47  ? -19.562 -6.467  5.89    1 36.786  ? 59  GLY   A CA   1 ? 1 
ATOM   704  C C    . GLY   A 1 47  ? -18.94  -7.758  6.378   1 33.257  ? 59  GLY   A C    1 ? 1 
ATOM   705  O O    . GLY   A 1 47  ? -19.585 -8.498  7.122   1 32.895  ? 59  GLY   A O    1 ? 1 
ATOM   706  H H    . GLY   A 1 47  ? -21.414 -7.078  6.538   1 36.963  ? 59  GLY   A H    1 c 1 
ATOM   707  H HA2  . GLY   A 1 47  ? -19.235 -6.256  4.987   1 34.531  ? 59  GLY   A HA2  1 c 1 
ATOM   708  H HA3  . GLY   A 1 47  ? -19.318 -5.725  6.492   1 33.922  ? 59  GLY   A HA3  1 c 1 
ATOM   709  N N    . LYS   A 1 48  ? -17.684 -7.968  5.98    1 29.188  ? 60  LYS   A N    1 ? 1 
ATOM   710  C CA   . LYS   A 1 48  ? -16.914 -9.114  6.351   1 29.505  ? 60  LYS   A CA   1 ? 1 
ATOM   711  C C    . LYS   A 1 48  ? -15.425 -8.808  6.254   1 31.536  ? 60  LYS   A C    1 ? 1 
ATOM   712  O O    . LYS   A 1 48  ? -15.013 -7.915  5.518   1 34.314  ? 60  LYS   A O    1 ? 1 
ATOM   713  C CB   . LYS   A 1 48  ? -17.316 -10.329 5.513   1 35.222  ? 60  LYS   A CB   1 ? 1 
ATOM   714  C CG   . LYS   A 1 48  ? -16.958 -10.263 4.054   1 38.528  ? 60  LYS   A CG   1 ? 1 
ATOM   715  C CD   . LYS   A 1 48  ? -17.168 -11.615 3.359   1 43.194  ? 60  LYS   A CD   1 ? 1 
ATOM   716  C CE   . LYS   A 1 48  ? -17.243 -11.462 1.868   1 47.91   ? 60  LYS   A CE   1 ? 1 
ATOM   717  N NZ   . LYS   A 1 48  ? -17.096 -12.825 1.311   1 55.211  ? 60  LYS   A NZ   1 ? 1 
ATOM   718  H H    . LYS   A 1 48  ? -17.292 -7.345  5.438   1 29.185  ? 60  LYS   A H    1 c 1 
ATOM   719  H HA   . LYS   A 1 48  ? -17.12  -9.319  7.297   1 31.194  ? 60  LYS   A HA   1 c 1 
ATOM   720  H HB2  . LYS   A 1 48  ? -16.892 -11.125 5.897   1 35.681  ? 60  LYS   A HB2  1 c 1 
ATOM   721  H HB3  . LYS   A 1 48  ? -18.287 -10.448 5.585   1 35.808  ? 60  LYS   A HB3  1 c 1 
ATOM   722  H HG2  . LYS   A 1 48  ? -17.516 -9.583  3.619   1 37.941  ? 60  LYS   A HG2  1 c 1 
ATOM   723  H HG3  . LYS   A 1 48  ? -16.018 -9.996  3.965   1 37.505  ? 60  LYS   A HG3  1 c 1 
ATOM   724  H HD2  . LYS   A 1 48  ? -16.424 -12.214 3.585   1 43.927  ? 60  LYS   A HD2  1 c 1 
ATOM   725  H HD3  . LYS   A 1 48  ? -18.001 -12.022 3.684   1 44.444  ? 60  LYS   A HD3  1 c 1 
ATOM   726  H HE2  . LYS   A 1 48  ? -18.103 -11.088 1.603   1 48.208  ? 60  LYS   A HE2  1 c 1 
ATOM   727  H HE3  . LYS   A 1 48  ? -16.526 -10.89  1.542   1 47.056  ? 60  LYS   A HE3  1 c 1 
ATOM   728  H HZ1  . LYS   A 1 48  ? -17.652 -13.399 1.739   1 54.507  ? 60  LYS   A HZ1  1 c 1 
ATOM   729  H HZ2  . LYS   A 1 48  ? -16.241 -13.107 1.413   1 53.46   ? 60  LYS   A HZ2  1 c 1 
ATOM   730  H HZ3  . LYS   A 1 48  ? -17.302 -12.817 0.429   1 54.465  ? 60  LYS   A HZ3  1 c 1 
ATOM   731  N N    . LEU   A 1 49  ? -14.649 -9.635  6.967   1 31.029  ? 61  LEU   A N    1 ? 1 
ATOM   732  C CA   . LEU   A 1 49  ? -13.215 -9.707  6.756   1 37.373  ? 61  LEU   A CA   1 ? 1 
ATOM   733  C C    . LEU   A 1 49  ? -13.027 -10.349 5.393   1 44.937  ? 61  LEU   A C    1 ? 1 
ATOM   734  O O    . LEU   A 1 49  ? -13.846 -11.163 4.975   1 38.346  ? 61  LEU   A O    1 ? 1 
ATOM   735  C CB   . LEU   A 1 49  ? -12.518 -10.516 7.845   1 37.328  ? 61  LEU   A CB   1 ? 1 
ATOM   736  C CG   . LEU   A 1 49  ? -12.775 -10.062 9.288   1 41.003  ? 61  LEU   A CG   1 ? 1 
ATOM   737  C CD1  . LEU   A 1 49  ? -12.075 -10.999 10.319  1 48.013  ? 61  LEU   A CD1  1 ? 1 
ATOM   738  C CD2  . LEU   A 1 49  ? -12.338 -8.619  9.434   1 43.99   ? 61  LEU   A CD2  1 ? 1 
ATOM   739  H H    . LEU   A 1 49  ? -15.03  -10.177 7.596   1 33.438  ? 61  LEU   A H    1 c 1 
ATOM   740  H HA   . LEU   A 1 49  ? -12.847 -8.787  6.736   1 35.917  ? 61  LEU   A HA   1 c 1 
ATOM   741  H HB2  . LEU   A 1 49  ? -12.802 -11.455 7.76    1 39.597  ? 61  LEU   A HB2  1 c 1 
ATOM   742  H HB3  . LEU   A 1 49  ? -11.548 -10.483 7.679   1 38.412  ? 61  LEU   A HB3  1 c 1 
ATOM   743  H HG   . LEU   A 1 49  ? -13.752 -10.104 9.455   1 41.98   ? 61  LEU   A HG   1 c 1 
ATOM   744  H HD11 . LEU   A 1 49  ? -12.38  -11.912 10.188  1 47.381  ? 61  LEU   A HD11 1 c 1 
ATOM   745  H HD12 . LEU   A 1 49  ? -12.296 -10.712 11.221  1 46.319  ? 61  LEU   A HD12 1 c 1 
ATOM   746  H HD13 . LEU   A 1 49  ? -11.112 -10.958 10.194  1 46.279  ? 61  LEU   A HD13 1 c 1 
ATOM   747  H HD21 . LEU   A 1 49  ? -12.966 -8.041  8.97    1 41.789  ? 61  LEU   A HD21 1 c 1 
ATOM   748  H HD22 . LEU   A 1 49  ? -11.451 -8.507  9.051   1 42.414  ? 61  LEU   A HD22 1 c 1 
ATOM   749  H HD23 . LEU   A 1 49  ? -12.316 -8.38   10.376  1 42.644  ? 61  LEU   A HD23 1 c 1 
ATOM   750  N N    . SER   A 1 50  ? -11.988 -9.971  4.658   1 50.301  ? 62  SER   A N    1 ? 1 
ATOM   751  C CA   . SER   A 1 50  ? -11.865 -10.51  3.304   1 57.218  ? 62  SER   A CA   1 ? 1 
ATOM   752  C C    . SER   A 1 50  ? -11.683 -12.036 3.339   1 55.724  ? 62  SER   A C    1 ? 1 
ATOM   753  O O    . SER   A 1 50  ? -12.068 -12.707 2.398   1 61.292  ? 62  SER   A O    1 ? 1 
ATOM   754  C CB   . SER   A 1 50  ? -10.751 -9.817  2.544   1 52.982  ? 62  SER   A CB   1 ? 1 
ATOM   755  O OG   . SER   A 1 50  ? -9.536  -9.99   3.253   1 51.086  ? 62  SER   A OG   1 ? 1 
ATOM   756  H H    . SER   A 1 50  ? -11.36  -9.39   4.982   1 49.151  ? 62  SER   A H    1 c 1 
ATOM   757  H HA   . SER   A 1 50  ? -12.714 -10.321 2.829   1 54.504  ? 62  SER   A HA   1 c 1 
ATOM   758  H HB2  . SER   A 1 50  ? -10.672 -10.203 1.651   1 54.434  ? 62  SER   A HB2  1 c 1 
ATOM   759  H HB3  . SER   A 1 50  ? -10.952 -8.865  2.459   1 52.313  ? 62  SER   A HB3  1 c 1 
ATOM   760  H HG   . SER   A 1 50  ? -8.632  -9.961  3.256   0 30      ? 62  SER   A HG   1 c 1 
ATOM   761  N N    . ASN   A 1 51  ? -11.084 -12.557 4.427   1 62.24   ? 63  ASN   A N    1 ? 1 
ATOM   762  C CA   . ASN   A 1 51  ? -11.026 -13.975 4.788   1 66.172  ? 63  ASN   A CA   1 ? 1 
ATOM   763  C C    . ASN   A 1 51  ? -12.407 -14.617 5.015   1 72.39   ? 63  ASN   A C    1 ? 1 
ATOM   764  O O    . ASN   A 1 51  ? -12.529 -15.838 5.039   1 68.913  ? 63  ASN   A O    1 ? 1 
ATOM   765  C CB   . ASN   A 1 51  ? -10.219 -14.165 6.071   1 57.037  ? 63  ASN   A CB   1 ? 1 
ATOM   766  H H    . ASN   A 1 51  ? -10.663 -11.968 4.986   1 59.958  ? 63  ASN   A H    1 c 1 
ATOM   767  H HA   . ASN   A 1 51  ? -10.565 -14.461 4.068   1 65.972  ? 63  ASN   A HA   1 c 1 
ATOM   768  H HB2  . ASN   A 1 51  ? -9.275  -14.215 5.552   0 30      ? 63  ASN   A HB2  1 c 1 
ATOM   769  H HB3  . ASN   A 1 51  ? -10.725 -14.487 6.664   0 30      ? 63  ASN   A HB3  1 c 1 
ATOM   770  N N    . GLY   A 1 52  ? -13.437 -13.801 5.273   1 74.57   ? 64  GLY   A N    1 ? 1 
ATOM   771  C CA   . GLY   A 1 52  ? -14.806 -14.233 5.542   1 74.806  ? 64  GLY   A CA   1 ? 1 
ATOM   772  C C    . GLY   A 1 52  ? -15.037 -14.816 6.942   1 71.162  ? 64  GLY   A C    1 ? 1 
ATOM   773  O O    . GLY   A 1 52  ? -16.003 -15.548 7.124   1 80.516  ? 64  GLY   A O    1 ? 1 
ATOM   774  H H    . GLY   A 1 52  ? -13.271 -12.904 5.297   1 71.71   ? 64  GLY   A H    1 c 1 
ATOM   775  H HA2  . GLY   A 1 52  ? -15.406 -13.461 5.417   1 72.982  ? 64  GLY   A HA2  1 c 1 
ATOM   776  H HA3  . GLY   A 1 52  ? -15.056 -14.91  4.87    1 75.37   ? 64  GLY   A HA3  1 c 1 
ATOM   777  N N    . LYS   A 1 53  ? -14.183 -14.516 7.932   1 67.33   ? 65  LYS   A N    1 ? 1 
ATOM   778  C CA   . LYS   A 1 53  ? -14.224 -15.229 9.213   1 65.717  ? 65  LYS   A CA   1 ? 1 
ATOM   779  C C    . LYS   A 1 53  ? -15.179 -14.553 10.237  1 62.982  ? 65  LYS   A C    1 ? 1 
ATOM   780  O O    . LYS   A 1 53  ? -15.578 -15.15  11.258  1 52.94   ? 65  LYS   A O    1 ? 1 
ATOM   781  C CB   . LYS   A 1 53  ? -12.783 -15.537 9.661   1 62.698  ? 65  LYS   A CB   1 ? 1 
ATOM   782  H H    . LYS   A 1 53  ? -13.571 -13.847 7.815   1 65.997  ? 65  LYS   A H    1 c 1 
ATOM   783  H HA   . LYS   A 1 53  ? -14.612 -16.122 9.028   1 66.97   ? 65  LYS   A HA   1 c 1 
ATOM   784  H HB2  . LYS   A 1 53  ? -12.196 -15.2   9.019   0 30      ? 65  LYS   A HB2  1 c 1 
ATOM   785  H HB3  . LYS   A 1 53  ? -12.891 -15.525 10.712  0 30      ? 65  LYS   A HB3  1 c 1 
ATOM   786  N N    . LYS   A 1 54  ? -15.631 -13.337 9.921   1 47.392  ? 66  LYS   A N    1 ? 1 
ATOM   787  C CA   . LYS   A 1 54  ? -16.516 -12.522 10.733  1 46.701  ? 66  LYS   A CA   1 ? 1 
ATOM   788  C C    . LYS   A 1 54  ? -17.354 -11.761 9.708   1 51.16   ? 66  LYS   A C    1 ? 1 
ATOM   789  O O    . LYS   A 1 54  ? -16.75  -11.247 8.754   1 49.867  ? 66  LYS   A O    1 ? 1 
ATOM   790  C CB   . LYS   A 1 54  ? -15.684 -11.568 11.604  1 39.956  ? 66  LYS   A CB   1 ? 1 
ATOM   791  H H    . LYS   A 1 54  ? -15.35  -12.981 9.128   1 49.71   ? 66  LYS   A H    1 c 1 
ATOM   792  H HA   . LYS   A 1 54  ? -17.096 -13.108 11.283  1 48.105  ? 66  LYS   A HA   1 c 1 
ATOM   793  H HB2  . LYS   A 1 54  ? -14.777 -11.7   11.431  0 30      ? 66  LYS   A HB2  1 c 1 
ATOM   794  H HB3  . LYS   A 1 54  ? -16.373 -11.017 12.094  0 30      ? 66  LYS   A HB3  1 c 1 
ATOM   795  N N    . PHE   A 1 55  ? -18.685 -11.802 9.864   1 45.375  ? 67  PHE   A N    1 ? 1 
ATOM   796  C CA   . PHE   A 1 55  ? -19.699 -11.262 8.969   1 44.56   ? 67  PHE   A CA   1 ? 1 
ATOM   797  C C    . PHE   A 1 55  ? -20.704 -10.421 9.764   1 43.709  ? 67  PHE   A C    1 ? 1 
ATOM   798  O O    . PHE   A 1 55  ? -21.189 -10.892 10.77   1 48.309  ? 67  PHE   A O    1 ? 1 
ATOM   799  C CB   . PHE   A 1 55  ? -20.373 -12.475 8.296   1 47.73   ? 67  PHE   A CB   1 ? 1 
ATOM   800  C CG   . PHE   A 1 55  ? -21.272 -12.092 7.114   1 53.392  ? 67  PHE   A CG   1 ? 1 
ATOM   801  C CD1  . PHE   A 1 55  ? -22.636 -11.826 7.295   1 59.919  ? 67  PHE   A CD1  1 ? 1 
ATOM   802  C CD2  . PHE   A 1 55  ? -20.757 -11.969 5.822   1 62.703  ? 67  PHE   A CD2  1 ? 1 
ATOM   803  C CE1  . PHE   A 1 55  ? -23.461 -11.452 6.229   1 59.997  ? 67  PHE   A CE1  1 ? 1 
ATOM   804  C CE2  . PHE   A 1 55  ? -21.581 -11.593 4.748   1 68.344  ? 67  PHE   A CE2  1 ? 1 
ATOM   805  C CZ   . PHE   A 1 55  ? -22.935 -11.35  4.954   1 63.482  ? 67  PHE   A CZ   1 ? 1 
ATOM   806  H H    . PHE   A 1 55  ? -18.989 -12.215 10.62   1 47.806  ? 67  PHE   A H    1 c 1 
ATOM   807  H HA   . PHE   A 1 55  ? -19.264 -10.699 8.278   1 43.402  ? 67  PHE   A HA   1 c 1 
ATOM   808  H HB2  . PHE   A 1 55  ? -19.672 -13.088 7.979   1 48.895  ? 67  PHE   A HB2  1 c 1 
ATOM   809  H HB3  . PHE   A 1 55  ? -20.912 -12.948 8.968   1 50.073  ? 67  PHE   A HB3  1 c 1 
ATOM   810  H HD1  . PHE   A 1 55  ? -23.006 -11.895 8.161   1 59.209  ? 67  PHE   A HD1  1 c 1 
ATOM   811  H HD2  . PHE   A 1 55  ? -19.84  -12.137 5.671   1 60.222  ? 67  PHE   A HD2  1 c 1 
ATOM   812  H HE1  . PHE   A 1 55  ? -24.378 -11.288 6.377   1 62.095  ? 67  PHE   A HE1  1 c 1 
ATOM   813  H HE2  . PHE   A 1 55  ? -21.218 -11.526 3.879   1 65.266  ? 67  PHE   A HE2  1 c 1 
ATOM   814  H HZ   . PHE   A 1 55  ? -23.488 -11.101 4.231   1 64.311  ? 67  PHE   A HZ   1 c 1 
ATOM   815  N N    . ASP   A 1 56  ? -21.055 -9.21   9.313   1 39.28   ? 68  ASP   A N    1 ? 1 
ATOM   816  C CA   . ASP   A 1 56  ? -21.875 -8.279  10.068  1 39.844  ? 68  ASP   A CA   1 ? 1 
ATOM   817  C C    . ASP   A 1 56  ? -22.869 -7.638  9.11    1 42.899  ? 68  ASP   A C    1 ? 1 
ATOM   818  O O    . ASP   A 1 56  ? -22.508 -7.262  7.999   1 43.778  ? 68  ASP   A O    1 ? 1 
ATOM   819  C CB   . ASP   A 1 56  ? -21.058 -7.203  10.772  1 37.565  ? 68  ASP   A CB   1 ? 1 
ATOM   820  C CG   . ASP   A 1 56  ? -21.868 -6.039  11.333  1 39.33   ? 68  ASP   A CG   1 ? 1 
ATOM   821  O OD1  . ASP   A 1 56  ? -22.984 -6.268  11.836  1 39.034  ? 68  ASP   A OD1  1 ? 1 
ATOM   822  O OD2  . ASP   A 1 56  ? -21.416 -4.874  11.197  1 40.909  ? 68  ASP   A OD2  1 ? 1 
ATOM   823  H H    . ASP   A 1 56  ? -20.762 -8.953  8.486   1 39.369  ? 68  ASP   A H    1 c 1 
ATOM   824  H HA   . ASP   A 1 56  ? -22.374 -8.783  10.75   1 41.663  ? 68  ASP   A HA   1 c 1 
ATOM   825  H HB2  . ASP   A 1 56  ? -20.565 -7.616  11.511  1 38.406  ? 68  ASP   A HB2  1 c 1 
ATOM   826  H HB3  . ASP   A 1 56  ? -20.404 -6.842  10.137  1 36.835  ? 68  ASP   A HB3  1 c 1 
ATOM   827  N N    . SER   A 1 57  ? -24.119 -7.512  9.559   1 42.92   ? 69  SER   A N    1 ? 1 
ATOM   828  C CA   . SER   A 1 57  ? -25.203 -7.031  8.717   1 48.661  ? 69  SER   A CA   1 ? 1 
ATOM   829  C C    . SER   A 1 57  ? -26.169 -6.127  9.493   1 51.224  ? 69  SER   A C    1 ? 1 
ATOM   830  O O    . SER   A 1 57  ? -26.786 -6.546  10.485  1 52.273  ? 69  SER   A O    1 ? 1 
ATOM   831  C CB   . SER   A 1 57  ? -25.969 -8.213  8.104   1 55.693  ? 69  SER   A CB   1 ? 1 
ATOM   832  O OG   . SER   A 1 57  ? -26.835 -7.734  7.094   1 62.182  ? 69  SER   A OG   1 ? 1 
ATOM   833  H H    . SER   A 1 57  ? -24.305 -7.732  10.426  1 45.195  ? 69  SER   A H    1 c 1 
ATOM   834  H HA   . SER   A 1 57  ? -24.809 -6.501  7.98    1 47.314  ? 69  SER   A HA   1 c 1 
ATOM   835  H HB2  . SER   A 1 57  ? -25.337 -8.851  7.722   1 55.629  ? 69  SER   A HB2  1 c 1 
ATOM   836  H HB3  . SER   A 1 57  ? -26.487 -8.661  8.797   1 57.542  ? 69  SER   A HB3  1 c 1 
ATOM   837  H HG   . SER   A 1 57  ? -27.32  -8.36   6.776   0 30      ? 69  SER   A HG   1 c 1 
ATOM   838  N N    . SER   A 1 58  ? -26.397 -4.915  8.966   1 47.804  ? 70  SER   A N    1 ? 1 
ATOM   839  C CA   . SER   A 1 58  ? -27.506 -4.099  9.45    1 48.655  ? 70  SER   A CA   1 ? 1 
ATOM   840  C C    . SER   A 1 58  ? -28.836 -4.816  9.224   1 50.556  ? 70  SER   A C    1 ? 1 
ATOM   841  O O    . SER   A 1 58  ? -29.746 -4.672  10.023  1 53.703  ? 70  SER   A O    1 ? 1 
ATOM   842  C CB   . SER   A 1 58  ? -27.52  -2.755  8.79    1 44.712  ? 70  SER   A CB   1 ? 1 
ATOM   843  O OG   . SER   A 1 58  ? -27.805 -2.938  7.411   1 47.514  ? 70  SER   A OG   1 ? 1 
ATOM   844  H H    . SER   A 1 58  ? -25.859 -4.592  8.302   1 46.938  ? 70  SER   A H    1 c 1 
ATOM   845  H HA   . SER   A 1 58  ? -27.388 -3.966  10.425  1 48.158  ? 70  SER   A HA   1 c 1 
ATOM   846  H HB2  . SER   A 1 58  ? -28.204 -2.193  9.199   1 46.849  ? 70  SER   A HB2  1 c 1 
ATOM   847  H HB3  . SER   A 1 58  ? -26.651 -2.326  8.895   1 44.158  ? 70  SER   A HB3  1 c 1 
ATOM   848  H HG   . SER   A 1 58  ? -27.849 -2.188  7.033   0 30      ? 70  SER   A HG   1 c 1 
ATOM   849  N N    . HIS   A 1 59  ? -28.986 -5.575  8.137   1 53.999  ? 71  HIS   A N    1 ? 1 
ATOM   850  C CA   . HIS   A 1 59  ? -30.227 -6.322  7.924   1 64.378  ? 71  HIS   A CA   1 ? 1 
ATOM   851  C C    . HIS   A 1 59  ? -30.624 -7.157  9.145   1 68.457  ? 71  HIS   A C    1 ? 1 
ATOM   852  O O    . HIS   A 1 59  ? -31.811 -7.22   9.469   1 73.682  ? 71  HIS   A O    1 ? 1 
ATOM   853  C CB   . HIS   A 1 59  ? -30.146 -7.205  6.679   1 68.842  ? 71  HIS   A CB   1 ? 1 
ATOM   854  C CG   . HIS   A 1 59  ? -30.056 -6.416  5.43    1 71.479  ? 71  HIS   A CG   1 ? 1 
ATOM   855  N ND1  . HIS   A 1 59  ? -31.146 -5.694  4.991   1 77.027  ? 71  HIS   A ND1  1 ? 1 
ATOM   856  C CD2  . HIS   A 1 59  ? -29.058 -6.174  4.549   1 75.437  ? 71  HIS   A CD2  1 ? 1 
ATOM   857  C CE1  . HIS   A 1 59  ? -30.818 -5.044  3.875   1 76.952  ? 71  HIS   A CE1  1 ? 1 
ATOM   858  N NE2  . HIS   A 1 59  ? -29.551 -5.315  3.593   1 75.704  ? 71  HIS   A NE2  1 ? 1 
ATOM   859  H H    . HIS   A 1 59  ? -28.317 -5.631  7.517   1 53.527  ? 71  HIS   A H    1 c 1 
ATOM   860  H HA   . HIS   A 1 59  ? -30.941 -5.654  7.771   1 64.737  ? 71  HIS   A HA   1 c 1 
ATOM   861  H HB2  . HIS   A 1 59  ? -29.358 -7.785  6.751   1 67.866  ? 71  HIS   A HB2  1 c 1 
ATOM   862  H HB3  . HIS   A 1 59  ? -30.945 -7.775  6.641   1 71.227  ? 71  HIS   A HB3  1 c 1 
ATOM   863  H HD1  . HIS   A 1 59  ? -31.937 -5.463  5.46    0 30      ? 71  HIS   A HD1  1 c 1 
ATOM   864  H HD2  . HIS   A 1 59  ? -28.186 -6.516  4.582   1 72.628  ? 71  HIS   A HD2  1 c 1 
ATOM   865  H HE1  . HIS   A 1 59  ? -31.39  -4.489  3.373   1 77.752  ? 71  HIS   A HE1  1 c 1 
ATOM   866  H HE2  . HIS   A 1 59  ? -29.057 -5.315  2.966   0 30      ? 71  HIS   A HE2  1 c 1 
ATOM   867  N N    . ASP   A 1 60  ? -29.654 -7.739  9.861   1 68.355  ? 72  ASP   A N    1 ? 1 
ATOM   868  C CA   . ASP   A 1 60  ? -29.923 -8.51   11.08   1 74.627  ? 72  ASP   A CA   1 ? 1 
ATOM   869  C C    . ASP   A 1 60  ? -30.392 -7.643  12.25   1 68.942  ? 72  ASP   A C    1 ? 1 
ATOM   870  O O    . ASP   A 1 60  ? -30.604 -8.158  13.326  1 72.839  ? 72  ASP   A O    1 ? 1 
ATOM   871  C CB   . ASP   A 1 60  ? -28.67  -9.201  11.613  1 76.293  ? 72  ASP   A CB   1 ? 1 
ATOM   872  C CG   . ASP   A 1 60  ? -28.03  -10.199 10.666  1 77.901  ? 72  ASP   A CG   1 ? 1 
ATOM   873  O OD1  . ASP   A 1 60  ? -28.778 -10.727 9.823   1 91.636  ? 72  ASP   A OD1  1 ? 1 
ATOM   874  O OD2  . ASP   A 1 60  ? -26.801 -10.393 10.756  1 74.472  ? 72  ASP   A OD2  1 ? 1 
ATOM   875  H H    . ASP   A 1 60  ? -28.789 -7.66   9.578   1 66.936  ? 72  ASP   A H    1 c 1 
ATOM   876  H HA   . ASP   A 1 60  ? -30.611 -9.184  10.883  1 75.464  ? 72  ASP   A HA   1 c 1 
ATOM   877  H HB2  . ASP   A 1 60  ? -28.002 -8.518  11.833  1 73.81   ? 72  ASP   A HB2  1 c 1 
ATOM   878  H HB3  . ASP   A 1 60  ? -28.892 -9.682  12.437  1 77.547  ? 72  ASP   A HB3  1 c 1 
ATOM   879  N N    . ARG   A 1 61  ? -30.413 -6.322  12.118  1 67.745  ? 73  ARG   A N    1 ? 1 
ATOM   880  C CA   . ARG   A 1 61  ? -31.103 -5.475  13.087  1 69.494  ? 73  ARG   A CA   1 ? 1 
ATOM   881  C C    . ARG   A 1 61  ? -32.497 -5.126  12.535  1 62.172  ? 73  ARG   A C    1 ? 1 
ATOM   882  O O    . ARG   A 1 61  ? -33.287 -4.469  13.2    1 63.964  ? 73  ARG   A O    1 ? 1 
ATOM   883  C CB   . ARG   A 1 61  ? -30.176 -4.287  13.441  1 61.086  ? 73  ARG   A CB   1 ? 1 
ATOM   884  H H    . ARG   A 1 61  ? -29.97  -5.928  11.424  1 65.74   ? 73  ARG   A H    1 c 1 
ATOM   885  H HA   . ARG   A 1 61  ? -31.231 -5.998  13.918  1 67.993  ? 73  ARG   A HA   1 c 1 
ATOM   886  H HB2  . ARG   A 1 61  ? -29.508 -4.655  13.456  0 30      ? 73  ARG   A HB2  1 c 1 
ATOM   887  H HB3  . ARG   A 1 61  ? -30.962 -3.556  13.818  0 30      ? 73  ARG   A HB3  1 c 1 
ATOM   888  N N    . ASN   A 1 62  ? -32.753 -5.501  11.27   1 61.74   ? 74  ASN   A N    1 ? 1 
ATOM   889  C CA   . ASN   A 1 62  ? -33.907 -5.063  10.483  1 64.452  ? 74  ASN   A CA   1 ? 1 
ATOM   890  C C    . ASN   A 1 62  ? -34.043 -3.534  10.408  1 60.469  ? 74  ASN   A C    1 ? 1 
ATOM   891  O O    . ASN   A 1 62  ? -35.104 -3.057  10.038  1 67.42   ? 74  ASN   A O    1 ? 1 
ATOM   892  C CB   . ASN   A 1 62  ? -35.178 -5.786  10.96   1 62.092  ? 74  ASN   A CB   1 ? 1 
ATOM   893  H H    . ASN   A 1 62  ? -32.173 -6.081  10.87   1 61.338  ? 74  ASN   A H    1 c 1 
ATOM   894  H HA   . ASN   A 1 62  ? -33.75  -5.37   9.561   1 61.946  ? 74  ASN   A HA   1 c 1 
ATOM   895  H HB2  . ASN   A 1 62  ? -35.051 -6.395  11.381  0 30      ? 74  ASN   A HB2  1 c 1 
ATOM   896  H HB3  . ASN   A 1 62  ? -36.064 -5.074  10.58   0 30      ? 74  ASN   A HB3  1 c 1 
ATOM   897  N N    . GLU   A 1 63  ? -32.992 -2.75   10.747  1 58.682  ? 75  GLU   A N    1 ? 1 
ATOM   898  C CA   . GLU   A 1 63  ? -33.095 -1.299  10.885  1 61.876  ? 75  GLU   A CA   1 ? 1 
ATOM   899  C C    . GLU   A 1 63  ? -31.833 -0.658  10.285  1 55.514  ? 75  GLU   A C    1 ? 1 
ATOM   900  O O    . GLU   A 1 63  ? -30.739 -1.23   10.331  1 48.21   ? 75  GLU   A O    1 ? 1 
ATOM   901  C CB   . GLU   A 1 63  ? -33.3   -0.756  12.311  1 67.398  ? 75  GLU   A CB   1 ? 1 
ATOM   902  C CG   . GLU   A 1 63  ? -32.099 -0.934  13.245  1 69.078  ? 75  GLU   A CG   1 ? 1 
ATOM   903  C CD   . GLU   A 1 63  ? -32.07  -0.24   14.617  1 76.164  ? 75  GLU   A CD   1 ? 1 
ATOM   904  O OE1  . GLU   A 1 63  ? -30.976 0.114   15.121  1 75.808  ? 75  GLU   A OE1  1 ? 1 
ATOM   905  O OE2  . GLU   A 1 63  ? -33.135 -0.063  15.223  1 81.729  ? 75  GLU   A OE2  1 ? 1 
ATOM   906  H H    . GLU   A 1 63  ? -32.175 -3.139  10.876  1 57.675  ? 75  GLU   A H    1 c 1 
ATOM   907  H HA   . GLU   A 1 63  ? -33.872 -1.005  10.35   1 62.658  ? 75  GLU   A HA   1 c 1 
ATOM   908  H HB2  . GLU   A 1 63  ? -33.512 0.199   12.255  1 67.104  ? 75  GLU   A HB2  1 c 1 
ATOM   909  H HB3  . GLU   A 1 63  ? -34.072 -1.209  12.71   1 69.626  ? 75  GLU   A HB3  1 c 1 
ATOM   910  H HG2  . GLU   A 1 63  ? -31.985 -1.895  13.404  1 69.917  ? 75  GLU   A HG2  1 c 1 
ATOM   911  H HG3  . GLU   A 1 63  ? -31.296 -0.646  12.763  1 66.981  ? 75  GLU   A HG3  1 c 1 
ATOM   912  N N    . PRO   A 1 64  ? -31.944 0.525   9.634   1 55.175  ? 76  PRO   A N    1 ? 1 
ATOM   913  C CA   . PRO   A 1 64  ? -30.793 1.092   8.966   1 51.15   ? 76  PRO   A CA   1 ? 1 
ATOM   914  C C    . PRO   A 1 64  ? -29.73  1.507   9.967   1 44.152  ? 76  PRO   A C    1 ? 1 
ATOM   915  O O    . PRO   A 1 64  ? -30.051 1.806   11.097  1 45.595  ? 76  PRO   A O    1 ? 1 
ATOM   916  C CB   . PRO   A 1 64  ? -31.34  2.277   8.178   1 52.687  ? 76  PRO   A CB   1 ? 1 
ATOM   917  C CG   . PRO   A 1 64  ? -32.84  2.023   8.171   1 62.069  ? 76  PRO   A CG   1 ? 1 
ATOM   918  C CD   . PRO   A 1 64  ? -33.154 1.34    9.461   1 58.713  ? 76  PRO   A CD   1 ? 1 
ATOM   919  H HA   . PRO   A 1 64  ? -30.419 0.431   8.346   1 49.719  ? 76  PRO   A HA   1 c 1 
ATOM   920  H HB2  . PRO   A 1 64  ? -31.13  3.122   8.621   1 53.2    ? 76  PRO   A HB2  1 c 1 
ATOM   921  H HB3  . PRO   A 1 64  ? -30.98  2.29    7.272   1 52.735  ? 76  PRO   A HB3  1 c 1 
ATOM   922  H HG2  . PRO   A 1 64  ? -33.333 2.865   8.103   1 60.362  ? 76  PRO   A HG2  1 c 1 
ATOM   923  H HG3  . PRO   A 1 64  ? -33.089 1.453   7.416   1 60.061  ? 76  PRO   A HG3  1 c 1 
ATOM   924  H HD2  . PRO   A 1 64  ? -33.259 1.977   10.194  1 59.856  ? 76  PRO   A HD2  1 c 1 
ATOM   925  H HD3  . PRO   A 1 64  ? -33.952 0.784   9.388   1 61.548  ? 76  PRO   A HD3  1 c 1 
ATOM   926  N N    . PHE   A 1 65  ? -28.476 1.546   9.503   1 40.201  ? 77  PHE   A N    1 ? 1 
ATOM   927  C CA   . PHE   A 1 65  ? -27.357 2.101   10.243  1 38.738  ? 77  PHE   A CA   1 ? 1 
ATOM   928  C C    . PHE   A 1 65  ? -27.253 3.591   9.885   1 37.188  ? 77  PHE   A C    1 ? 1 
ATOM   929  O O    . PHE   A 1 65  ? -27.282 3.948   8.723   1 36.978  ? 77  PHE   A O    1 ? 1 
ATOM   930  C CB   . PHE   A 1 65  ? -26.098 1.303   9.899   1 39.29   ? 77  PHE   A CB   1 ? 1 
ATOM   931  C CG   . PHE   A 1 65  ? -24.854 1.834   10.556  1 35.763  ? 77  PHE   A CG   1 ? 1 
ATOM   932  C CD1  . PHE   A 1 65  ? -24.659 1.67    11.921  1 41.355  ? 77  PHE   A CD1  1 ? 1 
ATOM   933  C CD2  . PHE   A 1 65  ? -23.928 2.593   9.84    1 35.864  ? 77  PHE   A CD2  1 ? 1 
ATOM   934  C CE1  . PHE   A 1 65  ? -23.522 2.177   12.533  1 40.366  ? 77  PHE   A CE1  1 ? 1 
ATOM   935  C CE2  . PHE   A 1 65  ? -22.812 3.111   10.474  1 33.403  ? 77  PHE   A CE2  1 ? 1 
ATOM   936  C CZ   . PHE   A 1 65  ? -22.6   2.889   11.801  1 36.179  ? 77  PHE   A CZ   1 ? 1 
ATOM   937  H H    . PHE   A 1 65  ? -28.313 1.206   8.671   1 40.147  ? 77  PHE   A H    1 c 1 
ATOM   938  H HA   . PHE   A 1 65  ? -27.538 2.011   11.216  1 39.892  ? 77  PHE   A HA   1 c 1 
ATOM   939  H HB2  . PHE   A 1 65  ? -26.233 0.37    10.178  1 38.816  ? 77  PHE   A HB2  1 c 1 
ATOM   940  H HB3  . PHE   A 1 65  ? -25.976 1.315   8.924   1 37.612  ? 77  PHE   A HB3  1 c 1 
ATOM   941  H HD1  . PHE   A 1 65  ? -25.279 1.165   12.424  1 41.37   ? 77  PHE   A HD1  1 c 1 
ATOM   942  H HD2  . PHE   A 1 65  ? -24.055 2.738   8.916   1 34.884  ? 77  PHE   A HD2  1 c 1 
ATOM   943  H HE1  . PHE   A 1 65  ? -23.385 2.038   13.456  1 40.377  ? 77  PHE   A HE1  1 c 1 
ATOM   944  H HE2  . PHE   A 1 65  ? -22.175 3.594   9.974   1 33.428  ? 77  PHE   A HE2  1 c 1 
ATOM   945  H HZ   . PHE   A 1 65  ? -21.837 3.249   12.224  1 35.856  ? 77  PHE   A HZ   1 c 1 
ATOM   946  N N    . VAL   A 1 66  ? -27.181 4.435   10.901  1 41.228  ? 78  VAL   A N    1 ? 1 
ATOM   947  C CA   . VAL   A 1 66  ? -27.246 5.877   10.736  1 43.337  ? 78  VAL   A CA   1 ? 1 
ATOM   948  C C    . VAL   A 1 66  ? -25.966 6.462   11.305  1 43.046  ? 78  VAL   A C    1 ? 1 
ATOM   949  O O    . VAL   A 1 66  ? -25.574 6.082   12.401  1 39.863  ? 78  VAL   A O    1 ? 1 
ATOM   950  C CB   . VAL   A 1 66  ? -28.457 6.491   11.453  1 47.985  ? 78  VAL   A CB   1 ? 1 
ATOM   951  C CG1  . VAL   A 1 66  ? -28.514 8.002   11.282  1 48.318  ? 78  VAL   A CG1  1 ? 1 
ATOM   952  C CG2  . VAL   A 1 66  ? -29.755 5.83    10.997  1 51.145  ? 78  VAL   A CG2  1 ? 1 
ATOM   953  H H    . VAL   A 1 66  ? -27.082 4.1     11.746  1 41.164  ? 78  VAL   A H    1 c 1 
ATOM   954  H HA   . VAL   A 1 66  ? -27.299 6.086   9.787   1 42.891  ? 78  VAL   A HA   1 c 1 
ATOM   955  H HB   . VAL   A 1 66  ? -28.349 6.304   12.415  1 48.37   ? 78  VAL   A HB   1 c 1 
ATOM   956  H HG11 . VAL   A 1 66  ? -28.373 8.229   10.347  1 47.6    ? 78  VAL   A HG11 1 c 1 
ATOM   957  H HG12 . VAL   A 1 66  ? -27.822 8.418   11.824  1 47.903  ? 78  VAL   A HG12 1 c 1 
ATOM   958  H HG13 . VAL   A 1 66  ? -29.384 8.326   11.565  1 50.287  ? 78  VAL   A HG13 1 c 1 
ATOM   959  H HG21 . VAL   A 1 66  ? -30.513 6.379   11.262  1 52.42   ? 78  VAL   A HG21 1 c 1 
ATOM   960  H HG22 . VAL   A 1 66  ? -29.833 4.952   11.408  1 51.033  ? 78  VAL   A HG22 1 c 1 
ATOM   961  H HG23 . VAL   A 1 66  ? -29.748 5.734   10.031  1 50.076  ? 78  VAL   A HG23 1 c 1 
ATOM   962  N N    . PHE   A 1 67  ? -25.341 7.418   10.578  1 37.995  ? 79  PHE   A N    1 ? 1 
ATOM   963  C CA   . PHE   A 1 67  ? -24.165 8.096   11.111  1 34.122  ? 79  PHE   A CA   1 ? 1 
ATOM   964  C C    . PHE   A 1 67  ? -24.02  9.445   10.399  1 36.042  ? 79  PHE   A C    1 ? 1 
ATOM   965  O O    . PHE   A 1 67  ? -24.653 9.682   9.366   1 35.9    ? 79  PHE   A O    1 ? 1 
ATOM   966  C CB   . PHE   A 1 67  ? -22.932 7.218   10.934  1 35.235  ? 79  PHE   A CB   1 ? 1 
ATOM   967  C CG   . PHE   A 1 67  ? -22.4   7.146   9.505   1 33.388  ? 79  PHE   A CG   1 ? 1 
ATOM   968  C CD1  . PHE   A 1 67  ? -23.034 6.368   8.543   1 37.689  ? 79  PHE   A CD1  1 ? 1 
ATOM   969  C CD2  . PHE   A 1 67  ? -21.288 7.893   9.111   1 32.493  ? 79  PHE   A CD2  1 ? 1 
ATOM   970  C CE1  . PHE   A 1 67  ? -22.559 6.302   7.238   1 34.869  ? 79  PHE   A CE1  1 ? 1 
ATOM   971  C CE2  . PHE   A 1 67  ? -20.82  7.842   7.805   1 30.407  ? 79  PHE   A CE2  1 ? 1 
ATOM   972  C CZ   . PHE   A 1 67  ? -21.437 7.045   6.863   1 32.265  ? 79  PHE   A CZ   1 ? 1 
ATOM   973  H H    . PHE   A 1 67  ? -25.651 7.643   9.749   1 38.15   ? 79  PHE   A H    1 c 1 
ATOM   974  H HA   . PHE   A 1 67  ? -24.303 8.261   12.081  1 36.598  ? 79  PHE   A HA   1 c 1 
ATOM   975  H HB2  . PHE   A 1 67  ? -22.22  7.562   11.518  1 34.384  ? 79  PHE   A HB2  1 c 1 
ATOM   976  H HB3  . PHE   A 1 67  ? -23.15  6.309   11.236  1 34.521  ? 79  PHE   A HB3  1 c 1 
ATOM   977  H HD1  . PHE   A 1 67  ? -23.788 5.855   8.788   1 36.768  ? 79  PHE   A HD1  1 c 1 
ATOM   978  H HD2  . PHE   A 1 67  ? -20.849 8.439   9.743   1 32.594  ? 79  PHE   A HD2  1 c 1 
ATOM   979  H HE1  . PHE   A 1 67  ? -22.999 5.758   6.604   1 34.959  ? 79  PHE   A HE1  1 c 1 
ATOM   980  H HE2  . PHE   A 1 67  ? -20.059 8.345   7.564   1 30.948  ? 79  PHE   A HE2  1 c 1 
ATOM   981  H HZ   . PHE   A 1 67  ? -21.115 7.013   5.977   1 31.879  ? 79  PHE   A HZ   1 c 1 
ATOM   982  N N    . SER   A 1 68  ? -23.202 10.315  10.99   1 37.773  ? 80  SER   A N    1 ? 1 
ATOM   983  C CA   . SER   A 1 68  ? -22.949 11.636  10.426  1 38.194  ? 80  SER   A CA   1 ? 1 
ATOM   984  C C    . SER   A 1 68  ? -21.674 11.567  9.606   1 36.545  ? 80  SER   A C    1 ? 1 
ATOM   985  O O    . SER   A 1 68  ? -20.639 11.22   10.136  1 34.857  ? 80  SER   A O    1 ? 1 
ATOM   986  C CB   . SER   A 1 68  ? -22.821 12.688  11.489  1 38.496  ? 80  SER   A CB   1 ? 1 
ATOM   987  O OG   . SER   A 1 68  ? -24.104 12.909  12.043  1 42.763  ? 80  SER   A OG   1 ? 1 
ATOM   988  H H    . SER   A 1 68  ? -22.787 10.081  11.769  1 37.41   ? 80  SER   A H    1 c 1 
ATOM   989  H HA   . SER   A 1 68  ? -23.7   11.876  9.831   1 38.406  ? 80  SER   A HA   1 c 1 
ATOM   990  H HB2  . SER   A 1 68  ? -22.205 12.386  12.184  1 39.165  ? 80  SER   A HB2  1 c 1 
ATOM   991  H HB3  . SER   A 1 68  ? -22.48  13.516  11.099  1 39.65   ? 80  SER   A HB3  1 c 1 
ATOM   992  H HG   . SER   A 1 68  ? -24.078 13.481  12.674  0 30      ? 80  SER   A HG   1 c 1 
ATOM   993  N N    . LEU   A 1 69  ? -21.732 11.975  8.339   1 36.955  ? 81  LEU   A N    1 ? 1 
ATOM   994  C CA   . LEU   A 1 69  ? -20.607 11.727  7.437   1 32.4    ? 81  LEU   A CA   1 ? 1 
ATOM   995  C C    . LEU   A 1 69  ? -19.437 12.627  7.814   1 30.756  ? 81  LEU   A C    1 ? 1 
ATOM   996  O O    . LEU   A 1 69  ? -19.621 13.798  8.148   1 33.299  ? 81  LEU   A O    1 ? 1 
ATOM   997  C CB   . LEU   A 1 69  ? -21.085 12.017  6.023   1 34.993  ? 81  LEU   A CB   1 ? 1 
ATOM   998  C CG   . LEU   A 1 69  ? -20.101 11.689  4.9     1 35.677  ? 81  LEU   A CG   1 ? 1 
ATOM   999  C CD1  . LEU   A 1 69  ? -19.821 10.217  4.677   1 34.491  ? 81  LEU   A CD1  1 ? 1 
ATOM   1000 C CD2  . LEU   A 1 69  ? -20.629 12.29   3.619   1 39.769  ? 81  LEU   A CD2  1 ? 1 
ATOM   1001 H H    . LEU   A 1 69  ? -22.471 12.414  8.028   1 36.87   ? 81  LEU   A H    1 c 1 
ATOM   1002 H HA   . LEU   A 1 69  ? -20.339 10.776  7.512   1 32.068  ? 81  LEU   A HA   1 c 1 
ATOM   1003 H HB2  . LEU   A 1 69  ? -21.913 11.506  5.868   1 34.869  ? 81  LEU   A HB2  1 c 1 
ATOM   1004 H HB3  . LEU   A 1 69  ? -21.313 12.973  5.967   1 35.875  ? 81  LEU   A HB3  1 c 1 
ATOM   1005 H HG   . LEU   A 1 69  ? -19.238 12.133  5.107   1 35.957  ? 81  LEU   A HG   1 c 1 
ATOM   1006 H HD11 . LEU   A 1 69  ? -19.448 9.83    5.486   1 33.955  ? 81  LEU   A HD11 1 c 1 
ATOM   1007 H HD12 . LEU   A 1 69  ? -19.187 10.113  3.947   1 34.204  ? 81  LEU   A HD12 1 c 1 
ATOM   1008 H HD13 . LEU   A 1 69  ? -20.649 9.759   4.452   1 34.597  ? 81  LEU   A HD13 1 c 1 
ATOM   1009 H HD21 . LEU   A 1 69  ? -20.732 13.249  3.728   1 39.681  ? 81  LEU   A HD21 1 c 1 
ATOM   1010 H HD22 . LEU   A 1 69  ? -21.491 11.894  3.407   1 38.946  ? 81  LEU   A HD22 1 c 1 
ATOM   1011 H HD23 . LEU   A 1 69  ? -20.006 12.112  2.895   1 38.478  ? 81  LEU   A HD23 1 c 1 
ATOM   1012 N N    . GLY   A 1 70  ? -18.247 12.035  7.738   1 32.061  ? 82  GLY   A N    1 ? 1 
ATOM   1013 C CA   . GLY   A 1 70  ? -16.994 12.763  7.813   1 34.517  ? 82  GLY   A CA   1 ? 1 
ATOM   1014 C C    . GLY   A 1 70  ? -16.692 13.276  9.198   1 43.283  ? 82  GLY   A C    1 ? 1 
ATOM   1015 O O    . GLY   A 1 70  ? -15.907 14.208  9.264   1 44.173  ? 82  GLY   A O    1 ? 1 
ATOM   1016 H H    . GLY   A 1 70  ? -18.215 11.128  7.634   1 31.023  ? 82  GLY   A H    1 c 1 
ATOM   1017 H HA2  . GLY   A 1 70  ? -16.264 12.173  7.519   1 34.822  ? 82  GLY   A HA2  1 c 1 
ATOM   1018 H HA3  . GLY   A 1 70  ? -17.033 13.524  7.187   1 36.255  ? 82  GLY   A HA3  1 c 1 
ATOM   1019 N N    . LYS   A 1 71  ? -17.325 12.701  10.246  1 41.054  ? 83  LYS   A N    1 ? 1 
ATOM   1020 C CA   . LYS   A 1 71  ? -17.082 13.08   11.634  1 45.403  ? 83  LYS   A CA   1 ? 1 
ATOM   1021 C C    . LYS   A 1 71  ? -16.294 11.981  12.367  1 49.76   ? 83  LYS   A C    1 ? 1 
ATOM   1022 O O    . LYS   A 1 71  ? -16.379 11.861  13.568  1 66.791  ? 83  LYS   A O    1 ? 1 
ATOM   1023 C CB   . LYS   A 1 71  ? -18.419 13.324  12.336  1 41.36   ? 83  LYS   A CB   1 ? 1 
ATOM   1024 H H    . LYS   A 1 71  ? -17.924 12.031  10.082  1 41.296  ? 83  LYS   A H    1 c 1 
ATOM   1025 H HA   . LYS   A 1 71  ? -16.552 13.917  11.647  1 45.61   ? 83  LYS   A HA   1 c 1 
ATOM   1026 H HB2  . LYS   A 1 71  ? -18.346 13.995  13.063  0 30      ? 83  LYS   A HB2  1 c 1 
ATOM   1027 H HB3  . LYS   A 1 71  ? -19.207 13.164  11.641  0 30      ? 83  LYS   A HB3  1 c 1 
ATOM   1028 N N    . GLY   A 1 72  ? -15.629 11.1    11.63   1 61.978  ? 84  GLY   A N    1 ? 1 
ATOM   1029 C CA   . GLY   A 1 72  ? -14.966 9.924   12.188  1 63.981  ? 84  GLY   A CA   1 ? 1 
ATOM   1030 C C    . GLY   A 1 72  ? -15.841 9.087   13.135  1 55.503  ? 84  GLY   A C    1 ? 1 
ATOM   1031 O O    . GLY   A 1 72  ? -15.337 8.522   14.095  1 50.11   ? 84  GLY   A O    1 ? 1 
ATOM   1032 H H    . GLY   A 1 72  ? -15.571 11.236  10.728  1 57.853  ? 84  GLY   A H    1 c 1 
ATOM   1033 H HA2  . GLY   A 1 72  ? -14.663 9.353   11.444  1 60.269  ? 84  GLY   A HA2  1 c 1 
ATOM   1034 H HA3  . GLY   A 1 72  ? -14.163 10.223  12.676  1 62.128  ? 84  GLY   A HA3  1 c 1 
ATOM   1035 N N    . GLN   A 1 73  ? -17.133 8.934   12.822  1 43.117  ? 85  GLN   A N    1 ? 1 
ATOM   1036 C CA   . GLN   A 1 73  ? -17.995 7.973   13.498  1 38.251  ? 85  GLN   A CA   1 ? 1 
ATOM   1037 C C    . GLN   A 1 73  ? -17.772 6.557   12.962  1 36.397  ? 85  GLN   A C    1 ? 1 
ATOM   1038 O O    . GLN   A 1 73  ? -18.153 5.585   13.612  1 31.014  ? 85  GLN   A O    1 ? 1 
ATOM   1039 C CB   . GLN   A 1 73  ? -19.428 8.459   13.322  1 36.337  ? 85  GLN   A CB   1 ? 1 
ATOM   1040 C CG   . GLN   A 1 73  ? -19.703 9.71    14.136  1 38.435  ? 85  GLN   A CG   1 ? 1 
ATOM   1041 C CD   . GLN   A 1 73  ? -21.128 10.175  13.991  1 38.241  ? 85  GLN   A CD   1 ? 1 
ATOM   1042 O OE1  . GLN   A 1 73  ? -21.955 9.523   13.353  1 39.834  ? 85  GLN   A OE1  1 ? 1 
ATOM   1043 N NE2  . GLN   A 1 73  ? -21.436 11.313  14.582  1 41.436  ? 85  GLN   A NE2  1 ? 1 
ATOM   1044 H H    . GLN   A 1 73  ? -17.488 9.442   12.151  1 44.301  ? 85  GLN   A H    1 c 1 
ATOM   1045 H HA   . GLN   A 1 73  ? -17.777 7.983   14.465  1 39.648  ? 85  GLN   A HA   1 c 1 
ATOM   1046 H HB2  . GLN   A 1 73  ? -19.594 8.645   12.374  1 36.373  ? 85  GLN   A HB2  1 c 1 
ATOM   1047 H HB3  . GLN   A 1 73  ? -20.043 7.749   13.603  1 37.163  ? 85  GLN   A HB3  1 c 1 
ATOM   1048 H HG2  . GLN   A 1 73  ? -19.519 9.531   15.083  1 38.972  ? 85  GLN   A HG2  1 c 1 
ATOM   1049 H HG3  . GLN   A 1 73  ? -19.102 10.429  13.844  1 38.133  ? 85  GLN   A HG3  1 c 1 
ATOM   1050 H HE21 . GLN   A 1 73  ? -22.258 11.64   14.511  1 41.87   ? 85  GLN   A HE21 1 c 1 
ATOM   1051 H HE22 . GLN   A 1 73  ? -20.822 11.751  15.049  1 41.618  ? 85  GLN   A HE22 1 c 1 
ATOM   1052 N N    . VAL   A 1 74  ? -17.082 6.452   11.82   1 27.282  ? 86  VAL   A N    1 ? 1 
ATOM   1053 C CA   . VAL   A 1 74  ? -16.875 5.192   11.126  1 30.143  ? 86  VAL   A CA   1 ? 1 
ATOM   1054 C C    . VAL   A 1 74  ? -15.441 5.159   10.643  1 28.804  ? 86  VAL   A C    1 ? 1 
ATOM   1055 O O    . VAL   A 1 74  ? -14.79  6.189   10.714  1 29.47   ? 86  VAL   A O    1 ? 1 
ATOM   1056 C CB   . VAL   A 1 74  ? -17.824 5.062   9.928   1 30.358  ? 86  VAL   A CB   1 ? 1 
ATOM   1057 C CG1  . VAL   A 1 74  ? -19.269 4.82    10.392  1 30.331  ? 86  VAL   A CG1  1 ? 1 
ATOM   1058 C CG2  . VAL   A 1 74  ? -17.721 6.257   8.965   1 33.443  ? 86  VAL   A CG2  1 ? 1 
ATOM   1059 H H    . VAL   A 1 74  ? -16.728 7.208   11.449  1 30.138  ? 86  VAL   A H    1 c 1 
ATOM   1060 H HA   . VAL   A 1 74  ? -17.027 4.451   11.743  1 29.51   ? 86  VAL   A HA   1 c 1 
ATOM   1061 H HB   . VAL   A 1 74  ? -17.543 4.261   9.427   1 30.031  ? 86  VAL   A HB   1 c 1 
ATOM   1062 H HG11 . VAL   A 1 74  ? -19.579 5.586   10.904  1 31.314  ? 86  VAL   A HG11 1 c 1 
ATOM   1063 H HG12 . VAL   A 1 74  ? -19.303 4.024   10.949  1 30.754  ? 86  VAL   A HG12 1 c 1 
ATOM   1064 H HG13 . VAL   A 1 74  ? -19.843 4.696   9.617   1 30.48   ? 86  VAL   A HG13 1 c 1 
ATOM   1065 H HG21 . VAL   A 1 74  ? -18.361 6.146   8.242   1 32.376  ? 86  VAL   A HG21 1 c 1 
ATOM   1066 H HG22 . VAL   A 1 74  ? -16.823 6.304   8.596   1 32.081  ? 86  VAL   A HG22 1 c 1 
ATOM   1067 H HG23 . VAL   A 1 74  ? -17.917 7.08    9.444   1 33.062  ? 86  VAL   A HG23 1 c 1 
ATOM   1068 N N    . ILE   A 1 75  ? -14.939 3.981   10.254  1 26.737  ? 87  ILE   A N    1 ? 1 
ATOM   1069 C CA   . ILE   A 1 75  ? -13.634 3.905   9.617   1 25.834  ? 87  ILE   A CA   1 ? 1 
ATOM   1070 C C    . ILE   A 1 75  ? -13.523 4.872   8.414   1 28.062  ? 87  ILE   A C    1 ? 1 
ATOM   1071 O O    . ILE   A 1 75  ? -14.496 5.221   7.76    1 28.14   ? 87  ILE   A O    1 ? 1 
ATOM   1072 C CB   . ILE   A 1 75  ? -13.303 2.472   9.194   1 25.642  ? 87  ILE   A CB   1 ? 1 
ATOM   1073 C CG1  . ILE   A 1 75  ? -14.344 1.872   8.205   1 27.021  ? 87  ILE   A CG1  1 ? 1 
ATOM   1074 C CG2  . ILE   A 1 75  ? -13.093 1.576   10.404  1 27.718  ? 87  ILE   A CG2  1 ? 1 
ATOM   1075 C CD1  . ILE   A 1 75  ? -13.936 0.499   7.665   1 29.736  ? 87  ILE   A CD1  1 ? 1 
ATOM   1076 H H    . ILE   A 1 75  ? -15.415 3.214   10.397  1 26.891  ? 87  ILE   A H    1 c 1 
ATOM   1077 H HA   . ILE   A 1 75  ? -12.969 4.178   10.279  1 26.949  ? 87  ILE   A HA   1 c 1 
ATOM   1078 H HB   . ILE   A 1 75  ? -12.451 2.51    8.716   1 26.254  ? 87  ILE   A HB   1 c 1 
ATOM   1079 H HG12 . ILE   A 1 75  ? -15.206 1.79    8.661   1 27.332  ? 87  ILE   A HG12 1 c 1 
ATOM   1080 H HG13 . ILE   A 1 75  ? -14.459 2.487   7.451   1 27.096  ? 87  ILE   A HG13 1 c 1 
ATOM   1081 H HG21 . ILE   A 1 75  ? -12.709 0.729   10.122  1 27.174  ? 87  ILE   A HG21 1 c 1 
ATOM   1082 H HG22 . ILE   A 1 75  ? -13.946 1.414   10.841  1 27.379  ? 87  ILE   A HG22 1 c 1 
ATOM   1083 H HG23 . ILE   A 1 75  ? -12.489 2.01    11.029  1 27.738  ? 87  ILE   A HG23 1 c 1 
ATOM   1084 H HD11 . ILE   A 1 75  ? -13.021 0.539   7.327   1 28.924  ? 87  ILE   A HD11 1 c 1 
ATOM   1085 H HD12 . ILE   A 1 75  ? -14.538 0.244   6.94    1 28.835  ? 87  ILE   A HD12 1 c 1 
ATOM   1086 H HD13 . ILE   A 1 75  ? -13.989 -0.166  8.377   1 29.079  ? 87  ILE   A HD13 1 c 1 
ATOM   1087 N N    . LYS   A 1 76  ? -12.292 5.35    8.161   1 29.916  ? 88  LYS   A N    1 ? 1 
ATOM   1088 C CA   . LYS   A 1 76  ? -11.999 6.342   7.13    1 26.218  ? 88  LYS   A CA   1 ? 1 
ATOM   1089 C C    . LYS   A 1 76  ? -12.547 5.904   5.765   1 27.296  ? 88  LYS   A C    1 ? 1 
ATOM   1090 O O    . LYS   A 1 76  ? -13.108 6.742   5.071   1 27.184  ? 88  LYS   A O    1 ? 1 
ATOM   1091 C CB   . LYS   A 1 76  ? -10.526 6.769   7.177   1 30.422  ? 88  LYS   A CB   1 ? 1 
ATOM   1092 H H    . LYS   A 1 76  ? -11.596 5.034   8.663   1 28.836  ? 88  LYS   A H    1 c 1 
ATOM   1093 H HA   . LYS   A 1 76  ? -12.502 7.159   7.377   1 28.15   ? 88  LYS   A HA   1 c 1 
ATOM   1094 H HB2  . LYS   A 1 76  ? -9.982  5.985   7.102   0 30      ? 88  LYS   A HB2  1 c 1 
ATOM   1095 H HB3  . LYS   A 1 76  ? -10.518 7.753   7.3     0 30      ? 88  LYS   A HB3  1 c 1 
ATOM   1096 N N    . ALA   A 1 77  ? -12.481 4.602   5.424   1 27.691  ? 89  ALA   A N    1 ? 1 
ATOM   1097 C CA   . ALA   A 1 77  ? -12.98  4.114   4.139   1 26.8    ? 89  ALA   A CA   1 ? 1 
ATOM   1098 C C    . ALA   A 1 77  ? -14.476 4.384   3.931   1 29.01   ? 89  ALA   A C    1 ? 1 
ATOM   1099 O O    . ALA   A 1 77  ? -14.89  4.621   2.821   1 26.608  ? 89  ALA   A O    1 ? 1 
ATOM   1100 C CB   . ALA   A 1 77  ? -12.723 2.65    3.993   1 28.163  ? 89  ALA   A CB   1 ? 1 
ATOM   1101 H H    . ALA   A 1 77  ? -12.11  4.004   6.007   1 27.204  ? 89  ALA   A H    1 c 1 
ATOM   1102 H HA   . ALA   A 1 77  ? -12.484 4.595   3.421   1 28.147  ? 89  ALA   A HA   1 c 1 
ATOM   1103 H HB1  . ALA   A 1 77  ? -11.765 2.485   3.998   1 27.974  ? 89  ALA   A HB1  1 c 1 
ATOM   1104 H HB2  . ALA   A 1 77  ? -13.135 2.171   4.731   1 27.37   ? 89  ALA   A HB2  1 c 1 
ATOM   1105 H HB3  . ALA   A 1 77  ? -13.099 2.334   3.154   1 27.88   ? 89  ALA   A HB3  1 c 1 
ATOM   1106 N N    . TRP   A 1 78  ? -15.282 4.392   5.005   1 29.692  ? 90  TRP   A N    1 ? 1 
ATOM   1107 C CA   . TRP   A 1 78  ? -16.68  4.725   4.878   1 27.61   ? 90  TRP   A CA   1 ? 1 
ATOM   1108 C C    . TRP   A 1 78  ? -16.906 6.215   4.658   1 30.093  ? 90  TRP   A C    1 ? 1 
ATOM   1109 O O    . TRP   A 1 78  ? -17.785 6.579   3.871   1 29.661  ? 90  TRP   A O    1 ? 1 
ATOM   1110 C CB   . TRP   A 1 78  ? -17.432 4.219   6.118   1 28.871  ? 90  TRP   A CB   1 ? 1 
ATOM   1111 C CG   . TRP   A 1 78  ? -17.946 2.812   6.043   1 29.472  ? 90  TRP   A CG   1 ? 1 
ATOM   1112 C CD1  . TRP   A 1 78  ? -17.317 1.642   5.665   1 27.734  ? 90  TRP   A CD1  1 ? 1 
ATOM   1113 C CD2  . TRP   A 1 78  ? -19.334 2.464   6.249   1 28.292  ? 90  TRP   A CD2  1 ? 1 
ATOM   1114 N NE1  . TRP   A 1 78  ? -18.202 0.593   5.687   1 27.096  ? 90  TRP   A NE1  1 ? 1 
ATOM   1115 C CE2  . TRP   A 1 78  ? -19.447 1.064   6.02    1 27.724  ? 90  TRP   A CE2  1 ? 1 
ATOM   1116 C CE3  . TRP   A 1 78  ? -20.454 3.188   6.64    1 28.331  ? 90  TRP   A CE3  1 ? 1 
ATOM   1117 C CZ2  . TRP   A 1 78  ? -20.66  0.39    6.157   1 31.497  ? 90  TRP   A CZ2  1 ? 1 
ATOM   1118 C CZ3  . TRP   A 1 78  ? -21.655 2.512   6.753   1 30.836  ? 90  TRP   A CZ3  1 ? 1 
ATOM   1119 C CH2  . TRP   A 1 78  ? -21.751 1.142   6.535   1 30.108  ? 90  TRP   A CH2  1 ? 1 
ATOM   1120 H H    . TRP   A 1 78  ? -14.946 4.182   5.829   1 28.744  ? 90  TRP   A H    1 c 1 
ATOM   1121 H HA   . TRP   A 1 78  ? -17.04  4.239   4.086   1 28.761  ? 90  TRP   A HA   1 c 1 
ATOM   1122 H HB2  . TRP   A 1 78  ? -16.839 4.295   6.895   1 28.615  ? 90  TRP   A HB2  1 c 1 
ATOM   1123 H HB3  . TRP   A 1 78  ? -18.19  4.819   6.283   1 29.112  ? 90  TRP   A HB3  1 c 1 
ATOM   1124 H HD1  . TRP   A 1 78  ? -16.4   1.56    5.453   1 27.551  ? 90  TRP   A HD1  1 c 1 
ATOM   1125 H HE1  . TRP   A 1 78  ? -18.012 -0.228  5.488   1 27.55   ? 90  TRP   A HE1  1 c 1 
ATOM   1126 H HE3  . TRP   A 1 78  ? -20.401 4.117   6.792   1 28.926  ? 90  TRP   A HE3  1 c 1 
ATOM   1127 H HZ2  . TRP   A 1 78  ? -20.728 -0.536  6.002   1 30.652  ? 90  TRP   A HZ2  1 c 1 
ATOM   1128 H HZ3  . TRP   A 1 78  ? -22.426 2.989   7.01    1 30.965  ? 90  TRP   A HZ3  1 c 1 
ATOM   1129 H HH2  . TRP   A 1 78  ? -22.587 0.721   6.624   1 31.716  ? 90  TRP   A HH2  1 c 1 
ATOM   1130 N N    . ASP   A 1 79  ? -16.168 7.079   5.376   1 26.799  ? 91  ASP   A N    1 ? 1 
ATOM   1131 C CA   . ASP   A 1 79  ? -16.317 8.494   5.199   1 28.448  ? 91  ASP   A CA   1 ? 1 
ATOM   1132 C C    . ASP   A 1 79  ? -15.957 8.807   3.743   1 34.887  ? 91  ASP   A C    1 ? 1 
ATOM   1133 O O    . ASP   A 1 79  ? -16.639 9.603   3.112   1 33.651  ? 91  ASP   A O    1 ? 1 
ATOM   1134 C CB   . ASP   A 1 79  ? -15.46  9.269   6.192   1 34.171  ? 91  ASP   A CB   1 ? 1 
ATOM   1135 C CG   . ASP   A 1 79  ? -16.106 9.522   7.557   1 34.422  ? 91  ASP   A CG   1 ? 1 
ATOM   1136 O OD1  . ASP   A 1 79  ? -17.34  9.433   7.644   1 28.103  ? 91  ASP   A OD1  1 ? 1 
ATOM   1137 O OD2  . ASP   A 1 79  ? -15.355 9.802   8.51    1 32.292  ? 91  ASP   A OD2  1 ? 1 
ATOM   1138 H H    . ASP   A 1 79  ? -15.568 6.767   5.99    1 27.642  ? 91  ASP   A H    1 c 1 
ATOM   1139 H HA   . ASP   A 1 79  ? -17.262 8.728   5.343   1 30.452  ? 91  ASP   A HA   1 c 1 
ATOM   1140 H HB2  . ASP   A 1 79  ? -14.621 8.784   6.337   1 32.508  ? 91  ASP   A HB2  1 c 1 
ATOM   1141 H HB3  . ASP   A 1 79  ? -15.237 10.14   5.801   1 33.528  ? 91  ASP   A HB3  1 c 1 
ATOM   1142 N N    . ILE   A 1 80  ? -14.917 8.149   3.21    1 32.169  ? 92  ILE   A N    1 ? 1 
ATOM   1143 C CA   . ILE   A 1 80  ? -14.527 8.344   1.817   1 33.697  ? 92  ILE   A CA   1 ? 1 
ATOM   1144 C C    . ILE   A 1 80  ? -15.566 7.755   0.847   1 31.788  ? 92  ILE   A C    1 ? 1 
ATOM   1145 O O    . ILE   A 1 80  ? -16.008 8.399   -0.089  1 30.734  ? 92  ILE   A O    1 ? 1 
ATOM   1146 C CB   . ILE   A 1 80  ? -13.126 7.748   1.552   1 36.822  ? 92  ILE   A CB   1 ? 1 
ATOM   1147 C CG1  . ILE   A 1 80  ? -12.013 8.521   2.275   1 40.132  ? 92  ILE   A CG1  1 ? 1 
ATOM   1148 C CG2  . ILE   A 1 80  ? -12.831 7.656   0.042   1 40.354  ? 92  ILE   A CG2  1 ? 1 
ATOM   1149 C CD1  . ILE   A 1 80  ? -10.749 7.682   2.457   1 38.363  ? 92  ILE   A CD1  1 ? 1 
ATOM   1150 H H    . ILE   A 1 80  ? -14.433 7.571   3.727   1 32.444  ? 92  ILE   A H    1 c 1 
ATOM   1151 H HA   . ILE   A 1 80  ? -14.475 9.306   1.654   1 34.425  ? 92  ILE   A HA   1 c 1 
ATOM   1152 H HB   . ILE   A 1 80  ? -13.125 6.837   1.907   1 36.464  ? 92  ILE   A HB   1 c 1 
ATOM   1153 H HG12 . ILE   A 1 80  ? -11.794 9.324   1.759   1 40.024  ? 92  ILE   A HG12 1 c 1 
ATOM   1154 H HG13 . ILE   A 1 80  ? -12.339 8.804   3.154   1 38.754  ? 92  ILE   A HG13 1 c 1 
ATOM   1155 H HG21 . ILE   A 1 80  ? -11.888 7.467   -0.097  1 39.962  ? 92  ILE   A HG21 1 c 1 
ATOM   1156 H HG22 . ILE   A 1 80  ? -13.055 8.501   -0.386  1 40.323  ? 92  ILE   A HG22 1 c 1 
ATOM   1157 H HG23 . ILE   A 1 80  ? -13.361 6.944   -0.354  1 39.319  ? 92  ILE   A HG23 1 c 1 
ATOM   1158 H HD11 . ILE   A 1 80  ? -10.971 6.853   2.923   1 38.047  ? 92  ILE   A HD11 1 c 1 
ATOM   1159 H HD12 . ILE   A 1 80  ? -10.098 8.184   2.984   1 39.416  ? 92  ILE   A HD12 1 c 1 
ATOM   1160 H HD13 . ILE   A 1 80  ? -10.364 7.47    1.586   1 39.425  ? 92  ILE   A HD13 1 c 1 
ATOM   1161 N N    . GLY   A 1 81  ? -15.966 6.507   1.062   1 30.673  ? 93  GLY   A N    1 ? 1 
ATOM   1162 C CA   . GLY   A 1 81  ? -16.807 5.795   0.106   1 30.349  ? 93  GLY   A CA   1 ? 1 
ATOM   1163 C C    . GLY   A 1 81  ? -18.253 6.244   0.075   1 31.993  ? 93  GLY   A C    1 ? 1 
ATOM   1164 O O    . GLY   A 1 81  ? -18.779 6.46    -1.004  1 31.093  ? 93  GLY   A O    1 ? 1 
ATOM   1165 H H    . GLY   A 1 81  ? -15.707 6.077   1.825   1 29.987  ? 93  GLY   A H    1 c 1 
ATOM   1166 H HA2  . GLY   A 1 81  ? -16.421 5.905   -0.793  1 31.489  ? 93  GLY   A HA2  1 c 1 
ATOM   1167 H HA3  . GLY   A 1 81  ? -16.778 4.834   0.323   1 30.38   ? 93  GLY   A HA3  1 c 1 
ATOM   1168 N N    . VAL   A 1 82  ? -18.888 6.393   1.262   1 30.808  ? 94  VAL   A N    1 ? 1 
ATOM   1169 C CA   . VAL   A 1 82  ? -20.283 6.801   1.284   1 32.855  ? 94  VAL   A CA   1 ? 1 
ATOM   1170 C C    . VAL   A 1 82  ? -20.397 8.24    0.737   1 34.519  ? 94  VAL   A C    1 ? 1 
ATOM   1171 O O    . VAL   A 1 82  ? -21.394 8.598   0.141   1 35.776  ? 94  VAL   A O    1 ? 1 
ATOM   1172 C CB   . VAL   A 1 82  ? -20.876 6.648   2.688   1 34.176  ? 94  VAL   A CB   1 ? 1 
ATOM   1173 C CG1  . VAL   A 1 82  ? -22.305 7.156   2.779   1 40.767  ? 94  VAL   A CG1  1 ? 1 
ATOM   1174 C CG2  . VAL   A 1 82  ? -20.838 5.21    3.112   1 33.808  ? 94  VAL   A CG2  1 ? 1 
ATOM   1175 H H    . VAL   A 1 82  ? -18.445 6.248   2.048   1 30.632  ? 94  VAL   A H    1 c 1 
ATOM   1176 H HA   . VAL   A 1 82  ? -20.778 6.21    0.684   1 33.514  ? 94  VAL   A HA   1 c 1 
ATOM   1177 H HB   . VAL   A 1 82  ? -20.316 7.173   3.306   1 34.408  ? 94  VAL   A HB   1 c 1 
ATOM   1178 H HG11 . VAL   A 1 82  ? -22.822 6.809   2.032   1 39.701  ? 94  VAL   A HG11 1 c 1 
ATOM   1179 H HG12 . VAL   A 1 82  ? -22.309 8.128   2.75    1 39.444  ? 94  VAL   A HG12 1 c 1 
ATOM   1180 H HG13 . VAL   A 1 82  ? -22.703 6.858   3.613   1 38.993  ? 94  VAL   A HG13 1 c 1 
ATOM   1181 H HG21 . VAL   A 1 82  ? -21.266 5.116   3.979   1 33.828  ? 94  VAL   A HG21 1 c 1 
ATOM   1182 H HG22 . VAL   A 1 82  ? -19.916 4.912   3.175   1 33.048  ? 94  VAL   A HG22 1 c 1 
ATOM   1183 H HG23 . VAL   A 1 82  ? -21.31  4.666   2.458   1 34.272  ? 94  VAL   A HG23 1 c 1 
ATOM   1184 N N    . ALA   A 1 83  ? -19.345 9.047   0.869   1 32.995  ? 95  ALA   A N    1 ? 1 
ATOM   1185 C CA   . ALA   A 1 83  ? -19.348 10.389  0.303   1 34.43   ? 95  ALA   A CA   1 ? 1 
ATOM   1186 C C    . ALA   A 1 83  ? -19.5   10.402  -1.212  1 37.2    ? 95  ALA   A C    1 ? 1 
ATOM   1187 O O    . ALA   A 1 83  ? -19.978 11.402  -1.744  1 42.165  ? 95  ALA   A O    1 ? 1 
ATOM   1188 C CB   . ALA   A 1 83  ? -18.1   11.184  0.719   1 36.95   ? 95  ALA   A CB   1 ? 1 
ATOM   1189 H H    . ALA   A 1 83  ? -18.611 8.766   1.333   1 32.645  ? 95  ALA   A H    1 c 1 
ATOM   1190 H HA   . ALA   A 1 83  ? -20.144 10.86   0.678   1 35.591  ? 95  ALA   A HA   1 c 1 
ATOM   1191 H HB1  . ALA   A 1 83  ? -18.101 11.315  1.682   1 35.768  ? 95  ALA   A HB1  1 c 1 
ATOM   1192 H HB2  . ALA   A 1 83  ? -17.3   10.696  0.462   1 35.769  ? 95  ALA   A HB2  1 c 1 
ATOM   1193 H HB3  . ALA   A 1 83  ? -18.102 12.051  0.278   1 37.203  ? 95  ALA   A HB3  1 c 1 
ATOM   1194 N N    . THR   A 1 84  ? -19.127 9.318   -1.916  1 35.841  ? 96  THR   A N    1 ? 1 
ATOM   1195 C CA   . THR   A 1 84  ? -19.235 9.24    -3.371  1 36.35   ? 96  THR   A CA   1 ? 1 
ATOM   1196 C C    . THR   A 1 84  ? -20.577 8.662   -3.832  1 37.332  ? 96  THR   A C    1 ? 1 
ATOM   1197 O O    . THR   A 1 84  ? -20.761 8.482   -5.027  1 42.271  ? 96  THR   A O    1 ? 1 
ATOM   1198 C CB   . THR   A 1 84  ? -18.147 8.358   -3.975  1 37.52   ? 96  THR   A CB   1 ? 1 
ATOM   1199 O OG1  . THR   A 1 84  ? -18.5   7.022   -3.603  1 38.925  ? 96  THR   A OG1  1 ? 1 
ATOM   1200 C CG2  . THR   A 1 84  ? -16.747 8.754   -3.538  1 37.94   ? 96  THR   A CG2  1 ? 1 
ATOM   1201 H H    . THR   A 1 84  ? -18.776 8.601   -1.47   1 34.927  ? 96  THR   A H    1 c 1 
ATOM   1202 H HA   . THR   A 1 84  ? -19.139 10.146  -3.738  1 37.774  ? 96  THR   A HA   1 c 1 
ATOM   1203 H HB   . THR   A 1 84  ? -18.186 8.435   -4.958  1 39.231  ? 96  THR   A HB   1 c 1 
ATOM   1204 H HG1  . THR   A 1 84  ? -18.527 6.973   -2.736  0 30      ? 96  THR   A HG1  1 c 1 
ATOM   1205 H HG21 . THR   A 1 84  ? -16.093 8.211   -4.01   1 37.874  ? 96  THR   A HG21 1 c 1 
ATOM   1206 H HG22 . THR   A 1 84  ? -16.652 8.614   -2.582  1 36.446  ? 96  THR   A HG22 1 c 1 
ATOM   1207 H HG23 . THR   A 1 84  ? -16.595 9.692   -3.744  1 38.438  ? 96  THR   A HG23 1 c 1 
ATOM   1208 N N    . MET   A 1 85  ? -21.52  8.357   -2.939  1 37.297  ? 97  MET   A N    1 ? 1 
ATOM   1209 C CA   . MET   A 1 85  ? -22.692 7.582   -3.32   1 39.61   ? 97  MET   A CA   1 ? 1 
ATOM   1210 C C    . MET   A 1 85  ? -23.928 8.485   -3.46   1 39.978  ? 97  MET   A C    1 ? 1 
ATOM   1211 O O    . MET   A 1 85  ? -24.095 9.412   -2.69   1 37.854  ? 97  MET   A O    1 ? 1 
ATOM   1212 C CB   . MET   A 1 85  ? -22.974 6.454   -2.295  1 36.292  ? 97  MET   A CB   1 ? 1 
ATOM   1213 C CG   . MET   A 1 85  ? -21.883 5.377   -2.228  1 36.001  ? 97  MET   A CG   1 ? 1 
ATOM   1214 S SD   . MET   A 1 85  ? -22.251 4.11    -0.975  1 36.403  ? 97  MET   A SD   1 ? 1 
ATOM   1215 C CE   . MET   A 1 85  ? -23.682 3.321   -1.727  1 35.837  ? 97  MET   A CE   1 ? 1 
ATOM   1216 H H    . MET   A 1 85  ? -21.438 8.638   -2.074  1 36.633  ? 97  MET   A H    1 c 1 
ATOM   1217 H HA   . MET   A 1 85  ? -22.512 7.17    -4.201  1 39.555  ? 97  MET   A HA   1 c 1 
ATOM   1218 H HB2  . MET   A 1 85  ? -23.076 6.858   -1.407  1 36.3    ? 97  MET   A HB2  1 c 1 
ATOM   1219 H HB3  . MET   A 1 85  ? -23.826 6.03    -2.529  1 37.953  ? 97  MET   A HB3  1 c 1 
ATOM   1220 H HG2  . MET   A 1 85  ? -21.798 4.945   -3.098  1 36.913  ? 97  MET   A HG2  1 c 1 
ATOM   1221 H HG3  . MET   A 1 85  ? -21.028 5.795   -2.013  1 35.239  ? 97  MET   A HG3  1 c 1 
ATOM   1222 H HE1  . MET   A 1 85  ? -23.994 2.6     -1.151  1 36.388  ? 97  MET   A HE1  1 c 1 
ATOM   1223 H HE2  . MET   A 1 85  ? -24.395 3.976   -1.838  1 37.331  ? 97  MET   A HE2  1 c 1 
ATOM   1224 H HE3  . MET   A 1 85  ? -23.433 2.958   -2.598  1 37.175  ? 97  MET   A HE3  1 c 1 
ATOM   1225 N N    . LYS   A 1 86  ? -24.857 8.111   -4.357  1 44.936  ? 98  LYS   A N    1 ? 1 
ATOM   1226 C CA   . LYS   A 1 86  ? -26.178 8.739   -4.519  1 47.676  ? 98  LYS   A CA   1 ? 1 
ATOM   1227 C C    . LYS   A 1 86  ? -27.304 8.004   -3.785  1 45.833  ? 98  LYS   A C    1 ? 1 
ATOM   1228 O O    . LYS   A 1 86  ? -27.168 6.832   -3.458  1 45.748  ? 98  LYS   A O    1 ? 1 
ATOM   1229 C CB   . LYS   A 1 86  ? -26.477 8.759   -6.016  1 54.717  ? 98  LYS   A CB   1 ? 1 
ATOM   1230 C CG   . LYS   A 1 86  ? -25.327 9.359   -6.806  1 61.601  ? 98  LYS   A CG   1 ? 1 
ATOM   1231 C CD   . LYS   A 1 86  ? -25.543 9.344   -8.306  1 70.273  ? 98  LYS   A CD   1 ? 1 
ATOM   1232 C CE   . LYS   A 1 86  ? -24.409 10.006  -9.002  1 73.708  ? 98  LYS   A CE   1 ? 1 
ATOM   1233 N NZ   . LYS   A 1 86  ? -24.877 10.27   -10.36  1 90.33   ? 98  LYS   A NZ   1 ? 1 
ATOM   1234 H H    . LYS   A 1 86  ? -24.658 7.401   -4.898  1 44.773  ? 98  LYS   A H    1 c 1 
ATOM   1235 H HA   . LYS   A 1 86  ? -26.129 9.67    -4.185  1 47.728  ? 98  LYS   A HA   1 c 1 
ATOM   1236 H HB2  . LYS   A 1 86  ? -26.637 7.843   -6.33   1 55.338  ? 98  LYS   A HB2  1 c 1 
ATOM   1237 H HB3  . LYS   A 1 86  ? -27.288 9.286   -6.18   1 56.507  ? 98  LYS   A HB3  1 c 1 
ATOM   1238 H HG2  . LYS   A 1 86  ? -25.197 10.287  -6.511  1 60.997  ? 98  LYS   A HG2  1 c 1 
ATOM   1239 H HG3  . LYS   A 1 86  ? -24.507 8.861   -6.6    1 59.546  ? 98  LYS   A HG3  1 c 1 
ATOM   1240 H HD2  . LYS   A 1 86  ? -25.617 8.415   -8.616  1 69.877  ? 98  LYS   A HD2  1 c 1 
ATOM   1241 H HD3  . LYS   A 1 86  ? -26.377 9.811   -8.52   1 71.238  ? 98  LYS   A HD3  1 c 1 
ATOM   1242 H HE2  . LYS   A 1 86  ? -24.173 10.843  -8.565  1 75.076  ? 98  LYS   A HE2  1 c 1 
ATOM   1243 H HE3  . LYS   A 1 86  ? -23.631 9.421   -9.027  1 74.82   ? 98  LYS   A HE3  1 c 1 
ATOM   1244 H HZ1  . LYS   A 1 86  ? -25.549 10.878  -10.347 1 86.488  ? 98  LYS   A HZ1  1 c 1 
ATOM   1245 H HZ2  . LYS   A 1 86  ? -25.177 9.502   -10.738 1 86.429  ? 98  LYS   A HZ2  1 c 1 
ATOM   1246 H HZ3  . LYS   A 1 86  ? -24.195 10.596  -10.859 1 86.234  ? 98  LYS   A HZ3  1 c 1 
ATOM   1247 N N    . LYS   A 1 87  ? -28.388 8.734   -3.468  1 49.613  ? 99  LYS   A N    1 ? 1 
ATOM   1248 C CA   . LYS   A 1 87  ? -29.58  8.194   -2.825  1 50.118  ? 99  LYS   A CA   1 ? 1 
ATOM   1249 C C    . LYS   A 1 87  ? -30.054 7.023   -3.674  1 52.688  ? 99  LYS   A C    1 ? 1 
ATOM   1250 O O    . LYS   A 1 87  ? -30.282 7.202   -4.856  1 53.782  ? 99  LYS   A O    1 ? 1 
ATOM   1251 C CB   . LYS   A 1 87  ? -30.774 9.151   -2.661  1 49.879  ? 99  LYS   A CB   1 ? 1 
ATOM   1252 H H    . LYS   A 1 87  ? -28.378 9.625   -3.67   1 49.452  ? 99  LYS   A H    1 c 1 
ATOM   1253 H HA   . LYS   A 1 87  ? -29.321 7.856   -1.93   1 48.579  ? 99  LYS   A HA   1 c 1 
ATOM   1254 H HB2  . LYS   A 1 87  ? -30.36  10.029  -2.418  0 30      ? 99  LYS   A HB2  1 c 1 
ATOM   1255 H HB3  . LYS   A 1 87  ? -31.566 8.643   -2.698  0 30      ? 99  LYS   A HB3  1 c 1 
ATOM   1256 N N    . GLY   A 1 88  ? -30.152 5.833   -3.073  1 54.863  ? 100 GLY   A N    1 ? 1 
ATOM   1257 C CA   . GLY   A 1 88  ? -30.609 4.641   -3.779  1 54.721  ? 100 GLY   A CA   1 ? 1 
ATOM   1258 C C    . GLY   A 1 88  ? -29.479 3.744   -4.278  1 51.384  ? 100 GLY   A C    1 ? 1 
ATOM   1259 O O    . GLY   A 1 88  ? -29.734 2.599   -4.681  1 48.991  ? 100 GLY   A O    1 ? 1 
ATOM   1260 H H    . GLY   A 1 88  ? -29.926 5.758   -2.19   1 52.382  ? 100 GLY   A H    1 c 1 
ATOM   1261 H HA2  . GLY   A 1 88  ? -31.186 4.12    -3.172  1 55.173  ? 100 GLY   A HA2  1 c 1 
ATOM   1262 H HA3  . GLY   A 1 88  ? -31.163 4.918   -4.547  1 56.653  ? 100 GLY   A HA3  1 c 1 
ATOM   1263 N N    . GLU   A 1 89  ? -28.242 4.249   -4.278  1 46.755  ? 101 GLU   A N    1 ? 1 
ATOM   1264 C CA   . GLU   A 1 89  ? -27.115 3.51    -4.827  1 48.319  ? 101 GLU   A CA   1 ? 1 
ATOM   1265 C C    . GLU   A 1 89  ? -26.744 2.313   -3.928  1 46.188  ? 101 GLU   A C    1 ? 1 
ATOM   1266 O O    . GLU   A 1 89  ? -26.83  2.361   -2.701  1 45.391  ? 101 GLU   A O    1 ? 1 
ATOM   1267 C CB   . GLU   A 1 89  ? -25.918 4.462   -5.006  1 49.598  ? 101 GLU   A CB   1 ? 1 
ATOM   1268 C CG   . GLU   A 1 89  ? -24.684 3.875   -5.705  1 44.75   ? 101 GLU   A CG   1 ? 1 
ATOM   1269 C CD   . GLU   A 1 89  ? -23.491 4.811   -5.741  1 46.577  ? 101 GLU   A CD   1 ? 1 
ATOM   1270 O OE1  . GLU   A 1 89  ? -23.755 5.975   -6.082  1 46.614  ? 101 GLU   A OE1  1 ? 1 
ATOM   1271 O OE2  . GLU   A 1 89  ? -22.321 4.423   -5.484  1 48.93   ? 101 GLU   A OE2  1 ? 1 
ATOM   1272 H H    . GLU   A 1 89  ? -28.092 5.077   -3.922  1 47.201  ? 101 GLU   A H    1 c 1 
ATOM   1273 H HA   . GLU   A 1 89  ? -27.379 3.168   -5.716  1 49.869  ? 101 GLU   A HA   1 c 1 
ATOM   1274 H HB2  . GLU   A 1 89  ? -26.218 5.242   -5.518  1 48.976  ? 101 GLU   A HB2  1 c 1 
ATOM   1275 H HB3  . GLU   A 1 89  ? -25.64  4.779   -4.121  1 46.333  ? 101 GLU   A HB3  1 c 1 
ATOM   1276 H HG2  . GLU   A 1 89  ? -24.416 3.05    -5.247  1 45.521  ? 101 GLU   A HG2  1 c 1 
ATOM   1277 H HG3  . GLU   A 1 89  ? -24.921 3.639   -6.627  1 48.109  ? 101 GLU   A HG3  1 c 1 
ATOM   1278 N N    . ILE   A 1 90  ? -26.287 1.235   -4.581  1 46.216  ? 102 ILE   A N    1 ? 1 
ATOM   1279 C CA   . ILE   A 1 90  ? -25.634 0.119   -3.92   1 44.908  ? 102 ILE   A CA   1 ? 1 
ATOM   1280 C C    . ILE   A 1 90  ? -24.234 -0.007  -4.475  1 41.316  ? 102 ILE   A C    1 ? 1 
ATOM   1281 O O    . ILE   A 1 90  ? -24.062 -0.053  -5.668  1 41.997  ? 102 ILE   A O    1 ? 1 
ATOM   1282 C CB   . ILE   A 1 90  ? -26.373 -1.231  -4.026  1 46.838  ? 102 ILE   A CB   1 ? 1 
ATOM   1283 C CG1  . ILE   A 1 90  ? -27.764 -1.112  -3.418  1 52.518  ? 102 ILE   A CG1  1 ? 1 
ATOM   1284 C CG2  . ILE   A 1 90  ? -25.549 -2.32   -3.318  1 46.581  ? 102 ILE   A CG2  1 ? 1 
ATOM   1285 C CD1  . ILE   A 1 90  ? -28.702 -2.29   -3.618  1 54.958  ? 102 ILE   A CD1  1 ? 1 
ATOM   1286 H H    . ILE   A 1 90  ? -26.391 1.197   -5.489  1 47.809  ? 102 ILE   A H    1 c 1 
ATOM   1287 H HA   . ILE   A 1 90  ? -25.563 0.339   -2.974  1 43.015  ? 102 ILE   A HA   1 c 1 
ATOM   1288 H HB   . ILE   A 1 90  ? -26.462 -1.466  -4.97   1 49.41   ? 102 ILE   A HB   1 c 1 
ATOM   1289 H HG12 . ILE   A 1 90  ? -27.664 -0.962  -2.456  1 49.953  ? 102 ILE   A HG12 1 c 1 
ATOM   1290 H HG13 . ILE   A 1 90  ? -28.194 -0.317  -3.793  1 52.06   ? 102 ILE   A HG13 1 c 1 
ATOM   1291 H HG21 . ILE   A 1 90  ? -26.062 -3.144  -3.279  1 47.631  ? 102 ILE   A HG21 1 c 1 
ATOM   1292 H HG22 . ILE   A 1 90  ? -25.335 -2.031  -2.415  1 44.675  ? 102 ILE   A HG22 1 c 1 
ATOM   1293 H HG23 . ILE   A 1 90  ? -24.725 -2.479  -3.808  1 45.87   ? 102 ILE   A HG23 1 c 1 
ATOM   1294 H HD11 . ILE   A 1 90  ? -28.853 -2.433  -4.571  1 56.728  ? 102 ILE   A HD11 1 c 1 
ATOM   1295 H HD12 . ILE   A 1 90  ? -29.553 -2.103  -3.179  1 56.071  ? 102 ILE   A HD12 1 c 1 
ATOM   1296 H HD13 . ILE   A 1 90  ? -28.309 -3.094  -3.228  1 54.525  ? 102 ILE   A HD13 1 c 1 
ATOM   1297 N N    . ALA   A 1 91  ? -23.243 -0.111  -3.585  1 39.626  ? 103 ALA   A N    1 ? 1 
ATOM   1298 C CA   . ALA   A 1 91  ? -21.849 -0.197  -3.97   1 38.505  ? 103 ALA   A CA   1 ? 1 
ATOM   1299 C C    . ALA   A 1 91  ? -21.14  -1.273  -3.148  1 36.539  ? 103 ALA   A C    1 ? 1 
ATOM   1300 O O    . ALA   A 1 91  ? -21.552 -1.594  -2.009  1 36.982  ? 103 ALA   A O    1 ? 1 
ATOM   1301 C CB   . ALA   A 1 91  ? -21.175 1.157   -3.745  1 39.838  ? 103 ALA   A CB   1 ? 1 
ATOM   1302 H H    . ALA   A 1 91  ? -23.449 -0.13   -2.695  1 38.615  ? 103 ALA   A H    1 c 1 
ATOM   1303 H HA   . ALA   A 1 91  ? -21.796 -0.443  -4.933  1 40.221  ? 103 ALA   A HA   1 c 1 
ATOM   1304 H HB1  . ALA   A 1 91  ? -21.622 1.837   -4.276  1 39.882  ? 103 ALA   A HB1  1 c 1 
ATOM   1305 H HB2  . ALA   A 1 91  ? -21.228 1.397   -2.805  1 37.842  ? 103 ALA   A HB2  1 c 1 
ATOM   1306 H HB3  . ALA   A 1 91  ? -20.241 1.105   -4.011  1 38.68   ? 103 ALA   A HB3  1 c 1 
ATOM   1307 N N    . HIS   A 1 92  ? -20.064 -1.792  -3.759  1 33.388  ? 104 HIS   A N    1 ? 1 
ATOM   1308 C CA   . HIS   A 1 92  ? -19.134 -2.688  -3.083  1 34.613  ? 104 HIS   A CA   1 ? 1 
ATOM   1309 C C    . HIS   A 1 92  ? -17.842 -1.908  -2.793  1 33.626  ? 104 HIS   A C    1 ? 1 
ATOM   1310 O O    . HIS   A 1 92  ? -17.365 -1.176  -3.66   1 35.73   ? 104 HIS   A O    1 ? 1 
ATOM   1311 C CB   . HIS   A 1 92  ? -18.848 -3.897  -3.978  1 36.666  ? 104 HIS   A CB   1 ? 1 
ATOM   1312 C CG   . HIS   A 1 92  ? -19.943 -4.91   -4.038  1 36.169  ? 104 HIS   A CG   1 ? 1 
ATOM   1313 N ND1  . HIS   A 1 92  ? -19.917 -6.035  -4.811  1 38.95   ? 104 HIS   A ND1  1 ? 1 
ATOM   1314 C CD2  . HIS   A 1 92  ? -21.053 -5.007  -3.285  1 36.861  ? 104 HIS   A CD2  1 ? 1 
ATOM   1315 C CE1  . HIS   A 1 92  ? -21.001 -6.756  -4.583  1 42.166  ? 104 HIS   A CE1  1 ? 1 
ATOM   1316 N NE2  . HIS   A 1 92  ? -21.717 -6.134  -3.659  1 37.709  ? 104 HIS   A NE2  1 ? 1 
ATOM   1317 H H    . HIS   A 1 92  ? -19.903 -1.577  -4.633  1 35.641  ? 104 HIS   A H    1 c 1 
ATOM   1318 H HA   . HIS   A 1 92  ? -19.525 -2.985  -2.228  1 33.773  ? 104 HIS   A HA   1 c 1 
ATOM   1319 H HB2  . HIS   A 1 92  ? -18.666 -3.574  -4.888  1 37.038  ? 104 HIS   A HB2  1 c 1 
ATOM   1320 H HB3  . HIS   A 1 92  ? -18.03  -4.336  -3.657  1 35.544  ? 104 HIS   A HB3  1 c 1 
ATOM   1321 H HD1  . HIS   A 1 92  ? -19.29  -6.216  -5.368  0 30      ? 104 HIS   A HD1  1 c 1 
ATOM   1322 H HD2  . HIS   A 1 92  ? -21.349 -4.387  -2.649  1 35.372  ? 104 HIS   A HD2  1 c 1 
ATOM   1323 H HE1  . HIS   A 1 92  ? -21.23  -7.559  -5.015  1 42.738  ? 104 HIS   A HE1  1 c 1 
ATOM   1324 H HE2  . HIS   A 1 92  ? -22.514 -6.394  -3.357  0 30      ? 104 HIS   A HE2  1 c 1 
ATOM   1325 N N    . LEU   A 1 93  ? -17.302 -2.041  -1.582  1 32.278  ? 105 LEU   A N    1 ? 1 
ATOM   1326 C CA   . LEU   A 1 93  ? -16.015 -1.466  -1.247  1 31.884  ? 105 LEU   A CA   1 ? 1 
ATOM   1327 C C    . LEU   A 1 93  ? -15.116 -2.591  -0.735  1 32.648  ? 105 LEU   A C    1 ? 1 
ATOM   1328 O O    . LEU   A 1 93  ? -15.506 -3.423  0.119   1 31.418  ? 105 LEU   A O    1 ? 1 
ATOM   1329 C CB   . LEU   A 1 93  ? -16.142 -0.396  -0.165  1 29.416  ? 105 LEU   A CB   1 ? 1 
ATOM   1330 C CG   . LEU   A 1 93  ? -17.036 0.808   -0.378  1 31.066  ? 105 LEU   A CG   1 ? 1 
ATOM   1331 C CD1  . LEU   A 1 93  ? -17.05  1.625   0.929   1 36.293  ? 105 LEU   A CD1  1 ? 1 
ATOM   1332 C CD2  . LEU   A 1 93  ? -16.546 1.654   -1.544  1 32.548  ? 105 LEU   A CD2  1 ? 1 
ATOM   1333 H H    . LEU   A 1 93  ? -17.754 -2.508  -0.939  1 32.167  ? 105 LEU   A H    1 c 1 
ATOM   1334 H HA   . LEU   A 1 93  ? -15.62  -1.069  -2.059  1 32.294  ? 105 LEU   A HA   1 c 1 
ATOM   1335 H HB2  . LEU   A 1 93  ? -16.437 -0.844  0.66    1 29.646  ? 105 LEU   A HB2  1 c 1 
ATOM   1336 H HB3  . LEU   A 1 93  ? -15.235 -0.064  0.03    1 29.626  ? 105 LEU   A HB3  1 c 1 
ATOM   1337 H HG   . LEU   A 1 93  ? -17.956 0.493   -0.571  1 32.512  ? 105 LEU   A HG   1 c 1 
ATOM   1338 H HD11 . LEU   A 1 93  ? -17.432 1.089   1.643   1 33.963  ? 105 LEU   A HD11 1 c 1 
ATOM   1339 H HD12 . LEU   A 1 93  ? -17.584 2.427   0.805   1 34.44   ? 105 LEU   A HD12 1 c 1 
ATOM   1340 H HD13 . LEU   A 1 93  ? -16.141 1.876   1.165   1 33.852  ? 105 LEU   A HD13 1 c 1 
ATOM   1341 H HD21 . LEU   A 1 93  ? -16.568 1.126   -2.36   1 33.304  ? 105 LEU   A HD21 1 c 1 
ATOM   1342 H HD22 . LEU   A 1 93  ? -15.635 1.947   -1.373  1 31.997  ? 105 LEU   A HD22 1 c 1 
ATOM   1343 H HD23 . LEU   A 1 93  ? -17.121 2.431   -1.646  1 32.518  ? 105 LEU   A HD23 1 c 1 
ATOM   1344 N N    . LEU   A 1 94  ? -13.885 -2.548  -1.209  1 30.101  ? 106 LEU   A N    1 ? 1 
ATOM   1345 C CA   . LEU   A 1 94  ? -12.766 -3.292  -0.669  1 29.329  ? 106 LEU   A CA   1 ? 1 
ATOM   1346 C C    . LEU   A 1 94  ? -11.724 -2.318  -0.115  1 28.44   ? 106 LEU   A C    1 ? 1 
ATOM   1347 O O    . LEU   A 1 94  ? -11.313 -1.354  -0.796  1 29.671  ? 106 LEU   A O    1 ? 1 
ATOM   1348 C CB   . LEU   A 1 94  ? -12.185 -4.144  -1.788  1 31.581  ? 106 LEU   A CB   1 ? 1 
ATOM   1349 C CG   . LEU   A 1 94  ? -11.126 -5.187  -1.401  1 33.075  ? 106 LEU   A CG   1 ? 1 
ATOM   1350 C CD1  . LEU   A 1 94  ? -11.697 -6.259  -0.463  1 34.716  ? 106 LEU   A CD1  1 ? 1 
ATOM   1351 C CD2  . LEU   A 1 94  ? -10.552 -5.802  -2.652  1 38.182  ? 106 LEU   A CD2  1 ? 1 
ATOM   1352 H H    . LEU   A 1 94  ? -13.725 -2.014  -1.933  1 31.133  ? 106 LEU   A H    1 c 1 
ATOM   1353 H HA   . LEU   A 1 94  ? -13.092 -3.876  0.059   1 29.243  ? 106 LEU   A HA   1 c 1 
ATOM   1354 H HB2  . LEU   A 1 94  ? -12.93  -4.613  -2.23   1 32.398  ? 106 LEU   A HB2  1 c 1 
ATOM   1355 H HB3  . LEU   A 1 94  ? -11.79  -3.539  -2.457  1 32.214  ? 106 LEU   A HB3  1 c 1 
ATOM   1356 H HG   . LEU   A 1 94  ? -10.392 -4.72   -0.923  1 33.203  ? 106 LEU   A HG   1 c 1 
ATOM   1357 H HD11 . LEU   A 1 94  ? -11.956 -5.851  0.38    1 32.948  ? 106 LEU   A HD11 1 c 1 
ATOM   1358 H HD12 . LEU   A 1 94  ? -11.022 -6.939  -0.298  1 34.714  ? 106 LEU   A HD12 1 c 1 
ATOM   1359 H HD13 . LEU   A 1 94  ? -12.475 -6.671  -0.875  1 34.767  ? 106 LEU   A HD13 1 c 1 
ATOM   1360 H HD21 . LEU   A 1 94  ? -10.13  -5.111  -3.19   1 37.587  ? 106 LEU   A HD21 1 c 1 
ATOM   1361 H HD22 . LEU   A 1 94  ? -11.263 -6.221  -3.165  1 38.047  ? 106 LEU   A HD22 1 c 1 
ATOM   1362 H HD23 . LEU   A 1 94  ? -9.89   -6.472  -2.411  1 37.764  ? 106 LEU   A HD23 1 c 1 
ATOM   1363 N N    . ILE   A 1 95  ? -11.274 -2.624  1.101   1 28.539  ? 107 ILE   A N    1 ? 1 
ATOM   1364 C CA   . ILE   A 1 95  ? -10.58  -1.693  1.955   1 30.327  ? 107 ILE   A CA   1 ? 1 
ATOM   1365 C C    . ILE   A 1 95  ? -9.304  -2.295  2.536   1 30.727  ? 107 ILE   A C    1 ? 1 
ATOM   1366 O O    . ILE   A 1 95  ? -9.367  -3.257  3.3     1 28.231  ? 107 ILE   A O    1 ? 1 
ATOM   1367 C CB   . ILE   A 1 95  ? -11.502 -1.212  3.089   1 28.355  ? 107 ILE   A CB   1 ? 1 
ATOM   1368 C CG1  . ILE   A 1 95  ? -12.803 -0.652  2.563   1 26.292  ? 107 ILE   A CG1  1 ? 1 
ATOM   1369 C CG2  . ILE   A 1 95  ? -10.751 -0.234  3.968   1 30.75   ? 107 ILE   A CG2  1 ? 1 
ATOM   1370 C CD1  . ILE   A 1 95  ? -13.932 -0.589  3.608   1 27.16   ? 107 ILE   A CD1  1 ? 1 
ATOM   1371 H H    . ILE   A 1 95  ? -11.406 -3.474  1.412   1 28.997  ? 107 ILE   A H    1 c 1 
ATOM   1372 H HA   . ILE   A 1 95  ? -10.335 -0.916  1.419   1 29.897  ? 107 ILE   A HA   1 c 1 
ATOM   1373 H HB   . ILE   A 1 95  ? -11.722 -1.992  3.637   1 28.549  ? 107 ILE   A HB   1 c 1 
ATOM   1374 H HG12 . ILE   A 1 95  ? -12.64  0.251   2.223   1 27.078  ? 107 ILE   A HG12 1 c 1 
ATOM   1375 H HG13 . ILE   A 1 95  ? -13.106 -1.202  1.814   1 27.573  ? 107 ILE   A HG13 1 c 1 
ATOM   1376 H HG21 . ILE   A 1 95  ? -11.38  0.248   4.529   1 29.36   ? 107 ILE   A HG21 1 c 1 
ATOM   1377 H HG22 . ILE   A 1 95  ? -10.265 0.398   3.412   1 30.234  ? 107 ILE   A HG22 1 c 1 
ATOM   1378 H HG23 . ILE   A 1 95  ? -10.125 -0.716  4.533   1 30.068  ? 107 ILE   A HG23 1 c 1 
ATOM   1379 H HD11 . ILE   A 1 95  ? -14.121 -1.49   3.933   1 26.883  ? 107 ILE   A HD11 1 c 1 
ATOM   1380 H HD12 . ILE   A 1 95  ? -14.736 -0.218  3.199   1 26.814  ? 107 ILE   A HD12 1 c 1 
ATOM   1381 H HD13 . ILE   A 1 95  ? -13.661 -0.026  4.357   1 26.401  ? 107 ILE   A HD13 1 c 1 
ATOM   1382 N N    . LYS   A 1 96  ? -8.155  -1.632  2.249   1 30.896  ? 108 LYS   A N    1 ? 1 
ATOM   1383 C CA   . LYS   A 1 96  ? -6.897  -1.971  2.894   1 31.025  ? 108 LYS   A CA   1 ? 1 
ATOM   1384 C C    . LYS   A 1 96  ? -6.903  -1.539  4.361   1 30.866  ? 108 LYS   A C    1 ? 1 
ATOM   1385 O O    . LYS   A 1 96  ? -7.593  -0.605  4.745   1 28.48   ? 108 LYS   A O    1 ? 1 
ATOM   1386 C CB   . LYS   A 1 96  ? -5.699  -1.409  2.1     1 33.101  ? 108 LYS   A CB   1 ? 1 
ATOM   1387 H H    . LYS   A 1 96  ? -8.168  -0.954  1.635   1 31.112  ? 108 LYS   A H    1 c 1 
ATOM   1388 H HA   . LYS   A 1 96  ? -6.814  -2.956  2.87    1 31.786  ? 108 LYS   A HA   1 c 1 
ATOM   1389 H HB2  . LYS   A 1 96  ? -4.881  -1.737  2.534   0 30      ? 108 LYS   A HB2  1 c 1 
ATOM   1390 H HB3  . LYS   A 1 96  ? -6.05   -0.895  1.359   0 30      ? 108 LYS   A HB3  1 c 1 
ATOM   1391 N N    . PRO   A 1 97  ? -6.07   -2.178  5.207   1 33.041  ? 109 PRO   A N    1 ? 1 
ATOM   1392 C CA   . PRO   A 1 97  ? -6.088  -1.914  6.626   1 34.63   ? 109 PRO   A CA   1 ? 1 
ATOM   1393 C C    . PRO   A 1 97  ? -5.844  -0.466  6.991   1 34.812  ? 109 PRO   A C    1 ? 1 
ATOM   1394 O O    . PRO   A 1 97  ? -6.388  -0.016  7.984   1 31.692  ? 109 PRO   A O    1 ? 1 
ATOM   1395 C CB   . PRO   A 1 97  ? -4.978  -2.802  7.215   1 37.391  ? 109 PRO   A CB   1 ? 1 
ATOM   1396 C CG   . PRO   A 1 97  ? -4.556  -3.737  6.112   1 35.992  ? 109 PRO   A CG   1 ? 1 
ATOM   1397 C CD   . PRO   A 1 97  ? -5.152  -3.263  4.812   1 37.288  ? 109 PRO   A CD   1 ? 1 
ATOM   1398 H HA   . PRO   A 1 97  ? -6.952  -2.196  6.993   1 33.781  ? 109 PRO   A HA   1 c 1 
ATOM   1399 H HB2  . PRO   A 1 97  ? -4.222  -2.259  7.512   1 37.293  ? 109 PRO   A HB2  1 c 1 
ATOM   1400 H HB3  . PRO   A 1 97  ? -5.313  -3.305  7.982   1 36.371  ? 109 PRO   A HB3  1 c 1 
ATOM   1401 H HG2  . PRO   A 1 97  ? -3.581  -3.755  6.043   1 38.061  ? 109 PRO   A HG2  1 c 1 
ATOM   1402 H HG3  . PRO   A 1 97  ? -4.863  -4.643  6.304   1 36.891  ? 109 PRO   A HG3  1 c 1 
ATOM   1403 H HD2  . PRO   A 1 97  ? -4.459  -2.928  4.211   1 37.006  ? 109 PRO   A HD2  1 c 1 
ATOM   1404 H HD3  . PRO   A 1 97  ? -5.639  -3.984  4.369   1 36.033  ? 109 PRO   A HD3  1 c 1 
ATOM   1405 N N    . GLU   A 1 98  ? -5.073  0.271   6.173   1 32.338  ? 110 GLU   A N    1 ? 1 
ATOM   1406 C CA   . GLU   A 1 98  ? -4.757  1.644   6.493   1 34.378  ? 110 GLU   A CA   1 ? 1 
ATOM   1407 C C    . GLU   A 1 98  ? -6.018  2.517   6.543   1 32.74   ? 110 GLU   A C    1 ? 1 
ATOM   1408 O O    . GLU   A 1 98  ? -6.009  3.555   7.2     1 28.735  ? 110 GLU   A O    1 ? 1 
ATOM   1409 C CB   . GLU   A 1 98  ? -3.726  2.2     5.5     1 37.877  ? 110 GLU   A CB   1 ? 1 
ATOM   1410 C CG   . GLU   A 1 98  ? -2.408  1.43    5.605   1 43.507  ? 110 GLU   A CG   1 ? 1 
ATOM   1411 C CD   . GLU   A 1 98  ? -2.352  0.024   4.966   1 47.531  ? 110 GLU   A CD   1 ? 1 
ATOM   1412 O OE1  . GLU   A 1 98  ? -3.214  -0.332  4.127   1 41.348  ? 110 GLU   A OE1  1 ? 1 
ATOM   1413 O OE2  . GLU   A 1 98  ? -1.434  -0.756  5.329   1 54.832  ? 110 GLU   A OE2  1 ? 1 
ATOM   1414 H H    . GLU   A 1 98  ? -4.757  -0.09   5.396   1 34.01   ? 110 GLU   A H    1 c 1 
ATOM   1415 H HA   . GLU   A 1 98  ? -4.343  1.656   7.394   1 34.921  ? 110 GLU   A HA   1 c 1 
ATOM   1416 H HB2  . GLU   A 1 98  ? -4.085  2.131   4.591   1 37.951  ? 110 GLU   A HB2  1 c 1 
ATOM   1417 H HB3  . GLU   A 1 98  ? -3.574  3.149   5.693   1 38.723  ? 110 GLU   A HB3  1 c 1 
ATOM   1418 H HG2  . GLU   A 1 98  ? -1.701  1.974   5.197   1 44.663  ? 110 GLU   A HG2  1 c 1 
ATOM   1419 H HG3  . GLU   A 1 98  ? -2.179  1.339   6.554   1 43.547  ? 110 GLU   A HG3  1 c 1 
ATOM   1420 N N    . TYR   A 1 99  ? -7.07   2.126   5.815   1 29.621  ? 111 TYR   A N    1 ? 1 
ATOM   1421 C CA   . TYR   A 1 99  ? -8.303  2.887   5.824   1 28.858  ? 111 TYR   A CA   1 ? 1 
ATOM   1422 C C    . TYR   A 1 99  ? -9.403  2.188   6.647   1 26.203  ? 111 TYR   A C    1 ? 1 
ATOM   1423 O O    . TYR   A 1 99  ? -10.541 2.618   6.629   1 30.432  ? 111 TYR   A O    1 ? 1 
ATOM   1424 C CB   . TYR   A 1 99  ? -8.781  3.143   4.411   1 27.23   ? 111 TYR   A CB   1 ? 1 
ATOM   1425 C CG   . TYR   A 1 99  ? -7.82   4.029   3.607   1 31.988  ? 111 TYR   A CG   1 ? 1 
ATOM   1426 C CD1  . TYR   A 1 99  ? -6.692  3.508   2.979   1 33.766  ? 111 TYR   A CD1  1 ? 1 
ATOM   1427 C CD2  . TYR   A 1 99  ? -8.068  5.392   3.441   1 34.663  ? 111 TYR   A CD2  1 ? 1 
ATOM   1428 C CE1  . TYR   A 1 99  ? -5.838  4.304   2.217   1 35.732  ? 111 TYR   A CE1  1 ? 1 
ATOM   1429 C CE2  . TYR   A 1 99  ? -7.219  6.199   2.696   1 35.856  ? 111 TYR   A CE2  1 ? 1 
ATOM   1430 C CZ   . TYR   A 1 99  ? -6.094  5.661   2.095   1 38.49   ? 111 TYR   A CZ   1 ? 1 
ATOM   1431 O OH   . TYR   A 1 99  ? -5.264  6.506   1.416   1 37.439  ? 111 TYR   A OH   1 ? 1 
ATOM   1432 H H    . TYR   A 1 99  ? -7.014  1.381   5.29    1 30.164  ? 111 TYR   A H    1 c 1 
ATOM   1433 H HA   . TYR   A 1 99  ? -8.121  3.766   6.243   1 28.685  ? 111 TYR   A HA   1 c 1 
ATOM   1434 H HB2  . TYR   A 1 99  ? -8.884  2.28    3.952   1 28.236  ? 111 TYR   A HB2  1 c 1 
ATOM   1435 H HB3  . TYR   A 1 99  ? -9.662  3.578   4.449   1 27.831  ? 111 TYR   A HB3  1 c 1 
ATOM   1436 H HD1  . TYR   A 1 99  ? -6.507  2.586   3.059   1 33.63   ? 111 TYR   A HD1  1 c 1 
ATOM   1437 H HD2  . TYR   A 1 99  ? -8.827  5.776   3.85    1 33.424  ? 111 TYR   A HD2  1 c 1 
ATOM   1438 H HE1  . TYR   A 1 99  ? -5.066  3.932   1.827   1 37.139  ? 111 TYR   A HE1  1 c 1 
ATOM   1439 H HE2  . TYR   A 1 99  ? -7.393  7.122   2.622   1 36.618  ? 111 TYR   A HE2  1 c 1 
ATOM   1440 H HH   . TYR   A 1 99  ? -4.598  6.059   1.126   0 30      ? 111 TYR   A HH   1 c 1 
ATOM   1441 N N    . ALA   A 1 100 ? -9.019  1.202   7.419   1 28.213  ? 112 ALA   A N    1 ? 1 
ATOM   1442 C CA   . ALA   A 1 100 ? -9.939  0.518   8.333   1 28.922  ? 112 ALA   A CA   1 ? 1 
ATOM   1443 C C    . ALA   A 1 100 ? -9.352  0.535   9.759   1 29      ? 112 ALA   A C    1 ? 1 
ATOM   1444 O O    . ALA   A 1 100 ? -9.442  1.578   10.419  1 27.84   ? 112 ALA   A O    1 ? 1 
ATOM   1445 C CB   . ALA   A 1 100 ? -10.221 -0.852  7.781   1 26.733  ? 112 ALA   A CB   1 ? 1 
ATOM   1446 H H    . ALA   A 1 100 ? -8.149  0.926   7.394   1 28.638  ? 112 ALA   A H    1 c 1 
ATOM   1447 H HA   . ALA   A 1 100 ? -10.791 1.031   8.354   1 27.772  ? 112 ALA   A HA   1 c 1 
ATOM   1448 H HB1  . ALA   A 1 100 ? -10.78  -0.776  6.989   1 26.996  ? 112 ALA   A HB1  1 c 1 
ATOM   1449 H HB2  . ALA   A 1 100 ? -9.386  -1.288  7.541   1 27.799  ? 112 ALA   A HB2  1 c 1 
ATOM   1450 H HB3  . ALA   A 1 100 ? -10.683 -1.387  8.449   1 27.33   ? 112 ALA   A HB3  1 c 1 
ATOM   1451 N N    . TYR   A 1 101 ? -8.793  -0.601  10.232  1 27.682  ? 113 TYR   A N    1 ? 1 
ATOM   1452 C CA   . TYR   A 1 101 ? -8.349  -0.759  11.605  1 29.174  ? 113 TYR   A CA   1 ? 1 
ATOM   1453 C C    . TYR   A 1 101 ? -6.826  -0.88   11.73   1 33.681  ? 113 TYR   A C    1 ? 1 
ATOM   1454 O O    . TYR   A 1 101 ? -6.313  -1.114  12.819  1 30.245  ? 113 TYR   A O    1 ? 1 
ATOM   1455 C CB   . TYR   A 1 101 ? -9.058  -1.943  12.229  1 29.97   ? 113 TYR   A CB   1 ? 1 
ATOM   1456 C CG   . TYR   A 1 101 ? -10.56  -1.702  12.336  1 30.509  ? 113 TYR   A CG   1 ? 1 
ATOM   1457 C CD1  . TYR   A 1 101 ? -11.083 -0.786  13.224  1 27.37   ? 113 TYR   A CD1  1 ? 1 
ATOM   1458 C CD2  . TYR   A 1 101 ? -11.423 -2.244  11.386  1 27.852  ? 113 TYR   A CD2  1 ? 1 
ATOM   1459 C CE1  . TYR   A 1 101 ? -12.45  -0.538  13.29   1 29.299  ? 113 TYR   A CE1  1 ? 1 
ATOM   1460 C CE2  . TYR   A 1 101 ? -12.782 -2.02   11.437  1 27.775  ? 113 TYR   A CE2  1 ? 1 
ATOM   1461 C CZ   . TYR   A 1 101 ? -13.3   -1.116  12.357  1 29.501  ? 113 TYR   A CZ   1 ? 1 
ATOM   1462 O OH   . TYR   A 1 101 ? -14.638 -0.911  12.372  1 26.945  ? 113 TYR   A OH   1 ? 1 
ATOM   1463 H H    . TYR   A 1 101 ? -8.688  -1.309  9.664   1 28.184  ? 113 TYR   A H    1 c 1 
ATOM   1464 H HA   . TYR   A 1 101 ? -8.625  0.052   12.107  1 29.946  ? 113 TYR   A HA   1 c 1 
ATOM   1465 H HB2  . TYR   A 1 101 ? -8.895  -2.74   11.68   1 30.082  ? 113 TYR   A HB2  1 c 1 
ATOM   1466 H HB3  . TYR   A 1 101 ? -8.691  -2.099  13.128  1 31.016  ? 113 TYR   A HB3  1 c 1 
ATOM   1467 H HD1  . TYR   A 1 101 ? -10.512 -0.38   13.856  1 29.411  ? 113 TYR   A HD1  1 c 1 
ATOM   1468 H HD2  . TYR   A 1 101 ? -11.082 -2.853  10.751  1 28.274  ? 113 TYR   A HD2  1 c 1 
ATOM   1469 H HE1  . TYR   A 1 101 ? -12.791 0.064   13.927  1 29.435  ? 113 TYR   A HE1  1 c 1 
ATOM   1470 H HE2  . TYR   A 1 101 ? -13.351 -2.425  10.806  1 27.798  ? 113 TYR   A HE2  1 c 1 
ATOM   1471 H HH   . TYR   A 1 101 ? -14.848 -0.36   13.011  0 30      ? 113 TYR   A HH   1 c 1 
ATOM   1472 N N    . GLY   A 1 102 ? -6.108  -0.849  10.598  1 33.241  ? 114 GLY   A N    1 ? 1 
ATOM   1473 C CA   . GLY   A 1 102 ? -4.658  -0.7    10.61   1 36.4    ? 114 GLY   A CA   1 ? 1 
ATOM   1474 C C    . GLY   A 1 102 ? -3.907  -1.867  11.25   1 38.099  ? 114 GLY   A C    1 ? 1 
ATOM   1475 O O    . GLY   A 1 102 ? -4.4    -2.977  11.402  1 36.375  ? 114 GLY   A O    1 ? 1 
ATOM   1476 H H    . GLY   A 1 102 ? -6.532  -0.929  9.792   1 32.894  ? 114 GLY   A H    1 c 1 
ATOM   1477 H HA2  . GLY   A 1 102 ? -4.347  -0.591  9.681   1 36.066  ? 114 GLY   A HA2  1 c 1 
ATOM   1478 H HA3  . GLY   A 1 102 ? -4.434  0.129   11.095  1 36.655  ? 114 GLY   A HA3  1 c 1 
ATOM   1479 N N    . SER   A 1 103 ? -2.683  -1.584  11.694  1 40.432  ? 115 SER   A N    1 ? 1 
ATOM   1480 C CA   . SER   A 1 103 ? -1.843  -2.636  12.259  1 42.387  ? 115 SER   A CA   1 ? 1 
ATOM   1481 C C    . SER   A 1 103 ? -2.34   -3.018  13.64   1 37.468  ? 115 SER   A C    1 ? 1 
ATOM   1482 O O    . SER   A 1 103 ? -2.116  -4.136  14.055  1 40.407  ? 115 SER   A O    1 ? 1 
ATOM   1483 C CB   . SER   A 1 103 ? -0.365  -2.291  12.273  1 44.01   ? 115 SER   A CB   1 ? 1 
ATOM   1484 O OG   . SER   A 1 103 ? -0.215  -1.03   12.879  1 47.669  ? 115 SER   A OG   1 ? 1 
ATOM   1485 H H    . SER   A 1 103 ? -2.361  -0.73   11.647  1 40.798  ? 115 SER   A H    1 c 1 
ATOM   1486 H HA   . SER   A 1 103 ? -1.951  -3.433  11.685  1 40.674  ? 115 SER   A HA   1 c 1 
ATOM   1487 H HB2  . SER   A 1 103 ? 0.128   -2.965  12.778  1 46.013  ? 115 SER   A HB2  1 c 1 
ATOM   1488 H HB3  . SER   A 1 103 ? -0.022  -2.263  11.36   1 44.799  ? 115 SER   A HB3  1 c 1 
ATOM   1489 H HG   . SER   A 1 103 ? 0.634   -0.836  12.883  0 30      ? 115 SER   A HG   1 c 1 
ATOM   1490 N N    . ALA   A 1 104 ? -2.957  -2.086  14.37   1 38.266  ? 116 ALA   A N    1 ? 1 
ATOM   1491 C CA   . ALA   A 1 104 ? -3.466  -2.394  15.686  1 38.553  ? 116 ALA   A CA   1 ? 1 
ATOM   1492 C C    . ALA   A 1 104 ? -4.635  -3.365  15.601  1 34.583  ? 116 ALA   A C    1 ? 1 
ATOM   1493 O O    . ALA   A 1 104 ? -4.813  -4.195  16.492  1 37.894  ? 116 ALA   A O    1 ? 1 
ATOM   1494 C CB   . ALA   A 1 104 ? -3.861  -1.115  16.428  1 39.274  ? 116 ALA   A CB   1 ? 1 
ATOM   1495 H H    . ALA   A 1 104 ? -3.054  -1.238  14.042  1 37.515  ? 116 ALA   A H    1 c 1 
ATOM   1496 H HA   . ALA   A 1 104 ? -2.737  -2.841  16.198  1 39.749  ? 116 ALA   A HA   1 c 1 
ATOM   1497 H HB1  . ALA   A 1 104 ? -3.083  -0.54   16.525  1 40.316  ? 116 ALA   A HB1  1 c 1 
ATOM   1498 H HB2  . ALA   A 1 104 ? -4.548  -0.644  15.926  1 37.783  ? 116 ALA   A HB2  1 c 1 
ATOM   1499 H HB3  . ALA   A 1 104 ? -4.205  -1.34   17.309  1 39.867  ? 116 ALA   A HB3  1 c 1 
ATOM   1500 N N    . GLY   A 1 105 ? -5.429  -3.247  14.554  1 35.025  ? 117 GLY   A N    1 ? 1 
ATOM   1501 C CA   . GLY   A 1 105 ? -6.682  -3.97   14.471  1 35.784  ? 117 GLY   A CA   1 ? 1 
ATOM   1502 C C    . GLY   A 1 105 ? -7.665  -3.498  15.549  1 36.532  ? 117 GLY   A C    1 ? 1 
ATOM   1503 O O    . GLY   A 1 105 ? -7.552  -2.377  16.059  1 34.709  ? 117 GLY   A O    1 ? 1 
ATOM   1504 H H    . GLY   A 1 105 ? -5.194  -2.694  13.865  1 34.317  ? 117 GLY   A H    1 c 1 
ATOM   1505 H HA2  . GLY   A 1 105 ? -7.078  -3.83   13.579  1 34.333  ? 117 GLY   A HA2  1 c 1 
ATOM   1506 H HA3  . GLY   A 1 105 ? -6.508  -4.934  14.58   1 36.045  ? 117 GLY   A HA3  1 c 1 
ATOM   1507 N N    . SER   A 1 106 ? -8.63   -4.362  15.873  1 35.709  ? 118 SER   A N    1 ? 1 
ATOM   1508 C CA   . SER   A 1 106 ? -9.664  -4.067  16.863  1 34.761  ? 118 SER   A CA   1 ? 1 
ATOM   1509 C C    . SER   A 1 106 ? -10.092 -5.38   17.477  1 34.096  ? 118 SER   A C    1 ? 1 
ATOM   1510 O O    . SER   A 1 106 ? -11.227 -5.804  17.285  1 32.078  ? 118 SER   A O    1 ? 1 
ATOM   1511 C CB   . SER   A 1 106 ? -10.852 -3.332  16.281  1 31.757  ? 118 SER   A CB   1 ? 1 
ATOM   1512 O OG   . SER   A 1 106 ? -11.696 -2.815  17.314  1 33.923  ? 118 SER   A OG   1 ? 1 
ATOM   1513 H H    . SER   A 1 106 ? -8.649  -5.174  15.453  1 35.409  ? 118 SER   A H    1 c 1 
ATOM   1514 H HA   . SER   A 1 106 ? -9.264  -3.506  17.576  1 35.317  ? 118 SER   A HA   1 c 1 
ATOM   1515 H HB2  . SER   A 1 106 ? -10.533 -2.596  15.726  1 31.637  ? 118 SER   A HB2  1 c 1 
ATOM   1516 H HB3  . SER   A 1 106 ? -11.364 -3.939  15.714  1 31.795  ? 118 SER   A HB3  1 c 1 
ATOM   1517 H HG   . SER   A 1 106 ? -12.33  -2.4    16.918  0 30      ? 118 SER   A HG   1 c 1 
ATOM   1518 N N    . LEU   A 1 107 ? -9.134  -5.986  18.174  1 35.471  ? 119 LEU   A N    1 ? 1 
ATOM   1519 C CA   . LEU   A 1 107 ? -9.274  -7.312  18.751  1 36.461  ? 119 LEU   A CA   1 ? 1 
ATOM   1520 C C    . LEU   A 1 107 ? -10.228 -7.261  19.922  1 38.904  ? 119 LEU   A C    1 ? 1 
ATOM   1521 O O    . LEU   A 1 107 ? -10.268 -6.255  20.642  1 40.786  ? 119 LEU   A O    1 ? 1 
ATOM   1522 C CB   . LEU   A 1 107 ? -7.913  -7.826  19.12   1 39.797  ? 119 LEU   A CB   1 ? 1 
ATOM   1523 C CG   . LEU   A 1 107 ? -7.096  -8.338  17.92   1 42.712  ? 119 LEU   A CG   1 ? 1 
ATOM   1524 C CD1  . LEU   A 1 107 ? -5.67   -8.657  18.345  1 51.746  ? 119 LEU   A CD1  1 ? 1 
ATOM   1525 C CD2  . LEU   A 1 107 ? -7.752  -9.587  17.335  1 41.205  ? 119 LEU   A CD2  1 ? 1 
ATOM   1526 H H    . LEU   A 1 107 ? -8.344  -5.542  18.298  1 35.83   ? 119 LEU   A H    1 c 1 
ATOM   1527 H HA   . LEU   A 1 107 ? -9.661  -7.894  18.056  1 36.428  ? 119 LEU   A HA   1 c 1 
ATOM   1528 H HB2  . LEU   A 1 107 ? -7.411  -7.101  19.558  1 40.631  ? 119 LEU   A HB2  1 c 1 
ATOM   1529 H HB3  . LEU   A 1 107 ? -8.022  -8.563  19.763  1 41.617  ? 119 LEU   A HB3  1 c 1 
ATOM   1530 H HG   . LEU   A 1 107 ? -7.074  -7.631  17.224  1 41.481  ? 119 LEU   A HG   1 c 1 
ATOM   1531 H HD11 . LEU   A 1 107 ? -5.239  -7.848  18.671  1 49.69   ? 119 LEU   A HD11 1 c 1 
ATOM   1532 H HD12 . LEU   A 1 107 ? -5.174  -9.002  17.584  1 49.058  ? 119 LEU   A HD12 1 c 1 
ATOM   1533 H HD13 . LEU   A 1 107 ? -5.683  -9.323  19.052  1 50.93   ? 119 LEU   A HD13 1 c 1 
ATOM   1534 H HD21 . LEU   A 1 107 ? -8.584  -9.345  16.896  1 40.355  ? 119 LEU   A HD21 1 c 1 
ATOM   1535 H HD22 . LEU   A 1 107 ? -7.935  -10.222 18.048  1 42.968  ? 119 LEU   A HD22 1 c 1 
ATOM   1536 H HD23 . LEU   A 1 107 ? -7.153  -9.994  16.686  1 41.552  ? 119 LEU   A HD23 1 c 1 
ATOM   1537 N N    . PRO   A 1 108 ? -11.027 -8.325  20.14   1 42.136  ? 120 PRO   A N    1 ? 1 
ATOM   1538 C CA   . PRO   A 1 108 ? -10.896 -9.563  19.397  1 40.76   ? 120 PRO   A CA   1 ? 1 
ATOM   1539 C C    . PRO   A 1 108 ? -11.687 -9.658  18.095  1 38.776  ? 120 PRO   A C    1 ? 1 
ATOM   1540 O O    . PRO   A 1 108 ? -11.492 -10.624 17.376  1 36.971  ? 120 PRO   A O    1 ? 1 
ATOM   1541 C CB   . PRO   A 1 108 ? -11.394 -10.617 20.406  1 44.419  ? 120 PRO   A CB   1 ? 1 
ATOM   1542 C CG   . PRO   A 1 108 ? -12.333 -9.878  21.302  1 46.177  ? 120 PRO   A CG   1 ? 1 
ATOM   1543 C CD   . PRO   A 1 108 ? -11.926 -8.449  21.305  1 46.32   ? 120 PRO   A CD   1 ? 1 
ATOM   1544 H HA   . PRO   A 1 108 ? -9.951  -9.733  19.211  1 41.249  ? 120 PRO   A HA   1 c 1 
ATOM   1545 H HB2  . PRO   A 1 108 ? -11.854 -11.348 19.948  1 44.398  ? 120 PRO   A HB2  1 c 1 
ATOM   1546 H HB3  . PRO   A 1 108 ? -10.647 -10.988 20.916  1 45.723  ? 120 PRO   A HB3  1 c 1 
ATOM   1547 H HG2  . PRO   A 1 108 ? -13.252 -9.964  20.978  1 45.853  ? 120 PRO   A HG2  1 c 1 
ATOM   1548 H HG3  . PRO   A 1 108 ? -12.292 -10.24  22.209  1 48.278  ? 120 PRO   A HG3  1 c 1 
ATOM   1549 H HD2  . PRO   A 1 108 ? -12.699 -7.864  21.209  1 44.955  ? 120 PRO   A HD2  1 c 1 
ATOM   1550 H HD3  . PRO   A 1 108 ? -11.452 -8.22   22.128  1 46.877  ? 120 PRO   A HD3  1 c 1 
ATOM   1551 N N    . LYS   A 1 109 ? -12.485 -8.662  17.696  1 38.698  ? 121 LYS   A N    1 ? 1 
ATOM   1552 C CA   . LYS   A 1 109 ? -13.26  -8.898  16.489  1 42.647  ? 121 LYS   A CA   1 ? 1 
ATOM   1553 C C    . LYS   A 1 109 ? -12.46  -8.69   15.197  1 38.389  ? 121 LYS   A C    1 ? 1 
ATOM   1554 O O    . LYS   A 1 109 ? -12.715 -9.389  14.222  1 35.438  ? 121 LYS   A O    1 ? 1 
ATOM   1555 C CB   . LYS   A 1 109 ? -14.644 -8.27   16.455  1 47.48   ? 121 LYS   A CB   1 ? 1 
ATOM   1556 C CG   . LYS   A 1 109 ? -15.038 -7.085  15.643  1 48.061  ? 121 LYS   A CG   1 ? 1 
ATOM   1557 C CD   . LYS   A 1 109 ? -16.553 -7.111  15.51   1 52.017  ? 121 LYS   A CD   1 ? 1 
ATOM   1558 C CE   . LYS   A 1 109 ? -17.245 -7.422  16.839  1 58.79   ? 121 LYS   A CE   1 ? 1 
ATOM   1559 N NZ   . LYS   A 1 109 ? -18.574 -8.003  16.663  1 64.973  ? 121 LYS   A NZ   1 ? 1 
ATOM   1560 H H    . LYS   A 1 109 ? -12.549 -7.87   18.147  1 39.341  ? 121 LYS   A H    1 c 1 
ATOM   1561 H HA   . LYS   A 1 109 ? -13.479 -9.865  16.5    1 42.852  ? 121 LYS   A HA   1 c 1 
ATOM   1562 H HB2  . LYS   A 1 109 ? -15.251 -9      16.194  1 47.443  ? 121 LYS   A HB2  1 c 1 
ATOM   1563 H HB3  . LYS   A 1 109 ? -14.856 -8.055  17.391  1 47.841  ? 121 LYS   A HB3  1 c 1 
ATOM   1564 H HG2  . LYS   A 1 109 ? -14.752 -6.262  16.1    1 48.02   ? 121 LYS   A HG2  1 c 1 
ATOM   1565 H HG3  . LYS   A 1 109 ? -14.62  -7.132  14.757  1 47.069  ? 121 LYS   A HG3  1 c 1 
ATOM   1566 H HD2  . LYS   A 1 109 ? -16.861 -6.237  15.186  1 51.265  ? 121 LYS   A HD2  1 c 1 
ATOM   1567 H HD3  . LYS   A 1 109 ? -16.805 -7.789  14.847  1 52.188  ? 121 LYS   A HD3  1 c 1 
ATOM   1568 H HE2  . LYS   A 1 109 ? -16.724 -8.05   17.369  1 59.5    ? 121 LYS   A HE2  1 c 1 
ATOM   1569 H HE3  . LYS   A 1 109 ? -17.329 -6.6    17.356  1 58.818  ? 121 LYS   A HE3  1 c 1 
ATOM   1570 H HZ1  . LYS   A 1 109 ? -18.568 -8.607  15.987  1 63.049  ? 121 LYS   A HZ1  1 c 1 
ATOM   1571 H HZ2  . LYS   A 1 109 ? -19.169 -7.346  16.47   1 62.96   ? 121 LYS   A HZ2  1 c 1 
ATOM   1572 H HZ3  . LYS   A 1 109 ? -18.829 -8.418  17.427  1 64.919  ? 121 LYS   A HZ3  1 c 1 
ATOM   1573 N N    . ILE   A 1 110 ? -11.513 -7.746  15.154  1 31.227  ? 122 ILE   A N    1 ? 1 
ATOM   1574 C CA   . ILE   A 1 110 ? -10.823 -7.491  13.906  1 31.648  ? 122 ILE   A CA   1 ? 1 
ATOM   1575 C C    . ILE   A 1 110 ? -9.34   -7.692  14.139  1 32.428  ? 122 ILE   A C    1 ? 1 
ATOM   1576 O O    . ILE   A 1 110 ? -8.764  -6.973  14.953  1 34.212  ? 122 ILE   A O    1 ? 1 
ATOM   1577 C CB   . ILE   A 1 110 ? -11.044 -6.063  13.366  1 32.352  ? 122 ILE   A CB   1 ? 1 
ATOM   1578 C CG1  . ILE   A 1 110 ? -12.461 -5.542  13.383  1 34.27   ? 122 ILE   A CG1  1 ? 1 
ATOM   1579 C CG2  . ILE   A 1 110 ? -10.384 -5.888  11.987  1 31.775  ? 122 ILE   A CG2  1 ? 1 
ATOM   1580 C CD1  . ILE   A 1 110 ? -13.422 -6.269  12.509  1 36.394  ? 122 ILE   A CD1  1 ? 1 
ATOM   1581 H H    . ILE   A 1 110 ? -11.301 -7.26   15.898  1 33.425  ? 122 ILE   A H    1 c 1 
ATOM   1582 H HA   . ILE   A 1 110 ? -11.132 -8.125  13.237  1 31.673  ? 122 ILE   A HA   1 c 1 
ATOM   1583 H HB   . ILE   A 1 110 ? -10.549 -5.475  13.971  1 32.695  ? 122 ILE   A HB   1 c 1 
ATOM   1584 H HG12 . ILE   A 1 110 ? -12.793 -5.577  14.303  1 34.954  ? 122 ILE   A HG12 1 c 1 
ATOM   1585 H HG13 . ILE   A 1 110 ? -12.447 -4.602  13.111  1 33.416  ? 122 ILE   A HG13 1 c 1 
ATOM   1586 H HG21 . ILE   A 1 110 ? -10.648 -5.033  11.606  1 30.883  ? 122 ILE   A HG21 1 c 1 
ATOM   1587 H HG22 . ILE   A 1 110 ? -10.669 -6.605  11.396  1 31.733  ? 122 ILE   A HG22 1 c 1 
ATOM   1588 H HG23 . ILE   A 1 110 ? -9.417  -5.912  12.081  1 32.133  ? 122 ILE   A HG23 1 c 1 
ATOM   1589 H HD11 . ILE   A 1 110 ? -13.159 -6.171  11.575  1 34.983  ? 122 ILE   A HD11 1 c 1 
ATOM   1590 H HD12 . ILE   A 1 110 ? -14.315 -5.896  12.635  1 35.583  ? 122 ILE   A HD12 1 c 1 
ATOM   1591 H HD13 . ILE   A 1 110 ? -13.431 -7.216  12.745  1 36.559  ? 122 ILE   A HD13 1 c 1 
ATOM   1592 N N    . PRO   A 1 111 ? -8.649  -8.555  13.365  1 34.447  ? 123 PRO   A N    1 ? 1 
ATOM   1593 C CA   . PRO   A 1 111 ? -7.22   -8.741  13.558  1 36.134  ? 123 PRO   A CA   1 ? 1 
ATOM   1594 C C    . PRO   A 1 111 ? -6.405  -7.597  12.969  1 34.073  ? 123 PRO   A C    1 ? 1 
ATOM   1595 O O    . PRO   A 1 111 ? -6.881  -6.765  12.208  1 36.065  ? 123 PRO   A O    1 ? 1 
ATOM   1596 C CB   . PRO   A 1 111 ? -6.922  -10.067 12.906  1 40.444  ? 123 PRO   A CB   1 ? 1 
ATOM   1597 C CG   . PRO   A 1 111 ? -8.138  -10.415 12.083  1 39.216  ? 123 PRO   A CG   1 ? 1 
ATOM   1598 C CD   . PRO   A 1 111 ? -9.193  -9.376  12.279  1 35.024  ? 123 PRO   A CD   1 ? 1 
ATOM   1599 H HA   . PRO   A 1 111 ? -7.032  -8.81   14.517  1 37.323  ? 123 PRO   A HA   1 c 1 
ATOM   1600 H HB2  . PRO   A 1 111 ? -6.13   -10.002 12.337  1 39.676  ? 123 PRO   A HB2  1 c 1 
ATOM   1601 H HB3  . PRO   A 1 111 ? -6.756  -10.753 13.582  1 40.83   ? 123 PRO   A HB3  1 c 1 
ATOM   1602 H HG2  . PRO   A 1 111 ? -7.898  -10.467 11.136  1 38.315  ? 123 PRO   A HG2  1 c 1 
ATOM   1603 H HG3  . PRO   A 1 111 ? -8.484  -11.29  12.354  1 39.555  ? 123 PRO   A HG3  1 c 1 
ATOM   1604 H HD2  . PRO   A 1 111 ? -9.322  -8.841  11.471  1 34.41   ? 123 PRO   A HD2  1 c 1 
ATOM   1605 H HD3  . PRO   A 1 111 ? -10.043 -9.781  12.539  1 35.65   ? 123 PRO   A HD3  1 c 1 
ATOM   1606 N N    . SER   A 1 112 ? -5.156  -7.573  13.368  1 35.877  ? 124 SER   A N    1 ? 1 
ATOM   1607 C CA   . SER   A 1 112 ? -4.151  -6.712  12.793  1 39.203  ? 124 SER   A CA   1 ? 1 
ATOM   1608 C C    . SER   A 1 112 ? -4.141  -6.824  11.266  1 36.021  ? 124 SER   A C    1 ? 1 
ATOM   1609 O O    . SER   A 1 112 ? -4.303  -7.877  10.696  1 36.274  ? 124 SER   A O    1 ? 1 
ATOM   1610 C CB   . SER   A 1 112 ? -2.799  -7.104  13.418  1 46.257  ? 124 SER   A CB   1 ? 1 
ATOM   1611 O OG   . SER   A 1 112 ? -1.827  -6.203  12.921  1 54.432  ? 124 SER   A OG   1 ? 1 
ATOM   1612 H H    . SER   A 1 112 ? -4.907  -8.133  14.047  1 37.741  ? 124 SER   A H    1 c 1 
ATOM   1613 H HA   . SER   A 1 112 ? -4.359  -5.776  13.044  1 38.304  ? 124 SER   A HA   1 c 1 
ATOM   1614 H HB2  . SER   A 1 112 ? -2.849  -7.039  14.391  1 47.388  ? 124 SER   A HB2  1 c 1 
ATOM   1615 H HB3  . SER   A 1 112 ? -2.568  -8.018  13.167  1 47.411  ? 124 SER   A HB3  1 c 1 
ATOM   1616 H HG   . SER   A 1 112 ? -1.073  -6.366  13.25   0 30      ? 124 SER   A HG   1 c 1 
ATOM   1617 N N    . ASN   A 1 113 ? -4.011  -5.707  10.594  1 36.35   ? 125 ASN   A N    1 ? 1 
ATOM   1618 C CA   . ASN   A 1 113 ? -3.734  -5.674  9.165   1 36.593  ? 125 ASN   A CA   1 ? 1 
ATOM   1619 C C    . ASN   A 1 113 ? -4.846  -6.368  8.362   1 38.412  ? 125 ASN   A C    1 ? 1 
ATOM   1620 O O    . ASN   A 1 113 ? -4.566  -7.083  7.377   1 36.161  ? 125 ASN   A O    1 ? 1 
ATOM   1621 C CB   . ASN   A 1 113 ? -2.35   -6.251  8.922   1 39.683  ? 125 ASN   A CB   1 ? 1 
ATOM   1622 C CG   . ASN   A 1 113 ? -1.228  -5.441  9.547   1 37.919  ? 125 ASN   A CG   1 ? 1 
ATOM   1623 O OD1  . ASN   A 1 113 ? -0.297  -6.012  10.14   1 39.294  ? 125 ASN   A OD1  1 ? 1 
ATOM   1624 N ND2  . ASN   A 1 113 ? -1.275  -4.129  9.386   1 35.477  ? 125 ASN   A ND2  1 ? 1 
ATOM   1625 H H    . ASN   A 1 113 ? -4.1    -4.913  11.037  1 35.931  ? 125 ASN   A H    1 c 1 
ATOM   1626 H HA   . ASN   A 1 113 ? -3.711  -4.734  8.888   1 36.712  ? 125 ASN   A HA   1 c 1 
ATOM   1627 H HB2  . ASN   A 1 113 ? -2.316  -7.162  9.276   1 39.311  ? 125 ASN   A HB2  1 c 1 
ATOM   1628 H HB3  . ASN   A 1 113 ? -2.196  -6.303  7.958   1 38.79   ? 125 ASN   A HB3  1 c 1 
ATOM   1629 H HD21 . ASN   A 1 113 ? -0.683  -3.618  9.799   1 37.107  ? 125 ASN   A HD21 1 c 1 
ATOM   1630 H HD22 . ASN   A 1 113 ? -1.874  -3.757  8.849   1 35.034  ? 125 ASN   A HD22 1 c 1 
ATOM   1631 N N    . ALA   A 1 114 ? -6.108  -6.136  8.755   1 34.408  ? 126 ALA   A N    1 ? 1 
ATOM   1632 C CA   . ALA   A 1 114 ? -7.215  -6.801  8.103   1 34.526  ? 126 ALA   A CA   1 ? 1 
ATOM   1633 C C    . ALA   A 1 114 ? -7.723  -5.996  6.893   1 31.776  ? 126 ALA   A C    1 ? 1 
ATOM   1634 O O    . ALA   A 1 114 ? -7.902  -4.797  6.985   1 27.603  ? 126 ALA   A O    1 ? 1 
ATOM   1635 C CB   . ALA   A 1 114 ? -8.308  -7.08   9.082   1 35.376  ? 126 ALA   A CB   1 ? 1 
ATOM   1636 H H    . ALA   A 1 114 ? -6.277  -5.551  9.436   1 34.856  ? 126 ALA   A H    1 c 1 
ATOM   1637 H HA   . ALA   A 1 114 ? -6.881  -7.675  7.76    1 35.08   ? 126 ALA   A HA   1 c 1 
ATOM   1638 H HB1  . ALA   A 1 114 ? -7.971  -7.646  9.796   1 35.829  ? 126 ALA   A HB1  1 c 1 
ATOM   1639 H HB2  . ALA   A 1 114 ? -8.631  -6.245  9.459   1 34.342  ? 126 ALA   A HB2  1 c 1 
ATOM   1640 H HB3  . ALA   A 1 114 ? -9.042  -7.534  8.633   1 34.884  ? 126 ALA   A HB3  1 c 1 
ATOM   1641 N N    . THR   A 1 115 ? -7.987  -6.701  5.776   1 28.258  ? 127 THR   A N    1 ? 1 
ATOM   1642 C CA   . THR   A 1 115 ? -8.718  -6.169  4.639   1 29.402  ? 127 THR   A CA   1 ? 1 
ATOM   1643 C C    . THR   A 1 115 ? -10.204 -6.458  4.835   1 28.907  ? 127 THR   A C    1 ? 1 
ATOM   1644 O O    . THR   A 1 115 ? -10.549 -7.565  5.221   1 29.286  ? 127 THR   A O    1 ? 1 
ATOM   1645 C CB   . THR   A 1 115 ? -8.181  -6.837  3.374   1 31.064  ? 127 THR   A CB   1 ? 1 
ATOM   1646 O OG1  . THR   A 1 115 ? -6.84   -6.378  3.291   1 31.742  ? 127 THR   A OG1  1 ? 1 
ATOM   1647 C CG2  . THR   A 1 115 ? -8.9    -6.41   2.106   1 33.912  ? 127 THR   A CG2  1 ? 1 
ATOM   1648 H H    . THR   A 1 115 ? -7.691  -7.564  5.73    1 30.453  ? 127 THR   A H    1 c 1 
ATOM   1649 H HA   . THR   A 1 115 ? -8.572  -5.201  4.585   1 28.606  ? 127 THR   A HA   1 c 1 
ATOM   1650 H HB   . THR   A 1 115 ? -8.194  -7.819  3.464   1 32.32   ? 127 THR   A HB   1 c 1 
ATOM   1651 H HG1  . THR   A 1 115 ? -6.778  -5.535  3.246   0 30      ? 127 THR   A HG1  1 c 1 
ATOM   1652 H HG21 . THR   A 1 115 ? -8.478  -6.83   1.338   1 34.135  ? 127 THR   A HG21 1 c 1 
ATOM   1653 H HG22 . THR   A 1 115 ? -8.85   -5.444  2.014   1 32.416  ? 127 THR   A HG22 1 c 1 
ATOM   1654 H HG23 . THR   A 1 115 ? -9.832  -6.683  2.151   1 32.744  ? 127 THR   A HG23 1 c 1 
ATOM   1655 N N    . LEU   A 1 116 ? -11.038 -5.451  4.595   1 26.024  ? 128 LEU   A N    1 ? 1 
ATOM   1656 C CA   . LEU   A 1 116 ? -12.488 -5.539  4.782   1 28.626  ? 128 LEU   A CA   1 ? 1 
ATOM   1657 C C    . LEU   A 1 116 ? -13.193 -5.348  3.442   1 29.886  ? 128 LEU   A C    1 ? 1 
ATOM   1658 O O    . LEU   A 1 116 ? -12.711 -4.631  2.568   1 30.936  ? 128 LEU   A O    1 ? 1 
ATOM   1659 C CB   . LEU   A 1 116 ? -13.066 -4.479  5.721   1 30.063  ? 128 LEU   A CB   1 ? 1 
ATOM   1660 C CG   . LEU   A 1 116 ? -12.409 -4.296  7.101   1 34.307  ? 128 LEU   A CG   1 ? 1 
ATOM   1661 C CD1  . LEU   A 1 116 ? -13.384 -3.602  8.049   1 33.718  ? 128 LEU   A CD1  1 ? 1 
ATOM   1662 C CD2  . LEU   A 1 116 ? -11.942 -5.449  7.8     1 34.536  ? 128 LEU   A CD2  1 ? 1 
ATOM   1663 H H    . LEU   A 1 116 ? -10.692 -4.661  4.294   1 26.822  ? 128 LEU   A H    1 c 1 
ATOM   1664 H HA   . LEU   A 1 116 ? -12.707 -6.439  5.133   1 29.18   ? 128 LEU   A HA   1 c 1 
ATOM   1665 H HB2  . LEU   A 1 116 ? -13.038 -3.612  5.254   1 29.992  ? 128 LEU   A HB2  1 c 1 
ATOM   1666 H HB3  . LEU   A 1 116 ? -14.019 -4.689  5.862   1 30.544  ? 128 LEU   A HB3  1 c 1 
ATOM   1667 H HG   . LEU   A 1 116 ? -11.632 -3.691  6.983   1 33.127  ? 128 LEU   A HG   1 c 1 
ATOM   1668 H HD11 . LEU   A 1 116 ? -13.664 -2.755  7.662   1 33.318  ? 128 LEU   A HD11 1 c 1 
ATOM   1669 H HD12 . LEU   A 1 116 ? -12.948 -3.438  8.901   1 33.834  ? 128 LEU   A HD12 1 c 1 
ATOM   1670 H HD13 . LEU   A 1 116 ? -14.162 -4.167  8.187   1 34.084  ? 128 LEU   A HD13 1 c 1 
ATOM   1671 H HD21 . LEU   A 1 116 ? -11.281 -5.912  7.262   1 35.002  ? 128 LEU   A HD21 1 c 1 
ATOM   1672 H HD22 . LEU   A 1 116 ? -12.689 -6.044  7.977   1 35.066  ? 128 LEU   A HD22 1 c 1 
ATOM   1673 H HD23 . LEU   A 1 116 ? -11.538 -5.179  8.642   1 34.724  ? 128 LEU   A HD23 1 c 1 
ATOM   1674 N N    . PHE   A 1 117 ? -14.372 -5.982  3.365   1 32.008  ? 129 PHE   A N    1 ? 1 
ATOM   1675 C CA   . PHE   A 1 117 ? -15.285 -5.871  2.256   1 30.027  ? 129 PHE   A CA   1 ? 1 
ATOM   1676 C C    . PHE   A 1 117 ? -16.665 -5.445  2.762   1 30.851  ? 129 PHE   A C    1 ? 1 
ATOM   1677 O O    . PHE   A 1 117 ? -17.165 -6.007  3.736   1 30.338  ? 129 PHE   A O    1 ? 1 
ATOM   1678 C CB   . PHE   A 1 117 ? -15.327 -7.212  1.543   1 30.63   ? 129 PHE   A CB   1 ? 1 
ATOM   1679 C CG   . PHE   A 1 117 ? -16.363 -7.181  0.443   1 32.296  ? 129 PHE   A CG   1 ? 1 
ATOM   1680 C CD1  . PHE   A 1 117 ? -16.026 -6.74   -0.846  1 35.106  ? 129 PHE   A CD1  1 ? 1 
ATOM   1681 C CD2  . PHE   A 1 117 ? -17.674 -7.55   0.702   1 34.254  ? 129 PHE   A CD2  1 ? 1 
ATOM   1682 C CE1  . PHE   A 1 117 ? -16.982 -6.67   -1.824  1 35.553  ? 129 PHE   A CE1  1 ? 1 
ATOM   1683 C CE2  . PHE   A 1 117 ? -18.618 -7.485  -0.299  1 40.4    ? 129 PHE   A CE2  1 ? 1 
ATOM   1684 C CZ   . PHE   A 1 117 ? -18.276 -7.018  -1.56   1 36.549  ? 129 PHE   A CZ   1 ? 1 
ATOM   1685 H H    . PHE   A 1 117 ? -14.615 -6.521  4.062   1 31.168  ? 129 PHE   A H    1 c 1 
ATOM   1686 H HA   . PHE   A 1 117 ? -14.945 -5.185  1.627   1 30.302  ? 129 PHE   A HA   1 c 1 
ATOM   1687 H HB2  . PHE   A 1 117 ? -14.442 -7.401  1.157   1 31.273  ? 129 PHE   A HB2  1 c 1 
ATOM   1688 H HB3  . PHE   A 1 117 ? -15.555 -7.916  2.19    1 31.324  ? 129 PHE   A HB3  1 c 1 
ATOM   1689 H HD1  . PHE   A 1 117 ? -15.142 -6.468  -1.032  1 34.081  ? 129 PHE   A HD1  1 c 1 
ATOM   1690 H HD2  . PHE   A 1 117 ? -17.92  -7.841  1.566   1 34.78   ? 129 PHE   A HD2  1 c 1 
ATOM   1691 H HE1  . PHE   A 1 117 ? -16.744 -6.371  -2.687  1 36.471  ? 129 PHE   A HE1  1 c 1 
ATOM   1692 H HE2  . PHE   A 1 117 ? -19.508 -7.732  -0.117  1 38.828  ? 129 PHE   A HE2  1 c 1 
ATOM   1693 H HZ   . PHE   A 1 117 ? -18.921 -6.998  -2.248  1 38.58   ? 129 PHE   A HZ   1 c 1 
ATOM   1694 N N    . PHE   A 1 118 ? -17.299 -4.481  2.069   1 29.574  ? 130 PHE   A N    1 ? 1 
ATOM   1695 C CA   . PHE   A 1 118 ? -18.677 -4.149  2.37    1 31.281  ? 130 PHE   A CA   1 ? 1 
ATOM   1696 C C    . PHE   A 1 118 ? -19.517 -4.073  1.094   1 32.874  ? 130 PHE   A C    1 ? 1 
ATOM   1697 O O    . PHE   A 1 118 ? -19.042 -3.642  0.043   1 34.458  ? 130 PHE   A O    1 ? 1 
ATOM   1698 C CB   . PHE   A 1 118 ? -18.795 -2.792  3.071   1 29.12   ? 130 PHE   A CB   1 ? 1 
ATOM   1699 C CG   . PHE   A 1 118 ? -18.2   -2.703  4.468   1 28.95   ? 130 PHE   A CG   1 ? 1 
ATOM   1700 C CD1  . PHE   A 1 118 ? -16.847 -2.411  4.624   1 28.53   ? 130 PHE   A CD1  1 ? 1 
ATOM   1701 C CD2  . PHE   A 1 118 ? -19.002 -2.869  5.619   1 29.653  ? 130 PHE   A CD2  1 ? 1 
ATOM   1702 C CE1  . PHE   A 1 118 ? -16.295 -2.308  5.896   1 30.455  ? 130 PHE   A CE1  1 ? 1 
ATOM   1703 C CE2  . PHE   A 1 118 ? -18.434 -2.772  6.877   1 30.654  ? 130 PHE   A CE2  1 ? 1 
ATOM   1704 C CZ   . PHE   A 1 118 ? -17.091 -2.497  7.006   1 28.276  ? 130 PHE   A CZ   1 ? 1 
ATOM   1705 H H    . PHE   A 1 118 ? -16.864 -4.03   1.404   1 30.09   ? 130 PHE   A H    1 c 1 
ATOM   1706 H HA   . PHE   A 1 118 ? -19.053 -4.849  2.962   1 31.353  ? 130 PHE   A HA   1 c 1 
ATOM   1707 H HB2  . PHE   A 1 118 ? -18.362 -2.116  2.504   1 29.172  ? 130 PHE   A HB2  1 c 1 
ATOM   1708 H HB3  . PHE   A 1 118 ? -19.748 -2.557  3.124   1 29.99   ? 130 PHE   A HB3  1 c 1 
ATOM   1709 H HD1  . PHE   A 1 118 ? -16.304 -2.288  3.862   1 28.95   ? 130 PHE   A HD1  1 c 1 
ATOM   1710 H HD2  . PHE   A 1 118 ? -19.921 -3.065  5.528   1 30.677  ? 130 PHE   A HD2  1 c 1 
ATOM   1711 H HE1  . PHE   A 1 118 ? -15.375 -2.123  5.998   1 28.946  ? 130 PHE   A HE1  1 c 1 
ATOM   1712 H HE2  . PHE   A 1 118 ? -18.968 -2.894  7.646   1 30.383  ? 130 PHE   A HE2  1 c 1 
ATOM   1713 H HZ   . PHE   A 1 118 ? -16.712 -2.426  7.867   1 29.119  ? 130 PHE   A HZ   1 c 1 
ATOM   1714 N N    . GLU   A 1 119 ? -20.789 -4.423  1.254   1 31.955  ? 131 GLU   A N    1 ? 1 
ATOM   1715 C CA   . GLU   A 1 119 ? -21.846 -4.002  0.362   1 35.006  ? 131 GLU   A CA   1 ? 1 
ATOM   1716 C C    . GLU   A 1 119 ? -22.652 -2.945  1.106   1 36.203  ? 131 GLU   A C    1 ? 1 
ATOM   1717 O O    . GLU   A 1 119 ? -23.16  -3.233  2.182   1 38.071  ? 131 GLU   A O    1 ? 1 
ATOM   1718 C CB   . GLU   A 1 119 ? -22.649 -5.209  -0.105  1 34.393  ? 131 GLU   A CB   1 ? 1 
ATOM   1719 C CG   . GLU   A 1 119 ? -23.803 -4.926  -1.074  1 37.68   ? 131 GLU   A CG   1 ? 1 
ATOM   1720 C CD   . GLU   A 1 119 ? -24.49  -6.208  -1.481  1 40.298  ? 131 GLU   A CD   1 ? 1 
ATOM   1721 O OE1  . GLU   A 1 119 ? -24.044 -6.985  -2.376  1 38.52   ? 131 GLU   A OE1  1 ? 1 
ATOM   1722 O OE2  . GLU   A 1 119 ? -25.495 -6.471  -0.793  1 42.961  ? 131 GLU   A OE2  1 ? 1 
ATOM   1723 H H    . GLU   A 1 119 ? -21.01  -4.959  1.96    1 33.015  ? 131 GLU   A H    1 c 1 
ATOM   1724 H HA   . GLU   A 1 119 ? -21.433 -3.582  -0.433  1 34.393  ? 131 GLU   A HA   1 c 1 
ATOM   1725 H HB2  . GLU   A 1 119 ? -22.037 -5.839  -0.539  1 35.65   ? 131 GLU   A HB2  1 c 1 
ATOM   1726 H HB3  . GLU   A 1 119 ? -23.021 -5.656  0.684   1 35.52   ? 131 GLU   A HB3  1 c 1 
ATOM   1727 H HG2  . GLU   A 1 119 ? -24.457 -4.335  -0.644  1 37.303  ? 131 GLU   A HG2  1 c 1 
ATOM   1728 H HG3  . GLU   A 1 119 ? -23.46  -4.478  -1.875  1 37.388  ? 131 GLU   A HG3  1 c 1 
ATOM   1729 N N    . ILE   A 1 120 ? -22.814 -1.761  0.484   1 36.497  ? 132 ILE   A N    1 ? 1 
ATOM   1730 C CA   . ILE   A 1 120 ? -23.552 -0.677  1.107   1 34.593  ? 132 ILE   A CA   1 ? 1 
ATOM   1731 C C    . ILE   A 1 120 ? -24.684 -0.178  0.214   1 35.696  ? 132 ILE   A C    1 ? 1 
ATOM   1732 O O    . ILE   A 1 120 ? -24.463 0.08    -0.955  1 38.373  ? 132 ILE   A O    1 ? 1 
ATOM   1733 C CB   . ILE   A 1 120 ? -22.608 0.492   1.418   1 33.163  ? 132 ILE   A CB   1 ? 1 
ATOM   1734 C CG1  . ILE   A 1 120 ? -21.376 0.025   2.205   1 30.971  ? 132 ILE   A CG1  1 ? 1 
ATOM   1735 C CG2  . ILE   A 1 120 ? -23.42  1.597   2.099   1 34.06   ? 132 ILE   A CG2  1 ? 1 
ATOM   1736 C CD1  . ILE   A 1 120 ? -20.376 1.114   2.554   1 31.899  ? 132 ILE   A CD1  1 ? 1 
ATOM   1737 H H    . ILE   A 1 120 ? -22.455 -1.631  -0.346  1 36.194  ? 132 ILE   A H    1 c 1 
ATOM   1738 H HA   . ILE   A 1 120 ? -23.933 -0.998  1.947   1 34.966  ? 132 ILE   A HA   1 c 1 
ATOM   1739 H HB   . ILE   A 1 120 ? -22.29  0.846   0.563   1 33.249  ? 132 ILE   A HB   1 c 1 
ATOM   1740 H HG12 . ILE   A 1 120 ? -21.681 -0.394  3.035   1 31.669  ? 132 ILE   A HG12 1 c 1 
ATOM   1741 H HG13 . ILE   A 1 120 ? -20.914 -0.661  1.681   1 31.814  ? 132 ILE   A HG13 1 c 1 
ATOM   1742 H HG21 . ILE   A 1 120 ? -22.822 2.295   2.416   1 32.929  ? 132 ILE   A HG21 1 c 1 
ATOM   1743 H HG22 . ILE   A 1 120 ? -23.907 1.225   2.854   1 34.131  ? 132 ILE   A HG22 1 c 1 
ATOM   1744 H HG23 . ILE   A 1 120 ? -24.049 1.981   1.467   1 34.804  ? 132 ILE   A HG23 1 c 1 
ATOM   1745 H HD11 . ILE   A 1 120 ? -20.111 1.586   1.741   1 31.369  ? 132 ILE   A HD11 1 c 1 
ATOM   1746 H HD12 . ILE   A 1 120 ? -19.588 0.71    2.965   1 30.595  ? 132 ILE   A HD12 1 c 1 
ATOM   1747 H HD13 . ILE   A 1 120 ? -20.777 1.747   3.179   1 31.136  ? 132 ILE   A HD13 1 c 1 
ATOM   1748 N N    . GLU   A 1 121 ? -25.867 0.02    0.813   1 39.198  ? 133 GLU   A N    1 ? 1 
ATOM   1749 C CA   . GLU   A 1 121 ? -27.001 0.665   0.175   1 40.664  ? 133 GLU   A CA   1 ? 1 
ATOM   1750 C C    . GLU   A 1 121 ? -27.225 2.014   0.861   1 39.644  ? 133 GLU   A C    1 ? 1 
ATOM   1751 O O    . GLU   A 1 121 ? -27.463 2.054   2.067   1 37.756  ? 133 GLU   A O    1 ? 1 
ATOM   1752 C CB   . GLU   A 1 121 ? -28.281 -0.169  0.242   1 43.792  ? 133 GLU   A CB   1 ? 1 
ATOM   1753 C CG   . GLU   A 1 121 ? -29.48  0.459   -0.471  1 47.539  ? 133 GLU   A CG   1 ? 1 
ATOM   1754 C CD   . GLU   A 1 121 ? -30.78  -0.325  -0.473  1 51.027  ? 133 GLU   A CD   1 ? 1 
ATOM   1755 O OE1  . GLU   A 1 121 ? -30.838 -1.319  0.247   1 50.123  ? 133 GLU   A OE1  1 ? 1 
ATOM   1756 O OE2  . GLU   A 1 121 ? -31.746 0.042   -1.176  1 53.116  ? 133 GLU   A OE2  1 ? 1 
ATOM   1757 H H    . GLU   A 1 121 ? -25.969 -0.268  1.674   1 38.23   ? 133 GLU   A H    1 c 1 
ATOM   1758 H HA   . GLU   A 1 121 ? -26.778 0.822   -0.775  1 41.151  ? 133 GLU   A HA   1 c 1 
ATOM   1759 H HB2  . GLU   A 1 121 ? -28.105 -1.048  -0.153  1 44.477  ? 133 GLU   A HB2  1 c 1 
ATOM   1760 H HB3  . GLU   A 1 121 ? -28.515 -0.308  1.183   1 43.776  ? 133 GLU   A HB3  1 c 1 
ATOM   1761 H HG2  . GLU   A 1 121 ? -29.657 1.334   -0.068  1 46.976  ? 133 GLU   A HG2  1 c 1 
ATOM   1762 H HG3  . GLU   A 1 121 ? -29.229 0.626   -1.404  1 47.635  ? 133 GLU   A HG3  1 c 1 
ATOM   1763 N N    . LEU   A 1 122 ? -27.157 3.107   0.074   1 39.628  ? 134 LEU   A N    1 ? 1 
ATOM   1764 C CA   . LEU   A 1 122 ? -27.43  4.433   0.612   1 39.19   ? 134 LEU   A CA   1 ? 1 
ATOM   1765 C C    . LEU   A 1 122 ? -28.927 4.677   0.502   1 41.233  ? 134 LEU   A C    1 ? 1 
ATOM   1766 O O    . LEU   A 1 122 ? -29.462 4.852   -0.582  1 51.772  ? 134 LEU   A O    1 ? 1 
ATOM   1767 C CB   . LEU   A 1 122 ? -26.602 5.533   -0.061  1 40.089  ? 134 LEU   A CB   1 ? 1 
ATOM   1768 C CG   . LEU   A 1 122 ? -26.851 6.965   0.431   1 41.333  ? 134 LEU   A CG   1 ? 1 
ATOM   1769 C CD1  . LEU   A 1 122 ? -26.66  7.033   1.927   1 41.113  ? 134 LEU   A CD1  1 ? 1 
ATOM   1770 C CD2  . LEU   A 1 122 ? -25.926 7.98    -0.27   1 41.601  ? 134 LEU   A CD2  1 ? 1 
ATOM   1771 H H    . LEU   A 1 122 ? -26.937 3.022   -0.809  1 40.005  ? 134 LEU   A H    1 c 1 
ATOM   1772 H HA   . LEU   A 1 122 ? -27.196 4.416   1.573   1 38.58   ? 134 LEU   A HA   1 c 1 
ATOM   1773 H HB2  . LEU   A 1 122 ? -25.649 5.321   0.069   1 38.549  ? 134 LEU   A HB2  1 c 1 
ATOM   1774 H HB3  . LEU   A 1 122 ? -26.783 5.502   -1.029  1 40.955  ? 134 LEU   A HB3  1 c 1 
ATOM   1775 H HG   . LEU   A 1 122 ? -27.79  7.209   0.226   1 42.972  ? 134 LEU   A HG   1 c 1 
ATOM   1776 H HD11 . LEU   A 1 122 ? -27.396 6.58    2.371   1 41.555  ? 134 LEU   A HD11 1 c 1 
ATOM   1777 H HD12 . LEU   A 1 122 ? -26.639 7.963   2.208   1 40.983  ? 134 LEU   A HD12 1 c 1 
ATOM   1778 H HD13 . LEU   A 1 122 ? -25.822 6.603   2.168   1 39.508  ? 134 LEU   A HD13 1 c 1 
ATOM   1779 H HD21 . LEU   A 1 122 ? -26.104 7.976   -1.225  1 42.368  ? 134 LEU   A HD21 1 c 1 
ATOM   1780 H HD22 . LEU   A 1 122 ? -24.998 7.736   -0.114  1 40.072  ? 134 LEU   A HD22 1 c 1 
ATOM   1781 H HD23 . LEU   A 1 122 ? -26.09  8.869   0.085   1 41.683  ? 134 LEU   A HD23 1 c 1 
ATOM   1782 N N    . LEU   A 1 123 ? -29.603 4.701   1.647   1 44.434  ? 135 LEU   A N    1 ? 1 
ATOM   1783 C CA   . LEU   A 1 123 ? -31.056 4.812   1.684   1 49.956  ? 135 LEU   A CA   1 ? 1 
ATOM   1784 C C    . LEU   A 1 123 ? -31.477 6.273   1.596   1 51.33   ? 135 LEU   A C    1 ? 1 
ATOM   1785 O O    . LEU   A 1 123 ? -32.437 6.623   0.926   1 51.835  ? 135 LEU   A O    1 ? 1 
ATOM   1786 C CB   . LEU   A 1 123 ? -31.537 4.219   2.999   1 50.796  ? 135 LEU   A CB   1 ? 1 
ATOM   1787 C CG   . LEU   A 1 123 ? -31.127 2.769   3.232   1 51.842  ? 135 LEU   A CG   1 ? 1 
ATOM   1788 C CD1  . LEU   A 1 123 ? -31.635 2.279   4.551   1 55.233  ? 135 LEU   A CD1  1 ? 1 
ATOM   1789 C CD2  . LEU   A 1 123 ? -31.676 1.921   2.101   1 55.802  ? 135 LEU   A CD2  1 ? 1 
ATOM   1790 H H    . LEU   A 1 123 ? -29.146 4.655   2.437   1 43.272  ? 135 LEU   A H    1 c 1 
ATOM   1791 H HA   . LEU   A 1 123 ? -31.444 4.31    0.924   1 50.815  ? 135 LEU   A HA   1 c 1 
ATOM   1792 H HB2  . LEU   A 1 123 ? -31.184 4.769   3.735   1 50.096  ? 135 LEU   A HB2  1 c 1 
ATOM   1793 H HB3  . LEU   A 1 123 ? -32.521 4.273   3.021   1 53.152  ? 135 LEU   A HB3  1 c 1 
ATOM   1794 H HG   . LEU   A 1 123 ? -30.137 2.711   3.227   1 50.306  ? 135 LEU   A HG   1 c 1 
ATOM   1795 H HD11 . LEU   A 1 123 ? -31.44  2.939   5.238   1 53.749  ? 135 LEU   A HD11 1 c 1 
ATOM   1796 H HD12 . LEU   A 1 123 ? -31.2   1.44    4.776   1 53.778  ? 135 LEU   A HD12 1 c 1 
ATOM   1797 H HD13 . LEU   A 1 123 ? -32.596 2.142   4.499   1 56.573  ? 135 LEU   A HD13 1 c 1 
ATOM   1798 H HD21 . LEU   A 1 123 ? -31.17  2.092   1.29    1 54.373  ? 135 LEU   A HD21 1 c 1 
ATOM   1799 H HD22 . LEU   A 1 123 ? -32.61  2.142   1.952   1 57.107  ? 135 LEU   A HD22 1 c 1 
ATOM   1800 H HD23 . LEU   A 1 123 ? -31.6   0.98    2.334   1 55.257  ? 135 LEU   A HD23 1 c 1 
ATOM   1801 N N    . ASP   A 1 124 ? -30.776 7.114   2.351   1 54.056  ? 136 ASP   A N    1 ? 1 
ATOM   1802 C CA   . ASP   A 1 124 ? -31.111 8.521   2.396   1 51.477  ? 136 ASP   A CA   1 ? 1 
ATOM   1803 C C    . ASP   A 1 124 ? -29.982 9.284   3.075   1 47.679  ? 136 ASP   A C    1 ? 1 
ATOM   1804 O O    . ASP   A 1 124 ? -29.186 8.701   3.781   1 47.316  ? 136 ASP   A O    1 ? 1 
ATOM   1805 C CB   . ASP   A 1 124 ? -32.384 8.773   3.181   1 55.098  ? 136 ASP   A CB   1 ? 1 
ATOM   1806 C CG   . ASP   A 1 124 ? -33.152 10.024  2.778   1 57.505  ? 136 ASP   A CG   1 ? 1 
ATOM   1807 O OD1  . ASP   A 1 124 ? -32.697 10.742  1.861   1 55.4    ? 136 ASP   A OD1  1 ? 1 
ATOM   1808 O OD2  . ASP   A 1 124 ? -34.18  10.269  3.391   1 63.455  ? 136 ASP   A OD2  1 ? 1 
ATOM   1809 H H    . ASP   A 1 124 ? -30.08  6.806   2.856   1 50.502  ? 136 ASP   A H    1 c 1 
ATOM   1810 H HA   . ASP   A 1 124 ? -31.214 8.85    1.474   1 52.66   ? 136 ASP   A HA   1 c 1 
ATOM   1811 H HB2  . ASP   A 1 124 ? -32.986 8.007   3.079   1 55.914  ? 136 ASP   A HB2  1 c 1 
ATOM   1812 H HB3  . ASP   A 1 124 ? -32.162 8.849   4.133   1 54.217  ? 136 ASP   A HB3  1 c 1 
ATOM   1813 N N    . PHE   A 1 125 ? -29.984 10.614  2.891   1 46.678  ? 137 PHE   A N    1 ? 1 
ATOM   1814 C CA   . PHE   A 1 125 ? -29.157 11.51   3.676   1 43.78   ? 137 PHE   A CA   1 ? 1 
ATOM   1815 C C    . PHE   A 1 125 ? -29.818 12.874  3.788   1 46.293  ? 137 PHE   A C    1 ? 1 
ATOM   1816 O O    . PHE   A 1 125 ? -30.55  13.284  2.902   1 47.632  ? 137 PHE   A O    1 ? 1 
ATOM   1817 C CB   . PHE   A 1 125 ? -27.787 11.591  3.02    1 42.603  ? 137 PHE   A CB   1 ? 1 
ATOM   1818 C CG   . PHE   A 1 125 ? -27.711 12.095  1.595   1 45.634  ? 137 PHE   A CG   1 ? 1 
ATOM   1819 C CD1  . PHE   A 1 125 ? -27.566 13.449  1.328   1 43.044  ? 137 PHE   A CD1  1 ? 1 
ATOM   1820 C CD2  . PHE   A 1 125 ? -27.717 11.213  0.529   1 44.2    ? 137 PHE   A CD2  1 ? 1 
ATOM   1821 C CE1  . PHE   A 1 125 ? -27.42  13.893  0.029   1 45.42   ? 137 PHE   A CE1  1 ? 1 
ATOM   1822 C CE2  . PHE   A 1 125 ? -27.586 11.689  -0.774  1 49.328  ? 137 PHE   A CE2  1 ? 1 
ATOM   1823 C CZ   . PHE   A 1 125 ? -27.419 13.017  -1.015  1 46.598  ? 137 PHE   A CZ   1 ? 1 
ATOM   1824 H H    . PHE   A 1 125 ? -30.519 10.97   2.241   1 48.039  ? 137 PHE   A H    1 c 1 
ATOM   1825 H HA   . PHE   A 1 125 ? -29.055 11.128  4.585   1 43.882  ? 137 PHE   A HA   1 c 1 
ATOM   1826 H HB2  . PHE   A 1 125 ? -27.22  12.167  3.579   1 42.452  ? 137 PHE   A HB2  1 c 1 
ATOM   1827 H HB3  . PHE   A 1 125 ? -27.387 10.693  3.049   1 41.776  ? 137 PHE   A HB3  1 c 1 
ATOM   1828 H HD1  . PHE   A 1 125 ? -27.529 14.065  2.043   1 44.44   ? 137 PHE   A HD1  1 c 1 
ATOM   1829 H HD2  . PHE   A 1 125 ? -27.802 10.286  0.688   1 44.859  ? 137 PHE   A HD2  1 c 1 
ATOM   1830 H HE1  . PHE   A 1 125 ? -27.328 14.818  -0.139  1 46.268  ? 137 PHE   A HE1  1 c 1 
ATOM   1831 H HE2  . PHE   A 1 125 ? -27.597 11.08   -1.495  1 47.573  ? 137 PHE   A HE2  1 c 1 
ATOM   1832 H HZ   . PHE   A 1 125 ? -27.361 13.335  -1.902  1 48.005  ? 137 PHE   A HZ   1 c 1 
ATOM   1833 N N    . LYS   A 1 126 ? -29.569 13.543  4.912   1 46.903  ? 138 LYS   A N    1 ? 1 
ATOM   1834 C CA   . LYS   A 1 126 ? -30.347 14.697  5.32    1 52.475  ? 138 LYS   A CA   1 ? 1 
ATOM   1835 C C    . LYS   A 1 126 ? -29.32  15.669  5.882   1 51.959  ? 138 LYS   A C    1 ? 1 
ATOM   1836 O O    . LYS   A 1 126 ? -28.347 15.246  6.505   1 46.251  ? 138 LYS   A O    1 ? 1 
ATOM   1837 C CB   . LYS   A 1 126 ? -31.48  14.432  6.334   1 53.407  ? 138 LYS   A CB   1 ? 1 
ATOM   1838 H H    . LYS   A 1 126 ? -28.884 13.265  5.45    1 46.15   ? 138 LYS   A H    1 c 1 
ATOM   1839 H HA   . LYS   A 1 126 ? -30.748 15.103  4.51    1 52.727  ? 138 LYS   A HA   1 c 1 
ATOM   1840 H HB2  . LYS   A 1 126 ? -31.12  14.23   7.155   0 30      ? 138 LYS   A HB2  1 c 1 
ATOM   1841 H HB3  . LYS   A 1 126 ? -32.354 14.574  5.809   0 30      ? 138 LYS   A HB3  1 c 1 
ATOM   1842 N N    . GLY   A 1 127 ? -29.58  16.962  5.656   1 55.658  ? 139 GLY   A N    1 ? 1 
ATOM   1843 C CA   . GLY   A 1 127 ? -28.747 18.023  6.177   1 56.66   ? 139 GLY   A CA   1 ? 1 
ATOM   1844 C C    . GLY   A 1 127 ? -28.806 18.015  7.69    1 61.426  ? 139 GLY   A C    1 ? 1 
ATOM   1845 O O    . GLY   A 1 127 ? -29.835 17.666  8.267   1 68.759  ? 139 GLY   A O    1 ? 1 
ATOM   1846 H H    . GLY   A 1 127 ? -30.308 17.187  5.15    1 56.742  ? 139 GLY   A H    1 c 1 
ATOM   1847 H HA2  . GLY   A 1 127 ? -27.819 17.894  5.871   1 55.975  ? 139 GLY   A HA2  1 c 1 
ATOM   1848 H HA3  . GLY   A 1 127 ? -29.071 18.886  5.834   1 59.006  ? 139 GLY   A HA3  1 c 1 
ATOM   1849 N N    . GLU   A 1 128 ? -27.654 18.33   8.285   1 68.335  ? 140 GLU   A N    1 ? 1 
ATOM   1850 C CA   . GLU   A 1 128 ? -27.484 18.579  9.707   1 72.852  ? 140 GLU   A CA   1 ? 1 
ATOM   1851 C C    . GLU   A 1 128 ? -28.56  19.563  10.21   1 75.354  ? 140 GLU   A C    1 ? 1 
ATOM   1852 O O    . GLU   A 1 128 ? -29.135 20.303  9.369   1 74.332  ? 140 GLU   A O    1 ? 1 
ATOM   1853 C CB   . GLU   A 1 128 ? -26.055 19.094  9.951   1 73.728  ? 140 GLU   A CB   1 ? 1 
ATOM   1854 O OXT  . GLU   A 1 128 ? -28.785 19.563  11.439  1 80.123  ? 140 GLU   A OXT  1 ? 1 
ATOM   1855 H H    . GLU   A 1 128 ? -26.912 18.393  7.754   1 65.848  ? 140 GLU   A H    1 c 1 
ATOM   1856 H HA   . GLU   A 1 128 ? -27.596 17.719  10.187  1 71.503  ? 140 GLU   A HA   1 c 1 
ATOM   1857 H HB2  . GLU   A 1 128 ? -25.567 18.295  9.511   0 30      ? 140 GLU   A HB2  1 c 1 
ATOM   1858 H HB3  . GLU   A 1 128 ? -26.172 19.429  10.851  0 30      ? 140 GLU   A HB3  1 c 1 
ATOM   1859 N N    . GLY   B 1 1   ? 2.809   5.055   36.548  1 52.152  ? 13  GLY   B N    1 ? 2 
ATOM   1860 C CA   . GLY   B 1 1   ? 2.934   6.467   36.15   1 50.544  ? 13  GLY   B CA   1 ? 2 
ATOM   1861 C C    . GLY   B 1 1   ? 1.564   7.134   36.178  1 50.013  ? 13  GLY   B C    1 ? 2 
ATOM   1862 O O    . GLY   B 1 1   ? 0.634   6.628   36.796  1 45.867  ? 13  GLY   B O    1 ? 2 
ATOM   1863 H H1   . GLY   B 1 1   ? 3.599   4.63    36.429  1 53.689  ? 13  GLY   B H1   1 c 2 
ATOM   1864 H H2   . GLY   B 1 1   ? 2.177   4.643   36.048  1 50.607  ? 13  GLY   B H2   1 c 2 
ATOM   1865 H H3   . GLY   B 1 1   ? 2.575   5       37.421  1 52.288  ? 13  GLY   B H3   1 c 2 
ATOM   1866 H HA2  . GLY   B 1 1   ? 3.546   6.93    36.768  1 52.71   ? 13  GLY   B HA2  1 c 2 
ATOM   1867 H HA3  . GLY   B 1 1   ? 3.314   6.518   35.241  1 51.286  ? 13  GLY   B HA3  1 c 2 
ATOM   1868 N N    . ALA   B 1 2   ? 1.481   8.298   35.552  1 47.026  ? 14  ALA   B N    1 ? 2 
ATOM   1869 C CA   . ALA   B 1 2   ? 0.341   9.165   35.77   1 46.189  ? 14  ALA   B CA   1 ? 2 
ATOM   1870 C C    . ALA   B 1 2   ? -0.952  8.445   35.373  1 41.622  ? 14  ALA   B C    1 ? 2 
ATOM   1871 O O    . ALA   B 1 2   ? -1.957  8.561   36.067  1 40.961  ? 14  ALA   B O    1 ? 2 
ATOM   1872 C CB   . ALA   B 1 2   ? 0.556   10.461  35.018  1 45.808  ? 14  ALA   B CB   1 ? 2 
ATOM   1873 H H    . ALA   B 1 2   ? 2.143   8.561   34.979  1 48.493  ? 14  ALA   B H    1 c 2 
ATOM   1874 H HA   . ALA   B 1 2   ? 0.291   9.366   36.746  1 46.124  ? 14  ALA   B HA   1 c 2 
ATOM   1875 H HB1  . ALA   B 1 2   ? 1.334   10.921  35.376  1 47.387  ? 14  ALA   B HB1  1 c 2 
ATOM   1876 H HB2  . ALA   B 1 2   ? 0.7     10.276  34.076  1 45.57   ? 14  ALA   B HB2  1 c 2 
ATOM   1877 H HB3  . ALA   B 1 2   ? -0.226  11.03   35.117  1 44.649  ? 14  ALA   B HB3  1 c 2 
ATOM   1878 N N    . PRO   B 1 3   ? -1.045  7.74    34.223  1 39.754  ? 15  PRO   B N    1 ? 2 
ATOM   1879 C CA   . PRO   B 1 3   ? -2.321  7.105   33.847  1 41.334  ? 15  PRO   B CA   1 ? 2 
ATOM   1880 C C    . PRO   B 1 3   ? -2.839  6.044   34.827  1 40.486  ? 15  PRO   B C    1 ? 2 
ATOM   1881 O O    . PRO   B 1 3   ? -4.043  6.004   35.144  1 36.893  ? 15  PRO   B O    1 ? 2 
ATOM   1882 C CB   . PRO   B 1 3   ? -2.046  6.518   32.468  1 40.065  ? 15  PRO   B CB   1 ? 2 
ATOM   1883 C CG   . PRO   B 1 3   ? -0.863  7.309   31.956  1 43.772  ? 15  PRO   B CG   1 ? 2 
ATOM   1884 C CD   . PRO   B 1 3   ? -0.023  7.638   33.172  1 45.88   ? 15  PRO   B CD   1 ? 2 
ATOM   1885 H HA   . PRO   B 1 3   ? -3.002  7.803   33.754  1 39.042  ? 15  PRO   B HA   1 c 2 
ATOM   1886 H HB2  . PRO   B 1 3   ? -1.83   5.568   32.529  1 41.674  ? 15  PRO   B HB2  1 c 2 
ATOM   1887 H HB3  . PRO   B 1 3   ? -2.82   6.63    31.882  1 39.637  ? 15  PRO   B HB3  1 c 2 
ATOM   1888 H HG2  . PRO   B 1 3   ? -0.345  6.78    31.317  1 44.123  ? 15  PRO   B HG2  1 c 2 
ATOM   1889 H HG3  . PRO   B 1 3   ? -1.161  8.13    31.515  1 42.498  ? 15  PRO   B HG3  1 c 2 
ATOM   1890 H HD2  . PRO   B 1 3   ? 0.615   6.926   33.372  1 45.949  ? 15  PRO   B HD2  1 c 2 
ATOM   1891 H HD3  . PRO   B 1 3   ? 0.452   8.48    33.058  1 45.016  ? 15  PRO   B HD3  1 c 2 
ATOM   1892 N N    . ALA   B 1 4   ? -1.905  5.266   35.389  1 39.399  ? 16  ALA   B N    1 ? 2 
ATOM   1893 C CA   . ALA   B 1 4   ? -2.253  4.272   36.394  1 42.102  ? 16  ALA   B CA   1 ? 2 
ATOM   1894 C C    . ALA   B 1 4   ? -2.728  4.971   37.672  1 41.76   ? 16  ALA   B C    1 ? 2 
ATOM   1895 O O    . ALA   B 1 4   ? -3.675  4.52    38.296  1 40.863  ? 16  ALA   B O    1 ? 2 
ATOM   1896 C CB   . ALA   B 1 4   ? -1.087  3.308   36.632  1 43.798  ? 16  ALA   B CB   1 ? 2 
ATOM   1897 H H    . ALA   B 1 4   ? -1.031  5.352   35.136  1 41.546  ? 16  ALA   B H    1 c 2 
ATOM   1898 H HA   . ALA   B 1 4   ? -3.022  3.745   36.039  1 40.633  ? 16  ALA   B HA   1 c 2 
ATOM   1899 H HB1  . ALA   B 1 4   ? -0.868  2.849   35.803  1 44.096  ? 16  ALA   B HB1  1 c 2 
ATOM   1900 H HB2  . ALA   B 1 4   ? -0.31   3.805   36.938  1 45.113  ? 16  ALA   B HB2  1 c 2 
ATOM   1901 H HB3  . ALA   B 1 4   ? -1.336  2.654   37.305  1 44.881  ? 16  ALA   B HB3  1 c 2 
ATOM   1902 N N    . THR   B 1 5   ? -2.108  6.099   38.04   1 39.74   ? 17  THR   B N    1 ? 2 
ATOM   1903 C CA   . THR   B 1 5   ? -2.521  6.841   39.209  1 40.498  ? 17  THR   B CA   1 ? 2 
ATOM   1904 C C    . THR   B 1 5   ? -3.966  7.333   39.028  1 39.277  ? 17  THR   B C    1 ? 2 
ATOM   1905 O O    . THR   B 1 5   ? -4.728  7.374   39.982  1 38.856  ? 17  THR   B O    1 ? 2 
ATOM   1906 C CB   . THR   B 1 5   ? -1.528  7.988   39.459  1 43.794  ? 17  THR   B CB   1 ? 2 
ATOM   1907 O OG1  . THR   B 1 5   ? -0.285  7.362   39.789  1 49      ? 17  THR   B OG1  1 ? 2 
ATOM   1908 C CG2  . THR   B 1 5   ? -1.95   8.935   40.572  1 46.406  ? 17  THR   B CG2  1 ? 2 
ATOM   1909 H H    . THR   B 1 5   ? -1.402  6.407   37.549  1 40.803  ? 17  THR   B H    1 c 2 
ATOM   1910 H HA   . THR   B 1 5   ? -2.493  6.235   39.981  1 42.226  ? 17  THR   B HA   1 c 2 
ATOM   1911 H HB   . THR   B 1 5   ? -1.416  8.51    38.629  1 43.356  ? 17  THR   B HB   1 c 2 
ATOM   1912 H HG1  . THR   B 1 5   ? -0.385  6.892   40.488  0 30      ? 17  THR   B HG1  1 c 2 
ATOM   1913 H HG21 . THR   B 1 5   ? -1.226  9.554   40.763  1 46.872  ? 17  THR   B HG21 1 c 2 
ATOM   1914 H HG22 . THR   B 1 5   ? -2.157  8.423   41.373  1 46.675  ? 17  THR   B HG22 1 c 2 
ATOM   1915 H HG23 . THR   B 1 5   ? -2.737  9.434   40.296  1 44.248  ? 17  THR   B HG23 1 c 2 
ATOM   1916 N N    . VAL   B 1 6   ? -4.348  7.72    37.803  1 36.789  ? 18  VAL   B N    1 ? 2 
ATOM   1917 C CA   . VAL   B 1 6   ? -5.69   8.21    37.55   1 35.703  ? 18  VAL   B CA   1 ? 2 
ATOM   1918 C C    . VAL   B 1 6   ? -6.665  7.042   37.624  1 34.14   ? 18  VAL   B C    1 ? 2 
ATOM   1919 O O    . VAL   B 1 6   ? -7.738  7.179   38.203  1 34.655  ? 18  VAL   B O    1 ? 2 
ATOM   1920 C CB   . VAL   B 1 6   ? -5.88   8.93    36.211  1 32.331  ? 18  VAL   B CB   1 ? 2 
ATOM   1921 C CG1  . VAL   B 1 6   ? -7.347  9.324   36.047  1 35.105  ? 18  VAL   B CG1  1 ? 2 
ATOM   1922 C CG2  . VAL   B 1 6   ? -5.032  10.182  36.065  1 35.197  ? 18  VAL   B CG2  1 ? 2 
ATOM   1923 H H    . VAL   B 1 6   ? -3.753  7.683   37.11   1 37.104  ? 18  VAL   B H    1 c 2 
ATOM   1924 H HA   . VAL   B 1 6   ? -5.918  8.838   38.261  1 35.325  ? 18  VAL   B HA   1 c 2 
ATOM   1925 H HB   . VAL   B 1 6   ? -5.639  8.298   35.493  1 33.656  ? 18  VAL   B HB   1 c 2 
ATOM   1926 H HG11 . VAL   B 1 6   ? -7.67   9.724   36.873  1 34.184  ? 18  VAL   B HG11 1 c 2 
ATOM   1927 H HG12 . VAL   B 1 6   ? -7.875  8.536   35.84   1 33.374  ? 18  VAL   B HG12 1 c 2 
ATOM   1928 H HG13 . VAL   B 1 6   ? -7.432  9.967   35.323  1 33.149  ? 18  VAL   B HG13 1 c 2 
ATOM   1929 H HG21 . VAL   B 1 6   ? -5.158  10.559  35.178  1 33.751  ? 18  VAL   B HG21 1 c 2 
ATOM   1930 H HG22 . VAL   B 1 6   ? -4.096  9.957   36.19   1 35.586  ? 18  VAL   B HG22 1 c 2 
ATOM   1931 H HG23 . VAL   B 1 6   ? -5.3    10.835  36.734  1 34.744  ? 18  VAL   B HG23 1 c 2 
ATOM   1932 N N    . THR   B 1 7   ? -6.31   5.9     37.043  1 34.904  ? 19  THR   B N    1 ? 2 
ATOM   1933 C CA   . THR   B 1 7   ? -7.123  4.697   37.21   1 39.675  ? 19  THR   B CA   1 ? 2 
ATOM   1934 C C    . THR   B 1 7   ? -7.413  4.428   38.691  1 37.631  ? 19  THR   B C    1 ? 2 
ATOM   1935 O O    . THR   B 1 7   ? -8.538  4.116   39.08   1 38.694  ? 19  THR   B O    1 ? 2 
ATOM   1936 C CB   . THR   B 1 7   ? -6.455  3.469   36.581  1 38.491  ? 19  THR   B CB   1 ? 2 
ATOM   1937 O OG1  . THR   B 1 7   ? -6.24   3.782   35.211  1 37.436  ? 19  THR   B OG1  1 ? 2 
ATOM   1938 C CG2  . THR   B 1 7   ? -7.315  2.217   36.693  1 37.619  ? 19  THR   B CG2  1 ? 2 
ATOM   1939 H H    . THR   B 1 7   ? -5.557  5.862   36.526  1 35.981  ? 19  THR   B H    1 c 2 
ATOM   1940 H HA   . THR   B 1 7   ? -7.979  4.846   36.752  1 36.585  ? 19  THR   B HA   1 c 2 
ATOM   1941 H HB   . THR   B 1 7   ? -5.586  3.304   37.018  1 39.899  ? 19  THR   B HB   1 c 2 
ATOM   1942 H HG1  . THR   B 1 7   ? -6.951  3.983   34.818  0 30      ? 19  THR   B HG1  1 c 2 
ATOM   1943 H HG21 . THR   B 1 7   ? -6.971  1.533   36.094  1 38.434  ? 19  THR   B HG21 1 c 2 
ATOM   1944 H HG22 . THR   B 1 7   ? -8.231  2.43    36.45   1 37.032  ? 19  THR   B HG22 1 c 2 
ATOM   1945 H HG23 . THR   B 1 7   ? -7.291  1.886   37.607  1 39.238  ? 19  THR   B HG23 1 c 2 
ATOM   1946 N N    . GLU   B 1 8   ? -6.402  4.547   39.538  1 41.313  ? 20  GLU   B N    1 ? 2 
ATOM   1947 C CA   . GLU   B 1 8   ? -6.523  4.125   40.928  1 43.735  ? 20  GLU   B CA   1 ? 2 
ATOM   1948 C C    . GLU   B 1 8   ? -7.256  5.157   41.782  1 43.937  ? 20  GLU   B C    1 ? 2 
ATOM   1949 O O    . GLU   B 1 8   ? -7.937  4.785   42.736  1 40.281  ? 20  GLU   B O    1 ? 2 
ATOM   1950 C CB   . GLU   B 1 8   ? -5.189  4.046   41.68   1 53.426  ? 20  GLU   B CB   1 ? 2 
ATOM   1951 C CG   . GLU   B 1 8   ? -4.721  2.634   41.982  1 66.893  ? 20  GLU   B CG   1 ? 2 
ATOM   1952 C CD   . GLU   B 1 8   ? -4.047  2.058   40.769  1 71.546  ? 20  GLU   B CD   1 ? 2 
ATOM   1953 O OE1  . GLU   B 1 8   ? -2.796  1.84    40.776  1 75.693  ? 20  GLU   B OE1  1 ? 2 
ATOM   1954 O OE2  . GLU   B 1 8   ? -4.825  1.896   39.817  1 66.093  ? 20  GLU   B OE2  1 ? 2 
ATOM   1955 H H    . GLU   B 1 8   ? -5.609  4.896   39.249  1 41.06   ? 20  GLU   B H    1 c 2 
ATOM   1956 H HA   . GLU   B 1 8   ? -7.001  3.258   40.968  1 45.418  ? 20  GLU   B HA   1 c 2 
ATOM   1957 H HB2  . GLU   B 1 8   ? -4.501  4.507   41.155  1 53.312  ? 20  GLU   B HB2  1 c 2 
ATOM   1958 H HB3  . GLU   B 1 8   ? -5.275  4.519   42.533  1 54.411  ? 20  GLU   B HB3  1 c 2 
ATOM   1959 H HG2  . GLU   B 1 8   ? -4.086  2.647   42.729  1 66.886  ? 20  GLU   B HG2  1 c 2 
ATOM   1960 H HG3  . GLU   B 1 8   ? -5.488  2.073   42.225  1 65.115  ? 20  GLU   B HG3  1 c 2 
ATOM   1961 N N    . GLN   B 1 9   ? -7.023  6.443   41.511  1 40.827  ? 21  GLN   B N    1 ? 2 
ATOM   1962 C CA   . GLN   B 1 9   ? -7.363  7.478   42.469  1 41.647  ? 21  GLN   B CA   1 ? 2 
ATOM   1963 C C    . GLN   B 1 9   ? -8.268  8.554   41.87   1 39.107  ? 21  GLN   B C    1 ? 2 
ATOM   1964 O O    . GLN   B 1 9   ? -8.728  9.442   42.607  1 38.626  ? 21  GLN   B O    1 ? 2 
ATOM   1965 C CB   . GLN   B 1 9   ? -6.122  8.197   42.986  1 43.165  ? 21  GLN   B CB   1 ? 2 
ATOM   1966 C CG   . GLN   B 1 9   ? -5.037  7.248   43.462  1 46.665  ? 21  GLN   B CG   1 ? 2 
ATOM   1967 C CD   . GLN   B 1 9   ? -3.835  7.995   43.953  1 47.508  ? 21  GLN   B CD   1 ? 2 
ATOM   1968 O OE1  . GLN   B 1 9   ? -3.757  9.232   43.915  1 48.461  ? 21  GLN   B OE1  1 ? 2 
ATOM   1969 N NE2  . GLN   B 1 9   ? -2.886  7.21    44.402  1 51.591  ? 21  GLN   B NE2  1 ? 2 
ATOM   1970 H H    . GLN   B 1 9   ? -6.618  6.678   40.726  1 40.483  ? 21  GLN   B H    1 c 2 
ATOM   1971 H HA   . GLN   B 1 9   ? -7.833  7.062   43.236  1 42.551  ? 21  GLN   B HA   1 c 2 
ATOM   1972 H HB2  . GLN   B 1 9   ? -5.761  8.761   42.27   1 42.521  ? 21  GLN   B HB2  1 c 2 
ATOM   1973 H HB3  . GLN   B 1 9   ? -6.381  8.784   43.727  1 44.258  ? 21  GLN   B HB3  1 c 2 
ATOM   1974 H HG2  . GLN   B 1 9   ? -5.387  6.683   44.184  1 47.297  ? 21  GLN   B HG2  1 c 2 
ATOM   1975 H HG3  . GLN   B 1 9   ? -4.766  6.663   42.723  1 45.593  ? 21  GLN   B HG3  1 c 2 
ATOM   1976 H HE21 . GLN   B 1 9   ? -2.126  7.562   44.697  1 52.326  ? 21  GLN   B HE21 1 c 2 
ATOM   1977 H HE22 . GLN   B 1 9   ? -3      6.33    44.413  1 51.335  ? 21  GLN   B HE22 1 c 2 
ATOM   1978 N N    . GLY   B 1 10  ? -8.542  8.465   40.565  1 38.203  ? 22  GLY   B N    1 ? 2 
ATOM   1979 C CA   . GLY   B 1 10  ? -9.232  9.55    39.889  1 35.087  ? 22  GLY   B CA   1 ? 2 
ATOM   1980 C C    . GLY   B 1 10  ? -10.728 9.528   40.202  1 32.744  ? 22  GLY   B C    1 ? 2 
ATOM   1981 O O    . GLY   B 1 10  ? -11.282 8.466   40.472  1 28.808  ? 22  GLY   B O    1 ? 2 
ATOM   1982 H H    . GLY   B 1 10  ? -8.314  7.719   40.09   1 37.347  ? 22  GLY   B H    1 c 2 
ATOM   1983 H HA2  . GLY   B 1 10  ? -8.844  10.41   40.175  1 35.402  ? 22  GLY   B HA2  1 c 2 
ATOM   1984 H HA3  . GLY   B 1 10  ? -9.097  9.463   38.916  1 33.934  ? 22  GLY   B HA3  1 c 2 
ATOM   1985 N N    . GLU   B 1 11  ? -11.347 10.722  40.175  1 28.366  ? 23  GLU   B N    1 ? 2 
ATOM   1986 C CA   . GLU   B 1 11  ? -12.792 10.847  40.336  1 30.792  ? 23  GLU   B CA   1 ? 2 
ATOM   1987 C C    . GLU   B 1 11  ? -13.511 10.595  39.007  1 29.602  ? 23  GLU   B C    1 ? 2 
ATOM   1988 O O    . GLU   B 1 11  ? -13.073 11.044  37.957  1 26.958  ? 23  GLU   B O    1 ? 2 
ATOM   1989 C CB   . GLU   B 1 11  ? -12.998 12.269  40.885  1 37.419  ? 23  GLU   B CB   1 ? 2 
ATOM   1990 C CG   . GLU   B 1 11  ? -14.443 12.744  40.86   1 43.103  ? 23  GLU   B CG   1 ? 2 
ATOM   1991 C CD   . GLU   B 1 11  ? -14.528 14.182  41.354  1 52.791  ? 23  GLU   B CD   1 ? 2 
ATOM   1992 O OE1  . GLU   B 1 11  ? -13.489 14.738  41.785  1 63.044  ? 23  GLU   B OE1  1 ? 2 
ATOM   1993 O OE2  . GLU   B 1 11  ? -15.625 14.722  41.282  1 52.887  ? 23  GLU   B OE2  1 ? 2 
ATOM   1994 H H    . GLU   B 1 11  ? -10.85  11.479  40.047  1 29.963  ? 23  GLU   B H    1 c 2 
ATOM   1995 H HA   . GLU   B 1 11  ? -13.097 10.185  41.006  1 32.162  ? 23  GLU   B HA   1 c 2 
ATOM   1996 H HB2  . GLU   B 1 11  ? -12.668 12.299  41.808  1 38.45   ? 23  GLU   B HB2  1 c 2 
ATOM   1997 H HB3  . GLU   B 1 11  ? -12.459 12.892  40.355  1 36.632  ? 23  GLU   B HB3  1 c 2 
ATOM   1998 H HG2  . GLU   B 1 11  ? -14.794 12.699  39.945  1 42.312  ? 23  GLU   B HG2  1 c 2 
ATOM   1999 H HG3  . GLU   B 1 11  ? -14.992 12.171  41.437  1 44.217  ? 23  GLU   B HG3  1 c 2 
ATOM   2000 N N    . ASP   B 1 12  ? -14.601 9.835   39.049  1 30.699  ? 24  ASP   B N    1 ? 2 
ATOM   2001 C CA   . ASP   B 1 12  ? -15.442 9.583   37.894  1 29.908  ? 24  ASP   B CA   1 ? 2 
ATOM   2002 C C    . ASP   B 1 12  ? -16.375 10.776  37.688  1 32.423  ? 24  ASP   B C    1 ? 2 
ATOM   2003 O O    . ASP   B 1 12  ? -17.33  10.994  38.467  1 32.491  ? 24  ASP   B O    1 ? 2 
ATOM   2004 C CB   . ASP   B 1 12  ? -16.254 8.318   38.085  1 30.917  ? 24  ASP   B CB   1 ? 2 
ATOM   2005 C CG   . ASP   B 1 12  ? -17.12  7.961   36.877  1 33.02   ? 24  ASP   B CG   1 ? 2 
ATOM   2006 O OD1  . ASP   B 1 12  ? -17.166 8.771   35.892  1 30.129  ? 24  ASP   B OD1  1 ? 2 
ATOM   2007 O OD2  . ASP   B 1 12  ? -17.761 6.896   36.907  1 30.933  ? 24  ASP   B OD2  1 ? 2 
ATOM   2008 H H    . ASP   B 1 12  ? -14.837 9.452   39.845  1 31.529  ? 24  ASP   B H    1 c 2 
ATOM   2009 H HA   . ASP   B 1 12  ? -14.87  9.478   37.102  1 29.508  ? 24  ASP   B HA   1 c 2 
ATOM   2010 H HB2  . ASP   B 1 12  ? -15.644 7.571   38.259  1 31.646  ? 24  ASP   B HB2  1 c 2 
ATOM   2011 H HB3  . ASP   B 1 12  ? -16.837 8.422   38.866  1 32.484  ? 24  ASP   B HB3  1 c 2 
ATOM   2012 N N    . ILE   B 1 13  ? -16.088 11.58   36.652  1 33.074  ? 25  ILE   B N    1 ? 2 
ATOM   2013 C CA   . ILE   B 1 13  ? -16.862 12.803  36.429  1 30.203  ? 25  ILE   B CA   1 ? 2 
ATOM   2014 C C    . ILE   B 1 13  ? -17.949 12.603  35.344  1 32.673  ? 25  ILE   B C    1 ? 2 
ATOM   2015 O O    . ILE   B 1 13  ? -18.562 13.584  34.903  1 34.149  ? 25  ILE   B O    1 ? 2 
ATOM   2016 C CB   . ILE   B 1 13  ? -15.96  14.012  36.156  1 33.932  ? 25  ILE   B CB   1 ? 2 
ATOM   2017 C CG1  . ILE   B 1 13  ? -15.067 13.766  34.913  1 32.321  ? 25  ILE   B CG1  1 ? 2 
ATOM   2018 C CG2  . ILE   B 1 13  ? -15.113 14.368  37.392  1 34.392  ? 25  ILE   B CG2  1 ? 2 
ATOM   2019 C CD1  . ILE   B 1 13  ? -14.376 15.01   34.381  1 33.875  ? 25  ILE   B CD1  1 ? 2 
ATOM   2020 H H    . ILE   B 1 13  ? -15.415 11.362  36.074  1 31.224  ? 25  ILE   B H    1 c 2 
ATOM   2021 H HA   . ILE   B 1 13  ? -17.332 12.996  37.263  1 32.969  ? 25  ILE   B HA   1 c 2 
ATOM   2022 H HB   . ILE   B 1 13  ? -16.538 14.776  35.959  1 33.428  ? 25  ILE   B HB   1 c 2 
ATOM   2023 H HG12 . ILE   B 1 13  ? -14.383 13.106  35.146  1 32.499  ? 25  ILE   B HG12 1 c 2 
ATOM   2024 H HG13 . ILE   B 1 13  ? -15.618 13.386  34.199  1 32.319  ? 25  ILE   B HG13 1 c 2 
ATOM   2025 H HG21 . ILE   B 1 13  ? -14.599 15.174  37.215  1 34.668  ? 25  ILE   B HG21 1 c 2 
ATOM   2026 H HG22 . ILE   B 1 13  ? -14.505 13.637  37.593  1 34.295  ? 25  ILE   B HG22 1 c 2 
ATOM   2027 H HG23 . ILE   B 1 13  ? -15.697 14.52   38.154  1 35.456  ? 25  ILE   B HG23 1 c 2 
ATOM   2028 H HD11 . ILE   B 1 13  ? -15.044 15.688  34.165  1 33.859  ? 25  ILE   B HD11 1 c 2 
ATOM   2029 H HD12 . ILE   B 1 13  ? -13.873 14.784  33.576  1 32.892  ? 25  ILE   B HD12 1 c 2 
ATOM   2030 H HD13 . ILE   B 1 13  ? -13.764 15.362  35.056  1 33.952  ? 25  ILE   B HD13 1 c 2 
ATOM   2031 N N    . THR   B 1 14  ? -18.269 11.373  34.975  1 30.381  ? 26  THR   B N    1 ? 2 
ATOM   2032 C CA   . THR   B 1 14  ? -19.307 11.096  33.972  1 31.098  ? 26  THR   B CA   1 ? 2 
ATOM   2033 C C    . THR   B 1 14  ? -20.679 11.153  34.627  1 36.495  ? 26  THR   B C    1 ? 2 
ATOM   2034 O O    . THR   B 1 14  ? -20.799 10.785  35.8    1 36.666  ? 26  THR   B O    1 ? 2 
ATOM   2035 C CB   . THR   B 1 14  ? -19.162 9.738   33.278  1 29.132  ? 26  THR   B CB   1 ? 2 
ATOM   2036 O OG1  . THR   B 1 14  ? -19.273 8.692   34.244  1 26.465  ? 26  THR   B OG1  1 ? 2 
ATOM   2037 C CG2  . THR   B 1 14  ? -17.861 9.66    32.517  1 31.402  ? 26  THR   B CG2  1 ? 2 
ATOM   2038 H H    . THR   B 1 14  ? -17.833 10.665  35.353  1 30.926  ? 26  THR   B H    1 c 2 
ATOM   2039 H HA   . THR   B 1 14  ? -19.259 11.795  33.286  1 31.231  ? 26  THR   B HA   1 c 2 
ATOM   2040 H HB   . THR   B 1 14  ? -19.896 9.641   32.625  1 29.599  ? 26  THR   B HB   1 c 2 
ATOM   2041 H HG1  . THR   B 1 14  ? -18.659 8.814   34.843  0 30      ? 26  THR   B HG1  1 c 2 
ATOM   2042 H HG21 . THR   B 1 14  ? -17.783 8.789   32.094  1 30.204  ? 26  THR   B HG21 1 c 2 
ATOM   2043 H HG22 . THR   B 1 14  ? -17.119 9.79    33.131  1 30.209  ? 26  THR   B HG22 1 c 2 
ATOM   2044 H HG23 . THR   B 1 14  ? -17.842 10.353  31.836  1 30.116  ? 26  THR   B HG23 1 c 2 
ATOM   2045 N N    . SER   B 1 15  ? -21.717 11.539  33.844  1 31.57   ? 27  SER   B N    1 ? 2 
ATOM   2046 C CA   . SER   B 1 15  ? -23.085 11.51   34.339  1 38.114  ? 27  SER   B CA   1 ? 2 
ATOM   2047 C C    . SER   B 1 15  ? -23.542 10.079  34.601  1 36.304  ? 27  SER   B C    1 ? 2 
ATOM   2048 O O    . SER   B 1 15  ? -24.249 9.799   35.529  1 36.985  ? 27  SER   B O    1 ? 2 
ATOM   2049 C CB   . SER   B 1 15  ? -24.024 12.188  33.359  1 42.398  ? 27  SER   B CB   1 ? 2 
ATOM   2050 O OG   . SER   B 1 15  ? -23.753 13.582  33.432  1 42.299  ? 27  SER   B OG   1 ? 2 
ATOM   2051 H H    . SER   B 1 15  ? -21.56  11.823  32.989  1 33.403  ? 27  SER   B H    1 c 2 
ATOM   2052 H HA   . SER   B 1 15  ? -23.114 12.007  35.196  1 37.952  ? 27  SER   B HA   1 c 2 
ATOM   2053 H HB2  . SER   B 1 15  ? -23.86  11.859  32.455  1 40.817  ? 27  SER   B HB2  1 c 2 
ATOM   2054 H HB3  . SER   B 1 15  ? -24.952 12.011  33.606  1 42.794  ? 27  SER   B HB3  1 c 2 
ATOM   2055 H HG   . SER   B 1 15  ? -24.248 14.012  32.892  0 30      ? 27  SER   B HG   1 c 2 
ATOM   2056 N N    . LYS   B 1 16  ? -23.17  9.175   33.711  1 38.737  ? 28  LYS   B N    1 ? 2 
ATOM   2057 C CA   . LYS   B 1 16  ? -23.569 7.778   33.802  1 39.644  ? 28  LYS   B CA   1 ? 2 
ATOM   2058 C C    . LYS   B 1 16  ? -22.769 7.022   34.859  1 38.021  ? 28  LYS   B C    1 ? 2 
ATOM   2059 O O    . LYS   B 1 16  ? -23.101 5.885   35.117  1 40.077  ? 28  LYS   B O    1 ? 2 
ATOM   2060 C CB   . LYS   B 1 16  ? -23.338 7.066   32.465  1 40.866  ? 28  LYS   B CB   1 ? 2 
ATOM   2061 C CG   . LYS   B 1 16  ? -24.484 7.331   31.528  1 50.286  ? 28  LYS   B CG   1 ? 2 
ATOM   2062 C CD   . LYS   B 1 16  ? -24.284 6.849   30.105  1 59.878  ? 28  LYS   B CD   1 ? 2 
ATOM   2063 C CE   . LYS   B 1 16  ? -24.995 7.807   29.213  1 70.261  ? 28  LYS   B CE   1 ? 2 
ATOM   2064 N NZ   . LYS   B 1 16  ? -25.057 7.303   27.841  1 82.332  ? 28  LYS   B NZ   1 ? 2 
ATOM   2065 H H    . LYS   B 1 16  ? -22.647 9.434   33.007  1 36.994  ? 28  LYS   B H    1 c 2 
ATOM   2066 H HA   . LYS   B 1 16  ? -24.531 7.736   34.034  1 41.029  ? 28  LYS   B HA   1 c 2 
ATOM   2067 H HB2  . LYS   B 1 16  ? -22.506 7.386   32.055  1 41.014  ? 28  LYS   B HB2  1 c 2 
ATOM   2068 H HB3  . LYS   B 1 16  ? -23.259 6.098   32.608  1 42.426  ? 28  LYS   B HB3  1 c 2 
ATOM   2069 H HG2  . LYS   B 1 16  ? -25.287 6.9     31.895  1 51.51   ? 28  LYS   B HG2  1 c 2 
ATOM   2070 H HG3  . LYS   B 1 16  ? -24.651 8.299   31.515  1 50.404  ? 28  LYS   B HG3  1 c 2 
ATOM   2071 H HD2  . LYS   B 1 16  ? -23.327 6.836   29.882  1 57.965  ? 28  LYS   B HD2  1 c 2 
ATOM   2072 H HD3  . LYS   B 1 16  ? -24.661 5.949   29.995  1 60.241  ? 28  LYS   B HD3  1 c 2 
ATOM   2073 H HE2  . LYS   B 1 16  ? -25.904 7.945   29.538  1 71.334  ? 28  LYS   B HE2  1 c 2 
ATOM   2074 H HE3  . LYS   B 1 16  ? -24.536 8.666   29.216  1 69.42   ? 28  LYS   B HE3  1 c 2 
ATOM   2075 H HZ1  . LYS   B 1 16  ? -25.44  6.482   27.829  1 78.948  ? 28  LYS   B HZ1  1 c 2 
ATOM   2076 H HZ2  . LYS   B 1 16  ? -24.219 7.246   27.499  1 77.349  ? 28  LYS   B HZ2  1 c 2 
ATOM   2077 H HZ3  . LYS   B 1 16  ? -25.549 7.868   27.331  1 79.065  ? 28  LYS   B HZ3  1 c 2 
ATOM   2078 N N    . LYS   B 1 17  ? -21.673 7.588   35.391  1 37.918  ? 29  LYS   B N    1 ? 2 
ATOM   2079 C CA   . LYS   B 1 17  ? -20.854 6.855   36.355  1 35.754  ? 29  LYS   B CA   1 ? 2 
ATOM   2080 C C    . LYS   B 1 17  ? -20.362 5.529   35.747  1 34.196  ? 29  LYS   B C    1 ? 2 
ATOM   2081 O O    . LYS   B 1 17  ? -20.398 4.474   36.38   1 34.277  ? 29  LYS   B O    1 ? 2 
ATOM   2082 C CB   . LYS   B 1 17  ? -21.605 6.646   37.681  1 36.356  ? 29  LYS   B CB   1 ? 2 
ATOM   2083 C CG   . LYS   B 1 17  ? -21.898 7.979   38.414  1 44.781  ? 29  LYS   B CG   1 ? 2 
ATOM   2084 C CD   . LYS   B 1 17  ? -20.639 8.687   38.923  1 45.532  ? 29  LYS   B CD   1 ? 2 
ATOM   2085 C CE   . LYS   B 1 17  ? -20.769 10.014  39.67   1 57.188  ? 29  LYS   B CE   1 ? 2 
ATOM   2086 N NZ   . LYS   B 1 17  ? -20.39  11.124  38.766  1 60.07   ? 29  LYS   B NZ   1 ? 2 
ATOM   2087 H H    . LYS   B 1 17  ? -21.424 8.432   35.148  1 36.559  ? 29  LYS   B H    1 c 2 
ATOM   2088 H HA   . LYS   B 1 17  ? -20.059 7.408   36.547  1 35.086  ? 29  LYS   B HA   1 c 2 
ATOM   2089 H HB2  . LYS   B 1 17  ? -22.454 6.185   37.51   1 39.18   ? 29  LYS   B HB2  1 c 2 
ATOM   2090 H HB3  . LYS   B 1 17  ? -21.066 6.076   38.27   1 38.602  ? 29  LYS   B HB3  1 c 2 
ATOM   2091 H HG2  . LYS   B 1 17  ? -22.376 8.577   37.799  1 42.864  ? 29  LYS   B HG2  1 c 2 
ATOM   2092 H HG3  . LYS   B 1 17  ? -22.49  7.793   39.175  1 44.675  ? 29  LYS   B HG3  1 c 2 
ATOM   2093 H HD2  . LYS   B 1 17  ? -20.167 8.055   39.508  1 47.804  ? 29  LYS   B HD2  1 c 2 
ATOM   2094 H HD3  . LYS   B 1 17  ? -20.05  8.831   38.152  1 46.074  ? 29  LYS   B HD3  1 c 2 
ATOM   2095 H HE2  . LYS   B 1 17  ? -21.687 10.141  39.97   1 56.618  ? 29  LYS   B HE2  1 c 2 
ATOM   2096 H HE3  . LYS   B 1 17  ? -20.183 10.017  40.448  1 55.839  ? 29  LYS   B HE3  1 c 2 
ATOM   2097 H HZ1  . LYS   B 1 17  ? -20.858 11.064  37.992  1 58.124  ? 29  LYS   B HZ1  1 c 2 
ATOM   2098 H HZ2  . LYS   B 1 17  ? -19.504 11.082  38.582  1 57.677  ? 29  LYS   B HZ2  1 c 2 
ATOM   2099 H HZ3  . LYS   B 1 17  ? -20.573 11.918  39.162  1 59.357  ? 29  LYS   B HZ3  1 c 2 
ATOM   2100 N N    . ASP   B 1 18  ? -19.8   5.61    34.546  1 34.461  ? 30  ASP   B N    1 ? 2 
ATOM   2101 C CA   . ASP   B 1 18  ? -19.297 4.432   33.853  1 34.391  ? 30  ASP   B CA   1 ? 2 
ATOM   2102 C C    . ASP   B 1 18  ? -17.766 4.438   33.836  1 34.307  ? 30  ASP   B C    1 ? 2 
ATOM   2103 O O    . ASP   B 1 18  ? -17.155 3.715   33.055  1 30.079  ? 30  ASP   B O    1 ? 2 
ATOM   2104 C CB   . ASP   B 1 18  ? -19.886 4.351   32.439  1 33.399  ? 30  ASP   B CB   1 ? 2 
ATOM   2105 C CG   . ASP   B 1 18  ? -19.603 5.573   31.57   1 34.354  ? 30  ASP   B CG   1 ? 2 
ATOM   2106 O OD1  . ASP   B 1 18  ? -18.696 6.364   31.93   1 29.198  ? 30  ASP   B OD1  1 ? 2 
ATOM   2107 O OD2  . ASP   B 1 18  ? -20.337 5.8     30.591  1 31.957  ? 30  ASP   B OD2  1 ? 2 
ATOM   2108 H H    . ASP   B 1 18  ? -19.714 6.427   34.145  1 33.428  ? 30  ASP   B H    1 c 2 
ATOM   2109 H HA   . ASP   B 1 18  ? -19.598 3.631   34.339  1 35.403  ? 30  ASP   B HA   1 c 2 
ATOM   2110 H HB2  . ASP   B 1 18  ? -19.527 3.56    31.985  1 34.103  ? 30  ASP   B HB2  1 c 2 
ATOM   2111 H HB3  . ASP   B 1 18  ? -20.857 4.244   32.508  1 34.933  ? 30  ASP   B HB3  1 c 2 
ATOM   2112 N N    . ARG   B 1 19  ? -17.147 5.28    34.664  1 28.643  ? 31  ARG   B N    1 ? 2 
ATOM   2113 C CA   . ARG   B 1 19  ? -15.701 5.489   34.699  1 29.015  ? 31  ARG   B CA   1 ? 2 
ATOM   2114 C C    . ARG   B 1 19  ? -15.079 5.839   33.345  1 31.474  ? 31  ARG   B C    1 ? 2 
ATOM   2115 O O    . ARG   B 1 19  ? -13.873 5.681   33.168  1 31.906  ? 31  ARG   B O    1 ? 2 
ATOM   2116 C CB   . ARG   B 1 19  ? -14.936 4.349   35.382  1 30.122  ? 31  ARG   B CB   1 ? 2 
ATOM   2117 C CG   . ARG   B 1 19  ? -15.246 4.308   36.874  1 32.699  ? 31  ARG   B CG   1 ? 2 
ATOM   2118 C CD   . ARG   B 1 19  ? -14.727 3.039   37.605  1 35.76   ? 31  ARG   B CD   1 ? 2 
ATOM   2119 N NE   . ARG   B 1 19  ? -13.298 2.863   37.345  1 38.005  ? 31  ARG   B NE   1 ? 2 
ATOM   2120 C CZ   . ARG   B 1 19  ? -12.341 3.493   37.999  1 40.706  ? 31  ARG   B CZ   1 ? 2 
ATOM   2121 N NH1  . ARG   B 1 19  ? -12.603 4.278   39.007  1 36.707  ? 31  ARG   B NH1  1 ? 2 
ATOM   2122 N NH2  . ARG   B 1 19  ? -11.074 3.303   37.679  1 40.233  ? 31  ARG   B NH2  1 ? 2 
ATOM   2123 H H    . ARG   B 1 19  ? -17.656 5.752   35.257  1 30.522  ? 31  ARG   B H    1 c 2 
ATOM   2124 H HA   . ARG   B 1 19  ? -15.549 6.276   35.281  1 29.463  ? 31  ARG   B HA   1 c 2 
ATOM   2125 H HB2  . ARG   B 1 19  ? -15.19  3.494   34.974  1 30.735  ? 31  ARG   B HB2  1 c 2 
ATOM   2126 H HB3  . ARG   B 1 19  ? -13.972 4.475   35.257  1 30.145  ? 31  ARG   B HB3  1 c 2 
ATOM   2127 H HG2  . ARG   B 1 19  ? -14.853 5.1     37.3    1 32.562  ? 31  ARG   B HG2  1 c 2 
ATOM   2128 H HG3  . ARG   B 1 19  ? -16.218 4.365   36.997  1 33.062  ? 31  ARG   B HG3  1 c 2 
ATOM   2129 H HD2  . ARG   B 1 19  ? -14.877 3.125   38.569  1 36.992  ? 31  ARG   B HD2  1 c 2 
ATOM   2130 H HD3  . ARG   B 1 19  ? -15.215 2.253   37.287  1 36.436  ? 31  ARG   B HD3  1 c 2 
ATOM   2131 H HE   . ARG   B 1 19  ? -13.065 2.306   36.718  1 37.904  ? 31  ARG   B HE   1 c 2 
ATOM   2132 H HH11 . ARG   B 1 19  ? -13.227 4.903   38.933  1 37.438  ? 31  ARG   B HH11 1 c 2 
ATOM   2133 H HH12 . ARG   B 1 19  ? -12.15  4.185   39.762  1 39.057  ? 31  ARG   B HH12 1 c 2 
ATOM   2134 H HH21 . ARG   B 1 19  ? -10.854 2.675   37.098  1 40.385  ? 31  ARG   B HH21 1 c 2 
ATOM   2135 H HH22 . ARG   B 1 19  ? -10.448 3.806   38.049  1 40.548  ? 31  ARG   B HH22 1 c 2 
ATOM   2136 N N    . GLY   B 1 20  ? -15.867 6.476   32.464  1 31.519  ? 32  GLY   B N    1 ? 2 
ATOM   2137 C CA   . GLY   B 1 20  ? -15.406 6.785   31.136  1 30.758  ? 32  GLY   B CA   1 ? 2 
ATOM   2138 C C    . GLY   B 1 20  ? -14.41  7.946   31.083  1 30.879  ? 32  GLY   B C    1 ? 2 
ATOM   2139 O O    . GLY   B 1 20  ? -13.631 8.024   30.131  1 28.069  ? 32  GLY   B O    1 ? 2 
ATOM   2140 H H    . GLY   B 1 20  ? -16.708 6.735   32.71   1 31.592  ? 32  GLY   B H    1 c 2 
ATOM   2141 H HA2  . GLY   B 1 20  ? -14.985 5.984   30.753  1 31.091  ? 32  GLY   B HA2  1 c 2 
ATOM   2142 H HA3  . GLY   B 1 20  ? -16.185 7.005   30.579  1 30.907  ? 32  GLY   B HA3  1 c 2 
ATOM   2143 N N    . VAL   B 1 21  ? -14.512 8.858   32.044  1 27.879  ? 33  VAL   B N    1 ? 2 
ATOM   2144 C CA   . VAL   B 1 21  ? -13.641 10.001  32.21   1 27.231  ? 33  VAL   B CA   1 ? 2 
ATOM   2145 C C    . VAL   B 1 21  ? -13.293 10.074  33.696  1 31.286  ? 33  VAL   B C    1 ? 2 
ATOM   2146 O O    . VAL   B 1 21  ? -14.177 10.354  34.521  1 26.138  ? 33  VAL   B O    1 ? 2 
ATOM   2147 C CB   . VAL   B 1 21  ? -14.303 11.321  31.755  1 27.787  ? 33  VAL   B CB   1 ? 2 
ATOM   2148 C CG1  . VAL   B 1 21  ? -13.313 12.468  31.826  1 28.835  ? 33  VAL   B CG1  1 ? 2 
ATOM   2149 C CG2  . VAL   B 1 21  ? -14.951 11.251  30.381  1 30.328  ? 33  VAL   B CG2  1 ? 2 
ATOM   2150 H H    . VAL   B 1 21  ? -15.187 8.756   32.651  1 28.85   ? 33  VAL   B H    1 c 2 
ATOM   2151 H HA   . VAL   B 1 21  ? -12.824 9.858   31.694  1 27.918  ? 33  VAL   B HA   1 c 2 
ATOM   2152 H HB   . VAL   B 1 21  ? -15.022 11.518  32.4    1 28.659  ? 33  VAL   B HB   1 c 2 
ATOM   2153 H HG11 . VAL   B 1 21  ? -12.509 12.235  31.333  1 28.457  ? 33  VAL   B HG11 1 c 2 
ATOM   2154 H HG12 . VAL   B 1 21  ? -13.084 12.645  32.754  1 28.935  ? 33  VAL   B HG12 1 c 2 
ATOM   2155 H HG13 . VAL   B 1 21  ? -13.711 13.265  31.436  1 28.787  ? 33  VAL   B HG13 1 c 2 
ATOM   2156 H HG21 . VAL   B 1 21  ? -15.307 12.124  30.145  1 29.729  ? 33  VAL   B HG21 1 c 2 
ATOM   2157 H HG22 . VAL   B 1 21  ? -15.674 10.601  30.395  1 29.572  ? 33  VAL   B HG22 1 c 2 
ATOM   2158 H HG23 . VAL   B 1 21  ? -14.288 10.984  29.722  1 29.314  ? 33  VAL   B HG23 1 c 2 
ATOM   2159 N N    . LEU   B 1 22  ? -12.006 9.827   34.02   1 28.695  ? 34  LEU   B N    1 ? 2 
ATOM   2160 C CA   . LEU   B 1 22  ? -11.465 9.954   35.369  1 29.215  ? 34  LEU   B CA   1 ? 2 
ATOM   2161 C C    . LEU   B 1 22  ? -10.519 11.151  35.466  1 30.13   ? 34  LEU   B C    1 ? 2 
ATOM   2162 O O    . LEU   B 1 22  ? -9.76   11.398  34.537  1 28.877  ? 34  LEU   B O    1 ? 2 
ATOM   2163 C CB   . LEU   B 1 22  ? -10.73  8.644   35.633  1 28.42   ? 34  LEU   B CB   1 ? 2 
ATOM   2164 C CG   . LEU   B 1 22  ? -11.577 7.37    35.597  1 28.15   ? 34  LEU   B CG   1 ? 2 
ATOM   2165 C CD1  . LEU   B 1 22  ? -10.741 6.136   35.729  1 29.265  ? 34  LEU   B CD1  1 ? 2 
ATOM   2166 C CD2  . LEU   B 1 22  ? -12.656 7.401   36.703  1 29.842  ? 34  LEU   B CD2  1 ? 2 
ATOM   2167 H H    . LEU   B 1 22  ? -11.437 9.564   33.355  1 29.014  ? 34  LEU   B H    1 c 2 
ATOM   2168 H HA   . LEU   B 1 22  ? -12.208 10.059  36.011  1 29.439  ? 34  LEU   B HA   1 c 2 
ATOM   2169 H HB2  . LEU   B 1 22  ? -10.014 8.556   34.963  1 28.482  ? 34  LEU   B HB2  1 c 2 
ATOM   2170 H HB3  . LEU   B 1 22  ? -10.301 8.706   36.517  1 29.458  ? 34  LEU   B HB3  1 c 2 
ATOM   2171 H HG   . LEU   B 1 22  ? -12.04  7.331   34.721  1 27.783  ? 34  LEU   B HG   1 c 2 
ATOM   2172 H HD11 . LEU   B 1 22  ? -10.108 6.093   34.992  1 28.897  ? 34  LEU   B HD11 1 c 2 
ATOM   2173 H HD12 . LEU   B 1 22  ? -11.314 5.351   35.708  1 29.409  ? 34  LEU   B HD12 1 c 2 
ATOM   2174 H HD13 . LEU   B 1 22  ? -10.256 6.16    36.57   1 30.015  ? 34  LEU   B HD13 1 c 2 
ATOM   2175 H HD21 . LEU   B 1 22  ? -13.319 8.078   36.49   1 29.153  ? 34  LEU   B HD21 1 c 2 
ATOM   2176 H HD22 . LEU   B 1 22  ? -12.241 7.61    37.557  1 30.31   ? 34  LEU   B HD22 1 c 2 
ATOM   2177 H HD23 . LEU   B 1 22  ? -13.089 6.532   36.758  1 29.919  ? 34  LEU   B HD23 1 c 2 
ATOM   2178 N N    . LYS   B 1 23  ? -10.576 11.88   36.613  1 31.392  ? 35  LYS   B N    1 ? 2 
ATOM   2179 C CA   . LYS   B 1 23  ? -9.947  13.177  36.792  1 31.33   ? 35  LYS   B CA   1 ? 2 
ATOM   2180 C C    . LYS   B 1 23  ? -9.18   13.201  38.118  1 33.763  ? 35  LYS   B C    1 ? 2 
ATOM   2181 O O    . LYS   B 1 23  ? -9.734  12.773  39.129  1 31.77   ? 35  LYS   B O    1 ? 2 
ATOM   2182 C CB   . LYS   B 1 23  ? -10.949 14.336  36.827  1 29.562  ? 35  LYS   B CB   1 ? 2 
ATOM   2183 C CG   . LYS   B 1 23  ? -10.268 15.737  36.947  1 30.241  ? 35  LYS   B CG   1 ? 2 
ATOM   2184 C CD   . LYS   B 1 23  ? -11.289 16.886  37      1 30.846  ? 35  LYS   B CD   1 ? 2 
ATOM   2185 C CE   . LYS   B 1 23  ? -10.675 18.249  37.198  1 32.605  ? 35  LYS   B CE   1 ? 2 
ATOM   2186 N NZ   . LYS   B 1 23  ? -11.605 19.349  37.454  1 32.404  ? 35  LYS   B NZ   1 ? 2 
ATOM   2187 H H    . LYS   B 1 23  ? -11.04  11.531  37.319  1 31.555  ? 35  LYS   B H    1 c 2 
ATOM   2188 H HA   . LYS   B 1 23  ? -9.312  13.324  36.05   1 31.027  ? 35  LYS   B HA   1 c 2 
ATOM   2189 H HB2  . LYS   B 1 23  ? -11.489 14.318  36.008  1 29.152  ? 35  LYS   B HB2  1 c 2 
ATOM   2190 H HB3  . LYS   B 1 23  ? -11.554 14.214  37.59   1 30.376  ? 35  LYS   B HB3  1 c 2 
ATOM   2191 H HG2  . LYS   B 1 23  ? -9.72   15.757  37.762  1 31.259  ? 35  LYS   B HG2  1 c 2 
ATOM   2192 H HG3  . LYS   B 1 23  ? -9.674  15.868  36.176  1 30.056  ? 35  LYS   B HG3  1 c 2 
ATOM   2193 H HD2  . LYS   B 1 23  ? -11.803 16.888  36.163  1 30.186  ? 35  LYS   B HD2  1 c 2 
ATOM   2194 H HD3  . LYS   B 1 23  ? -11.919 16.713  37.733  1 31.296  ? 35  LYS   B HD3  1 c 2 
ATOM   2195 H HE2  . LYS   B 1 23  ? -10.051 18.197  37.943  1 33.059  ? 35  LYS   B HE2  1 c 2 
ATOM   2196 H HE3  . LYS   B 1 23  ? -10.156 18.469  36.404  1 31.985  ? 35  LYS   B HE3  1 c 2 
ATOM   2197 H HZ1  . LYS   B 1 23  ? -12.065 19.19   38.218  1 33.224  ? 35  LYS   B HZ1  1 c 2 
ATOM   2198 H HZ2  . LYS   B 1 23  ? -12.189 19.422  36.765  1 32.226  ? 35  LYS   B HZ2  1 c 2 
ATOM   2199 H HZ3  . LYS   B 1 23  ? -11.147 20.125  37.538  1 33.743  ? 35  LYS   B HZ3  1 c 2 
ATOM   2200 N N    . ILE   B 1 24  ? -7.91   13.668  38.077  1 33.748  ? 36  ILE   B N    1 ? 2 
ATOM   2201 C CA   . ILE   B 1 24  ? -7.221  14.198  39.258  1 32.021  ? 36  ILE   B CA   1 ? 2 
ATOM   2202 C C    . ILE   B 1 24  ? -6.878  15.67   39.069  1 35.301  ? 36  ILE   B C    1 ? 2 
ATOM   2203 O O    . ILE   B 1 24  ? -6.237  16.074  38.089  1 36.825  ? 36  ILE   B O    1 ? 2 
ATOM   2204 C CB   . ILE   B 1 24  ? -5.975  13.373  39.622  1 34.019  ? 36  ILE   B CB   1 ? 2 
ATOM   2205 C CG1  . ILE   B 1 24  ? -6.319  11.921  39.919  1 33.661  ? 36  ILE   B CG1  1 ? 2 
ATOM   2206 C CG2  . ILE   B 1 24  ? -5.216  13.965  40.833  1 40.108  ? 36  ILE   B CG2  1 ? 2 
ATOM   2207 C CD1  . ILE   B 1 24  ? -5.078  11.031  40.094  1 36.633  ? 36  ILE   B CD1  1 ? 2 
ATOM   2208 H H    . ILE   B 1 24  ? -7.459  13.652  37.282  1 32.661  ? 36  ILE   B H    1 c 2 
ATOM   2209 H HA   . ILE   B 1 24  ? -7.839  14.134  40.011  1 33.854  ? 36  ILE   B HA   1 c 2 
ATOM   2210 H HB   . ILE   B 1 24  ? -5.372  13.386  38.852  1 34.179  ? 36  ILE   B HB   1 c 2 
ATOM   2211 H HG12 . ILE   B 1 24  ? -6.854  11.884  40.738  1 34.645  ? 36  ILE   B HG12 1 c 2 
ATOM   2212 H HG13 . ILE   B 1 24  ? -6.862  11.566  39.186  1 32.785  ? 36  ILE   B HG13 1 c 2 
ATOM   2213 H HG21 . ILE   B 1 24  ? -4.403  13.457  40.992  1 39.796  ? 36  ILE   B HG21 1 c 2 
ATOM   2214 H HG22 . ILE   B 1 24  ? -5.781  13.924  41.623  1 39.46   ? 36  ILE   B HG22 1 c 2 
ATOM   2215 H HG23 . ILE   B 1 24  ? -4.982  14.89   40.653  1 39.357  ? 36  ILE   B HG23 1 c 2 
ATOM   2216 H HD11 . ILE   B 1 24  ? -4.456  11.19   39.359  1 35.908  ? 36  ILE   B HD11 1 c 2 
ATOM   2217 H HD12 . ILE   B 1 24  ? -5.35   10.094  40.09   1 35.918  ? 36  ILE   B HD12 1 c 2 
ATOM   2218 H HD13 . ILE   B 1 24  ? -4.638  11.234  40.941  1 37.647  ? 36  ILE   B HD13 1 c 2 
ATOM   2219 N N    . VAL   B 1 25  ? -7.146  16.473  40.12   1 36.595  ? 37  VAL   B N    1 ? 2 
ATOM   2220 C CA   . VAL   B 1 25  ? -6.708  17.849  40.123  1 40.908  ? 37  VAL   B CA   1 ? 2 
ATOM   2221 C C    . VAL   B 1 25  ? -5.236  17.817  40.52   1 43.897  ? 37  VAL   B C    1 ? 2 
ATOM   2222 O O    . VAL   B 1 25  ? -4.9    17.304  41.58   1 41.593  ? 37  VAL   B O    1 ? 2 
ATOM   2223 C CB   . VAL   B 1 25  ? -7.53   18.769  41.062  1 45.218  ? 37  VAL   B CB   1 ? 2 
ATOM   2224 C CG1  . VAL   B 1 25  ? -7.006  20.182  41.046  1 46.14   ? 37  VAL   B CG1  1 ? 2 
ATOM   2225 C CG2  . VAL   B 1 25  ? -9.002  18.755  40.655  1 44.548  ? 37  VAL   B CG2  1 ? 2 
ATOM   2226 H H    . VAL   B 1 25  ? -7.608  16.15   40.84   1 37.601  ? 37  VAL   B H    1 c 2 
ATOM   2227 H HA   . VAL   B 1 25  ? -6.779  18.198  39.214  1 40.23   ? 37  VAL   B HA   1 c 2 
ATOM   2228 H HB   . VAL   B 1 25  ? -7.45   18.411  41.977  1 45.554  ? 37  VAL   B HB   1 c 2 
ATOM   2229 H HG11 . VAL   B 1 25  ? -6.924  20.487  40.127  1 45.664  ? 37  VAL   B HG11 1 c 2 
ATOM   2230 H HG12 . VAL   B 1 25  ? -6.135  20.213  41.477  1 47.582  ? 37  VAL   B HG12 1 c 2 
ATOM   2231 H HG13 . VAL   B 1 25  ? -7.622  20.761  41.525  1 47.164  ? 37  VAL   B HG13 1 c 2 
ATOM   2232 H HG21 . VAL   B 1 25  ? -9.516  19.295  41.28   1 45.378  ? 37  VAL   B HG21 1 c 2 
ATOM   2233 H HG22 . VAL   B 1 25  ? -9.336  17.843  40.667  1 43.494  ? 37  VAL   B HG22 1 c 2 
ATOM   2234 H HG23 . VAL   B 1 25  ? -9.095  19.123  39.761  1 43.56   ? 37  VAL   B HG23 1 c 2 
ATOM   2235 N N    . LYS   B 1 26  ? -4.371  18.353  39.666  1 41.723  ? 38  LYS   B N    1 ? 2 
ATOM   2236 C CA   . LYS   B 1 26  ? -2.951  18.336  39.995  1 43.779  ? 38  LYS   B CA   1 ? 2 
ATOM   2237 C C    . LYS   B 1 26  ? -2.5    19.682  40.525  1 49.439  ? 38  LYS   B C    1 ? 2 
ATOM   2238 O O    . LYS   B 1 26  ? -1.529  19.701  41.257  1 49.396  ? 38  LYS   B O    1 ? 2 
ATOM   2239 C CB   . LYS   B 1 26  ? -2.051  17.916  38.847  1 44.957  ? 38  LYS   B CB   1 ? 2 
ATOM   2240 C CG   . LYS   B 1 26  ? -2.363  16.516  38.31   1 48.753  ? 38  LYS   B CG   1 ? 2 
ATOM   2241 C CD   . LYS   B 1 26  ? -2.336  15.39   39.349  1 53.796  ? 38  LYS   B CD   1 ? 2 
ATOM   2242 C CE   . LYS   B 1 26  ? -0.997  14.958  39.789  1 58.877  ? 38  LYS   B CE   1 ? 2 
ATOM   2243 N NZ   . LYS   B 1 26  ? -1.173  13.908  40.788  1 61.666  ? 38  LYS   B NZ   1 ? 2 
ATOM   2244 H H    . LYS   B 1 26  ? -4.652  18.725  38.88   1 41.552  ? 38  LYS   B H    1 c 2 
ATOM   2245 H HA   . LYS   B 1 26  ? -2.815  17.678  40.721  1 45.237  ? 38  LYS   B HA   1 c 2 
ATOM   2246 H HB2  . LYS   B 1 26  ? -2.146  18.562  38.114  1 45.486  ? 38  LYS   B HB2  1 c 2 
ATOM   2247 H HB3  . LYS   B 1 26  ? -1.118  17.937  39.148  1 47.362  ? 38  LYS   B HB3  1 c 2 
ATOM   2248 H HG2  . LYS   B 1 26  ? -3.252  16.538  37.893  1 46.832  ? 38  LYS   B HG2  1 c 2 
ATOM   2249 H HG3  . LYS   B 1 26  ? -1.714  16.307  37.603  1 48.345  ? 38  LYS   B HG3  1 c 2 
ATOM   2250 H HD2  . LYS   B 1 26  ? -2.85   15.672  40.135  1 53.501  ? 38  LYS   B HD2  1 c 2 
ATOM   2251 H HD3  . LYS   B 1 26  ? -2.804  14.615  38.968  1 52.013  ? 38  LYS   B HD3  1 c 2 
ATOM   2252 H HE2  . LYS   B 1 26  ? -0.486  14.611  39.036  1 58.48   ? 38  LYS   B HE2  1 c 2 
ATOM   2253 H HE3  . LYS   B 1 26  ? -0.513  15.706  40.184  1 60.192  ? 38  LYS   B HE3  1 c 2 
ATOM   2254 H HZ1  . LYS   B 1 26  ? -1.598  13.197  40.418  1 59.642  ? 38  LYS   B HZ1  1 c 2 
ATOM   2255 H HZ2  . LYS   B 1 26  ? -1.663  14.218  41.485  1 61.189  ? 38  LYS   B HZ2  1 c 2 
ATOM   2256 H HZ3  . LYS   B 1 26  ? -0.363  13.641  41.093  1 62.43   ? 38  LYS   B HZ3  1 c 2 
ATOM   2257 N N    . ARG   B 1 27  ? -3.084  20.798  40.076  1 47.338  ? 39  ARG   B N    1 ? 2 
ATOM   2258 C CA   . ARG   B 1 27  ? -2.781  22.071  40.72   1 49.358  ? 39  ARG   B CA   1 ? 2 
ATOM   2259 C C    . ARG   B 1 27  ? -4.065  22.886  40.814  1 55.453  ? 39  ARG   B C    1 ? 2 
ATOM   2260 O O    . ARG   B 1 27  ? -4.824  23.004  39.826  1 59.103  ? 39  ARG   B O    1 ? 2 
ATOM   2261 C CB   . ARG   B 1 27  ? -1.737  22.881  39.947  1 53.469  ? 39  ARG   B CB   1 ? 2 
ATOM   2262 C CG   . ARG   B 1 27  ? -1.434  24.191  40.685  1 57.261  ? 39  ARG   B CG   1 ? 2 
ATOM   2263 C CD   . ARG   B 1 27  ? -1.656  25.356  39.723  1 59.398  ? 39  ARG   B CD   1 ? 2 
ATOM   2264 N NE   . ARG   B 1 27  ? -0.522  25.39   38.789  1 63.177  ? 39  ARG   B NE   1 ? 2 
ATOM   2265 C CZ   . ARG   B 1 27  ? -0.464  25.968  37.589  1 58.769  ? 39  ARG   B CZ   1 ? 2 
ATOM   2266 N NH1  . ARG   B 1 27  ? -1.528  26.462  36.986  1 54.517  ? 39  ARG   B NH1  1 ? 2 
ATOM   2267 N NH2  . ARG   B 1 27  ? 0.707   26.019  36.975  1 59.991  ? 39  ARG   B NH2  1 ? 2 
ATOM   2268 H H    . ARG   B 1 27  ? -3.66   20.774  39.367  1 46.267  ? 39  ARG   B H    1 c 2 
ATOM   2269 H HA   . ARG   B 1 27  ? -2.446  21.895  41.636  1 52.36   ? 39  ARG   B HA   1 c 2 
ATOM   2270 H HB2  . ARG   B 1 27  ? -0.912  22.358  39.86   1 53.4    ? 39  ARG   B HB2  1 c 2 
ATOM   2271 H HB3  . ARG   B 1 27  ? -2.073  23.078  39.046  1 51.979  ? 39  ARG   B HB3  1 c 2 
ATOM   2272 H HG2  . ARG   B 1 27  ? -2.021  24.291  41.463  1 57.766  ? 39  ARG   B HG2  1 c 2 
ATOM   2273 H HG3  . ARG   B 1 27  ? -0.501  24.191  40.991  1 59.151  ? 39  ARG   B HG3  1 c 2 
ATOM   2274 H HD2  . ARG   B 1 27  ? -2.491  25.24   39.226  1 57.889  ? 39  ARG   B HD2  1 c 2 
ATOM   2275 H HD3  . ARG   B 1 27  ? -1.7    26.2    40.218  1 61.517  ? 39  ARG   B HD3  1 c 2 
ATOM   2276 H HE   . ARG   B 1 27  ? 0.205   24.983  39.043  1 61.958  ? 39  ARG   B HE   1 c 2 
ATOM   2277 H HH11 . ARG   B 1 27  ? -2.12   26.929  37.447  1 55.859  ? 39  ARG   B HH11 1 c 2 
ATOM   2278 H HH12 . ARG   B 1 27  ? -1.644  26.321  36.121  1 54.531  ? 39  ARG   B HH12 1 c 2 
ATOM   2279 H HH21 . ARG   B 1 27  ? 1.455   26.02   37.449  1 61.686  ? 39  ARG   B HH21 1 c 2 
ATOM   2280 H HH22 . ARG   B 1 27  ? 0.739   26.054  36.092  1 59.606  ? 39  ARG   B HH22 1 c 2 
ATOM   2281 N N    . VAL   B 1 28  ? -4.333  23.447  41.998  1 56.107  ? 40  VAL   B N    1 ? 2 
ATOM   2282 C CA   . VAL   B 1 28  ? -5.631  24.073  42.188  1 58.229  ? 40  VAL   B CA   1 ? 2 
ATOM   2283 C C    . VAL   B 1 28  ? -5.646  25.443  41.503  1 59.533  ? 40  VAL   B C    1 ? 2 
ATOM   2284 O O    . VAL   B 1 28  ? -4.645  26.181  41.526  1 57.88   ? 40  VAL   B O    1 ? 2 
ATOM   2285 C CB   . VAL   B 1 28  ? -6.11   24.115  43.646  1 62.345  ? 40  VAL   B CB   1 ? 2 
ATOM   2286 C CG1  . VAL   B 1 28  ? -7.385  24.944  43.771  1 67.397  ? 40  VAL   B CG1  1 ? 2 
ATOM   2287 C CG2  . VAL   B 1 28  ? -6.356  22.701  44.174  1 58.361  ? 40  VAL   B CG2  1 ? 2 
ATOM   2288 H H    . VAL   B 1 28  ? -3.725  23.436  42.681  1 58.321  ? 40  VAL   B H    1 c 2 
ATOM   2289 H HA   . VAL   B 1 28  ? -6.275  23.516  41.709  1 56.311  ? 40  VAL   B HA   1 c 2 
ATOM   2290 H HB   . VAL   B 1 28  ? -5.4    24.538  44.184  1 64.175  ? 40  VAL   B HB   1 c 2 
ATOM   2291 H HG11 . VAL   B 1 28  ? -7.999  24.709  43.055  1 64.074  ? 40  VAL   B HG11 1 c 2 
ATOM   2292 H HG12 . VAL   B 1 28  ? -7.166  25.888  43.714  1 67.405  ? 40  VAL   B HG12 1 c 2 
ATOM   2293 H HG13 . VAL   B 1 28  ? -7.806  24.763  44.628  1 66.666  ? 40  VAL   B HG13 1 c 2 
ATOM   2294 H HG21 . VAL   B 1 28  ? -6.632  22.745  45.105  1 60.505  ? 40  VAL   B HG21 1 c 2 
ATOM   2295 H HG22 . VAL   B 1 28  ? -5.538  22.18   44.104  1 59.032  ? 40  VAL   B HG22 1 c 2 
ATOM   2296 H HG23 . VAL   B 1 28  ? -7.056  22.275  43.65   1 57.29   ? 40  VAL   B HG23 1 c 2 
ATOM   2297 N N    . GLY   B 1 29  ? -6.805  25.735  40.882  1 56.713  ? 41  GLY   B N    1 ? 2 
ATOM   2298 C CA   . GLY   B 1 29  ? -7.098  26.99   40.208  1 57.687  ? 41  GLY   B CA   1 ? 2 
ATOM   2299 C C    . GLY   B 1 29  ? -7.717  28.024  41.149  1 63.396  ? 41  GLY   B C    1 ? 2 
ATOM   2300 O O    . GLY   B 1 29  ? -7.883  27.795  42.348  1 59.275  ? 41  GLY   B O    1 ? 2 
ATOM   2301 H H    . GLY   B 1 29  ? -7.458  25.095  40.879  1 55.678  ? 41  GLY   B H    1 c 2 
ATOM   2302 H HA2  . GLY   B 1 29  ? -6.264  27.352  39.827  1 59.273  ? 41  GLY   B HA2  1 c 2 
ATOM   2303 H HA3  . GLY   B 1 29  ? -7.719  26.814  39.463  1 56.95   ? 41  GLY   B HA3  1 c 2 
ATOM   2304 N N    . ASN   B 1 30  ? -8.104  29.167  40.564  1 69.536  ? 42  ASN   B N    1 ? 2 
ATOM   2305 C CA   . ASN   B 1 30  ? -8.549  30.338  41.311  1 70.174  ? 42  ASN   B CA   1 ? 2 
ATOM   2306 C C    . ASN   B 1 30  ? -10.042 30.548  41.055  1 68.231  ? 42  ASN   B C    1 ? 2 
ATOM   2307 O O    . ASN   B 1 30  ? -10.499 30.245  39.976  1 63.195  ? 42  ASN   B O    1 ? 2 
ATOM   2308 C CB   . ASN   B 1 30  ? -7.76   31.587  40.91   1 70.4    ? 42  ASN   B CB   1 ? 2 
ATOM   2309 C CG   . ASN   B 1 30  ? -6.308  31.286  40.629  1 75.336  ? 42  ASN   B CG   1 ? 2 
ATOM   2310 O OD1  . ASN   B 1 30  ? -5.955  30.89   39.509  1 81.689  ? 42  ASN   B OD1  1 ? 2 
ATOM   2311 N ND2  . ASN   B 1 30  ? -5.452  31.462  41.625  1 81.563  ? 42  ASN   B ND2  1 ? 2 
ATOM   2312 H H    . ASN   B 1 30  ? -8.091  29.216  39.651  1 66.929  ? 42  ASN   B H    1 c 2 
ATOM   2313 H HA   . ASN   B 1 30  ? -8.402  30.181  42.271  1 70.719  ? 42  ASN   B HA   1 c 2 
ATOM   2314 H HB2  . ASN   B 1 30  ? -8.165  31.979  40.111  1 71.919  ? 42  ASN   B HB2  1 c 2 
ATOM   2315 H HB3  . ASN   B 1 30  ? -7.816  32.246  41.631  1 74.453  ? 42  ASN   B HB3  1 c 2 
ATOM   2316 H HD21 . ASN   B 1 30  ? -4.595  31.612  41.449  1 81.163  ? 42  ASN   B HD21 1 c 2 
ATOM   2317 H HD22 . ASN   B 1 30  ? -5.736  31.429  42.465  1 80.885  ? 42  ASN   B HD22 1 c 2 
ATOM   2318 N N    . GLY   B 1 31  ? -10.767 31.118  42.02   1 74.391  ? 43  GLY   B N    1 ? 2 
ATOM   2319 C CA   . GLY   B 1 31  ? -12.167 31.471  41.838  1 76.867  ? 43  GLY   B CA   1 ? 2 
ATOM   2320 C C    . GLY   B 1 31  ? -13.059 30.237  41.93   1 76.394  ? 43  GLY   B C    1 ? 2 
ATOM   2321 O O    . GLY   B 1 31  ? -12.554 29.12   41.955  1 83.287  ? 43  GLY   B O    1 ? 2 
ATOM   2322 H H    . GLY   B 1 31  ? -10.374 31.292  42.827  1 75.348  ? 43  GLY   B H    1 c 2 
ATOM   2323 H HA2  . GLY   B 1 31  ? -12.429 32.121  42.532  1 79.18   ? 43  GLY   B HA2  1 c 2 
ATOM   2324 H HA3  . GLY   B 1 31  ? -12.283 31.9    40.958  1 76.708  ? 43  GLY   B HA3  1 c 2 
ATOM   2325 N N    . GLU   B 1 32  ? -14.382 30.461  42.003  1 77.366  ? 44  GLU   B N    1 ? 2 
ATOM   2326 C CA   . GLU   B 1 32  ? -15.365 29.391  42.149  1 75.053  ? 44  GLU   B CA   1 ? 2 
ATOM   2327 C C    . GLU   B 1 32  ? -16.01  29.038  40.785  1 66.168  ? 44  GLU   B C    1 ? 2 
ATOM   2328 O O    . GLU   B 1 32  ? -16.64  27.995  40.661  1 61.879  ? 44  GLU   B O    1 ? 2 
ATOM   2329 C CB   . GLU   B 1 32  ? -16.288 29.804  43.307  1 70.654  ? 44  GLU   B CB   1 ? 2 
ATOM   2330 H H    . GLU   B 1 32  ? -14.682 31.324  41.96   1 78.985  ? 44  GLU   B H    1 c 2 
ATOM   2331 H HA   . GLU   B 1 32  ? -14.885 28.584  42.459  1 71.23   ? 44  GLU   B HA   1 c 2 
ATOM   2332 H HB2  . GLU   B 1 32  ? -15.629 29.903  44.111  0 30      ? 44  GLU   B HB2  1 c 2 
ATOM   2333 H HB3  . GLU   B 1 32  ? -17.111 29.566  43.044  0 30      ? 44  GLU   B HB3  1 c 2 
ATOM   2334 N N    . GLU   B 1 33  ? -15.838 29.895  39.759  1 62.914  ? 45  GLU   B N    1 ? 2 
ATOM   2335 C CA   . GLU   B 1 33  ? -16.499 29.764  38.47   1 60.983  ? 45  GLU   B CA   1 ? 2 
ATOM   2336 C C    . GLU   B 1 33  ? -15.784 28.743  37.572  1 62.051  ? 45  GLU   B C    1 ? 2 
ATOM   2337 O O    . GLU   B 1 33  ? -14.566 28.791  37.375  1 57.857  ? 45  GLU   B O    1 ? 2 
ATOM   2338 C CB   . GLU   B 1 33  ? -16.525 31.125  37.769  1 66.029  ? 45  GLU   B CB   1 ? 2 
ATOM   2339 H H    . GLU   B 1 33  ? -15.265 30.597  39.875  1 65.289  ? 45  GLU   B H    1 c 2 
ATOM   2340 H HA   . GLU   B 1 33  ? -17.43  29.464  38.624  1 62.316  ? 45  GLU   B HA   1 c 2 
ATOM   2341 H HB2  . GLU   B 1 33  ? -15.751 31.399  37.666  0 30      ? 45  GLU   B HB2  1 c 2 
ATOM   2342 H HB3  . GLU   B 1 33  ? -17.602 31.26   37.739  0 30      ? 45  GLU   B HB3  1 c 2 
ATOM   2343 N N    . THR   B 1 34  ? -16.554 27.836  36.967  1 58.011  ? 46  THR   B N    1 ? 2 
ATOM   2344 C CA   . THR   B 1 34  ? -16.025 26.973  35.912  1 52.206  ? 46  THR   B CA   1 ? 2 
ATOM   2345 C C    . THR   B 1 34  ? -16.7   27.407  34.623  1 56.463  ? 46  THR   B C    1 ? 2 
ATOM   2346 O O    . THR   B 1 34  ? -17.672 28.151  34.698  1 58.947  ? 46  THR   B O    1 ? 2 
ATOM   2347 C CB   . THR   B 1 34  ? -16.348 25.523  36.232  1 46.059  ? 46  THR   B CB   1 ? 2 
ATOM   2348 O OG1  . THR   B 1 34  ? -17.769 25.483  36.225  1 49.233  ? 46  THR   B OG1  1 ? 2 
ATOM   2349 C CG2  . THR   B 1 34  ? -15.836 25.07   37.584  1 44.306  ? 46  THR   B CG2  1 ? 2 
ATOM   2350 H H    . THR   B 1 34  ? -17.43  27.746  37.215  1 58.158  ? 46  THR   B H    1 c 2 
ATOM   2351 H HA   . THR   B 1 34  ? -15.054 27.089  35.839  1 52.601  ? 46  THR   B HA   1 c 2 
ATOM   2352 H HB   . THR   B 1 34  ? -15.994 24.93   35.528  1 45.333  ? 46  THR   B HB   1 c 2 
ATOM   2353 H HG1  . THR   B 1 34  ? -18.082 26.035  36.89   0 30      ? 46  THR   B HG1  1 c 2 
ATOM   2354 H HG21 . THR   B 1 34  ? -16.027 24.124  37.703  1 43.497  ? 46  THR   B HG21 1 c 2 
ATOM   2355 H HG22 . THR   B 1 34  ? -16.276 25.578  38.286  1 46.457  ? 46  THR   B HG22 1 c 2 
ATOM   2356 H HG23 . THR   B 1 34  ? -14.876 25.214  37.633  1 44.813  ? 46  THR   B HG23 1 c 2 
ATOM   2357 N N    . PRO   B 1 35  ? -16.238 27.009  33.418  1 51.691  ? 47  PRO   B N    1 ? 2 
ATOM   2358 C CA   . PRO   B 1 35  ? -16.877 27.491  32.209  1 56.832  ? 47  PRO   B CA   1 ? 2 
ATOM   2359 C C    . PRO   B 1 35  ? -18.249 26.877  31.921  1 59.208  ? 47  PRO   B C    1 ? 2 
ATOM   2360 O O    . PRO   B 1 35  ? -18.514 25.701  32.216  1 48.145  ? 47  PRO   B O    1 ? 2 
ATOM   2361 C CB   . PRO   B 1 35  ? -15.867 27.21   31.103  1 52.371  ? 47  PRO   B CB   1 ? 2 
ATOM   2362 C CG   . PRO   B 1 35  ? -14.939 26.169  31.661  1 54.792  ? 47  PRO   B CG   1 ? 2 
ATOM   2363 C CD   . PRO   B 1 35  ? -15.036 26.199  33.162  1 53.032  ? 47  PRO   B CD   1 ? 2 
ATOM   2364 H HA   . PRO   B 1 35  ? -16.98  28.463  32.28   1 57.86   ? 47  PRO   B HA   1 c 2 
ATOM   2365 H HB2  . PRO   B 1 35  ? -16.315 26.879  30.3    1 53.676  ? 47  PRO   B HB2  1 c 2 
ATOM   2366 H HB3  . PRO   B 1 35  ? -15.375 28.021  30.87   1 55.572  ? 47  PRO   B HB3  1 c 2 
ATOM   2367 H HG2  . PRO   B 1 35  ? -15.187 25.283  31.33   1 51.671  ? 47  PRO   B HG2  1 c 2 
ATOM   2368 H HG3  . PRO   B 1 35  ? -14.019 26.352  31.383  1 53.34   ? 47  PRO   B HG3  1 c 2 
ATOM   2369 H HD2  . PRO   B 1 35  ? -15.142 25.3    33.526  1 51.183  ? 47  PRO   B HD2  1 c 2 
ATOM   2370 H HD3  . PRO   B 1 35  ? -14.248 26.617  33.559  1 53.33   ? 47  PRO   B HD3  1 c 2 
ATOM   2371 N N    . MET   B 1 36  ? -19.077 27.717  31.287  1 59.439  ? 48  MET   B N    1 ? 2 
ATOM   2372 C CA   . MET   B 1 36  ? -20.408 27.365  30.843  1 58.304  ? 48  MET   B CA   1 ? 2 
ATOM   2373 C C    . MET   B 1 36  ? -20.255 26.897  29.402  1 58.451  ? 48  MET   B C    1 ? 2 
ATOM   2374 O O    . MET   B 1 36  ? -19.343 27.36   28.699  1 55.05   ? 48  MET   B O    1 ? 2 
ATOM   2375 C CB   . MET   B 1 36  ? -21.32  28.605  30.878  1 63.398  ? 48  MET   B CB   1 ? 2 
ATOM   2376 C CG   . MET   B 1 36  ? -21.563 29.19   32.261  1 63.236  ? 48  MET   B CG   1 ? 2 
ATOM   2377 S SD   . MET   B 1 36  ? -22.478 28.035  33.308  1 63.671  ? 48  MET   B SD   1 ? 2 
ATOM   2378 C CE   . MET   B 1 36  ? -22.083 28.594  34.968  1 68.664  ? 48  MET   B CE   1 ? 2 
ATOM   2379 H H    . MET   B 1 36  ? -18.786 28.568  31.124  1 60.992  ? 48  MET   B H    1 c 2 
ATOM   2380 H HA   . MET   B 1 36  ? -20.772 26.638  31.409  1 57.999  ? 48  MET   B HA   1 c 2 
ATOM   2381 H HB2  . MET   B 1 36  ? -20.921 29.298  30.31   1 63.725  ? 48  MET   B HB2  1 c 2 
ATOM   2382 H HB3  . MET   B 1 36  ? -22.185 28.363  30.484  1 63.018  ? 48  MET   B HB3  1 c 2 
ATOM   2383 H HG2  . MET   B 1 36  ? -20.707 29.397  32.685  1 63.633  ? 48  MET   B HG2  1 c 2 
ATOM   2384 H HG3  . MET   B 1 36  ? -22.073 30.021  32.18   1 66.333  ? 48  MET   B HG3  1 c 2 
ATOM   2385 H HE1  . MET   B 1 36  ? -22.543 28.032  35.618  1 67.425  ? 48  MET   B HE1  1 c 2 
ATOM   2386 H HE2  . MET   B 1 36  ? -21.12  28.534  35.109  1 66.644  ? 48  MET   B HE2  1 c 2 
ATOM   2387 H HE3  . MET   B 1 36  ? -22.371 29.52   35.076  1 70.06   ? 48  MET   B HE3  1 c 2 
ATOM   2388 N N    . ILE   B 1 37  ? -21.188 26.053  28.955  1 53.652  ? 49  ILE   B N    1 ? 2 
ATOM   2389 C CA   . ILE   B 1 37  ? -21.246 25.67   27.558  1 51.109  ? 49  ILE   B CA   1 ? 2 
ATOM   2390 C C    . ILE   B 1 37  ? -21.32  26.93   26.705  1 54.091  ? 49  ILE   B C    1 ? 2 
ATOM   2391 O O    . ILE   B 1 37  ? -22.111 27.84   27.002  1 58.54   ? 49  ILE   B O    1 ? 2 
ATOM   2392 C CB   . ILE   B 1 37  ? -22.489 24.807  27.278  1 56.213  ? 49  ILE   B CB   1 ? 2 
ATOM   2393 C CG1  . ILE   B 1 37  ? -22.622 23.543  28.184  1 54.491  ? 49  ILE   B CG1  1 ? 2 
ATOM   2394 C CG2  . ILE   B 1 37  ? -22.62  24.534  25.763  1 55.435  ? 49  ILE   B CG2  1 ? 2 
ATOM   2395 C CD1  . ILE   B 1 37  ? -21.344 22.874  28.674  1 58.602  ? 49  ILE   B CD1  1 ? 2 
ATOM   2396 H H    . ILE   B 1 37  ? -21.806 25.712  29.536  1 54.068  ? 49  ILE   B H    1 c 2 
ATOM   2397 H HA   . ILE   B 1 37  ? -20.441 25.165  27.328  1 50.933  ? 49  ILE   B HA   1 c 2 
ATOM   2398 H HB   . ILE   B 1 37  ? -23.254 25.371  27.51   1 56.823  ? 49  ILE   B HB   1 c 2 
ATOM   2399 H HG12 . ILE   B 1 37  ? -23.148 23.793  28.97   1 56.62   ? 49  ILE   B HG12 1 c 2 
ATOM   2400 H HG13 . ILE   B 1 37  ? -23.141 22.874  27.693  1 55.489  ? 49  ILE   B HG13 1 c 2 
ATOM   2401 H HG21 . ILE   B 1 37  ? -23.264 23.822  25.615  1 55.423  ? 49  ILE   B HG21 1 c 2 
ATOM   2402 H HG22 . ILE   B 1 37  ? -21.756 24.267  25.405  1 54.574  ? 49  ILE   B HG22 1 c 2 
ATOM   2403 H HG23 . ILE   B 1 37  ? -22.922 25.339  25.31   1 57.778  ? 49  ILE   B HG23 1 c 2 
ATOM   2404 H HD11 . ILE   B 1 37  ? -20.785 22.642  27.908  1 55.812  ? 49  ILE   B HD11 1 c 2 
ATOM   2405 H HD12 . ILE   B 1 37  ? -21.572 22.062  29.165  1 55.474  ? 49  ILE   B HD12 1 c 2 
ATOM   2406 H HD13 . ILE   B 1 37  ? -20.853 23.479  29.261  1 56.783  ? 49  ILE   B HD13 1 c 2 
ATOM   2407 N N    . GLY   B 1 38  ? -20.592 26.933  25.584  1 53.994  ? 50  GLY   B N    1 ? 2 
ATOM   2408 C CA   . GLY   B 1 38  ? -20.547 28.094  24.706  1 61.554  ? 50  GLY   B CA   1 ? 2 
ATOM   2409 C C    . GLY   B 1 38  ? -19.307 28.974  24.897  1 62.331  ? 50  GLY   B C    1 ? 2 
ATOM   2410 O O    . GLY   B 1 38  ? -18.937 29.691  23.964  1 70.504  ? 50  GLY   B O    1 ? 2 
ATOM   2411 H H    . GLY   B 1 38  ? -20.111 26.19   25.356  1 53.254  ? 50  GLY   B H    1 c 2 
ATOM   2412 H HA2  . GLY   B 1 38  ? -20.574 27.78   23.771  1 60.454  ? 50  GLY   B HA2  1 c 2 
ATOM   2413 H HA3  . GLY   B 1 38  ? -21.354 28.64   24.856  1 62.193  ? 50  GLY   B HA3  1 c 2 
ATOM   2414 N N    . ASP   B 1 39  ? -18.732 28.954  26.108  1 57.651  ? 51  ASP   B N    1 ? 2 
ATOM   2415 C CA   . ASP   B 1 39  ? -17.575 29.769  26.459  1 60.854  ? 51  ASP   B CA   1 ? 2 
ATOM   2416 C C    . ASP   B 1 39  ? -16.392 29.41   25.55   1 56.053  ? 51  ASP   B C    1 ? 2 
ATOM   2417 O O    . ASP   B 1 39  ? -16.215 28.255  25.149  1 61.317  ? 51  ASP   B O    1 ? 2 
ATOM   2418 C CB   . ASP   B 1 39  ? -17.158 29.594  27.922  1 56.148  ? 51  ASP   B CB   1 ? 2 
ATOM   2419 C CG   . ASP   B 1 39  ? -18.024 30.251  28.993  1 58.033  ? 51  ASP   B CG   1 ? 2 
ATOM   2420 O OD1  . ASP   B 1 39  ? -18.956 30.997  28.635  1 57.074  ? 51  ASP   B OD1  1 ? 2 
ATOM   2421 O OD2  . ASP   B 1 39  ? -17.777 30.015  30.203  1 60.632  ? 51  ASP   B OD2  1 ? 2 
ATOM   2422 H H    . ASP   B 1 39  ? -19.08  28.405  26.75   1 57.65   ? 51  ASP   B H    1 c 2 
ATOM   2423 H HA   . ASP   B 1 39  ? -17.809 30.714  26.315  1 61.361  ? 51  ASP   B HA   1 c 2 
ATOM   2424 H HB2  . ASP   B 1 39  ? -17.119 28.634  28.115  1 54.773  ? 51  ASP   B HB2  1 c 2 
ATOM   2425 H HB3  . ASP   B 1 39  ? -16.25  29.949  28.024  1 57.293  ? 51  ASP   B HB3  1 c 2 
ATOM   2426 N N    . LYS   B 1 40  ? -15.606 30.428  25.201  1 57.567  ? 52  LYS   B N    1 ? 2 
ATOM   2427 C CA   . LYS   B 1 40  ? -14.379 30.272  24.437  1 57.361  ? 52  LYS   B CA   1 ? 2 
ATOM   2428 C C    . LYS   B 1 40  ? -13.309 29.909  25.458  1 57.228  ? 52  LYS   B C    1 ? 2 
ATOM   2429 O O    . LYS   B 1 40  ? -13.18  30.584  26.481  1 58.841  ? 52  LYS   B O    1 ? 2 
ATOM   2430 C CB   . LYS   B 1 40  ? -14.049 31.559  23.653  1 60.099  ? 52  LYS   B CB   1 ? 2 
ATOM   2431 H H    . LYS   B 1 40  ? -15.847 31.271  25.461  1 59.699  ? 52  LYS   B H    1 c 2 
ATOM   2432 H HA   . LYS   B 1 40  ? -14.493 29.52   23.801  1 56.364  ? 52  LYS   B HA   1 c 2 
ATOM   2433 H HB2  . LYS   B 1 40  ? -12.977 31.414  23.553  0 30      ? 52  LYS   B HB2  1 c 2 
ATOM   2434 H HB3  . LYS   B 1 40  ? -14.761 31.848  23.262  0 30      ? 52  LYS   B HB3  1 c 2 
ATOM   2435 N N    . VAL   B 1 41  ? -12.614 28.786  25.239  1 56.729  ? 53  VAL   B N    1 ? 2 
ATOM   2436 C CA   . VAL   B 1 41  ? -11.707 28.265  26.258  1 54.691  ? 53  VAL   B CA   1 ? 2 
ATOM   2437 C C    . VAL   B 1 41  ? -10.265 28.176  25.737  1 49.277  ? 53  VAL   B C    1 ? 2 
ATOM   2438 O O    . VAL   B 1 41  ? -10.053 27.718  24.622  1 52.025  ? 53  VAL   B O    1 ? 2 
ATOM   2439 C CB   . VAL   B 1 41  ? -12.239 26.898  26.728  1 50.967  ? 53  VAL   B CB   1 ? 2 
ATOM   2440 C CG1  . VAL   B 1 41  ? -11.277 26.226  27.672  1 51.817  ? 53  VAL   B CG1  1 ? 2 
ATOM   2441 C CG2  . VAL   B 1 41  ? -13.566 27.039  27.448  1 58.107  ? 53  VAL   B CG2  1 ? 2 
ATOM   2442 H H    . VAL   B 1 41  ? -12.7   28.338  24.447  1 55.75   ? 53  VAL   B H    1 c 2 
ATOM   2443 H HA   . VAL   B 1 41  ? -11.719 28.873  27.021  1 54.32   ? 53  VAL   B HA   1 c 2 
ATOM   2444 H HB   . VAL   B 1 41  ? -12.362 26.33   25.931  1 52.094  ? 53  VAL   B HB   1 c 2 
ATOM   2445 H HG11 . VAL   B 1 41  ? -10.933 26.879  28.304  1 52.09   ? 53  VAL   B HG11 1 c 2 
ATOM   2446 H HG12 . VAL   B 1 41  ? -10.538 25.844  27.167  1 50.712  ? 53  VAL   B HG12 1 c 2 
ATOM   2447 H HG13 . VAL   B 1 41  ? -11.735 25.519  28.155  1 49.516  ? 53  VAL   B HG13 1 c 2 
ATOM   2448 H HG21 . VAL   B 1 41  ? -13.888 26.161  27.712  1 54.042  ? 53  VAL   B HG21 1 c 2 
ATOM   2449 H HG22 . VAL   B 1 41  ? -14.215 27.456  26.858  1 56.935  ? 53  VAL   B HG22 1 c 2 
ATOM   2450 H HG23 . VAL   B 1 41  ? -13.448 27.591  28.24   1 56.599  ? 53  VAL   B HG23 1 c 2 
ATOM   2451 N N    . TYR   B 1 42  ? -9.287  28.509  26.602  1 51.123  ? 54  TYR   B N    1 ? 2 
ATOM   2452 C CA   . TYR   B 1 42  ? -7.857  28.59   26.278  1 51.366  ? 54  TYR   B CA   1 ? 2 
ATOM   2453 C C    . TYR   B 1 42  ? -7.077  27.631  27.175  1 48.916  ? 54  TYR   B C    1 ? 2 
ATOM   2454 O O    . TYR   B 1 42  ? -7.124  27.795  28.384  1 42.392  ? 54  TYR   B O    1 ? 2 
ATOM   2455 C CB   . TYR   B 1 42  ? -7.27   29.986  26.559  1 58.445  ? 54  TYR   B CB   1 ? 2 
ATOM   2456 C CG   . TYR   B 1 42  ? -7.882  31.113  25.738  1 64.003  ? 54  TYR   B CG   1 ? 2 
ATOM   2457 C CD1  . TYR   B 1 42  ? -9.073  31.728  26.12   1 65.602  ? 54  TYR   B CD1  1 ? 2 
ATOM   2458 C CD2  . TYR   B 1 42  ? -7.279  31.536  24.559  1 66.069  ? 54  TYR   B CD2  1 ? 2 
ATOM   2459 C CE1  . TYR   B 1 42  ? -9.63   32.748  25.362  1 68.705  ? 54  TYR   B CE1  1 ? 2 
ATOM   2460 C CE2  . TYR   B 1 42  ? -7.822  32.553  23.798  1 68.142  ? 54  TYR   B CE2  1 ? 2 
ATOM   2461 C CZ   . TYR   B 1 42  ? -9.003  33.15   24.196  1 71.939  ? 54  TYR   B CZ   1 ? 2 
ATOM   2462 O OH   . TYR   B 1 42  ? -9.492  34.155  23.413  1 81.117  ? 54  TYR   B OH   1 ? 2 
ATOM   2463 H H    . TYR   B 1 42  ? -9.534  28.698  27.462  1 50.574  ? 54  TYR   B H    1 c 2 
ATOM   2464 H HA   . TYR   B 1 42  ? -7.713  28.352  25.324  1 52.251  ? 54  TYR   B HA   1 c 2 
ATOM   2465 H HB2  . TYR   B 1 42  ? -7.393  30.19   27.512  1 57.954  ? 54  TYR   B HB2  1 c 2 
ATOM   2466 H HB3  . TYR   B 1 42  ? -6.303  29.957  26.383  1 58.838  ? 54  TYR   B HB3  1 c 2 
ATOM   2467 H HD1  . TYR   B 1 42  ? -9.504  31.453  26.914  1 64.121  ? 54  TYR   B HD1  1 c 2 
ATOM   2468 H HD2  . TYR   B 1 42  ? -6.473  31.13   24.28   1 65.81   ? 54  TYR   B HD2  1 c 2 
ATOM   2469 H HE1  . TYR   B 1 42  ? -10.431 33.161  25.636  1 69.497  ? 54  TYR   B HE1  1 c 2 
ATOM   2470 H HE2  . TYR   B 1 42  ? -7.396  32.832  23.005  1 70.834  ? 54  TYR   B HE2  1 c 2 
ATOM   2471 H HH   . TYR   B 1 42  ? -10.458 34.393  23.932  0 30      ? 54  TYR   B HH   1 c 2 
ATOM   2472 N N    . VAL   B 1 43  ? -6.379  26.637  26.584  1 47.164  ? 55  VAL   B N    1 ? 2 
ATOM   2473 C CA   . VAL   B 1 43  ? -5.633  25.683  27.398  1 49.683  ? 55  VAL   B CA   1 ? 2 
ATOM   2474 C C    . VAL   B 1 43  ? -4.208  25.477  26.859  1 46.904  ? 55  VAL   B C    1 ? 2 
ATOM   2475 O O    . VAL   B 1 43  ? -3.917  25.761  25.687  1 48.216  ? 55  VAL   B O    1 ? 2 
ATOM   2476 C CB   . VAL   B 1 43  ? -6.338  24.307  27.526  1 41.877  ? 55  VAL   B CB   1 ? 2 
ATOM   2477 C CG1  . VAL   B 1 43  ? -7.739  24.422  28.101  1 43.618  ? 55  VAL   B CG1  1 ? 2 
ATOM   2478 C CG2  . VAL   B 1 43  ? -6.352  23.559  26.203  1 45.071  ? 55  VAL   B CG2  1 ? 2 
ATOM   2479 H H    . VAL   B 1 43  ? -6.369  26.556  25.674  1 48.54   ? 55  VAL   B H    1 c 2 
ATOM   2480 H HA   . VAL   B 1 43  ? -5.556  26.058  28.294  1 47.539  ? 55  VAL   B HA   1 c 2 
ATOM   2481 H HB   . VAL   B 1 43  ? -5.805  23.77   28.158  1 43.287  ? 55  VAL   B HB   1 c 2 
ATOM   2482 H HG11 . VAL   B 1 43  ? -8.292  24.956  27.506  1 43.528  ? 55  VAL   B HG11 1 c 2 
ATOM   2483 H HG12 . VAL   B 1 43  ? -7.699  24.849  28.973  1 43.268  ? 55  VAL   B HG12 1 c 2 
ATOM   2484 H HG13 . VAL   B 1 43  ? -8.127  23.536  28.193  1 41.109  ? 55  VAL   B HG13 1 c 2 
ATOM   2485 H HG21 . VAL   B 1 43  ? -6.916  22.773  26.283  1 42.258  ? 55  VAL   B HG21 1 c 2 
ATOM   2486 H HG22 . VAL   B 1 43  ? -5.448  23.285  25.973  1 44.359  ? 55  VAL   B HG22 1 c 2 
ATOM   2487 H HG23 . VAL   B 1 43  ? -6.702  24.138  25.506  1 44.888  ? 55  VAL   B HG23 1 c 2 
ATOM   2488 N N    . HIS   B 1 44  ? -3.349  24.948  27.743  1 44.872  ? 56  HIS   B N    1 ? 2 
ATOM   2489 C CA   . HIS   B 1 44  ? -2.191  24.152  27.364  1 48.151  ? 56  HIS   B CA   1 ? 2 
ATOM   2490 C C    . HIS   B 1 44  ? -2.469  22.703  27.759  1 43.053  ? 56  HIS   B C    1 ? 2 
ATOM   2491 O O    . HIS   B 1 44  ? -3.109  22.432  28.769  1 46.055  ? 56  HIS   B O    1 ? 2 
ATOM   2492 C CB   . HIS   B 1 44  ? -0.902  24.606  28.079  1 50.489  ? 56  HIS   B CB   1 ? 2 
ATOM   2493 C CG   . HIS   B 1 44  ? -0.263  25.767  27.398  1 56.01   ? 56  HIS   B CG   1 ? 2 
ATOM   2494 N ND1  . HIS   B 1 44  ? 0.028   25.775  26.047  1 55.589  ? 56  HIS   B ND1  1 ? 2 
ATOM   2495 C CD2  . HIS   B 1 44  ? 0.085   26.963  27.874  1 59.144  ? 56  HIS   B CD2  1 ? 2 
ATOM   2496 C CE1  . HIS   B 1 44  ? 0.512   26.949  25.722  1 60.327  ? 56  HIS   B CE1  1 ? 2 
ATOM   2497 N NE2  . HIS   B 1 44  ? 0.572   27.669  26.815  1 64.255  ? 56  HIS   B NE2  1 ? 2 
ATOM   2498 H H    . HIS   B 1 44  ? -3.496  25.097  28.633  1 45.772  ? 56  HIS   B H    1 c 2 
ATOM   2499 H HA   . HIS   B 1 44  ? -2.071  24.195  26.384  1 47.817  ? 56  HIS   B HA   1 c 2 
ATOM   2500 H HB2  . HIS   B 1 44  ? -1.122  24.856  29.003  1 50.828  ? 56  HIS   B HB2  1 c 2 
ATOM   2501 H HB3  . HIS   B 1 44  ? -0.267  23.857  28.101  1 50.729  ? 56  HIS   B HB3  1 c 2 
ATOM   2502 H HD1  . HIS   B 1 44  ? -0.139  25.226  25.505  0 30      ? 56  HIS   B HD1  1 c 2 
ATOM   2503 H HD2  . HIS   B 1 44  ? 0.006   27.267  28.757  1 59.677  ? 56  HIS   B HD2  1 c 2 
ATOM   2504 H HE1  . HIS   B 1 44  ? 0.816   27.208  24.869  1 62.188  ? 56  HIS   B HE1  1 c 2 
ATOM   2505 H HE2  . HIS   B 1 44  ? 0.906   28.553  26.987  0 30      ? 56  HIS   B HE2  1 c 2 
ATOM   2506 N N    . TYR   B 1 45  ? -1.973  21.759  26.958  1 44.434  ? 57  TYR   B N    1 ? 2 
ATOM   2507 C CA   . TYR   B 1 45  ? -2.167  20.35   27.269  1 43.069  ? 57  TYR   B CA   1 ? 2 
ATOM   2508 C C    . TYR   B 1 45  ? -0.968  19.521  26.795  1 40.002  ? 57  TYR   B C    1 ? 2 
ATOM   2509 O O    . TYR   B 1 45  ? -0.322  19.869  25.814  1 45.526  ? 57  TYR   B O    1 ? 2 
ATOM   2510 C CB   . TYR   B 1 45  ? -3.504  19.872  26.664  1 37.686  ? 57  TYR   B CB   1 ? 2 
ATOM   2511 C CG   . TYR   B 1 45  ? -3.416  19.622  25.165  1 36.341  ? 57  TYR   B CG   1 ? 2 
ATOM   2512 C CD1  . TYR   B 1 45  ? -3.006  18.395  24.674  1 37.113  ? 57  TYR   B CD1  1 ? 2 
ATOM   2513 C CD2  . TYR   B 1 45  ? -3.655  20.637  24.246  1 39.114  ? 57  TYR   B CD2  1 ? 2 
ATOM   2514 C CE1  . TYR   B 1 45  ? -2.861  18.17   23.325  1 39.413  ? 57  TYR   B CE1  1 ? 2 
ATOM   2515 C CE2  . TYR   B 1 45  ? -3.545  20.423  22.887  1 43.122  ? 57  TYR   B CE2  1 ? 2 
ATOM   2516 C CZ   . TYR   B 1 45  ? -3.117  19.195  22.426  1 41.276  ? 57  TYR   B CZ   1 ? 2 
ATOM   2517 O OH   . TYR   B 1 45  ? -2.994  18.966  21.099  1 45.296  ? 57  TYR   B OH   1 ? 2 
ATOM   2518 H H    . TYR   B 1 45  ? -1.507  21.992  26.206  1 45.465  ? 57  TYR   B H    1 c 2 
ATOM   2519 H HA   . TYR   B 1 45  ? -2.228  20.262  28.254  1 41.05   ? 57  TYR   B HA   1 c 2 
ATOM   2520 H HB2  . TYR   B 1 45  ? -3.774  19.04   27.113  1 36.554  ? 57  TYR   B HB2  1 c 2 
ATOM   2521 H HB3  . TYR   B 1 45  ? -4.192  20.553  26.837  1 37.891  ? 57  TYR   B HB3  1 c 2 
ATOM   2522 H HD1  . TYR   B 1 45  ? -2.807  17.699  25.279  1 36.386  ? 57  TYR   B HD1  1 c 2 
ATOM   2523 H HD2  . TYR   B 1 45  ? -3.929  21.485  24.556  1 40.072  ? 57  TYR   B HD2  1 c 2 
ATOM   2524 H HE1  . TYR   B 1 45  ? -2.59   17.325  23.014  1 39.057  ? 57  TYR   B HE1  1 c 2 
ATOM   2525 H HE2  . TYR   B 1 45  ? -3.715  21.123  22.28   1 43.282  ? 57  TYR   B HE2  1 c 2 
ATOM   2526 H HH   . TYR   B 1 45  ? -2.745  18.139  20.927  0 30      ? 57  TYR   B HH   1 c 2 
ATOM   2527 N N    . LYS   B 1 46  ? -0.804  18.363  27.446  1 40.883  ? 58  LYS   B N    1 ? 2 
ATOM   2528 C CA   . LYS   B 1 46  ? -0.021  17.255  26.916  1 42.112  ? 58  LYS   B CA   1 ? 2 
ATOM   2529 C C    . LYS   B 1 46  ? -0.883  16.006  26.873  1 37.263  ? 58  LYS   B C    1 ? 2 
ATOM   2530 O O    . LYS   B 1 46  ? -1.627  15.725  27.793  1 40.628  ? 58  LYS   B O    1 ? 2 
ATOM   2531 C CB   . LYS   B 1 46  ? 1.202   16.986  27.796  1 42.44   ? 58  LYS   B CB   1 ? 2 
ATOM   2532 H H    . LYS   B 1 46  ? -1.201  18.26   28.263  1 39.659  ? 58  LYS   B H    1 c 2 
ATOM   2533 H HA   . LYS   B 1 46  ? 0.273   17.481  25.999  1 42.368  ? 58  LYS   B HA   1 c 2 
ATOM   2534 H HB2  . LYS   B 1 46  ? 2.045   17.205  27.155  0 30      ? 58  LYS   B HB2  1 c 2 
ATOM   2535 H HB3  . LYS   B 1 46  ? 0.998   16.846  28.648  0 30      ? 58  LYS   B HB3  1 c 2 
ATOM   2536 N N    . GLY   B 1 47  ? -0.85   15.261  25.776  1 40.065  ? 59  GLY   B N    1 ? 2 
ATOM   2537 C CA   . GLY   B 1 47  ? -1.705  14.081  25.67   1 35.074  ? 59  GLY   B CA   1 ? 2 
ATOM   2538 C C    . GLY   B 1 47  ? -0.898  12.929  25.094  1 36.706  ? 59  GLY   B C    1 ? 2 
ATOM   2539 O O    . GLY   B 1 47  ? 0.169   13.16   24.561  1 42.901  ? 59  GLY   B O    1 ? 2 
ATOM   2540 H H    . GLY   B 1 47  ? -0.294  15.478  25.084  1 40.079  ? 59  GLY   B H    1 c 2 
ATOM   2541 H HA2  . GLY   B 1 47  ? -2.047  13.837  26.559  1 34.981  ? 59  GLY   B HA2  1 c 2 
ATOM   2542 H HA3  . GLY   B 1 47  ? -2.472  14.282  25.085  1 35.314  ? 59  GLY   B HA3  1 c 2 
ATOM   2543 N N    . LYS   B 1 48  ? -1.462  11.728  25.176  1 37.096  ? 60  LYS   B N    1 ? 2 
ATOM   2544 C CA   . LYS   B 1 48  ? -0.844  10.498  24.75   1 38.045  ? 60  LYS   B CA   1 ? 2 
ATOM   2545 C C    . LYS   B 1 48  ? -1.859  9.372   24.848  1 35.519  ? 60  LYS   B C    1 ? 2 
ATOM   2546 O O    . LYS   B 1 48  ? -2.918  9.486   25.496  1 32.522  ? 60  LYS   B O    1 ? 2 
ATOM   2547 C CB   . LYS   B 1 48  ? 0.38    10.128  25.584  1 38.706  ? 60  LYS   B CB   1 ? 2 
ATOM   2548 C CG   . LYS   B 1 48  ? 0.161   9.894   27.054  1 41.696  ? 60  LYS   B CG   1 ? 2 
ATOM   2549 C CD   . LYS   B 1 48  ? 1.506   9.605   27.719  1 44.126  ? 60  LYS   B CD   1 ? 2 
ATOM   2550 C CE   . LYS   B 1 48  ? 1.377   9.183   29.146  1 48.335  ? 60  LYS   B CE   1 ? 2 
ATOM   2551 N NZ   . LYS   B 1 48  ? 2.609   8.531   29.671  1 53.137  ? 60  LYS   B NZ   1 ? 2 
ATOM   2552 H H    . LYS   B 1 48  ? -2.304  11.68   25.529  1 35.331  ? 60  LYS   B H    1 c 2 
ATOM   2553 H HA   . LYS   B 1 48  ? -0.57   10.599  23.803  1 38.733  ? 60  LYS   B HA   1 c 2 
ATOM   2554 H HB2  . LYS   B 1 48  ? 0.772   9.314   25.204  1 40.642  ? 60  LYS   B HB2  1 c 2 
ATOM   2555 H HB3  . LYS   B 1 48  ? 1.044   10.843  25.488  1 41.072  ? 60  LYS   B HB3  1 c 2 
ATOM   2556 H HG2  . LYS   B 1 48  ? -0.244  10.694  27.455  1 40.07   ? 60  LYS   B HG2  1 c 2 
ATOM   2557 H HG3  . LYS   B 1 48  ? -0.442  9.131   27.18   1 39.87   ? 60  LYS   B HG3  1 c 2 
ATOM   2558 H HD2  . LYS   B 1 48  ? 1.966   8.899   27.216  1 46.2    ? 60  LYS   B HD2  1 c 2 
ATOM   2559 H HD3  . LYS   B 1 48  ? 2.06    10.415  27.677  1 46.248  ? 60  LYS   B HD3  1 c 2 
ATOM   2560 H HE2  . LYS   B 1 48  ? 1.173   9.96    29.697  1 47.299  ? 60  LYS   B HE2  1 c 2 
ATOM   2561 H HE3  . LYS   B 1 48  ? 0.635   8.556   29.227  1 46.484  ? 60  LYS   B HE3  1 c 2 
ATOM   2562 H HZ1  . LYS   B 1 48  ? 3.229   9.162   29.866  1 53.46   ? 60  LYS   B HZ1  1 c 2 
ATOM   2563 H HZ2  . LYS   B 1 48  ? 2.947   7.961   29.053  1 53.086  ? 60  LYS   B HZ2  1 c 2 
ATOM   2564 H HZ3  . LYS   B 1 48  ? 2.411   8.067   30.424  1 52.112  ? 60  LYS   B HZ3  1 c 2 
ATOM   2565 N N    . LEU   B 1 49  ? -1.539  8.283   24.167  1 35.112  ? 61  LEU   B N    1 ? 2 
ATOM   2566 C CA   . LEU   B 1 49  ? -2.279  7.045   24.318  1 37.719  ? 61  LEU   B CA   1 ? 2 
ATOM   2567 C C    . LEU   B 1 49  ? -1.882  6.553   25.703  1 38.605  ? 61  LEU   B C    1 ? 2 
ATOM   2568 O O    . LEU   B 1 49  ? -0.774  6.811   26.161  1 42.989  ? 61  LEU   B O    1 ? 2 
ATOM   2569 C CB   . LEU   B 1 49  ? -1.951  5.994   23.246  1 38.586  ? 61  LEU   B CB   1 ? 2 
ATOM   2570 C CG   . LEU   B 1 49  ? -2.078  6.406   21.778  1 42.313  ? 61  LEU   B CG   1 ? 2 
ATOM   2571 C CD1  . LEU   B 1 49  ? -1.824  5.266   20.774  1 43.304  ? 61  LEU   B CD1  1 ? 2 
ATOM   2572 C CD2  . LEU   B 1 49  ? -3.448  6.919   21.501  1 40.028  ? 61  LEU   B CD2  1 ? 2 
ATOM   2573 H H    . LEU   B 1 49  ? -0.833  8.307   23.587  1 37.648  ? 61  LEU   B H    1 c 2 
ATOM   2574 H HA   . LEU   B 1 49  ? -3.25   7.245   24.305  1 35.765  ? 61  LEU   B HA   1 c 2 
ATOM   2575 H HB2  . LEU   B 1 49  ? -1.027  5.685   23.398  1 40.736  ? 61  LEU   B HB2  1 c 2 
ATOM   2576 H HB3  . LEU   B 1 49  ? -2.536  5.216   23.397  1 38.808  ? 61  LEU   B HB3  1 c 2 
ATOM   2577 H HG   . LEU   B 1 49  ? -1.429  7.134   21.599  1 42.376  ? 61  LEU   B HG   1 c 2 
ATOM   2578 H HD11 . LEU   B 1 49  ? -0.923  4.922   20.894  1 44.896  ? 61  LEU   B HD11 1 c 2 
ATOM   2579 H HD12 . LEU   B 1 49  ? -1.923  5.602   19.867  1 44.169  ? 61  LEU   B HD12 1 c 2 
ATOM   2580 H HD13 . LEU   B 1 49  ? -2.466  4.551   20.925  1 42.839  ? 61  LEU   B HD13 1 c 2 
ATOM   2581 H HD21 . LEU   B 1 49  ? -3.615  7.712   22.037  1 39.32   ? 61  LEU   B HD21 1 c 2 
ATOM   2582 H HD22 . LEU   B 1 49  ? -4.102  6.235   21.723  1 39.438  ? 61  LEU   B HD22 1 c 2 
ATOM   2583 H HD23 . LEU   B 1 49  ? -3.527  7.146   20.559  1 40.947  ? 61  LEU   B HD23 1 c 2 
ATOM   2584 N N    . SER   B 1 50  ? -2.776  5.866   26.397  1 39.83   ? 62  SER   B N    1 ? 2 
ATOM   2585 C CA   . SER   B 1 50  ? -2.442  5.431   27.74   1 44.917  ? 62  SER   B CA   1 ? 2 
ATOM   2586 C C    . SER   B 1 50  ? -1.24   4.47    27.719  1 45.212  ? 62  SER   B C    1 ? 2 
ATOM   2587 O O    . SER   B 1 50  ? -0.547  4.396   28.721  1 54.776  ? 62  SER   B O    1 ? 2 
ATOM   2588 C CB   . SER   B 1 50  ? -3.62   4.812   28.44   1 45.975  ? 62  SER   B CB   1 ? 2 
ATOM   2589 O OG   . SER   B 1 50  ? -4.096  3.712   27.7    1 53.306  ? 62  SER   B OG   1 ? 2 
ATOM   2590 H H    . SER   B 1 50  ? -3.594  5.664   26.042  1 39.396  ? 62  SER   B H    1 c 2 
ATOM   2591 H HA   . SER   B 1 50  ? -2.174  6.234   28.256  1 43.837  ? 62  SER   B HA   1 c 2 
ATOM   2592 H HB2  . SER   B 1 50  ? -3.353  4.516   29.33   1 47.445  ? 62  SER   B HB2  1 c 2 
ATOM   2593 H HB3  . SER   B 1 50  ? -4.33   5.475   28.533  1 45.698  ? 62  SER   B HB3  1 c 2 
ATOM   2594 H HG   . SER   B 1 50  ? -4.756  3.157   27.533  0 30      ? 62  SER   B HG   1 c 2 
ATOM   2595 N N    . ASN   B 1 51  ? -1.077  3.736   26.616  1 46.547  ? 63  ASN   B N    1 ? 2 
ATOM   2596 C CA   . ASN   B 1 51  ? 0.079   2.926   26.201  1 54.529  ? 63  ASN   B CA   1 ? 2 
ATOM   2597 C C    . ASN   B 1 51  ? 1.399   3.706   26.205  1 65.954  ? 63  ASN   B C    1 ? 2 
ATOM   2598 O O    . ASN   B 1 51  ? 2.459   3.085   26.204  1 64.485  ? 63  ASN   B O    1 ? 2 
ATOM   2599 C CB   . ASN   B 1 51  ? -0.041  2.423   24.75   1 46.293  ? 63  ASN   B CB   1 ? 2 
ATOM   2600 H H    . ASN   B 1 51  ? -1.794  3.724   26.05   1 46.663  ? 63  ASN   B H    1 c 2 
ATOM   2601 H HA   . ASN   B 1 51  ? 0.155   2.144   26.794  1 53.689  ? 63  ASN   B HA   1 c 2 
ATOM   2602 H HB2  . ASN   B 1 51  ? 1.052   2.151   24.577  0 30      ? 63  ASN   B HB2  1 c 2 
ATOM   2603 H HB3  . ASN   B 1 51  ? -0.795  2.163   24.608  0 30      ? 63  ASN   B HB3  1 c 2 
ATOM   2604 N N    . GLY   B 1 52  ? 1.355   5.052   26.179  1 69.022  ? 64  GLY   B N    1 ? 2 
ATOM   2605 C CA   . GLY   B 1 52  ? 2.55    5.868   26.313  1 68.146  ? 64  GLY   B CA   1 ? 2 
ATOM   2606 C C    . GLY   B 1 52  ? 3.091   6.38    24.981  1 71.482  ? 64  GLY   B C    1 ? 2 
ATOM   2607 O O    . GLY   B 1 52  ? 3.99    7.23    24.995  1 73.975  ? 64  GLY   B O    1 ? 2 
ATOM   2608 H H    . GLY   B 1 52  ? 0.555   5.472   26.05   1 65.305  ? 64  GLY   B H    1 c 2 
ATOM   2609 H HA2  . GLY   B 1 52  ? 2.342   6.636   26.893  1 68.085  ? 64  GLY   B HA2  1 c 2 
ATOM   2610 H HA3  . GLY   B 1 52  ? 3.25    5.338   26.763  1 70.592  ? 64  GLY   B HA3  1 c 2 
ATOM   2611 N N    . LYS   B 1 53  ? 2.529   5.914   23.85   1 65.502  ? 65  LYS   B N    1 ? 2 
ATOM   2612 C CA   . LYS   B 1 53  ? 2.942   6.417   22.543  1 68.024  ? 65  LYS   B CA   1 ? 2 
ATOM   2613 C C    . LYS   B 1 53  ? 2.075   7.618   22.09   1 69.212  ? 65  LYS   B C    1 ? 2 
ATOM   2614 O O    . LYS   B 1 53  ? 1.108   8.079   22.755  1 63.251  ? 65  LYS   B O    1 ? 2 
ATOM   2615 C CB   . LYS   B 1 53  ? 3.055   5.263   21.532  1 60.276  ? 65  LYS   B CB   1 ? 2 
ATOM   2616 H H    . LYS   B 1 53  ? 1.876   5.276   23.893  1 66.047  ? 65  LYS   B H    1 c 2 
ATOM   2617 H HA   . LYS   B 1 53  ? 3.867   6.76    22.642  1 68.158  ? 65  LYS   B HA   1 c 2 
ATOM   2618 H HB2  . LYS   B 1 53  ? 3.955   5.112   21.302  0 30      ? 65  LYS   B HB2  1 c 2 
ATOM   2619 H HB3  . LYS   B 1 53  ? 2.096   5.088   21.28   0 30      ? 65  LYS   B HB3  1 c 2 
ATOM   2620 N N    . LYS   B 1 54  ? 2.496   8.197   20.949  1 59.947  ? 66  LYS   B N    1 ? 2 
ATOM   2621 C CA   . LYS   B 1 54  ? 1.81    9.289   20.267  1 57.393  ? 66  LYS   B CA   1 ? 2 
ATOM   2622 C C    . LYS   B 1 54  ? 1.804   10.591  21.109  1 60.992  ? 66  LYS   B C    1 ? 2 
ATOM   2623 O O    . LYS   B 1 54  ? 1.053   11.514  20.798  1 70.106  ? 66  LYS   B O    1 ? 2 
ATOM   2624 C CB   . LYS   B 1 54  ? 0.471   8.713   19.754  1 54.534  ? 66  LYS   B CB   1 ? 2 
ATOM   2625 H H    . LYS   B 1 54  ? 3.272   7.891   20.578  1 63.843  ? 66  LYS   B H    1 c 2 
ATOM   2626 H HA   . LYS   B 1 54  ? 2.335   9.489   19.45   1 60.225  ? 66  LYS   B HA   1 c 2 
ATOM   2627 H HB2  . LYS   B 1 54  ? 0.513   8.006   19.283  0 30      ? 66  LYS   B HB2  1 c 2 
ATOM   2628 H HB3  . LYS   B 1 54  ? -0.317  9.339   20.277  0 30      ? 66  LYS   B HB3  1 c 2 
ATOM   2629 N N    . PHE   B 1 55  ? 2.735   10.765  22.066  1 61.366  ? 67  PHE   B N    1 ? 2 
ATOM   2630 C CA   . PHE   B 1 55  ? 2.764   11.938  22.942  1 61.61   ? 67  PHE   B CA   1 ? 2 
ATOM   2631 C C    . PHE   B 1 55  ? 2.581   13.242  22.156  1 54.529  ? 67  PHE   B C    1 ? 2 
ATOM   2632 O O    . PHE   B 1 55  ? 3.308   13.471  21.217  1 60.875  ? 67  PHE   B O    1 ? 2 
ATOM   2633 C CB   . PHE   B 1 55  ? 4.069   11.885  23.735  1 64.36   ? 67  PHE   B CB   1 ? 2 
ATOM   2634 C CG   . PHE   B 1 55  ? 4.147   12.864  24.908  1 77.351  ? 67  PHE   B CG   1 ? 2 
ATOM   2635 C CD1  . PHE   B 1 55  ? 4.578   14.189  24.739  1 86.877  ? 67  PHE   B CD1  1 ? 2 
ATOM   2636 C CD2  . PHE   B 1 55  ? 3.838   12.442  26.201  1 83.555  ? 67  PHE   B CD2  1 ? 2 
ATOM   2637 C CE1  . PHE   B 1 55  ? 4.669   15.061  25.822  1 89.524  ? 67  PHE   B CE1  1 ? 2 
ATOM   2638 C CE2  . PHE   B 1 55  ? 3.94    13.313  27.284  1 86.757  ? 67  PHE   B CE2  1 ? 2 
ATOM   2639 C CZ   . PHE   B 1 55  ? 4.36    14.618  27.093  1 86.601  ? 67  PHE   B CZ   1 ? 2 
ATOM   2640 H H    . PHE   B 1 55  ? 3.387   10.132  22.166  1 62.851  ? 67  PHE   B H    1 c 2 
ATOM   2641 H HA   . PHE   B 1 55  ? 2.013   11.855  23.584  1 57.844  ? 67  PHE   B HA   1 c 2 
ATOM   2642 H HB2  . PHE   B 1 55  ? 4.186   10.972  24.08   1 66.687  ? 67  PHE   B HB2  1 c 2 
ATOM   2643 H HB3  . PHE   B 1 55  ? 4.813   12.069  23.12   1 68.984  ? 67  PHE   B HB3  1 c 2 
ATOM   2644 H HD1  . PHE   B 1 55  ? 4.799   14.497  23.874  1 86.649  ? 67  PHE   B HD1  1 c 2 
ATOM   2645 H HD2  . PHE   B 1 55  ? 3.563   11.551  26.344  1 81.1    ? 67  PHE   B HD2  1 c 2 
ATOM   2646 H HE1  . PHE   B 1 55  ? 4.953   15.951  25.688  1 89.668  ? 67  PHE   B HE1  1 c 2 
ATOM   2647 H HE2  . PHE   B 1 55  ? 3.72    13.011  28.15   1 84.71   ? 67  PHE   B HE2  1 c 2 
ATOM   2648 H HZ   . PHE   B 1 55  ? 4.414   15.211  27.826  1 87.402  ? 67  PHE   B HZ   1 c 2 
ATOM   2649 N N    . ASP   B 1 56  ? 1.615   14.102  22.533  1 49.651  ? 68  ASP   B N    1 ? 2 
ATOM   2650 C CA   . ASP   B 1 56  ? 1.271   15.317  21.79   1 51.673  ? 68  ASP   B CA   1 ? 2 
ATOM   2651 C C    . ASP   B 1 56  ? 1.164   16.483  22.772  1 60.153  ? 68  ASP   B C    1 ? 2 
ATOM   2652 O O    . ASP   B 1 56  ? 0.609   16.315  23.849  1 55.089  ? 68  ASP   B O    1 ? 2 
ATOM   2653 C CB   . ASP   B 1 56  ? -0.002  15.188  20.958  1 50.85   ? 68  ASP   B CB   1 ? 2 
ATOM   2654 C CG   . ASP   B 1 56  ? -0.691  16.502  20.582  1 57.95   ? 68  ASP   B CG   1 ? 2 
ATOM   2655 O OD1  . ASP   B 1 56  ? 0.04    17.399  20.072  1 62.897  ? 68  ASP   B OD1  1 ? 2 
ATOM   2656 O OD2  . ASP   B 1 56  ? -1.915  16.68   20.88   1 50.288  ? 68  ASP   B OD2  1 ? 2 
ATOM   2657 H H    . ASP   B 1 56  ? 1.147   13.92   23.296  1 49.229  ? 68  ASP   B H    1 c 2 
ATOM   2658 H HA   . ASP   B 1 56  ? 2.004   15.511  21.164  1 55.129  ? 68  ASP   B HA   1 c 2 
ATOM   2659 H HB2  . ASP   B 1 56  ? 0.215   14.713  20.129  1 53.133  ? 68  ASP   B HB2  1 c 2 
ATOM   2660 H HB3  . ASP   B 1 56  ? -0.645  14.642  21.456  1 50.306  ? 68  ASP   B HB3  1 c 2 
ATOM   2661 N N    . SER   B 1 57  ? 1.664   17.667  22.38   1 59.02   ? 69  SER   B N    1 ? 2 
ATOM   2662 C CA   . SER   B 1 57  ? 1.665   18.841  23.247  1 63.949  ? 69  SER   B CA   1 ? 2 
ATOM   2663 C C    . SER   B 1 57  ? 1.301   20.108  22.471  1 60.197  ? 69  SER   B C    1 ? 2 
ATOM   2664 O O    . SER   B 1 57  ? 1.858   20.362  21.409  1 65.406  ? 69  SER   B O    1 ? 2 
ATOM   2665 C CB   . SER   B 1 57  ? 3.015   19.004  23.896  1 69.772  ? 69  SER   B CB   1 ? 2 
ATOM   2666 O OG   . SER   B 1 57  ? 3.022   20.143  24.734  1 72.653  ? 69  SER   B OG   1 ? 2 
ATOM   2667 H H    . SER   B 1 57  ? 2.016   17.745  21.54   1 62.197  ? 69  SER   B H    1 c 2 
ATOM   2668 H HA   . SER   B 1 57  ? 0.99    18.705  23.957  1 60.602  ? 69  SER   B HA   1 c 2 
ATOM   2669 H HB2  . SER   B 1 57  ? 3.222   18.209  24.422  1 68.687  ? 69  SER   B HB2  1 c 2 
ATOM   2670 H HB3  . SER   B 1 57  ? 3.697   19.103  23.206  1 71.561  ? 69  SER   B HB3  1 c 2 
ATOM   2671 H HG   . SER   B 1 57  ? 3.842   20.196  24.946  0 30      ? 69  SER   B HG   1 c 2 
ATOM   2672 N N    . SER   B 1 58  ? 0.379   20.904  23.015  1 56.961  ? 70  SER   B N    1 ? 2 
ATOM   2673 C CA   . SER   B 1 58  ? 0.114   22.254  22.538  1 58.383  ? 70  SER   B CA   1 ? 2 
ATOM   2674 C C    . SER   B 1 58  ? 1.4     23.078  22.437  1 70.088  ? 70  SER   B C    1 ? 2 
ATOM   2675 O O    . SER   B 1 58  ? 1.581   23.834  21.477  1 76.452  ? 70  SER   B O    1 ? 2 
ATOM   2676 C CB   . SER   B 1 58  ? -0.831  23.005  23.427  1 51.065  ? 70  SER   B CB   1 ? 2 
ATOM   2677 O OG   . SER   B 1 58  ? -0.427  22.992  24.79   1 52.027  ? 70  SER   B OG   1 ? 2 
ATOM   2678 H H    . SER   B 1 58  ? -0.111  20.591  23.72   1 55.646  ? 70  SER   B H    1 c 2 
ATOM   2679 H HA   . SER   B 1 58  ? -0.287  22.19   21.634  1 58.704  ? 70  SER   B HA   1 c 2 
ATOM   2680 H HB2  . SER   B 1 58  ? -0.892  23.93   23.12   1 54.38   ? 70  SER   B HB2  1 c 2 
ATOM   2681 H HB3  . SER   B 1 58  ? -1.72   22.608  23.353  1 50.928  ? 70  SER   B HB3  1 c 2 
ATOM   2682 H HG   . SER   B 1 58  ? -1.028  23.451  25.226  0 30      ? 70  SER   B HG   1 c 2 
ATOM   2683 N N    . HIS   B 1 59  ? 2.244   22.997  23.477  1 71.42   ? 71  HIS   B N    1 ? 2 
ATOM   2684 C CA   . HIS   B 1 59  ? 3.496   23.756  23.498  1 78.617  ? 71  HIS   B CA   1 ? 2 
ATOM   2685 C C    . HIS   B 1 59  ? 4.277   23.632  22.187  1 83.57   ? 71  HIS   B C    1 ? 2 
ATOM   2686 O O    . HIS   B 1 59  ? 4.838   24.609  21.681  1 82.761  ? 71  HIS   B O    1 ? 2 
ATOM   2687 C CB   . HIS   B 1 59  ? 4.419   23.318  24.639  1 74.119  ? 71  HIS   B CB   1 ? 2 
ATOM   2688 C CG   . HIS   B 1 59  ? 3.811   23.543  25.971  1 69.902  ? 71  HIS   B CG   1 ? 2 
ATOM   2689 N ND1  . HIS   B 1 59  ? 3.481   22.49   26.796  1 70.982  ? 71  HIS   B ND1  1 ? 2 
ATOM   2690 C CD2  . HIS   B 1 59  ? 3.43    24.658  26.587  1 72.276  ? 71  HIS   B CD2  1 ? 2 
ATOM   2691 C CE1  . HIS   B 1 59  ? 2.946   22.973  27.91   1 77.816  ? 71  HIS   B CE1  1 ? 2 
ATOM   2692 N NE2  . HIS   B 1 59  ? 2.909   24.298  27.806  1 76.365  ? 71  HIS   B NE2  1 ? 2 
ATOM   2693 H H    . HIS   B 1 59  ? 2.039   22.459  24.187  1 70.085  ? 71  HIS   B H    1 c 2 
ATOM   2694 H HA   . HIS   B 1 59  ? 3.265   24.709  23.63   1 78.348  ? 71  HIS   B HA   1 c 2 
ATOM   2695 H HB2  . HIS   B 1 59  ? 4.623   22.363  24.535  1 73.69   ? 71  HIS   B HB2  1 c 2 
ATOM   2696 H HB3  . HIS   B 1 59  ? 5.26    23.824  24.581  1 77.204  ? 71  HIS   B HB3  1 c 2 
ATOM   2697 H HD1  . HIS   B 1 59  ? 3.696   21.726  26.764  0 30      ? 71  HIS   B HD1  1 c 2 
ATOM   2698 H HD2  . HIS   B 1 59  ? 3.527   25.535  26.271  1 75.072  ? 71  HIS   B HD2  1 c 2 
ATOM   2699 H HE1  . HIS   B 1 59  ? 2.642   22.466  28.643  1 73.531  ? 71  HIS   B HE1  1 c 2 
ATOM   2700 H HE2  . HIS   B 1 59  ? 2.335   24.854  28.443  0 30      ? 71  HIS   B HE2  1 c 2 
ATOM   2701 N N    . ASP   B 1 60  ? 4.315   22.409  21.653  1 85.044  ? 72  ASP   B N    1 ? 2 
ATOM   2702 C CA   . ASP   B 1 60  ? 5.037   22.097  20.429  1 96.831  ? 72  ASP   B CA   1 ? 2 
ATOM   2703 C C    . ASP   B 1 60  ? 4.432   22.774  19.191  1 104.692 ? 72  ASP   B C    1 ? 2 
ATOM   2704 O O    . ASP   B 1 60  ? 5.047   22.766  18.123  1 103.686 ? 72  ASP   B O    1 ? 2 
ATOM   2705 C CB   . ASP   B 1 60  ? 5.089   20.591  20.221  1 95.003  ? 72  ASP   B CB   1 ? 2 
ATOM   2706 C CG   . ASP   B 1 60  ? 5.75    19.799  21.342  1 91.699  ? 72  ASP   B CG   1 ? 2 
ATOM   2707 O OD1  . ASP   B 1 60  ? 6.494   20.398  22.159  1 89.182  ? 72  ASP   B OD1  1 ? 2 
ATOM   2708 O OD2  . ASP   B 1 60  ? 5.498   18.589  21.404  1 92.168  ? 72  ASP   B OD2  1 ? 2 
ATOM   2709 H H    . ASP   B 1 60  ? 3.873   21.732  22.079  1 83.94   ? 72  ASP   B H    1 c 2 
ATOM   2710 H HA   . ASP   B 1 60  ? 5.963   22.414  20.533  1 98.333  ? 72  ASP   B HA   1 c 2 
ATOM   2711 H HB2  . ASP   B 1 60  ? 4.175   20.258  20.11   1 92.09   ? 72  ASP   B HB2  1 c 2 
ATOM   2712 H HB3  . ASP   B 1 60  ? 5.578   20.407  19.392  1 96.367  ? 72  ASP   B HB3  1 c 2 
ATOM   2713 N N    . ARG   B 1 61  ? 3.224   23.346  19.308  1 101.077 ? 73  ARG   B N    1 ? 2 
ATOM   2714 C CA   . ARG   B 1 61  ? 2.67    24.19   18.255  1 95.192  ? 73  ARG   B CA   1 ? 2 
ATOM   2715 C C    . ARG   B 1 61  ? 2.929   25.669  18.59   1 93.186  ? 73  ARG   B C    1 ? 2 
ATOM   2716 O O    . ARG   B 1 61  ? 2.6     26.551  17.802  1 94.554  ? 73  ARG   B O    1 ? 2 
ATOM   2717 C CB   . ARG   B 1 61  ? 1.208   23.773  18.044  1 84.712  ? 73  ARG   B CB   1 ? 2 
ATOM   2718 H H    . ARG   B 1 61  ? 2.72    23.185  20.052  1 96.866  ? 73  ARG   B H    1 c 2 
ATOM   2719 H HA   . ARG   B 1 61  ? 3.151   23.985  17.414  1 96.202  ? 73  ARG   B HA   1 c 2 
ATOM   2720 H HB2  . ARG   B 1 61  ? 1.236   22.962  17.686  0 30      ? 73  ARG   B HB2  1 c 2 
ATOM   2721 H HB3  . ARG   B 1 61  ? 0.75    24.529  18.56   0 30      ? 73  ARG   B HB3  1 c 2 
ATOM   2722 N N    . ASN   B 1 62  ? 3.555   25.924  19.755  1 87.219  ? 74  ASN   B N    1 ? 2 
ATOM   2723 C CA   . ASN   B 1 62  ? 4.008   27.24   20.195  1 84.691  ? 74  ASN   B CA   1 ? 2 
ATOM   2724 C C    . ASN   B 1 62  ? 2.836   28.216  20.407  1 81.919  ? 74  ASN   B C    1 ? 2 
ATOM   2725 O O    . ASN   B 1 62  ? 3.048   29.426  20.361  1 82.719  ? 74  ASN   B O    1 ? 2 
ATOM   2726 C CB   . ASN   B 1 62  ? 5.154   27.757  19.312  1 83.809  ? 74  ASN   B CB   1 ? 2 
ATOM   2727 H H    . ASN   B 1 62  ? 3.701   25.224  20.321  1 85.989  ? 74  ASN   B H    1 c 2 
ATOM   2728 H HA   . ASN   B 1 62  ? 4.403   27.107  21.086  1 83.623  ? 74  ASN   B HA   1 c 2 
ATOM   2729 H HB2  . ASN   B 1 62  ? 5.975   27.618  19.724  0 30      ? 74  ASN   B HB2  1 c 2 
ATOM   2730 H HB3  . ASN   B 1 62  ? 4.66    28.28   18.607  0 30      ? 74  ASN   B HB3  1 c 2 
ATOM   2731 N N    . GLU   B 1 63  ? 1.621   27.738  20.753  1 77.036  ? 75  GLU   B N    1 ? 2 
ATOM   2732 C CA   . GLU   B 1 63  ? 0.557   28.644  21.191  1 72.848  ? 75  GLU   B CA   1 ? 2 
ATOM   2733 C C    . GLU   B 1 63  ? -0.564  27.838  21.852  1 67.972  ? 75  GLU   B C    1 ? 2 
ATOM   2734 O O    . GLU   B 1 63  ? -0.752  26.646  21.556  1 63.118  ? 75  GLU   B O    1 ? 2 
ATOM   2735 C CB   . GLU   B 1 63  ? 0.093   29.549  20.041  1 74.175  ? 75  GLU   B CB   1 ? 2 
ATOM   2736 H H    . GLU   B 1 63  ? 1.456   26.84   20.721  1 74.509  ? 75  GLU   B H    1 c 2 
ATOM   2737 H HA   . GLU   B 1 63  ? 0.945   29.238  21.881  1 74.341  ? 75  GLU   B HA   1 c 2 
ATOM   2738 H HB2  . GLU   B 1 63  ? 0.745   29.455  19.229  0 30      ? 75  GLU   B HB2  1 c 2 
ATOM   2739 H HB3  . GLU   B 1 63  ? -1.007  29.202  19.791  0 30      ? 75  GLU   B HB3  1 c 2 
ATOM   2740 N N    . PRO   B 1 64  ? -1.328  28.418  22.81   1 67.829  ? 76  PRO   B N    1 ? 2 
ATOM   2741 C CA   . PRO   B 1 64  ? -2.371  27.661  23.502  1 62.442  ? 76  PRO   B CA   1 ? 2 
ATOM   2742 C C    . PRO   B 1 64  ? -3.442  27.169  22.548  1 59.614  ? 76  PRO   B C    1 ? 2 
ATOM   2743 O O    . PRO   B 1 64  ? -3.648  27.74   21.477  1 61.202  ? 76  PRO   B O    1 ? 2 
ATOM   2744 C CB   . PRO   B 1 64  ? -2.982  28.646  24.488  1 65.064  ? 76  PRO   B CB   1 ? 2 
ATOM   2745 C CG   . PRO   B 1 64  ? -1.991  29.783  24.56   1 68.162  ? 76  PRO   B CG   1 ? 2 
ATOM   2746 C CD   . PRO   B 1 64  ? -1.304  29.828  23.226  1 71.08   ? 76  PRO   B CD   1 ? 2 
ATOM   2747 H HA   . PRO   B 1 64  ? -1.971  26.904  23.979  1 61.5    ? 76  PRO   B HA   1 c 2 
ATOM   2748 H HB2  . PRO   B 1 64  ? -3.85   28.964  24.171  1 64.346  ? 76  PRO   B HB2  1 c 2 
ATOM   2749 H HB3  . PRO   B 1 64  ? -3.1    28.232  25.364  1 62.706  ? 76  PRO   B HB3  1 c 2 
ATOM   2750 H HG2  . PRO   B 1 64  ? -2.449  30.629  24.737  1 69.671  ? 76  PRO   B HG2  1 c 2 
ATOM   2751 H HG3  . PRO   B 1 64  ? -1.339  29.626  25.273  1 68.453  ? 76  PRO   B HG3  1 c 2 
ATOM   2752 H HD2  . PRO   B 1 64  ? -1.791  30.387  22.591  1 72.03   ? 76  PRO   B HD2  1 c 2 
ATOM   2753 H HD3  . PRO   B 1 64  ? -0.388  30.153  23.31   1 72.773  ? 76  PRO   B HD3  1 c 2 
ATOM   2754 N N    . PHE   B 1 65  ? -4.099  26.089  22.959  1 58.384  ? 77  PHE   B N    1 ? 2 
ATOM   2755 C CA   . PHE   B 1 65  ? -5.15   25.445  22.188  1 53.671  ? 77  PHE   B CA   1 ? 2 
ATOM   2756 C C    . PHE   B 1 65  ? -6.463  26.098  22.621  1 53.237  ? 77  PHE   B C    1 ? 2 
ATOM   2757 O O    . PHE   B 1 65  ? -6.761  26.225  23.822  1 43.653  ? 77  PHE   B O    1 ? 2 
ATOM   2758 C CB   . PHE   B 1 65  ? -5.082  23.926  22.423  1 53.447  ? 77  PHE   B CB   1 ? 2 
ATOM   2759 C CG   . PHE   B 1 65  ? -6.189  23.198  21.693  1 51.713  ? 77  PHE   B CG   1 ? 2 
ATOM   2760 C CD1  . PHE   B 1 65  ? -6.149  23.077  20.309  1 58.86   ? 77  PHE   B CD1  1 ? 2 
ATOM   2761 C CD2  . PHE   B 1 65  ? -7.32   22.774  22.362  1 51.286  ? 77  PHE   B CD2  1 ? 2 
ATOM   2762 C CE1  . PHE   B 1 65  ? -7.194  22.477  19.615  1 60.435  ? 77  PHE   B CE1  1 ? 2 
ATOM   2763 C CE2  . PHE   B 1 65  ? -8.373  22.2    21.662  1 52.059  ? 77  PHE   B CE2  1 ? 2 
ATOM   2764 C CZ   . PHE   B 1 65  ? -8.31   22.06   20.295  1 55.081  ? 77  PHE   B CZ   1 ? 2 
ATOM   2765 H H    . PHE   B 1 65  ? -3.883  25.732  23.772  1 56.038  ? 77  PHE   B H    1 c 2 
ATOM   2766 H HA   . PHE   B 1 65  ? -4.998  25.627  21.223  1 56.221  ? 77  PHE   B HA   1 c 2 
ATOM   2767 H HB2  . PHE   B 1 65  ? -4.212  23.593  22.109  1 53.451  ? 77  PHE   B HB2  1 c 2 
ATOM   2768 H HB3  . PHE   B 1 65  ? -5.158  23.749  23.387  1 51.577  ? 77  PHE   B HB3  1 c 2 
ATOM   2769 H HD1  . PHE   B 1 65  ? -5.391  23.383  19.837  1 59.658  ? 77  PHE   B HD1  1 c 2 
ATOM   2770 H HD2  . PHE   B 1 65  ? -7.383  22.889  23.297  1 50.572  ? 77  PHE   B HD2  1 c 2 
ATOM   2771 H HE1  . PHE   B 1 65  ? -7.145  22.379  18.678  1 60.105  ? 77  PHE   B HE1  1 c 2 
ATOM   2772 H HE2  . PHE   B 1 65  ? -9.13   21.887  22.13   1 50.761  ? 77  PHE   B HE2  1 c 2 
ATOM   2773 H HZ   . PHE   B 1 65  ? -9.013  21.633  19.832  1 54.902  ? 77  PHE   B HZ   1 c 2 
ATOM   2774 N N    . VAL   B 1 66  ? -7.206  26.57   21.613  1 55.797  ? 78  VAL   B N    1 ? 2 
ATOM   2775 C CA   . VAL   B 1 66  ? -8.418  27.331  21.859  1 59.636  ? 78  VAL   B CA   1 ? 2 
ATOM   2776 C C    . VAL   B 1 66  ? -9.587  26.581  21.24   1 52.875  ? 78  VAL   B C    1 ? 2 
ATOM   2777 O O    . VAL   B 1 66  ? -9.457  26.093  20.129  1 52.198  ? 78  VAL   B O    1 ? 2 
ATOM   2778 C CB   . VAL   B 1 66  ? -8.281  28.74   21.26   1 67.487  ? 78  VAL   B CB   1 ? 2 
ATOM   2779 C CG1  . VAL   B 1 66  ? -9.552  29.565  21.47   1 71.543  ? 78  VAL   B CG1  1 ? 2 
ATOM   2780 C CG2  . VAL   B 1 66  ? -7.073  29.47   21.845  1 68.231  ? 78  VAL   B CG2  1 ? 2 
ATOM   2781 H H    . VAL   B 1 66  ? -6.954  26.41   20.749  1 57.064  ? 78  VAL   B H    1 c 2 
ATOM   2782 H HA   . VAL   B 1 66  ? -8.557  27.407  22.819  1 57.525  ? 78  VAL   B HA   1 c 2 
ATOM   2783 H HB   . VAL   B 1 66  ? -8.138  28.634  20.29   1 68.043  ? 78  VAL   B HB   1 c 2 
ATOM   2784 H HG11 . VAL   B 1 66  ? -9.79   29.561  22.413  1 69.483  ? 78  VAL   B HG11 1 c 2 
ATOM   2785 H HG12 . VAL   B 1 66  ? -10.28  29.183  20.952  1 69.998  ? 78  VAL   B HG12 1 c 2 
ATOM   2786 H HG13 . VAL   B 1 66  ? -9.397  30.48   21.18   1 73.103  ? 78  VAL   B HG13 1 c 2 
ATOM   2787 H HG21 . VAL   B 1 66  ? -7.108  30.41   21.597  1 70.951  ? 78  VAL   B HG21 1 c 2 
ATOM   2788 H HG22 . VAL   B 1 66  ? -6.255  29.076  21.497  1 68.599  ? 78  VAL   B HG22 1 c 2 
ATOM   2789 H HG23 . VAL   B 1 66  ? -7.083  29.39   22.813  1 67.278  ? 78  VAL   B HG23 1 c 2 
ATOM   2790 N N    . PHE   B 1 67  ? -10.722 26.521  21.946  1 53.812  ? 79  PHE   B N    1 ? 2 
ATOM   2791 C CA   . PHE   B 1 67  ? -11.944 25.939  21.397  1 48.137  ? 79  PHE   B CA   1 ? 2 
ATOM   2792 C C    . PHE   B 1 67  ? -13.166 26.446  22.166  1 51.567  ? 79  PHE   B C    1 ? 2 
ATOM   2793 O O    . PHE   B 1 67  ? -13.037 27.028  23.246  1 50.154  ? 79  PHE   B O    1 ? 2 
ATOM   2794 C CB   . PHE   B 1 67  ? -11.836 24.422  21.528  1 44.633  ? 79  PHE   B CB   1 ? 2 
ATOM   2795 C CG   . PHE   B 1 67  ? -12.021 23.877  22.942  1 41.505  ? 79  PHE   B CG   1 ? 2 
ATOM   2796 C CD1  . PHE   B 1 67  ? -10.982 23.899  23.862  1 42.25   ? 79  PHE   B CD1  1 ? 2 
ATOM   2797 C CD2  . PHE   B 1 67  ? -13.209 23.238  23.333  1 39.337  ? 79  PHE   B CD2  1 ? 2 
ATOM   2798 C CE1  . PHE   B 1 67  ? -11.124 23.365  25.13   1 35.485  ? 79  PHE   B CE1  1 ? 2 
ATOM   2799 C CE2  . PHE   B 1 67  ? -13.332 22.709  24.61   1 37.947  ? 79  PHE   B CE2  1 ? 2 
ATOM   2800 C CZ   . PHE   B 1 67  ? -12.286 22.781  25.5    1 35.578  ? 79  PHE   B CZ   1 ? 2 
ATOM   2801 H H    . PHE   B 1 67  ? -10.737 26.851  22.799  1 51.972  ? 79  PHE   B H    1 c 2 
ATOM   2802 H HA   . PHE   B 1 67  ? -12.028 26.186  20.437  1 51.048  ? 79  PHE   B HA   1 c 2 
ATOM   2803 H HB2  . PHE   B 1 67  ? -12.513 24.013  20.943  1 44.464  ? 79  PHE   B HB2  1 c 2 
ATOM   2804 H HB3  . PHE   B 1 67  ? -10.955 24.143  21.196  1 44.69   ? 79  PHE   B HB3  1 c 2 
ATOM   2805 H HD1  . PHE   B 1 67  ? -10.164 24.304  23.62   1 41.78   ? 79  PHE   B HD1  1 c 2 
ATOM   2806 H HD2  . PHE   B 1 67  ? -13.933 23.184  22.729  1 40.09   ? 79  PHE   B HD2  1 c 2 
ATOM   2807 H HE1  . PHE   B 1 67  ? -10.409 23.417  25.743  1 36.844  ? 79  PHE   B HE1  1 c 2 
ATOM   2808 H HE2  . PHE   B 1 67  ? -14.143 22.303  24.871  1 36.665  ? 79  PHE   B HE2  1 c 2 
ATOM   2809 H HZ   . PHE   B 1 67  ? -12.38  22.424  26.368  1 34.723  ? 79  PHE   B HZ   1 c 2 
ATOM   2810 N N    . SER   B 1 68  ? -14.36  26.199  21.605  1 51.695  ? 80  SER   B N    1 ? 2 
ATOM   2811 C CA   . SER   B 1 68  ? -15.6   26.615  22.243  1 55.113  ? 80  SER   B CA   1 ? 2 
ATOM   2812 C C    . SER   B 1 68  ? -16.169 25.393  22.952  1 48.127  ? 80  SER   B C    1 ? 2 
ATOM   2813 O O    . SER   B 1 68  ? -16.263 24.327  22.35   1 49.694  ? 80  SER   B O    1 ? 2 
ATOM   2814 C CB   . SER   B 1 68  ? -16.597 27.211  21.25   1 60.463  ? 80  SER   B CB   1 ? 2 
ATOM   2815 O OG   . SER   B 1 68  ? -16.089 28.405  20.66   1 70.064  ? 80  SER   B OG   1 ? 2 
ATOM   2816 H H    . SER   B 1 68  ? -14.399 25.76   20.805  1 52.423  ? 80  SER   B H    1 c 2 
ATOM   2817 H HA   . SER   B 1 68  ? -15.388 27.302  22.923  1 54.763  ? 80  SER   B HA   1 c 2 
ATOM   2818 H HB2  . SER   B 1 68  ? -16.783 26.558  20.55   1 60.867  ? 80  SER   B HB2  1 c 2 
ATOM   2819 H HB3  . SER   B 1 68  ? -17.433 27.409  21.712  1 61.577  ? 80  SER   B HB3  1 c 2 
ATOM   2820 H HG   . SER   B 1 68  ? -16.707 28.726  20.182  0 30      ? 80  SER   B HG   1 c 2 
ATOM   2821 N N    . LEU   B 1 69  ? -16.54  25.553  24.216  1 46.05   ? 81  LEU   B N    1 ? 2 
ATOM   2822 C CA   . LEU   B 1 69  ? -16.87  24.402  25.025  1 42.535  ? 81  LEU   B CA   1 ? 2 
ATOM   2823 C C    . LEU   B 1 69  ? -18.281 23.93   24.668  1 47.436  ? 81  LEU   B C    1 ? 2 
ATOM   2824 O O    . LEU   B 1 69  ? -19.198 24.727  24.469  1 43.11   ? 81  LEU   B O    1 ? 2 
ATOM   2825 C CB   . LEU   B 1 69  ? -16.776 24.817  26.488  1 47.356  ? 81  LEU   B CB   1 ? 2 
ATOM   2826 C CG   . LEU   B 1 69  ? -17.083 23.751  27.544  1 45.475  ? 81  LEU   B CG   1 ? 2 
ATOM   2827 C CD1  . LEU   B 1 69  ? -16.001 22.75   27.68   1 45.666  ? 81  LEU   B CD1  1 ? 2 
ATOM   2828 C CD2  . LEU   B 1 69  ? -17.273 24.41   28.89   1 46.765  ? 81  LEU   B CD2  1 ? 2 
ATOM   2829 H H    . LEU   B 1 69  ? -16.593 26.39   24.58   1 47.579  ? 81  LEU   B H    1 c 2 
ATOM   2830 H HA   . LEU   B 1 69  ? -16.216 23.68   24.841  1 43.129  ? 81  LEU   B HA   1 c 2 
ATOM   2831 H HB2  . LEU   B 1 69  ? -15.865 25.156  26.65   1 46.325  ? 81  LEU   B HB2  1 c 2 
ATOM   2832 H HB3  . LEU   B 1 69  ? -17.391 25.574  26.628  1 47.737  ? 81  LEU   B HB3  1 c 2 
ATOM   2833 H HG   . LEU   B 1 69  ? -17.923 23.285  27.296  1 45.741  ? 81  LEU   B HG   1 c 2 
ATOM   2834 H HD11 . LEU   B 1 69  ? -15.881 22.284  26.836  1 44.497  ? 81  LEU   B HD11 1 c 2 
ATOM   2835 H HD12 . LEU   B 1 69  ? -16.235 22.109  28.372  1 43.877  ? 81  LEU   B HD12 1 c 2 
ATOM   2836 H HD13 . LEU   B 1 69  ? -15.173 23.198  27.922  1 45.297  ? 81  LEU   B HD13 1 c 2 
ATOM   2837 H HD21 . LEU   B 1 69  ? -17.995 25.058  28.836  1 48.114  ? 81  LEU   B HD21 1 c 2 
ATOM   2838 H HD22 . LEU   B 1 69  ? -16.452 24.862  29.149  1 46.959  ? 81  LEU   B HD22 1 c 2 
ATOM   2839 H HD23 . LEU   B 1 69  ? -17.493 23.736  29.554  1 45.5    ? 81  LEU   B HD23 1 c 2 
ATOM   2840 N N    . GLY   B 1 70  ? -18.422 22.611  24.63   1 45.343  ? 82  GLY   B N    1 ? 2 
ATOM   2841 C CA   . GLY   B 1 70  ? -19.687 21.933  24.493  1 48.822  ? 82  GLY   B CA   1 ? 2 
ATOM   2842 C C    . GLY   B 1 70  ? -20.275 22.092  23.098  1 54.997  ? 82  GLY   B C    1 ? 2 
ATOM   2843 O O    . GLY   B 1 70  ? -21.49  21.977  22.956  1 59.22   ? 82  GLY   B O    1 ? 2 
ATOM   2844 H H    . GLY   B 1 70  ? -17.669 22.098  24.696  1 44.822  ? 82  GLY   B H    1 c 2 
ATOM   2845 H HA2  . GLY   B 1 70  ? -19.563 20.977  24.689  1 47.283  ? 82  GLY   B HA2  1 c 2 
ATOM   2846 H HA3  . GLY   B 1 70  ? -20.318 22.298  25.156  1 49.478  ? 82  GLY   B HA3  1 c 2 
ATOM   2847 N N    . LYS   B 1 71  ? -19.422 22.419  22.11   1 52.8    ? 83  LYS   B N    1 ? 2 
ATOM   2848 C CA   . LYS   B 1 71  ? -19.824 22.635  20.735  1 56.388  ? 83  LYS   B CA   1 ? 2 
ATOM   2849 C C    . LYS   B 1 71  ? -19.235 21.493  19.897  1 60.781  ? 83  LYS   B C    1 ? 2 
ATOM   2850 O O    . LYS   B 1 71  ? -19.145 21.598  18.671  1 67.722  ? 83  LYS   B O    1 ? 2 
ATOM   2851 C CB   . LYS   B 1 71  ? -19.451 24.078  20.336  1 52.234  ? 83  LYS   B CB   1 ? 2 
ATOM   2852 H H    . LYS   B 1 71  ? -18.534 22.497  22.312  1 53.087  ? 83  LYS   B H    1 c 2 
ATOM   2853 H HA   . LYS   B 1 71  ? -20.811 22.565  20.689  1 56.5    ? 83  LYS   B HA   1 c 2 
ATOM   2854 H HB2  . LYS   B 1 71  ? -18.506 24.088  20.269  0 30      ? 83  LYS   B HB2  1 c 2 
ATOM   2855 H HB3  . LYS   B 1 71  ? -20.307 24.526  20.129  0 30      ? 83  LYS   B HB3  1 c 2 
ATOM   2856 N N    . GLY   B 1 72  ? -18.822 20.404  20.571  1 60.878  ? 84  GLY   B N    1 ? 2 
ATOM   2857 C CA   . GLY   B 1 72  ? -18.192 19.262  19.924  1 61.587  ? 84  GLY   B CA   1 ? 2 
ATOM   2858 C C    . GLY   B 1 72  ? -17.057 19.633  18.953  1 56.48   ? 84  GLY   B C    1 ? 2 
ATOM   2859 O O    . GLY   B 1 72  ? -16.92  19.006  17.916  1 49.632  ? 84  GLY   B O    1 ? 2 
ATOM   2860 H H    . GLY   B 1 72  ? -18.949 20.368  21.475  1 59.435  ? 84  GLY   B H    1 c 2 
ATOM   2861 H HA2  . GLY   B 1 72  ? -17.836 18.663  20.621  1 58.056  ? 84  GLY   B HA2  1 c 2 
ATOM   2862 H HA3  . GLY   B 1 72  ? -18.884 18.762  19.43   1 60.172  ? 84  GLY   B HA3  1 c 2 
ATOM   2863 N N    . GLN   B 1 73  ? -16.195 20.597  19.313  1 49.842  ? 85  GLN   B N    1 ? 2 
ATOM   2864 C CA   . GLN   B 1 73  ? -14.964 20.836  18.568  1 49.971  ? 85  GLN   B CA   1 ? 2 
ATOM   2865 C C    . GLN   B 1 73  ? -13.848 19.928  19.093  1 48.675  ? 85  GLN   B C    1 ? 2 
ATOM   2866 O O    . GLN   B 1 73  ? -12.797 19.812  18.455  1 44.373  ? 85  GLN   B O    1 ? 2 
ATOM   2867 C CB   . GLN   B 1 73  ? -14.559 22.306  18.686  1 53.871  ? 85  GLN   B CB   1 ? 2 
ATOM   2868 C CG   . GLN   B 1 73  ? -15.596 23.247  18.092  1 54.91   ? 85  GLN   B CG   1 ? 2 
ATOM   2869 C CD   . GLN   B 1 73  ? -15.378 24.697  18.461  1 60.54   ? 85  GLN   B CD   1 ? 2 
ATOM   2870 O OE1  . GLN   B 1 73  ? -14.363 25.107  19.047  1 54.441  ? 85  GLN   B OE1  1 ? 2 
ATOM   2871 N NE2  . GLN   B 1 73  ? -16.354 25.491  18.06   1 64.276  ? 85  GLN   B NE2  1 ? 2 
ATOM   2872 H H    . GLN   B 1 73  ? -16.378 21.116  20.043  1 51.189  ? 85  GLN   B H    1 c 2 
ATOM   2873 H HA   . GLN   B 1 73  ? -15.125 20.625  17.613  1 51.757  ? 85  GLN   B HA   1 c 2 
ATOM   2874 H HB2  . GLN   B 1 73  ? -14.43  22.526  19.632  1 52.138  ? 85  GLN   B HB2  1 c 2 
ATOM   2875 H HB3  . GLN   B 1 73  ? -13.704 22.44   18.226  1 53.812  ? 85  GLN   B HB3  1 c 2 
ATOM   2876 H HG2  . GLN   B 1 73  ? -15.581 23.167  17.114  1 57.401  ? 85  GLN   B HG2  1 c 2 
ATOM   2877 H HG3  . GLN   B 1 73  ? -16.489 22.979  18.398  1 55.524  ? 85  GLN   B HG3  1 c 2 
ATOM   2878 H HE21 . GLN   B 1 73  ? -16.301 26.364  18.208  1 65.2    ? 85  GLN   B HE21 1 c 2 
ATOM   2879 H HE22 . GLN   B 1 73  ? -17.062 25.154  17.642  1 64.043  ? 85  GLN   B HE22 1 c 2 
ATOM   2880 N N    . VAL   B 1 74  ? -14.1   19.272  20.241  1 41.08   ? 86  VAL   B N    1 ? 2 
ATOM   2881 C CA   . VAL   B 1 74  ? -13.15  18.372  20.867  1 40.948  ? 86  VAL   B CA   1 ? 2 
ATOM   2882 C C    . VAL   B 1 74  ? -13.872 17.083  21.214  1 36.412  ? 86  VAL   B C    1 ? 2 
ATOM   2883 O O    . VAL   B 1 74  ? -15.07  17.07   21.128  1 32.45   ? 86  VAL   B O    1 ? 2 
ATOM   2884 C CB   . VAL   B 1 74  ? -12.552 19.003  22.131  1 40.987  ? 86  VAL   B CB   1 ? 2 
ATOM   2885 C CG1  . VAL   B 1 74  ? -11.556 20.095  21.737  1 42.758  ? 86  VAL   B CG1  1 ? 2 
ATOM   2886 C CG2  . VAL   B 1 74  ? -13.663 19.47   23.09   1 37.876  ? 86  VAL   B CG2  1 ? 2 
ATOM   2887 H H    . VAL   B 1 74  ? -14.907 19.396  20.65   1 42.547  ? 86  VAL   B H    1 c 2 
ATOM   2888 H HA   . VAL   B 1 74  ? -12.431 18.174  20.237  1 40.75   ? 86  VAL   B HA   1 c 2 
ATOM   2889 H HB   . VAL   B 1 74  ? -12.043 18.296  22.593  1 39.151  ? 86  VAL   B HB   1 c 2 
ATOM   2890 H HG11 . VAL   B 1 74  ? -12.015 20.787  21.231  1 44.091  ? 86  VAL   B HG11 1 c 2 
ATOM   2891 H HG12 . VAL   B 1 74  ? -10.85  19.71   21.19   1 43.04   ? 86  VAL   B HG12 1 c 2 
ATOM   2892 H HG13 . VAL   B 1 74  ? -11.167 20.485  22.538  1 42.582  ? 86  VAL   B HG13 1 c 2 
ATOM   2893 H HG21 . VAL   B 1 74  ? -13.263 19.803  23.911  1 38.376  ? 86  VAL   B HG21 1 c 2 
ATOM   2894 H HG22 . VAL   B 1 74  ? -14.251 18.725  23.298  1 37.7    ? 86  VAL   B HG22 1 c 2 
ATOM   2895 H HG23 . VAL   B 1 74  ? -14.177 20.181  22.672  1 39.901  ? 86  VAL   B HG23 1 c 2 
ATOM   2896 N N    . ILE   B 1 75  ? -13.145 16.053  21.657  1 32.023  ? 87  ILE   B N    1 ? 2 
ATOM   2897 C CA   . ILE   B 1 75  ? -13.795 14.825  22.102  1 32.026  ? 87  ILE   B CA   1 ? 2 
ATOM   2898 C C    . ILE   B 1 75  ? -14.717 15.114  23.28   1 31.863  ? 87  ILE   B C    1 ? 2 
ATOM   2899 O O    . ILE   B 1 75  ? -14.495 16.077  24.021  1 31.013  ? 87  ILE   B O    1 ? 2 
ATOM   2900 C CB   . ILE   B 1 75  ? -12.758 13.754  22.446  1 30.509  ? 87  ILE   B CB   1 ? 2 
ATOM   2901 C CG1  . ILE   B 1 75  ? -11.737 14.246  23.496  1 29.076  ? 87  ILE   B CG1  1 ? 2 
ATOM   2902 C CG2  . ILE   B 1 75  ? -12.062 13.207  21.165  1 35.097  ? 87  ILE   B CG2  1 ? 2 
ATOM   2903 C CD1  . ILE   B 1 75  ? -10.725 13.198  23.873  1 28.036  ? 87  ILE   B CD1  1 ? 2 
ATOM   2904 H H    . ILE   B 1 75  ? -12.234 16.109  21.664  1 33.166  ? 87  ILE   B H    1 c 2 
ATOM   2905 H HA   . ILE   B 1 75  ? -14.341 14.489  21.363  1 32.276  ? 87  ILE   B HA   1 c 2 
ATOM   2906 H HB   . ILE   B 1 75  ? -13.243 13.009  22.85   1 30.347  ? 87  ILE   B HB   1 c 2 
ATOM   2907 H HG12 . ILE   B 1 75  ? -11.264 15.026  23.142  1 30.029  ? 87  ILE   B HG12 1 c 2 
ATOM   2908 H HG13 . ILE   B 1 75  ? -12.218 14.524  24.301  1 28.708  ? 87  ILE   B HG13 1 c 2 
ATOM   2909 H HG21 . ILE   B 1 75  ? -11.545 12.414  21.386  1 33.512  ? 87  ILE   B HG21 1 c 2 
ATOM   2910 H HG22 . ILE   B 1 75  ? -11.471 13.886  20.8    1 34.836  ? 87  ILE   B HG22 1 c 2 
ATOM   2911 H HG23 . ILE   B 1 75  ? -12.735 12.977  20.502  1 34.465  ? 87  ILE   B HG23 1 c 2 
ATOM   2912 H HD11 . ILE   B 1 75  ? -11.181 12.358  24.069  1 27.614  ? 87  ILE   B HD11 1 c 2 
ATOM   2913 H HD12 . ILE   B 1 75  ? -10.233 13.491  24.664  1 28.002  ? 87  ILE   B HD12 1 c 2 
ATOM   2914 H HD13 . ILE   B 1 75  ? -10.099 13.062  23.136  1 28.938  ? 87  ILE   B HD13 1 c 2 
ATOM   2915 N N    . LYS   B 1 76  ? -15.741 14.252  23.464  1 28.847  ? 88  LYS   B N    1 ? 2 
ATOM   2916 C CA   . LYS   B 1 76  ? -16.709 14.362  24.548  1 29.591  ? 88  LYS   B CA   1 ? 2 
ATOM   2917 C C    . LYS   B 1 76  ? -16.026 14.509  25.919  1 28.157  ? 88  LYS   B C    1 ? 2 
ATOM   2918 O O    . LYS   B 1 76  ? -16.473 15.305  26.754  1 29.377  ? 88  LYS   B O    1 ? 2 
ATOM   2919 C CB   . LYS   B 1 76  ? -17.757 13.232  24.394  1 29.662  ? 88  LYS   B CB   1 ? 2 
ATOM   2920 H H    . LYS   B 1 76  ? -15.831 13.559  22.874  1 29.795  ? 88  LYS   B H    1 c 2 
ATOM   2921 H HA   . LYS   B 1 76  ? -17.211 15.202  24.396  1 30.121  ? 88  LYS   B HA   1 c 2 
ATOM   2922 H HB2  . LYS   B 1 76  ? -17.253 12.386  24.403  0 30      ? 88  LYS   B HB2  1 c 2 
ATOM   2923 H HB3  . LYS   B 1 76  ? -18.633 13.628  24.489  0 30      ? 88  LYS   B HB3  1 c 2 
ATOM   2924 N N    . ALA   B 1 77  ? -14.95  13.77   26.181  1 27.046  ? 89  ALA   B N    1 ? 2 
ATOM   2925 C CA   . ALA   B 1 77  ? -14.256 13.838  27.471  1 27.18   ? 89  ALA   B CA   1 ? 2 
ATOM   2926 C C    . ALA   B 1 77  ? -13.686 15.237  27.776  1 25.986  ? 89  ALA   B C    1 ? 2 
ATOM   2927 O O    . ALA   B 1 77  ? -13.618 15.604  28.924  1 28.982  ? 89  ALA   B O    1 ? 2 
ATOM   2928 C CB   . ALA   B 1 77  ? -13.147 12.844  27.559  1 25.806  ? 89  ALA   B CB   1 ? 2 
ATOM   2929 H H    . ALA   B 1 77  ? -14.634 13.198  25.542  1 27.235  ? 89  ALA   B H    1 c 2 
ATOM   2930 H HA   . ALA   B 1 77  ? -14.923 13.625  28.18   1 26.396  ? 89  ALA   B HA   1 c 2 
ATOM   2931 H HB1  . ALA   B 1 77  ? -13.507 11.944  27.481  1 25.826  ? 89  ALA   B HB1  1 c 2 
ATOM   2932 H HB2  . ALA   B 1 77  ? -12.512 12.999  26.84   1 26.409  ? 89  ALA   B HB2  1 c 2 
ATOM   2933 H HB3  . ALA   B 1 77  ? -12.694 12.934  28.414  1 25.986  ? 89  ALA   B HB3  1 c 2 
ATOM   2934 N N    . TRP   B 1 78  ? -13.353 16.026  26.768  1 27.92   ? 90  TRP   B N    1 ? 2 
ATOM   2935 C CA   . TRP   B 1 78  ? -12.835 17.355  26.988  1 29.958  ? 90  TRP   B CA   1 ? 2 
ATOM   2936 C C    . TRP   B 1 78  ? -13.984 18.304  27.309  1 32.15   ? 90  TRP   B C    1 ? 2 
ATOM   2937 O O    . TRP   B 1 78  ? -13.827 19.167  28.174  1 33.805  ? 90  TRP   B O    1 ? 2 
ATOM   2938 C CB   . TRP   B 1 78  ? -11.99  17.817  25.793  1 33.662  ? 90  TRP   B CB   1 ? 2 
ATOM   2939 C CG   . TRP   B 1 78  ? -10.518 17.494  25.916  1 32.653  ? 90  TRP   B CG   1 ? 2 
ATOM   2940 C CD1  . TRP   B 1 78  ? -9.863  16.324  26.246  1 33.877  ? 90  TRP   B CD1  1 ? 2 
ATOM   2941 C CD2  . TRP   B 1 78  ? -9.484  18.488  25.73   1 34.235  ? 90  TRP   B CD2  1 ? 2 
ATOM   2942 N NE1  . TRP   B 1 78  ? -8.487  16.505  26.187  1 36.058  ? 90  TRP   B NE1  1 ? 2 
ATOM   2943 C CE2  . TRP   B 1 78  ? -8.231  17.833  25.923  1 36.611  ? 90  TRP   B CE2  1 ? 2 
ATOM   2944 C CE3  . TRP   B 1 78  ? -9.524  19.848  25.41   1 37.078  ? 90  TRP   B CE3  1 ? 2 
ATOM   2945 C CZ2  . TRP   B 1 78  ? -7.019  18.509  25.786  1 36.243  ? 90  TRP   B CZ2  1 ? 2 
ATOM   2946 C CZ3  . TRP   B 1 78  ? -8.318  20.512  25.267  1 44.757  ? 90  TRP   B CZ3  1 ? 2 
ATOM   2947 C CH2  . TRP   B 1 78  ? -7.085  19.846  25.451  1 39.835  ? 90  TRP   B CH2  1 ? 2 
ATOM   2948 H H    . TRP   B 1 78  ? -13.446 15.725  25.91   1 28.082  ? 90  TRP   B H    1 c 2 
ATOM   2949 H HA   . TRP   B 1 78  ? -12.236 17.321  27.783  1 30.249  ? 90  TRP   B HA   1 c 2 
ATOM   2950 H HB2  . TRP   B 1 78  ? -12.341 17.396  24.98   1 32.768  ? 90  TRP   B HB2  1 c 2 
ATOM   2951 H HB3  . TRP   B 1 78  ? -12.095 18.787  25.695  1 33.81   ? 90  TRP   B HB3  1 c 2 
ATOM   2952 H HD1  . TRP   B 1 78  ? -10.283 15.492  26.396  1 32.859  ? 90  TRP   B HD1  1 c 2 
ATOM   2953 H HE1  . TRP   B 1 78  ? -7.892  15.904  26.372  1 35.275  ? 90  TRP   B HE1  1 c 2 
ATOM   2954 H HE3  . TRP   B 1 78  ? -10.344 20.292  25.278  1 38.363  ? 90  TRP   B HE3  1 c 2 
ATOM   2955 H HZ2  . TRP   B 1 78  ? -6.194  18.067  25.898  1 37.342  ? 90  TRP   B HZ2  1 c 2 
ATOM   2956 H HZ3  . TRP   B 1 78  ? -8.32   21.432  25.063  1 43.238  ? 90  TRP   B HZ3  1 c 2 
ATOM   2957 H HH2  . TRP   B 1 78  ? -6.285  20.335  25.37   1 41.537  ? 90  TRP   B HH2  1 c 2 
ATOM   2958 N N    . ASP   B 1 79  ? -15.125 18.143  26.622  1 28.784  ? 91  ASP   B N    1 ? 2 
ATOM   2959 C CA   . ASP   B 1 79  ? -16.28  18.974  26.872  1 32.582  ? 91  ASP   B CA   1 ? 2 
ATOM   2960 C C    . ASP   B 1 79  ? -16.656 18.735  28.326  1 33.554  ? 91  ASP   B C    1 ? 2 
ATOM   2961 O O    . ASP   B 1 79  ? -16.978 19.676  29.032  1 34.24   ? 91  ASP   B O    1 ? 2 
ATOM   2962 C CB   . ASP   B 1 79  ? -17.41  18.743  25.877  1 35.935  ? 91  ASP   B CB   1 ? 2 
ATOM   2963 C CG   . ASP   B 1 79  ? -17.275 19.529  24.587  1 40.327  ? 91  ASP   B CG   1 ? 2 
ATOM   2964 O OD1  . ASP   B 1 79  ? -16.552 20.548  24.586  1 39.768  ? 91  ASP   B OD1  1 ? 2 
ATOM   2965 O OD2  . ASP   B 1 79  ? -17.916 19.135  23.619  1 40.645  ? 91  ASP   B OD2  1 ? 2 
ATOM   2966 H H    . ASP   B 1 79  ? -15.176 17.5    25.975  1 29.951  ? 91  ASP   B H    1 c 2 
ATOM   2967 H HA   . ASP   B 1 79  ? -16     19.912  26.785  1 33.85   ? 91  ASP   B HA   1 c 2 
ATOM   2968 H HB2  . ASP   B 1 79  ? -17.453 17.79   25.655  1 35.065  ? 91  ASP   B HB2  1 c 2 
ATOM   2969 H HB3  . ASP   B 1 79  ? -18.259 18.993  26.299  1 36.443  ? 91  ASP   B HB3  1 c 2 
ATOM   2970 N N    . ILE   B 1 80  ? -16.657 17.475  28.74   1 27.37   ? 92  ILE   B N    1 ? 2 
ATOM   2971 C CA   . ILE   B 1 80  ? -17.035 17.099  30.086  1 29.006  ? 92  ILE   B CA   1 ? 2 
ATOM   2972 C C    . ILE   B 1 80  ? -15.979 17.585  31.091  1 30.974  ? 92  ILE   B C    1 ? 2 
ATOM   2973 O O    . ILE   B 1 80  ? -16.323 18.226  32.08   1 30.284  ? 92  ILE   B O    1 ? 2 
ATOM   2974 C CB   . ILE   B 1 80  ? -17.272 15.568  30.204  1 29.091  ? 92  ILE   B CB   1 ? 2 
ATOM   2975 C CG1  . ILE   B 1 80  ? -18.586 15.151  29.526  1 29.627  ? 92  ILE   B CG1  1 ? 2 
ATOM   2976 C CG2  . ILE   B 1 80  ? -17.283 15.097  31.675  1 31.638  ? 92  ILE   B CG2  1 ? 2 
ATOM   2977 C CD1  . ILE   B 1 80  ? -18.644 13.67   29.169  1 31.157  ? 92  ILE   B CD1  1 ? 2 
ATOM   2978 H H    . ILE   B 1 80  ? -16.419 16.815  28.155  1 28.359  ? 92  ILE   B H    1 c 2 
ATOM   2979 H HA   . ILE   B 1 80  ? -17.878 17.547  30.296  1 29.996  ? 92  ILE   B HA   1 c 2 
ATOM   2980 H HB   . ILE   B 1 80  ? -16.538 15.112  29.744  1 28.735  ? 92  ILE   B HB   1 c 2 
ATOM   2981 H HG12 . ILE   B 1 80  ? -19.33  15.361  30.127  1 30.758  ? 92  ILE   B HG12 1 c 2 
ATOM   2982 H HG13 . ILE   B 1 80  ? -18.701 15.678  28.709  1 30.564  ? 92  ILE   B HG13 1 c 2 
ATOM   2983 H HG21 . ILE   B 1 80  ? -17.613 14.185  31.724  1 30.516  ? 92  ILE   B HG21 1 c 2 
ATOM   2984 H HG22 . ILE   B 1 80  ? -17.862 15.677  32.198  1 31.618  ? 92  ILE   B HG22 1 c 2 
ATOM   2985 H HG23 . ILE   B 1 80  ? -16.381 15.13   32.037  1 30.548  ? 92  ILE   B HG23 1 c 2 
ATOM   2986 H HD11 . ILE   B 1 80  ? -17.88  13.44   28.607  1 29.962  ? 92  ILE   B HD11 1 c 2 
ATOM   2987 H HD12 . ILE   B 1 80  ? -19.47  13.486  28.683  1 30.986  ? 92  ILE   B HD12 1 c 2 
ATOM   2988 H HD13 . ILE   B 1 80  ? -18.621 13.132  29.982  1 30.222  ? 92  ILE   B HD13 1 c 2 
ATOM   2989 N N    . GLY   B 1 81  ? -14.705 17.291  30.818  1 27.398  ? 93  GLY   B N    1 ? 2 
ATOM   2990 C CA   . GLY   B 1 81  ? -13.63  17.538  31.774  1 31.238  ? 93  GLY   B CA   1 ? 2 
ATOM   2991 C C    . GLY   B 1 81  ? -13.27  18.997  31.954  1 28.582  ? 93  GLY   B C    1 ? 2 
ATOM   2992 O O    . GLY   B 1 81  ? -13.138 19.443  33.066  1 32.121  ? 93  GLY   B O    1 ? 2 
ATOM   2993 H H    . GLY   B 1 81  ? -14.495 16.922  30.009  1 28.461  ? 93  GLY   B H    1 c 2 
ATOM   2994 H HA2  . GLY   B 1 81  ? -13.897 17.166  32.646  1 29.346  ? 93  GLY   B HA2  1 c 2 
ATOM   2995 H HA3  . GLY   B 1 81  ? -12.83  17.046  31.476  1 28.929  ? 93  GLY   B HA3  1 c 2 
ATOM   2996 N N    . VAL   B 1 82  ? -13.093 19.745  30.85   1 33.338  ? 94  VAL   B N    1 ? 2 
ATOM   2997 C CA   . VAL   B 1 82  ? -12.714 21.137  30.946  1 32.13   ? 94  VAL   B CA   1 ? 2 
ATOM   2998 C C    . VAL   B 1 82  ? -13.853 21.912  31.618  1 35.945  ? 94  VAL   B C    1 ? 2 
ATOM   2999 O O    . VAL   B 1 82  ? -13.592 22.873  32.333  1 38.117  ? 94  VAL   B O    1 ? 2 
ATOM   3000 C CB   . VAL   B 1 82  ? -12.299 21.693  29.578  1 35.531  ? 94  VAL   B CB   1 ? 2 
ATOM   3001 C CG1  . VAL   B 1 82  ? -11.981 23.201  29.651  1 40.636  ? 94  VAL   B CG1  1 ? 2 
ATOM   3002 C CG2  . VAL   B 1 82  ? -11.073 20.925  29.052  1 33.942  ? 94  VAL   B CG2  1 ? 2 
ATOM   3003 H H    . VAL   B 1 82  ? -13.221 19.373  30.025  1 31.236  ? 94  VAL   B H    1 c 2 
ATOM   3004 H HA   . VAL   B 1 82  ? -11.935 21.19   31.532  1 33.804  ? 94  VAL   B HA   1 c 2 
ATOM   3005 H HB   . VAL   B 1 82  ? -13.053 21.557  28.958  1 35.23   ? 94  VAL   B HB   1 c 2 
ATOM   3006 H HG11 . VAL   B 1 82  ? -11.416 23.378  30.422  1 40.047  ? 94  VAL   B HG11 1 c 2 
ATOM   3007 H HG12 . VAL   B 1 82  ? -12.808 23.706  29.732  1 40.434  ? 94  VAL   B HG12 1 c 2 
ATOM   3008 H HG13 . VAL   B 1 82  ? -11.516 23.472  28.842  1 40.37   ? 94  VAL   B HG13 1 c 2 
ATOM   3009 H HG21 . VAL   B 1 82  ? -10.766 21.332  28.224  1 34.981  ? 94  VAL   B HG21 1 c 2 
ATOM   3010 H HG22 . VAL   B 1 82  ? -11.315 19.999  28.885  1 33.066  ? 94  VAL   B HG22 1 c 2 
ATOM   3011 H HG23 . VAL   B 1 82  ? -10.36  20.96   29.712  1 34.365  ? 94  VAL   B HG23 1 c 2 
ATOM   3012 N N    . ALA   B 1 83  ? -15.113 21.482  31.442  1 31.533  ? 95  ALA   B N    1 ? 2 
ATOM   3013 C CA   . ALA   B 1 83  ? -16.224 22.16   32.101  1 34.254  ? 95  ALA   B CA   1 ? 2 
ATOM   3014 C C    . ALA   B 1 83  ? -16.128 22.074  33.631  1 33.806  ? 95  ALA   B C    1 ? 2 
ATOM   3015 O O    . ALA   B 1 83  ? -16.715 22.918  34.286  1 34.534  ? 95  ALA   B O    1 ? 2 
ATOM   3016 C CB   . ALA   B 1 83  ? -17.573 21.619  31.604  1 35.059  ? 95  ALA   B CB   1 ? 2 
ATOM   3017 H H    . ALA   B 1 83  ? -15.285 20.768  30.899  1 31.862  ? 95  ALA   B H    1 c 2 
ATOM   3018 H HA   . ALA   B 1 83  ? -16.17  23.125  31.855  1 35.359  ? 95  ALA   B HA   1 c 2 
ATOM   3019 H HB1  . ALA   B 1 83  ? -17.631 21.721  30.64   1 34.907  ? 95  ALA   B HB1  1 c 2 
ATOM   3020 H HB2  . ALA   B 1 83  ? -17.652 20.678  31.833  1 33.672  ? 95  ALA   B HB2  1 c 2 
ATOM   3021 H HB3  . ALA   B 1 83  ? -18.297 22.113  32.024  1 35.937  ? 95  ALA   B HB3  1 c 2 
ATOM   3022 N N    . THR   B 1 84  ? -15.414 21.076  34.191  1 36.753  ? 96  THR   B N    1 ? 2 
ATOM   3023 C CA   . THR   B 1 84  ? -15.255 20.931  35.637  1 35.908  ? 96  THR   B CA   1 ? 2 
ATOM   3024 C C    . THR   B 1 84  ? -14.062 21.74   36.192  1 42.349  ? 96  THR   B C    1 ? 2 
ATOM   3025 O O    . THR   B 1 84  ? -13.858 21.726  37.389  1 36.774  ? 96  THR   B O    1 ? 2 
ATOM   3026 C CB   . THR   B 1 84  ? -15.033 19.489  36.068  1 34.871  ? 96  THR   B CB   1 ? 2 
ATOM   3027 O OG1  . THR   B 1 84  ? -13.696 19.173  35.65   1 35.119  ? 96  THR   B OG1  1 ? 2 
ATOM   3028 C CG2  . THR   B 1 84  ? -16.113 18.536  35.592  1 33.231  ? 96  THR   B CG2  1 ? 2 
ATOM   3029 H H    . THR   B 1 84  ? -15.024 20.453  33.649  1 34.238  ? 96  THR   B H    1 c 2 
ATOM   3030 H HA   . THR   B 1 84  ? -16.075 21.255  36.068  1 38.011  ? 96  THR   B HA   1 c 2 
ATOM   3031 H HB   . THR   B 1 84  ? -15.059 19.463  37.054  1 35.586  ? 96  THR   B HB   1 c 2 
ATOM   3032 H HG1  . THR   B 1 84  ? -13.645 19.264  34.803  0 30      ? 96  THR   B HG1  1 c 2 
ATOM   3033 H HG21 . THR   B 1 84  ? -15.939 17.646  35.942  1 32.833  ? 96  THR   B HG21 1 c 2 
ATOM   3034 H HG22 . THR   B 1 84  ? -16.115 18.506  34.621  1 32.857  ? 96  THR   B HG22 1 c 2 
ATOM   3035 H HG23 . THR   B 1 84  ? -16.98  18.843  35.907  1 34.3    ? 96  THR   B HG23 1 c 2 
ATOM   3036 N N    . MET   B 1 85  ? -13.264 22.421  35.366  1 41.54   ? 97  MET   B N    1 ? 2 
ATOM   3037 C CA   . MET   B 1 85  ? -12.001 23.013  35.829  1 39.781  ? 97  MET   B CA   1 ? 2 
ATOM   3038 C C    . MET   B 1 85  ? -12.113 24.53   36.073  1 42.729  ? 97  MET   B C    1 ? 2 
ATOM   3039 O O    . MET   B 1 85  ? -12.871 25.229  35.395  1 42.424  ? 97  MET   B O    1 ? 2 
ATOM   3040 C CB   . MET   B 1 85  ? -10.933 22.794  34.745  1 37.541  ? 97  MET   B CB   1 ? 2 
ATOM   3041 C CG   . MET   B 1 85  ? -10.541 21.312  34.464  1 35.658  ? 97  MET   B CG   1 ? 2 
ATOM   3042 S SD   . MET   B 1 85  ? -9.344  21.208  33.107  1 34.508  ? 97  MET   B SD   1 ? 2 
ATOM   3043 C CE   . MET   B 1 85  ? -7.911  21.896  33.965  1 43.905  ? 97  MET   B CE   1 ? 2 
ATOM   3044 H H    . MET   B 1 85  ? -13.502 22.527  34.49   1 40.747  ? 97  MET   B H    1 c 2 
ATOM   3045 H HA   . MET   B 1 85  ? -11.724 22.565  36.668  1 40.092  ? 97  MET   B HA   1 c 2 
ATOM   3046 H HB2  . MET   B 1 85  ? -11.258 23.193  33.91   1 38.05   ? 97  MET   B HB2  1 c 2 
ATOM   3047 H HB3  . MET   B 1 85  ? -10.126 23.285  35.009  1 39.024  ? 97  MET   B HB3  1 c 2 
ATOM   3048 H HG2  . MET   B 1 85  ? -10.149 20.916  35.265  1 35.512  ? 97  MET   B HG2  1 c 2 
ATOM   3049 H HG3  . MET   B 1 85  ? -11.338 20.8    34.228  1 34.536  ? 97  MET   B HG3  1 c 2 
ATOM   3050 H HE1  . MET   B 1 85  ? -7.143  21.89   33.366  1 42.033  ? 97  MET   B HE1  1 c 2 
ATOM   3051 H HE2  . MET   B 1 85  ? -8.102  22.813  34.235  1 42.979  ? 97  MET   B HE2  1 c 2 
ATOM   3052 H HE3  . MET   B 1 85  ? -7.715  21.357  34.753  1 41.591  ? 97  MET   B HE3  1 c 2 
ATOM   3053 N N    . LYS   B 1 86  ? -11.265 25.067  36.971  1 46.527  ? 98  LYS   B N    1 ? 2 
ATOM   3054 C CA   . LYS   B 1 86  ? -11.181 26.513  37.276  1 52.432  ? 98  LYS   B CA   1 ? 2 
ATOM   3055 C C    . LYS   B 1 86  ? -9.972  27.166  36.601  1 53.84   ? 98  LYS   B C    1 ? 2 
ATOM   3056 O O    . LYS   B 1 86  ? -9.031  26.47   36.201  1 49.868  ? 98  LYS   B O    1 ? 2 
ATOM   3057 C CB   . LYS   B 1 86  ? -11.079 26.691  38.787  1 54.923  ? 98  LYS   B CB   1 ? 2 
ATOM   3058 C CG   . LYS   B 1 86  ? -12.202 25.939  39.478  1 64.226  ? 98  LYS   B CG   1 ? 2 
ATOM   3059 C CD   . LYS   B 1 86  ? -12.166 25.994  40.992  1 78.464  ? 98  LYS   B CD   1 ? 2 
ATOM   3060 C CE   . LYS   B 1 86  ? -13.438 25.45   41.573  1 81.567  ? 98  LYS   B CE   1 ? 2 
ATOM   3061 N NZ   . LYS   B 1 86  ? -13.577 26.045  42.907  1 79.83   ? 98  LYS   B NZ   1 ? 2 
ATOM   3062 H H    . LYS   B 1 86  ? -10.702 24.504  37.42   1 46.249  ? 98  LYS   B H    1 c 2 
ATOM   3063 H HA   . LYS   B 1 86  ? -12.007 26.955  36.953  1 52.388  ? 98  LYS   B HA   1 c 2 
ATOM   3064 H HB2  . LYS   B 1 86  ? -10.216 26.348  39.104  1 56.675  ? 98  LYS   B HB2  1 c 2 
ATOM   3065 H HB3  . LYS   B 1 86  ? -11.138 27.643  39.014  1 58.726  ? 98  LYS   B HB3  1 c 2 
ATOM   3066 H HG2  . LYS   B 1 86  ? -13.057 26.308  39.167  1 64.507  ? 98  LYS   B HG2  1 c 2 
ATOM   3067 H HG3  . LYS   B 1 86  ? -12.166 24.999  39.199  1 62.068  ? 98  LYS   B HG3  1 c 2 
ATOM   3068 H HD2  . LYS   B 1 86  ? -11.408 25.463  41.32   1 75.616  ? 98  LYS   B HD2  1 c 2 
ATOM   3069 H HD3  . LYS   B 1 86  ? -12.043 26.922  41.28   1 78      ? 98  LYS   B HD3  1 c 2 
ATOM   3070 H HE2  . LYS   B 1 86  ? -14.205 25.695  41.025  1 79.358  ? 98  LYS   B HE2  1 c 2 
ATOM   3071 H HE3  . LYS   B 1 86  ? -13.394 24.48   41.648  1 78.252  ? 98  LYS   B HE3  1 c 2 
ATOM   3072 H HZ1  . LYS   B 1 86  ? -13.555 26.948  42.855  1 82.505  ? 98  LYS   B HZ1  1 c 2 
ATOM   3073 H HZ2  . LYS   B 1 86  ? -12.9   25.763  43.439  1 81.382  ? 98  LYS   B HZ2  1 c 2 
ATOM   3074 H HZ3  . LYS   B 1 86  ? -14.365 25.79   43.273  1 81.351  ? 98  LYS   B HZ3  1 c 2 
ATOM   3075 N N    . LYS   B 1 87  ? -10.033 28.496  36.421  1 52.86   ? 99  LYS   B N    1 ? 2 
ATOM   3076 C CA   . LYS   B 1 87  ? -8.977  29.279  35.789  1 54.857  ? 99  LYS   B CA   1 ? 2 
ATOM   3077 C C    . LYS   B 1 87  ? -7.703  29.025  36.584  1 55.771  ? 99  LYS   B C    1 ? 2 
ATOM   3078 O O    . LYS   B 1 87  ? -7.719  29.2    37.802  1 58.516  ? 99  LYS   B O    1 ? 2 
ATOM   3079 C CB   . LYS   B 1 87  ? -9.196  30.809  35.787  1 53.321  ? 99  LYS   B CB   1 ? 2 
ATOM   3080 H H    . LYS   B 1 87  ? -10.779 28.936  36.713  1 54.579  ? 99  LYS   B H    1 c 2 
ATOM   3081 H HA   . LYS   B 1 87  ? -8.856  28.956  34.86   1 52.866  ? 99  LYS   B HA   1 c 2 
ATOM   3082 H HB2  . LYS   B 1 87  ? -8.356  31.203  35.714  0 30      ? 99  LYS   B HB2  1 c 2 
ATOM   3083 H HB3  . LYS   B 1 87  ? -10.192 30.913  35.722  0 30      ? 99  LYS   B HB3  1 c 2 
ATOM   3084 N N    . GLY   B 1 88  ? -6.657  28.536  35.894  1 54.005  ? 100 GLY   B N    1 ? 2 
ATOM   3085 C CA   . GLY   B 1 88  ? -5.391  28.262  36.551  1 54.72   ? 100 GLY   B CA   1 ? 2 
ATOM   3086 C C    . GLY   B 1 88  ? -5.188  26.778  36.872  1 53.157  ? 100 GLY   B C    1 ? 2 
ATOM   3087 O O    . GLY   B 1 88  ? -4.072  26.358  37.131  1 48.445  ? 100 GLY   B O    1 ? 2 
ATOM   3088 H H    . GLY   B 1 88  ? -6.736  28.372  34.998  1 53.394  ? 100 GLY   B H    1 c 2 
ATOM   3089 H HA2  . GLY   B 1 88  ? -4.659  28.569  35.966  1 55.883  ? 100 GLY   B HA2  1 c 2 
ATOM   3090 H HA3  . GLY   B 1 88  ? -5.342  28.785  37.386  1 56.596  ? 100 GLY   B HA3  1 c 2 
ATOM   3091 N N    . GLU   B 1 89  ? -6.26   25.972  36.829  1 49.847  ? 101 GLU   B N    1 ? 2 
ATOM   3092 C CA   . GLU   B 1 89  ? -6.165  24.601  37.294  1 46.143  ? 101 GLU   B CA   1 ? 2 
ATOM   3093 C C    . GLU   B 1 89  ? -5.378  23.749  36.289  1 44.002  ? 101 GLU   B C    1 ? 2 
ATOM   3094 O O    . GLU   B 1 89  ? -5.449  23.935  35.056  1 45.081  ? 101 GLU   B O    1 ? 2 
ATOM   3095 C CB   . GLU   B 1 89  ? -7.582  24.062  37.502  1 44.055  ? 101 GLU   B CB   1 ? 2 
ATOM   3096 C CG   . GLU   B 1 89  ? -7.71   22.627  38.033  1 42.356  ? 101 GLU   B CG   1 ? 2 
ATOM   3097 C CD   . GLU   B 1 89  ? -9.138  22.112  38.057  1 41.813  ? 101 GLU   B CD   1 ? 2 
ATOM   3098 O OE1  . GLU   B 1 89  ? -9.967  22.939  38.573  1 39.415  ? 101 GLU   B OE1  1 ? 2 
ATOM   3099 O OE2  . GLU   B 1 89  ? -9.447  20.92   37.638  1 37.442  ? 101 GLU   B OE2  1 ? 2 
ATOM   3100 H H    . GLU   B 1 89  ? -7.057  26.277  36.5    1 49.346  ? 101 GLU   B H    1 c 2 
ATOM   3101 H HA   . GLU   B 1 89  ? -5.689  24.6    38.161  1 47.393  ? 101 GLU   B HA   1 c 2 
ATOM   3102 H HB2  . GLU   B 1 89  ? -8.05   24.658  38.124  1 45.265  ? 101 GLU   B HB2  1 c 2 
ATOM   3103 H HB3  . GLU   B 1 89  ? -8.055  24.102  36.645  1 43.32   ? 101 GLU   B HB3  1 c 2 
ATOM   3104 H HG2  . GLU   B 1 89  ? -7.174  22.027  37.473  1 41.675  ? 101 GLU   B HG2  1 c 2 
ATOM   3105 H HG3  . GLU   B 1 89  ? -7.349  22.588  38.944  1 43.614  ? 101 GLU   B HG3  1 c 2 
ATOM   3106 N N    . ILE   B 1 90  ? -4.655  22.771  36.849  1 43.727  ? 102 ILE   B N    1 ? 2 
ATOM   3107 C CA   . ILE   B 1 90  ? -4.062  21.7    36.055  1 42.126  ? 102 ILE   B CA   1 ? 2 
ATOM   3108 C C    . ILE   B 1 90  ? -4.67   20.383  36.507  1 42.278  ? 102 ILE   B C    1 ? 2 
ATOM   3109 O O    . ILE   B 1 90  ? -4.7    20.104  37.707  1 44.253  ? 102 ILE   B O    1 ? 2 
ATOM   3110 C CB   . ILE   B 1 90  ? -2.536  21.637  36.149  1 45.684  ? 102 ILE   B CB   1 ? 2 
ATOM   3111 C CG1  . ILE   B 1 90  ? -1.923  22.91   35.625  1 53.216  ? 102 ILE   B CG1  1 ? 2 
ATOM   3112 C CG2  . ILE   B 1 90  ? -2.021  20.406  35.392  1 44.605  ? 102 ILE   B CG2  1 ? 2 
ATOM   3113 C CD1  . ILE   B 1 90  ? -0.456  23.089  35.963  1 54.301  ? 102 ILE   B CD1  1 ? 2 
ATOM   3114 H H    . ILE   B 1 90  ? -4.525  22.77   37.754  1 44.479  ? 102 ILE   B H    1 c 2 
ATOM   3115 H HA   . ILE   B 1 90  ? -4.299  21.846  35.123  1 42.215  ? 102 ILE   B HA   1 c 2 
ATOM   3116 H HB   . ILE   B 1 90  ? -2.291  21.544  37.092  1 47.145  ? 102 ILE   B HB   1 c 2 
ATOM   3117 H HG12 . ILE   B 1 90  ? -2.023  22.926  34.652  1 50.836  ? 102 ILE   B HG12 1 c 2 
ATOM   3118 H HG13 . ILE   B 1 90  ? -2.42   23.671  35.988  1 52.113  ? 102 ILE   B HG13 1 c 2 
ATOM   3119 H HG21 . ILE   B 1 90  ? -1.05   20.417  35.372  1 45.946  ? 102 ILE   B HG21 1 c 2 
ATOM   3120 H HG22 . ILE   B 1 90  ? -2.361  20.418  34.481  1 43.691  ? 102 ILE   B HG22 1 c 2 
ATOM   3121 H HG23 . ILE   B 1 90  ? -2.322  19.596  35.837  1 43.606  ? 102 ILE   B HG23 1 c 2 
ATOM   3122 H HD11 . ILE   B 1 90  ? -0.341  23.102  36.933  1 55.503  ? 102 ILE   B HD11 1 c 2 
ATOM   3123 H HD12 . ILE   B 1 90  ? -0.139  23.931  35.588  1 56.134  ? 102 ILE   B HD12 1 c 2 
ATOM   3124 H HD13 . ILE   B 1 90  ? 0.062   22.353  35.586  1 54.234  ? 102 ILE   B HD13 1 c 2 
ATOM   3125 N N    . ALA   B 1 91  ? -5.142  19.601  35.518  1 36.851  ? 103 ALA   B N    1 ? 2 
ATOM   3126 C CA   . ALA   B 1 91  ? -5.784  18.327  35.829  1 36.029  ? 103 ALA   B CA   1 ? 2 
ATOM   3127 C C    . ALA   B 1 91  ? -5.239  17.231  34.912  1 31.506  ? 103 ALA   B C    1 ? 2 
ATOM   3128 O O    . ALA   B 1 91  ? -4.734  17.557  33.828  1 35.993  ? 103 ALA   B O    1 ? 2 
ATOM   3129 C CB   . ALA   B 1 91  ? -7.299  18.455  35.674  1 35.568  ? 103 ALA   B CB   1 ? 2 
ATOM   3130 H H    . ALA   B 1 91  ? -5.063  19.861  34.645  1 37.684  ? 103 ALA   B H    1 c 2 
ATOM   3131 H HA   . ALA   B 1 91  ? -5.568  18.086  36.77   1 35.981  ? 103 ALA   B HA   1 c 2 
ATOM   3132 H HB1  . ALA   B 1 91  ? -7.632  19.141  36.277  1 36.163  ? 103 ALA   B HB1  1 c 2 
ATOM   3133 H HB2  . ALA   B 1 91  ? -7.514  18.699  34.758  1 34.915  ? 103 ALA   B HB2  1 c 2 
ATOM   3134 H HB3  . ALA   B 1 91  ? -7.722  17.606  35.888  1 34.504  ? 103 ALA   B HB3  1 c 2 
ATOM   3135 N N    . HIS   B 1 92  ? -5.32   15.991  35.396  1 29.445  ? 104 HIS   B N    1 ? 2 
ATOM   3136 C CA   . HIS   B 1 92  ? -5.061  14.795  34.632  1 30.118  ? 104 HIS   B CA   1 ? 2 
ATOM   3137 C C    . HIS   B 1 92  ? -6.397  14.119  34.324  1 32.219  ? 104 HIS   B C    1 ? 2 
ATOM   3138 O O    . HIS   B 1 92  ? -7.226  13.989  35.209  1 33.328  ? 104 HIS   B O    1 ? 2 
ATOM   3139 C CB   . HIS   B 1 92  ? -4.155  13.838  35.409  1 34.058  ? 104 HIS   B CB   1 ? 2 
ATOM   3140 C CG   . HIS   B 1 92  ? -2.707  14.251  35.464  1 35.937  ? 104 HIS   B CG   1 ? 2 
ATOM   3141 N ND1  . HIS   B 1 92  ? -1.761  13.579  36.202  1 35.143  ? 104 HIS   B ND1  1 ? 2 
ATOM   3142 C CD2  . HIS   B 1 92  ? -2.063  15.26   34.873  1 38.655  ? 104 HIS   B CD2  1 ? 2 
ATOM   3143 C CE1  . HIS   B 1 92  ? -0.572  14.152  36.035  1 38.735  ? 104 HIS   B CE1  1 ? 2 
ATOM   3144 N NE2  . HIS   B 1 92  ? -0.728  15.192  35.24   1 39.276  ? 104 HIS   B NE2  1 ? 2 
ATOM   3145 H H    . HIS   B 1 92  ? -5.557  15.889  36.273  1 30.494  ? 104 HIS   B H    1 c 2 
ATOM   3146 H HA   . HIS   B 1 92  ? -4.629  15.044  33.782  1 31.165  ? 104 HIS   B HA   1 c 2 
ATOM   3147 H HB2  . HIS   B 1 92  ? -4.497  13.76   36.326  1 33.568  ? 104 HIS   B HB2  1 c 2 
ATOM   3148 H HB3  . HIS   B 1 92  ? -4.214  12.948  34.997  1 32.757  ? 104 HIS   B HB3  1 c 2 
ATOM   3149 H HD1  . HIS   B 1 92  ? -1.904  12.878  36.637  0 30      ? 104 HIS   B HD1  1 c 2 
ATOM   3150 H HD2  . HIS   B 1 92  ? -2.44   15.9    34.303  1 37.398  ? 104 HIS   B HD2  1 c 2 
ATOM   3151 H HE1  . HIS   B 1 92  ? 0.232   13.882  36.444  1 39.954  ? 104 HIS   B HE1  1 c 2 
ATOM   3152 H HE2  . HIS   B 1 92  ? -0.116  15.801  34.987  0 30      ? 104 HIS   B HE2  1 c 2 
ATOM   3153 N N    . LEU   B 1 93  ? -6.605  13.701  33.06   1 28.813  ? 105 LEU   B N    1 ? 2 
ATOM   3154 C CA   . LEU   B 1 93  ? -7.781  12.942  32.657  1 30.845  ? 105 LEU   B CA   1 ? 2 
ATOM   3155 C C    . LEU   B 1 93  ? -7.313  11.643  32.022  1 31.695  ? 105 LEU   B C    1 ? 2 
ATOM   3156 O O    . LEU   B 1 93  ? -6.36   11.627  31.239  1 29.825  ? 105 LEU   B O    1 ? 2 
ATOM   3157 C CB   . LEU   B 1 93  ? -8.623  13.717  31.651  1 31.5    ? 105 LEU   B CB   1 ? 2 
ATOM   3158 C CG   . LEU   B 1 93  ? -9.189  15.085  32.04   1 30.242  ? 105 LEU   B CG   1 ? 2 
ATOM   3159 C CD1  . LEU   B 1 93  ? -9.928  15.644  30.832  1 30.297  ? 105 LEU   B CD1  1 ? 2 
ATOM   3160 C CD2  . LEU   B 1 93  ? -10.107 14.927  33.187  1 30.956  ? 105 LEU   B CD2  1 ? 2 
ATOM   3161 H H    . LEU   B 1 93  ? -5.98   13.901  32.423  1 30.464  ? 105 LEU   B H    1 c 2 
ATOM   3162 H HA   . LEU   B 1 93  ? -8.322  12.742  33.457  1 30.427  ? 105 LEU   B HA   1 c 2 
ATOM   3163 H HB2  . LEU   B 1 93  ? -8.08   13.836  30.837  1 31.064  ? 105 LEU   B HB2  1 c 2 
ATOM   3164 H HB3  . LEU   B 1 93  ? -9.378  13.142  31.388  1 30.179  ? 105 LEU   B HB3  1 c 2 
ATOM   3165 H HG   . LEU   B 1 93  ? -8.443  15.69   32.287  1 31.558  ? 105 LEU   B HG   1 c 2 
ATOM   3166 H HD11 . LEU   B 1 93  ? -9.305  15.762  30.095  1 30.533  ? 105 LEU   B HD11 1 c 2 
ATOM   3167 H HD12 . LEU   B 1 93  ? -10.323 16.502  31.061  1 30.684  ? 105 LEU   B HD12 1 c 2 
ATOM   3168 H HD13 . LEU   B 1 93  ? -10.63  15.027  30.565  1 29.582  ? 105 LEU   B HD13 1 c 2 
ATOM   3169 H HD21 . LEU   B 1 93  ? -9.604  14.647  33.971  1 31.09   ? 105 LEU   B HD21 1 c 2 
ATOM   3170 H HD22 . LEU   B 1 93  ? -10.778 14.256  32.977  1 30.078  ? 105 LEU   B HD22 1 c 2 
ATOM   3171 H HD23 . LEU   B 1 93  ? -10.544 15.775  33.371  1 31.109  ? 105 LEU   B HD23 1 c 2 
ATOM   3172 N N    . LEU   B 1 94  ? -8.009  10.57   32.38   1 26.834  ? 106 LEU   B N    1 ? 2 
ATOM   3173 C CA   . LEU   B 1 94  ? -7.91   9.296   31.69   1 30.284  ? 106 LEU   B CA   1 ? 2 
ATOM   3174 C C    . LEU   B 1 94  ? -9.287  8.969   31.109  1 31.644  ? 106 LEU   B C    1 ? 2 
ATOM   3175 O O    . LEU   B 1 94  ? -10.298 9.057   31.837  1 28.119  ? 106 LEU   B O    1 ? 2 
ATOM   3176 C CB   . LEU   B 1 94  ? -7.501  8.199   32.651  1 29.027  ? 106 LEU   B CB   1 ? 2 
ATOM   3177 C CG   . LEU   B 1 94  ? -7.107  6.865   32.046  1 29.553  ? 106 LEU   B CG   1 ? 2 
ATOM   3178 C CD1  . LEU   B 1 94  ? -5.824  7.038   31.179  1 29.964  ? 106 LEU   B CD1  1 ? 2 
ATOM   3179 C CD2  . LEU   B 1 94  ? -6.925  5.843   33.11   1 33.927  ? 106 LEU   B CD2  1 ? 2 
ATOM   3180 H H    . LEU   B 1 94  ? -8.575  10.631  33.095  1 28.54   ? 106 LEU   B H    1 c 2 
ATOM   3181 H HA   . LEU   B 1 94  ? -7.248  9.371   30.961  1 29.83   ? 106 LEU   B HA   1 c 2 
ATOM   3182 H HB2  . LEU   B 1 94  ? -6.743  8.531   33.185  1 30.212  ? 106 LEU   B HB2  1 c 2 
ATOM   3183 H HB3  . LEU   B 1 94  ? -8.247  8.046   33.276  1 29.338  ? 106 LEU   B HB3  1 c 2 
ATOM   3184 H HG   . LEU   B 1 94  ? -7.842  6.563   31.453  1 29.522  ? 106 LEU   B HG   1 c 2 
ATOM   3185 H HD11 . LEU   B 1 94  ? -6.025  7.589   30.405  1 29.608  ? 106 LEU   B HD11 1 c 2 
ATOM   3186 H HD12 . LEU   B 1 94  ? -5.514  6.166   30.881  1 30.649  ? 106 LEU   B HD12 1 c 2 
ATOM   3187 H HD13 . LEU   B 1 94  ? -5.129  7.464   31.708  1 30.727  ? 106 LEU   B HD13 1 c 2 
ATOM   3188 H HD21 . LEU   B 1 94  ? -7.765  5.71    33.58   1 32.523  ? 106 LEU   B HD21 1 c 2 
ATOM   3189 H HD22 . LEU   B 1 94  ? -6.248  6.145   33.739  1 33.57   ? 106 LEU   B HD22 1 c 2 
ATOM   3190 H HD23 . LEU   B 1 94  ? -6.643  5.003   32.71   1 33.362  ? 106 LEU   B HD23 1 c 2 
ATOM   3191 N N    . ILE   B 1 95  ? -9.3    8.605   29.819  1 28.322  ? 107 ILE   B N    1 ? 2 
ATOM   3192 C CA   . ILE   B 1 95  ? -10.512 8.576   29.02   1 27.871  ? 107 ILE   B CA   1 ? 2 
ATOM   3193 C C    . ILE   B 1 95  ? -10.684 7.24    28.292  1 27.428  ? 107 ILE   B C    1 ? 2 
ATOM   3194 O O    . ILE   B 1 95  ? -9.857  6.886   27.463  1 30.116  ? 107 ILE   B O    1 ? 2 
ATOM   3195 C CB   . ILE   B 1 95  ? -10.441 9.74    28.023  1 30.187  ? 107 ILE   B CB   1 ? 2 
ATOM   3196 C CG1  . ILE   B 1 95  ? -10.235 11.124  28.736  1 29.348  ? 107 ILE   B CG1  1 ? 2 
ATOM   3197 C CG2  . ILE   B 1 95  ? -11.639 9.729   27.101  1 27.812  ? 107 ILE   B CG2  1 ? 2 
ATOM   3198 C CD1  . ILE   B 1 95  ? -9.696  12.202  27.824  1 30.874  ? 107 ILE   B CD1  1 ? 2 
ATOM   3199 H H    . ILE   B 1 95  ? -8.514  8.359   29.423  1 29.517  ? 107 ILE   B H    1 c 2 
ATOM   3200 H HA   . ILE   B 1 95  ? -11.277 8.717   29.606  1 27.882  ? 107 ILE   B HA   1 c 2 
ATOM   3201 H HB   . ILE   B 1 95  ? -9.651  9.588   27.467  1 29.582  ? 107 ILE   B HB   1 c 2 
ATOM   3202 H HG12 . ILE   B 1 95  ? -11.092 11.421  29.103  1 29.476  ? 107 ILE   B HG12 1 c 2 
ATOM   3203 H HG13 . ILE   B 1 95  ? -9.614  11.01   29.483  1 29.956  ? 107 ILE   B HG13 1 c 2 
ATOM   3204 H HG21 . ILE   B 1 95  ? -11.703 10.581  26.639  1 28.63   ? 107 ILE   B HG21 1 c 2 
ATOM   3205 H HG22 . ILE   B 1 95  ? -12.448 9.581   27.619  1 28.184  ? 107 ILE   B HG22 1 c 2 
ATOM   3206 H HG23 . ILE   B 1 95  ? -11.541 9.017   26.446  1 28.684  ? 107 ILE   B HG23 1 c 2 
ATOM   3207 H HD11 . ILE   B 1 95  ? -8.851  11.905  27.437  1 31.007  ? 107 ILE   B HD11 1 c 2 
ATOM   3208 H HD12 . ILE   B 1 95  ? -9.547  13.019  28.337  1 30.808  ? 107 ILE   B HD12 1 c 2 
ATOM   3209 H HD13 . ILE   B 1 95  ? -10.334 12.381  27.108  1 30.509  ? 107 ILE   B HD13 1 c 2 
ATOM   3210 N N    . LYS   B 1 96  ? -11.823 6.576   28.49   1 28.464  ? 108 LYS   B N    1 ? 2 
ATOM   3211 C CA   . LYS   B 1 96  ? -12.188 5.356   27.747  1 28.281  ? 108 LYS   B CA   1 ? 2 
ATOM   3212 C C    . LYS   B 1 96  ? -12.656 5.724   26.347  1 29.399  ? 108 LYS   B C    1 ? 2 
ATOM   3213 O O    . LYS   B 1 96  ? -13.032 6.876   26.075  1 29.74   ? 108 LYS   B O    1 ? 2 
ATOM   3214 C CB   . LYS   B 1 96  ? -13.297 4.55    28.445  1 30.603  ? 108 LYS   B CB   1 ? 2 
ATOM   3215 C CG   . LYS   B 1 96  ? -12.955 3.871   29.759  1 33.423  ? 108 LYS   B CG   1 ? 2 
ATOM   3216 C CD   . LYS   B 1 96  ? -14.195 3.244   30.391  1 35.406  ? 108 LYS   B CD   1 ? 2 
ATOM   3217 C CE   . LYS   B 1 96  ? -13.998 2.54    31.695  1 40.471  ? 108 LYS   B CE   1 ? 2 
ATOM   3218 N NZ   . LYS   B 1 96  ? -15.313 1.966   32.037  1 40.649  ? 108 LYS   B NZ   1 ? 2 
ATOM   3219 H H    . LYS   B 1 96  ? -12.409 6.89    29.118  1 27.808  ? 108 LYS   B H    1 c 2 
ATOM   3220 H HA   . LYS   B 1 96  ? -11.38  4.786   27.675  1 29.462  ? 108 LYS   B HA   1 c 2 
ATOM   3221 H HB2  . LYS   B 1 96  ? -14.049 5.158   28.61   1 30.329  ? 108 LYS   B HB2  1 c 2 
ATOM   3222 H HB3  . LYS   B 1 96  ? -13.614 3.861   27.825  1 31.106  ? 108 LYS   B HB3  1 c 2 
ATOM   3223 H HG2  . LYS   B 1 96  ? -12.285 3.174   29.593  1 33.791  ? 108 LYS   B HG2  1 c 2 
ATOM   3224 H HG3  . LYS   B 1 96  ? -12.572 4.534   30.373  1 32.918  ? 108 LYS   B HG3  1 c 2 
ATOM   3225 H HD2  . LYS   B 1 96  ? -14.867 3.947   30.515  1 35.562  ? 108 LYS   B HD2  1 c 2 
ATOM   3226 H HD3  . LYS   B 1 96  ? -14.57  2.604   29.747  1 36.441  ? 108 LYS   B HD3  1 c 2 
ATOM   3227 H HE2  . LYS   B 1 96  ? -13.338 1.829   31.609  1 39.906  ? 108 LYS   B HE2  1 c 2 
ATOM   3228 H HE3  . LYS   B 1 96  ? -13.716 3.163   32.388  1 39.052  ? 108 LYS   B HE3  1 c 2 
ATOM   3229 H HZ1  . LYS   B 1 96  ? -15.561 1.361   31.41   1 41.163  ? 108 LYS   B HZ1  1 c 2 
ATOM   3230 H HZ2  . LYS   B 1 96  ? -15.937 2.621   32.085  1 40.386  ? 108 LYS   B HZ2  1 c 2 
ATOM   3231 H HZ3  . LYS   B 1 96  ? -15.261 1.551   32.841  1 41.531  ? 108 LYS   B HZ3  1 c 2 
ATOM   3232 N N    . PRO   B 1 97  ? -12.597 4.776   25.381  1 30.635  ? 109 PRO   B N    1 ? 2 
ATOM   3233 C CA   . PRO   B 1 97  ? -12.819 5.11    23.988  1 28.113  ? 109 PRO   B CA   1 ? 2 
ATOM   3234 C C    . PRO   B 1 97  ? -14.184 5.704   23.718  1 26.371  ? 109 PRO   B C    1 ? 2 
ATOM   3235 O O    . PRO   B 1 97  ? -14.302 6.518   22.827  1 27.276  ? 109 PRO   B O    1 ? 2 
ATOM   3236 C CB   . PRO   B 1 97  ? -12.578 3.793   23.239  1 32.938  ? 109 PRO   B CB   1 ? 2 
ATOM   3237 C CG   . PRO   B 1 97  ? -12.437 2.694   24.274  1 31.427  ? 109 PRO   B CG   1 ? 2 
ATOM   3238 C CD   . PRO   B 1 97  ? -12.056 3.421   25.561  1 33.268  ? 109 PRO   B CD   1 ? 2 
ATOM   3239 H HA   . PRO   B 1 97  ? -12.136 5.754   23.708  1 28.958  ? 109 PRO   B HA   1 c 2 
ATOM   3240 H HB2  . PRO   B 1 97  ? -13.325 3.6     22.639  1 32.133  ? 109 PRO   B HB2  1 c 2 
ATOM   3241 H HB3  . PRO   B 1 97  ? -11.768 3.855   22.696  1 32.178  ? 109 PRO   B HB3  1 c 2 
ATOM   3242 H HG2  . PRO   B 1 97  ? -13.279 2.21    24.387  1 32.644  ? 109 PRO   B HG2  1 c 2 
ATOM   3243 H HG3  . PRO   B 1 97  ? -11.739 2.06    24.016  1 33.191  ? 109 PRO   B HG3  1 c 2 
ATOM   3244 H HD2  . PRO   B 1 97  ? -12.455 2.987   26.336  1 32.141  ? 109 PRO   B HD2  1 c 2 
ATOM   3245 H HD3  . PRO   B 1 97  ? -11.086 3.451   25.674  1 32.358  ? 109 PRO   B HD3  1 c 2 
ATOM   3246 N N    . GLU   B 1 98  ? -15.199 5.309   24.499  1 26.326  ? 110 GLU   B N    1 ? 2 
ATOM   3247 C CA   . GLU   B 1 98  ? -16.542 5.833   24.308  1 29.995  ? 110 GLU   B CA   1 ? 2 
ATOM   3248 C C    . GLU   B 1 98  ? -16.612 7.362   24.479  1 28.145  ? 110 GLU   B C    1 ? 2 
ATOM   3249 O O    . GLU   B 1 98  ? -17.518 7.996   23.958  1 28.374  ? 110 GLU   B O    1 ? 2 
ATOM   3250 C CB   . GLU   B 1 98  ? -17.536 5.167   25.27   1 30.852  ? 110 GLU   B CB   1 ? 2 
ATOM   3251 C CG   . GLU   B 1 98  ? -17.679 3.655   25.023  1 36.674  ? 110 GLU   B CG   1 ? 2 
ATOM   3252 C CD   . GLU   B 1 98  ? -16.499 2.767   25.461  1 43.51   ? 110 GLU   B CD   1 ? 2 
ATOM   3253 O OE1  . GLU   B 1 98  ? -15.64  3.147   26.306  1 32.308  ? 110 GLU   B OE1  1 ? 2 
ATOM   3254 O OE2  . GLU   B 1 98  ? -16.421 1.637   24.902  1 46.691  ? 110 GLU   B OE2  1 ? 2 
ATOM   3255 H H    . GLU   B 1 98  ? -15.047 4.713   25.174  1 27.152  ? 110 GLU   B H    1 c 2 
ATOM   3256 H HA   . GLU   B 1 98  ? -16.822 5.615   23.383  1 29.884  ? 110 GLU   B HA   1 c 2 
ATOM   3257 H HB2  . GLU   B 1 98  ? -17.236 5.318   26.19   1 31.173  ? 110 GLU   B HB2  1 c 2 
ATOM   3258 H HB3  . GLU   B 1 98  ? -18.412 5.594   25.167  1 32.015  ? 110 GLU   B HB3  1 c 2 
ATOM   3259 H HG2  . GLU   B 1 98  ? -18.484 3.34    25.487  1 37.323  ? 110 GLU   B HG2  1 c 2 
ATOM   3260 H HG3  . GLU   B 1 98  ? -17.828 3.509   24.065  1 37.518  ? 110 GLU   B HG3  1 c 2 
ATOM   3261 N N    . TYR   B 1 99  ? -15.66  7.968   25.172  1 25.371  ? 111 TYR   B N    1 ? 2 
ATOM   3262 C CA   . TYR   B 1 99  ? -15.653 9.42    25.359  1 28.337  ? 111 TYR   B CA   1 ? 2 
ATOM   3263 C C    . TYR   B 1 99  ? -14.506 10.057  24.575  1 31.405  ? 111 TYR   B C    1 ? 2 
ATOM   3264 O O    . TYR   B 1 99  ? -14.202 11.256  24.737  1 28.911  ? 111 TYR   B O    1 ? 2 
ATOM   3265 C CB   . TYR   B 1 99  ? -15.595 9.804   26.831  1 28.032  ? 111 TYR   B CB   1 ? 2 
ATOM   3266 C CG   . TYR   B 1 99  ? -16.829 9.363   27.617  1 27.188  ? 111 TYR   B CG   1 ? 2 
ATOM   3267 C CD1  . TYR   B 1 99  ? -16.938 8.092   28.13   1 23.802  ? 111 TYR   B CD1  1 ? 2 
ATOM   3268 C CD2  . TYR   B 1 99  ? -17.865 10.258  27.888  1 31.162  ? 111 TYR   B CD2  1 ? 2 
ATOM   3269 C CE1  . TYR   B 1 99  ? -18.06  7.663   28.823  1 28.783  ? 111 TYR   B CE1  1 ? 2 
ATOM   3270 C CE2  . TYR   B 1 99  ? -19.014 9.835   28.539  1 31.41   ? 111 TYR   B CE2  1 ? 2 
ATOM   3271 C CZ   . TYR   B 1 99  ? -19.1   8.553   29.051  1 32.247  ? 111 TYR   B CZ   1 ? 2 
ATOM   3272 O OH   . TYR   B 1 99  ? -20.237 8.181   29.711  1 31.224  ? 111 TYR   B OH   1 ? 2 
ATOM   3273 H H    . TYR   B 1 99  ? -15     7.473   25.564  1 26.312  ? 111 TYR   B H    1 c 2 
ATOM   3274 H HA   . TYR   B 1 99  ? -16.503 9.779   24.992  1 28.655  ? 111 TYR   B HA   1 c 2 
ATOM   3275 H HB2  . TYR   B 1 99  ? -14.796 9.394   27.232  1 27.464  ? 111 TYR   B HB2  1 c 2 
ATOM   3276 H HB3  . TYR   B 1 99  ? -15.505 10.781  26.9    1 27.786  ? 111 TYR   B HB3  1 c 2 
ATOM   3277 H HD1  . TYR   B 1 99  ? -16.24  7.476   27.972  1 25.545  ? 111 TYR   B HD1  1 c 2 
ATOM   3278 H HD2  . TYR   B 1 99  ? -17.831 11.131  27.529  1 30.355  ? 111 TYR   B HD2  1 c 2 
ATOM   3279 H HE1  . TYR   B 1 99  ? -18.113 6.779   29.145  1 28.584  ? 111 TYR   B HE1  1 c 2 
ATOM   3280 H HE2  . TYR   B 1 99  ? -19.711 10.448  28.701  1 32.094  ? 111 TYR   B HE2  1 c 2 
ATOM   3281 H HH   . TYR   B 1 99  ? -20.166 7.368   29.95   0 30      ? 111 TYR   B HH   1 c 2 
ATOM   3282 N N    . ALA   B 1 100 ? -13.919 9.282   23.656  1 28.627  ? 112 ALA   B N    1 ? 2 
ATOM   3283 C CA   . ALA   B 1 100 ? -12.903 9.804   22.767  1 28.981  ? 112 ALA   B CA   1 ? 2 
ATOM   3284 C C    . ALA   B 1 100 ? -13.209 9.416   21.308  1 32.321  ? 112 ALA   B C    1 ? 2 
ATOM   3285 O O    . ALA   B 1 100 ? -14.128 9.999   20.731  1 32.429  ? 112 ALA   B O    1 ? 2 
ATOM   3286 C CB   . ALA   B 1 100 ? -11.555 9.357   23.243  1 29.157  ? 112 ALA   B CB   1 ? 2 
ATOM   3287 H H    . ALA   B 1 100 ? -14.162 8.406   23.576  1 29.31   ? 112 ALA   B H    1 c 2 
ATOM   3288 H HA   . ALA   B 1 100 ? -12.935 10.797  22.819  1 29.585  ? 112 ALA   B HA   1 c 2 
ATOM   3289 H HB1  . ALA   B 1 100 ? -11.332 9.816   24.07   1 28.584  ? 112 ALA   B HB1  1 c 2 
ATOM   3290 H HB2  . ALA   B 1 100 ? -11.565 8.398   23.401  1 29.016  ? 112 ALA   B HB2  1 c 2 
ATOM   3291 H HB3  . ALA   B 1 100 ? -10.884 9.565   22.571  1 29.759  ? 112 ALA   B HB3  1 c 2 
ATOM   3292 N N    . TYR   B 1 101 ? -12.48  8.446   20.718  1 30.589  ? 113 TYR   B N    1 ? 2 
ATOM   3293 C CA   . TYR   B 1 101 ? -12.604 8.15    19.279  1 31.219  ? 113 TYR   B CA   1 ? 2 
ATOM   3294 C C    . TYR   B 1 101 ? -13.268 6.8     19.009  1 29.8    ? 113 TYR   B C    1 ? 2 
ATOM   3295 O O    . TYR   B 1 101 ? -13.332 6.396   17.855  1 33.145  ? 113 TYR   B O    1 ? 2 
ATOM   3296 C CB   . TYR   B 1 101 ? -11.248 8.225   18.598  1 32.704  ? 113 TYR   B CB   1 ? 2 
ATOM   3297 C CG   . TYR   B 1 101 ? -10.699 9.634   18.67   1 33.94   ? 113 TYR   B CG   1 ? 2 
ATOM   3298 C CD1  . TYR   B 1 101 ? -11.11  10.606  17.755  1 34.485  ? 113 TYR   B CD1  1 ? 2 
ATOM   3299 C CD2  . TYR   B 1 101 ? -9.784  9.991   19.649  1 31.282  ? 113 TYR   B CD2  1 ? 2 
ATOM   3300 C CE1  . TYR   B 1 101 ? -10.564 11.886  17.77   1 35.033  ? 113 TYR   B CE1  1 ? 2 
ATOM   3301 C CE2  . TYR   B 1 101 ? -9.304  11.291  19.738  1 31.67   ? 113 TYR   B CE2  1 ? 2 
ATOM   3302 C CZ   . TYR   B 1 101 ? -9.675  12.229  18.789  1 32.603  ? 113 TYR   B CZ   1 ? 2 
ATOM   3303 O OH   . TYR   B 1 101 ? -9.151  13.482  18.879  1 33.727  ? 113 TYR   B OH   1 ? 2 
ATOM   3304 H H    . TYR   B 1 101 ? -11.892 7.955   21.217  1 30.584  ? 113 TYR   B H    1 c 2 
ATOM   3305 H HA   . TYR   B 1 101 ? -13.18  8.852   18.875  1 31.542  ? 113 TYR   B HA   1 c 2 
ATOM   3306 H HB2  . TYR   B 1 101 ? -10.628 7.608   19.046  1 32.588  ? 113 TYR   B HB2  1 c 2 
ATOM   3307 H HB3  . TYR   B 1 101 ? -11.343 7.96    17.656  1 34.056  ? 113 TYR   B HB3  1 c 2 
ATOM   3308 H HD1  . TYR   B 1 101 ? -11.698 10.365  17.058  1 35.472  ? 113 TYR   B HD1  1 c 2 
ATOM   3309 H HD2  . TYR   B 1 101 ? -9.526  9.357   20.298  1 31.083  ? 113 TYR   B HD2  1 c 2 
ATOM   3310 H HE1  . TYR   B 1 101 ? -10.849 12.535  17.15   1 35.667  ? 113 TYR   B HE1  1 c 2 
ATOM   3311 H HE2  . TYR   B 1 101 ? -8.673  11.517  20.399  1 31.346  ? 113 TYR   B HE2  1 c 2 
ATOM   3312 H HH   . TYR   B 1 101 ? -9.47   13.954  18.235  0 30      ? 113 TYR   B HH   1 c 2 
ATOM   3313 N N    . GLY   B 1 102 ? -13.697 6.108   20.055  1 30.564  ? 114 GLY   B N    1 ? 2 
ATOM   3314 C CA   . GLY   B 1 102 ? -14.605 4.967   19.95   1 32.649  ? 114 GLY   B CA   1 ? 2 
ATOM   3315 C C    . GLY   B 1 102 ? -13.978 3.758   19.23   1 32.885  ? 114 GLY   B C    1 ? 2 
ATOM   3316 O O    . GLY   B 1 102 ? -12.744 3.635   19.031  1 31.421  ? 114 GLY   B O    1 ? 2 
ATOM   3317 H H    . GLY   B 1 102 ? -13.408 6.348   20.888  1 29.587  ? 114 GLY   B H    1 c 2 
ATOM   3318 H HA2  . GLY   B 1 102 ? -14.881 4.696   20.857  1 31.298  ? 114 GLY   B HA2  1 c 2 
ATOM   3319 H HA3  . GLY   B 1 102 ? -15.414 5.25    19.463  1 32.554  ? 114 GLY   B HA3  1 c 2 
ATOM   3320 N N    . SER   B 1 103 ? -14.854 2.904   18.712  1 33.788  ? 115 SER   B N    1 ? 2 
ATOM   3321 C CA   . SER   B 1 103 ? -14.371 1.705   18.009  1 34.492  ? 115 SER   B CA   1 ? 2 
ATOM   3322 C C    . SER   B 1 103 ? -13.83  2.05    16.635  1 32.896  ? 115 SER   B C    1 ? 2 
ATOM   3323 O O    . SER   B 1 103 ? -13.043 1.293   16.056  1 37.765  ? 115 SER   B O    1 ? 2 
ATOM   3324 C CB   . SER   B 1 103 ? -15.456 0.644   17.962  1 37.678  ? 115 SER   B CB   1 ? 2 
ATOM   3325 O OG   . SER   B 1 103 ? -16.584 1.185   17.281  1 39.268  ? 115 SER   B OG   1 ? 2 
ATOM   3326 H H    . SER   B 1 103 ? -15.752 3.053   18.788  1 33.636  ? 115 SER   B H    1 c 2 
ATOM   3327 H HA   . SER   B 1 103 ? -13.618 1.337   18.533  1 34.108  ? 115 SER   B HA   1 c 2 
ATOM   3328 H HB2  . SER   B 1 103 ? -15.129 -0.144  17.489  1 38.674  ? 115 SER   B HB2  1 c 2 
ATOM   3329 H HB3  . SER   B 1 103 ? -15.709 0.388   18.869  1 36.63   ? 115 SER   B HB3  1 c 2 
ATOM   3330 H HG   . SER   B 1 103 ? -17.229 0.622   17.303  0 30      ? 115 SER   B HG   1 c 2 
ATOM   3331 N N    . ALA   B 1 104 ? -14.317 3.148   16.038  1 32.372  ? 116 ALA   B N    1 ? 2 
ATOM   3332 C CA   . ALA   B 1 104 ? -13.82  3.586   14.758  1 35.477  ? 116 ALA   B CA   1 ? 2 
ATOM   3333 C C    . ALA   B 1 104 ? -12.352 3.982   14.835  1 34.308  ? 116 ALA   B C    1 ? 2 
ATOM   3334 O O    . ALA   B 1 104 ? -11.589 3.772   13.879  1 35.897  ? 116 ALA   B O    1 ? 2 
ATOM   3335 C CB   . ALA   B 1 104 ? -14.654 4.72    14.188  1 37.738  ? 116 ALA   B CB   1 ? 2 
ATOM   3336 H H    . ALA   B 1 104 ? -14.982 3.628   16.441  1 32.102  ? 116 ALA   B H    1 c 2 
ATOM   3337 H HA   . ALA   B 1 104 ? -13.886 2.811   14.133  1 36.826  ? 116 ALA   B HA   1 c 2 
ATOM   3338 H HB1  . ALA   B 1 104 ? -15.57  4.42    14.059  1 37.667  ? 116 ALA   B HB1  1 c 2 
ATOM   3339 H HB2  . ALA   B 1 104 ? -14.647 5.472   14.802  1 35.885  ? 116 ALA   B HB2  1 c 2 
ATOM   3340 H HB3  . ALA   B 1 104 ? -14.285 5       13.333  1 38.556  ? 116 ALA   B HB3  1 c 2 
ATOM   3341 N N    . GLY   B 1 105 ? -12.009 4.618   15.939  1 33.068  ? 117 GLY   B N    1 ? 2 
ATOM   3342 C CA   . GLY   B 1 105 ? -10.741 5.289   16.097  1 32.439  ? 117 GLY   B CA   1 ? 2 
ATOM   3343 C C    . GLY   B 1 105 ? -10.6   6.449   15.121  1 34.821  ? 117 GLY   B C    1 ? 2 
ATOM   3344 O O    . GLY   B 1 105 ? -11.584 7.002   14.618  1 35.113  ? 117 GLY   B O    1 ? 2 
ATOM   3345 H H    . GLY   B 1 105 ? -12.599 4.643   16.637  1 31.64   ? 117 GLY   B H    1 c 2 
ATOM   3346 H HA2  . GLY   B 1 105 ? -10.667 5.625   17.021  1 31.43   ? 117 GLY   B HA2  1 c 2 
ATOM   3347 H HA3  . GLY   B 1 105 ? -10.013 4.641   15.949  1 33.606  ? 117 GLY   B HA3  1 c 2 
ATOM   3348 N N    . SER   B 1 106 ? -9.34   6.813   14.873  1 34.95   ? 118 SER   B N    1 ? 2 
ATOM   3349 C CA   . SER   B 1 106 ? -9.008  7.979   14.084  1 35.634  ? 118 SER   B CA   1 ? 2 
ATOM   3350 C C    . SER   B 1 106 ? -7.569  7.852   13.614  1 37.335  ? 118 SER   B C    1 ? 2 
ATOM   3351 O O    . SER   B 1 106 ? -6.679  8.562   14.075  1 36.398  ? 118 SER   B O    1 ? 2 
ATOM   3352 C CB   . SER   B 1 106 ? -9.218  9.279   14.858  1 36.096  ? 118 SER   B CB   1 ? 2 
ATOM   3353 O OG   . SER   B 1 106 ? -9.281  10.368  13.93   1 36.613  ? 118 SER   B OG   1 ? 2 
ATOM   3354 H H    . SER   B 1 106 ? -8.658  6.31    15.217  1 34.905  ? 118 SER   B H    1 c 2 
ATOM   3355 H HA   . SER   B 1 106 ? -9.595  7.992   13.285  1 37.21   ? 118 SER   B HA   1 c 2 
ATOM   3356 H HB2  . SER   B 1 106 ? -10.051 9.229   15.364  1 34.115  ? 118 SER   B HB2  1 c 2 
ATOM   3357 H HB3  . SER   B 1 106 ? -8.481  9.417   15.483  1 34.755  ? 118 SER   B HB3  1 c 2 
ATOM   3358 H HG   . SER   B 1 106 ? -9.344  11.099  14.397  0 30      ? 118 SER   B HG   1 c 2 
ATOM   3359 N N    . LEU   B 1 107 ? -7.376  6.941   12.66   1 38.412  ? 119 LEU   B N    1 ? 2 
ATOM   3360 C CA   . LEU   B 1 107 ? -6.071  6.631   12.113  1 39.546  ? 119 LEU   B CA   1 ? 2 
ATOM   3361 C C    . LEU   B 1 107 ? -5.567  7.801   11.264  1 44.24   ? 119 LEU   B C    1 ? 2 
ATOM   3362 O O    . LEU   B 1 107 ? -6.331  8.492   10.58   1 42.865  ? 119 LEU   B O    1 ? 2 
ATOM   3363 C CB   . LEU   B 1 107 ? -6.174  5.345   11.286  1 41.612  ? 119 LEU   B CB   1 ? 2 
ATOM   3364 C CG   . LEU   B 1 107 ? -6.385  4.067   12.099  1 40.508  ? 119 LEU   B CG   1 ? 2 
ATOM   3365 C CD1  . LEU   B 1 107 ? -6.429  2.855   11.185  1 40.975  ? 119 LEU   B CD1  1 ? 2 
ATOM   3366 C CD2  . LEU   B 1 107 ? -5.304  3.9     13.159  1 40.27   ? 119 LEU   B CD2  1 ? 2 
ATOM   3367 H H    . LEU   B 1 107 ? -8.101  6.486   12.338  1 38.562  ? 119 LEU   B H    1 c 2 
ATOM   3368 H HA   . LEU   B 1 107 ? -5.452  6.489   12.868  1 39.49   ? 119 LEU   B HA   1 c 2 
ATOM   3369 H HB2  . LEU   B 1 107 ? -6.925  5.442   10.657  1 42.382  ? 119 LEU   B HB2  1 c 2 
ATOM   3370 H HB3  . LEU   B 1 107 ? -5.349  5.247   10.759  1 43.749  ? 119 LEU   B HB3  1 c 2 
ATOM   3371 H HG   . LEU   B 1 107 ? -7.261  4.136   12.56   1 38.53   ? 119 LEU   B HG   1 c 2 
ATOM   3372 H HD11 . LEU   B 1 107 ? -7.135  2.969   10.526  1 42.268  ? 119 LEU   B HD11 1 c 2 
ATOM   3373 H HD12 . LEU   B 1 107 ? -6.605  2.057   11.711  1 40.894  ? 119 LEU   B HD12 1 c 2 
ATOM   3374 H HD13 . LEU   B 1 107 ? -5.575  2.76    10.729  1 43.368  ? 119 LEU   B HD13 1 c 2 
ATOM   3375 H HD21 . LEU   B 1 107 ? -5.479  4.503   13.901  1 38.274  ? 119 LEU   B HD21 1 c 2 
ATOM   3376 H HD22 . LEU   B 1 107 ? -4.435  4.106   12.773  1 41.624  ? 119 LEU   B HD22 1 c 2 
ATOM   3377 H HD23 . LEU   B 1 107 ? -5.305  2.983   13.482  1 39.988  ? 119 LEU   B HD23 1 c 2 
ATOM   3378 N N    . PRO   B 1 108 ? -4.233  7.943   11.147  1 47.326  ? 120 PRO   B N    1 ? 2 
ATOM   3379 C CA   . PRO   B 1 108 ? -3.288  7.023   11.772  1 48.091  ? 120 PRO   B CA   1 ? 2 
ATOM   3380 C C    . PRO   B 1 108 ? -2.922  7.345   13.215  1 46.463  ? 120 PRO   B C    1 ? 2 
ATOM   3381 O O    . PRO   B 1 108 ? -2.331  6.51    13.872  1 48.499  ? 120 PRO   B O    1 ? 2 
ATOM   3382 C CB   . PRO   B 1 108 ? -2.092  7.071   10.824  1 52.288  ? 120 PRO   B CB   1 ? 2 
ATOM   3383 C CG   . PRO   B 1 108 ? -2.132  8.487   10.288  1 52.882  ? 120 PRO   B CG   1 ? 2 
ATOM   3384 C CD   . PRO   B 1 108 ? -3.581  8.889   10.238  1 51.429  ? 120 PRO   B CD   1 ? 2 
ATOM   3385 H HA   . PRO   B 1 108 ? -3.653  6.118   11.739  1 47.842  ? 120 PRO   B HA   1 c 2 
ATOM   3386 H HB2  . PRO   B 1 108 ? -1.257  6.899   11.302  1 52.285  ? 120 PRO   B HB2  1 c 2 
ATOM   3387 H HB3  . PRO   B 1 108 ? -2.191  6.419   10.103  1 53.604  ? 120 PRO   B HB3  1 c 2 
ATOM   3388 H HG2  . PRO   B 1 108 ? -1.633  9.09    10.874  1 52.503  ? 120 PRO   B HG2  1 c 2 
ATOM   3389 H HG3  . PRO   B 1 108 ? -1.738  8.527   9.393   1 55.64   ? 120 PRO   B HG3  1 c 2 
ATOM   3390 H HD2  . PRO   B 1 108 ? -3.705  9.807   10.547  1 50.299  ? 120 PRO   B HD2  1 c 2 
ATOM   3391 H HD3  . PRO   B 1 108 ? -3.942  8.802   9.334   1 52.65   ? 120 PRO   B HD3  1 c 2 
ATOM   3392 N N    . LYS   B 1 109 ? -3.367  8.453   13.793  1 49.522  ? 121 LYS   B N    1 ? 2 
ATOM   3393 C CA   . LYS   B 1 109 ? -2.921  8.761   15.147  1 46.532  ? 121 LYS   B CA   1 ? 2 
ATOM   3394 C C    . LYS   B 1 109 ? -3.562  7.898   16.22   1 43.384  ? 121 LYS   B C    1 ? 2 
ATOM   3395 O O    . LYS   B 1 109 ? -2.913  7.611   17.215  1 42.292  ? 121 LYS   B O    1 ? 2 
ATOM   3396 C CB   . LYS   B 1 109 ? -3.142  10.223  15.558  1 51.688  ? 121 LYS   B CB   1 ? 2 
ATOM   3397 C CG   . LYS   B 1 109 ? -2.075  11.186  14.952  1 58.11   ? 121 LYS   B CG   1 ? 2 
ATOM   3398 C CD   . LYS   B 1 109 ? -1.892  12.431  15.823  1 61.446  ? 121 LYS   B CD   1 ? 2 
ATOM   3399 C CE   . LYS   B 1 109 ? -0.571  13.133  15.692  1 66.246  ? 121 LYS   B CE   1 ? 2 
ATOM   3400 N NZ   . LYS   B 1 109 ? -0.562  13.805  14.399  1 72.243  ? 121 LYS   B NZ   1 ? 2 
ATOM   3401 H H    . LYS   B 1 109 ? -3.941  9.019   13.362  1 48.054  ? 121 LYS   B H    1 c 2 
ATOM   3402 H HA   . LYS   B 1 109 ? -1.944  8.601   15.182  1 48.947  ? 121 LYS   B HA   1 c 2 
ATOM   3403 H HB2  . LYS   B 1 109 ? -4.032  10.51   15.261  1 50.447  ? 121 LYS   B HB2  1 c 2 
ATOM   3404 H HB3  . LYS   B 1 109 ? -3.112  10.291  16.536  1 49.542  ? 121 LYS   B HB3  1 c 2 
ATOM   3405 H HG2  . LYS   B 1 109 ? -1.219  10.711  14.877  1 59.278  ? 121 LYS   B HG2  1 c 2 
ATOM   3406 H HG3  . LYS   B 1 109 ? -2.361  11.455  14.052  1 59.4    ? 121 LYS   B HG3  1 c 2 
ATOM   3407 H HD2  . LYS   B 1 109 ? -2.607  13.067  15.606  1 60.697  ? 121 LYS   B HD2  1 c 2 
ATOM   3408 H HD3  . LYS   B 1 109 ? -2.014  12.174  16.763  1 59.149  ? 121 LYS   B HD3  1 c 2 
ATOM   3409 H HE2  . LYS   B 1 109 ? -0.462  13.79   16.402  1 65.842  ? 121 LYS   B HE2  1 c 2 
ATOM   3410 H HE3  . LYS   B 1 109 ? 0.162   12.493  15.734  1 67.309  ? 121 LYS   B HE3  1 c 2 
ATOM   3411 H HZ1  . LYS   B 1 109 ? -1.151  14.492  14.407  1 70.566  ? 121 LYS   B HZ1  1 c 2 
ATOM   3412 H HZ2  . LYS   B 1 109 ? -0.786  13.227  13.737  1 71.566  ? 121 LYS   B HZ2  1 c 2 
ATOM   3413 H HZ3  . LYS   B 1 109 ? 0.266   14.132  14.234  1 72.932  ? 121 LYS   B HZ3  1 c 2 
ATOM   3414 N N    . ILE   B 1 110 ? -4.869  7.636   16.125  1 38.595  ? 122 ILE   B N    1 ? 2 
ATOM   3415 C CA   . ILE   B 1 110 ? -5.566  6.993   17.191  1 36.397  ? 122 ILE   B CA   1 ? 2 
ATOM   3416 C C    . ILE   B 1 110 ? -6.141  5.68    16.686  1 38.491  ? 122 ILE   B C    1 ? 2 
ATOM   3417 O O    . ILE   B 1 110 ? -6.989  5.704   15.794  1 35.006  ? 122 ILE   B O    1 ? 2 
ATOM   3418 C CB   . ILE   B 1 110 ? -6.725  7.851   17.753  1 37.777  ? 122 ILE   B CB   1 ? 2 
ATOM   3419 C CG1  . ILE   B 1 110 ? -6.323  9.327   18.002  1 40.162  ? 122 ILE   B CG1  1 ? 2 
ATOM   3420 C CG2  . ILE   B 1 110 ? -7.262  7.185   19.021  1 35.844  ? 122 ILE   B CG2  1 ? 2 
ATOM   3421 C CD1  . ILE   B 1 110 ? -5.292  9.481   19.098  1 41.433  ? 122 ILE   B CD1  1 ? 2 
ATOM   3422 H H    . ILE   B 1 110 ? -5.329  7.871   15.371  1 40.073  ? 122 ILE   B H    1 c 2 
ATOM   3423 H HA   . ILE   B 1 110 ? -4.939  6.811   17.914  1 37.053  ? 122 ILE   B HA   1 c 2 
ATOM   3424 H HB   . ILE   B 1 110 ? -7.443  7.851   17.089  1 37.837  ? 122 ILE   B HB   1 c 2 
ATOM   3425 H HG12 . ILE   B 1 110 ? -5.965  9.705   17.173  1 41.422  ? 122 ILE   B HG12 1 c 2 
ATOM   3426 H HG13 . ILE   B 1 110 ? -7.123  9.836   18.245  1 39.016  ? 122 ILE   B HG13 1 c 2 
ATOM   3427 H HG21 . ILE   B 1 110 ? -7.838  7.808   19.496  1 34.761  ? 122 ILE   B HG21 1 c 2 
ATOM   3428 H HG22 . ILE   B 1 110 ? -6.52   6.93    19.596  1 35.84   ? 122 ILE   B HG22 1 c 2 
ATOM   3429 H HG23 . ILE   B 1 110 ? -7.773  6.393   18.784  1 35.919  ? 122 ILE   B HG23 1 c 2 
ATOM   3430 H HD11 . ILE   B 1 110 ? -5.649  9.142   19.941  1 39.534  ? 122 ILE   B HD11 1 c 2 
ATOM   3431 H HD12 . ILE   B 1 110 ? -5.074  10.427  19.198  1 41.078  ? 122 ILE   B HD12 1 c 2 
ATOM   3432 H HD13 . ILE   B 1 110 ? -4.484  8.986   18.866  1 41.968  ? 122 ILE   B HD13 1 c 2 
ATOM   3433 N N    . PRO   B 1 111 ? -5.808  4.547   17.318  1 38.13   ? 123 PRO   B N    1 ? 2 
ATOM   3434 C CA   . PRO   B 1 111 ? -6.397  3.286   16.906  1 39.78   ? 123 PRO   B CA   1 ? 2 
ATOM   3435 C C    . PRO   B 1 111 ? -7.78   3.063   17.503  1 35.984  ? 123 PRO   B C    1 ? 2 
ATOM   3436 O O    . PRO   B 1 111 ? -8.266  3.799   18.359  1 34.271  ? 123 PRO   B O    1 ? 2 
ATOM   3437 C CB   . PRO   B 1 111 ? -5.337  2.279   17.324  1 42.134  ? 123 PRO   B CB   1 ? 2 
ATOM   3438 C CG   . PRO   B 1 111 ? -4.725  2.914   18.561  1 42.318  ? 123 PRO   B CG   1 ? 2 
ATOM   3439 C CD   . PRO   B 1 111 ? -4.782  4.404   18.371  1 39.704  ? 123 PRO   B CD   1 ? 2 
ATOM   3440 H HA   . PRO   B 1 111 ? -6.469  3.271   15.929  1 40.745  ? 123 PRO   B HA   1 c 2 
ATOM   3441 H HB2  . PRO   B 1 111 ? -5.738  1.413   17.535  1 42.176  ? 123 PRO   B HB2  1 c 2 
ATOM   3442 H HB3  . PRO   B 1 111 ? -4.668  2.162   16.621  1 43.952  ? 123 PRO   B HB3  1 c 2 
ATOM   3443 H HG2  . PRO   B 1 111 ? -5.226  2.657   19.361  1 40.246  ? 123 PRO   B HG2  1 c 2 
ATOM   3444 H HG3  . PRO   B 1 111 ? -3.797  2.624   18.671  1 42.652  ? 123 PRO   B HG3  1 c 2 
ATOM   3445 H HD2  . PRO   B 1 111 ? -5.057  4.86    19.191  1 38.16   ? 123 PRO   B HD2  1 c 2 
ATOM   3446 H HD3  . PRO   B 1 111 ? -3.923  4.76    18.073  1 40.822  ? 123 PRO   B HD3  1 c 2 
ATOM   3447 N N    . SER   B 1 112 ? -8.421  2.018   17.018  1 35.978  ? 124 SER   B N    1 ? 2 
ATOM   3448 C CA   . SER   B 1 112 ? -9.697  1.584   17.514  1 33.831  ? 124 SER   B CA   1 ? 2 
ATOM   3449 C C    . SER   B 1 112 ? -9.617  1.291   19.018  1 33.286  ? 124 SER   B C    1 ? 2 
ATOM   3450 O O    . SER   B 1 112 ? -8.666  0.695   19.486  1 30.681  ? 124 SER   B O    1 ? 2 
ATOM   3451 C CB   . SER   B 1 112 ? -10.15  0.372   16.727  1 35.787  ? 124 SER   B CB   1 ? 2 
ATOM   3452 O OG   . SER   B 1 112 ? -11.357 -0.123  17.298  1 35.577  ? 124 SER   B OG   1 ? 2 
ATOM   3453 H H    . SER   B 1 112 ? -8.038  1.547   16.335  1 37.547  ? 124 SER   B H    1 c 2 
ATOM   3454 H HA   . SER   B 1 112 ? -10.349 2.316   17.37   1 33.572  ? 124 SER   B HA   1 c 2 
ATOM   3455 H HB2  . SER   B 1 112 ? -10.303 0.624   15.798  1 36.938  ? 124 SER   B HB2  1 c 2 
ATOM   3456 H HB3  . SER   B 1 112 ? -9.461  -0.318  16.758  1 36.875  ? 124 SER   B HB3  1 c 2 
ATOM   3457 H HG   . SER   B 1 112 ? -11.676 -0.76   16.853  0 30      ? 124 SER   B HG   1 c 2 
ATOM   3458 N N    . ASN   B 1 113 ? -10.622 1.762   19.762  1 31.149  ? 125 ASN   B N    1 ? 2 
ATOM   3459 C CA   . ASN   B 1 113 ? -10.774 1.399   21.152  1 37.76   ? 125 ASN   B CA   1 ? 2 
ATOM   3460 C C    . ASN   B 1 113 ? -9.585  1.874   22.006  1 36.141  ? 125 ASN   B C    1 ? 2 
ATOM   3461 O O    . ASN   B 1 113 ? -9.116  1.142   22.883  1 35.251  ? 125 ASN   B O    1 ? 2 
ATOM   3462 C CB   . ASN   B 1 113 ? -10.998 -0.113  21.305  1 36.292  ? 125 ASN   B CB   1 ? 2 
ATOM   3463 C CG   . ASN   B 1 113 ? -12.341 -0.555  20.76   1 36.917  ? 125 ASN   B CG   1 ? 2 
ATOM   3464 O OD1  . ASN   B 1 113 ? -12.5   -1.713  20.391  1 42.563  ? 125 ASN   B OD1  1 ? 2 
ATOM   3465 N ND2  . ASN   B 1 113 ? -13.324 0.318   20.754  1 35.621  ? 125 ASN   B ND2  1 ? 2 
ATOM   3466 H H    . ASN   B 1 113 ? -11.233 2.329   19.386  1 32.527  ? 125 ASN   B H    1 c 2 
ATOM   3467 H HA   . ASN   B 1 113 ? -11.575 1.85    21.491  1 34.46   ? 125 ASN   B HA   1 c 2 
ATOM   3468 H HB2  . ASN   B 1 113 ? -10.289 -0.596  20.838  1 37.98   ? 125 ASN   B HB2  1 c 2 
ATOM   3469 H HB3  . ASN   B 1 113 ? -10.95  -0.349  22.252  1 36.391  ? 125 ASN   B HB3  1 c 2 
ATOM   3470 H HD21 . ASN   B 1 113 ? -14.076 0.113   20.335  1 36.256  ? 125 ASN   B HD21 1 c 2 
ATOM   3471 H HD22 . ASN   B 1 113 ? -13.265 1.087   21.185  1 34.64   ? 125 ASN   B HD22 1 c 2 
ATOM   3472 N N    . ALA   B 1 114 ? -9.141  3.095   21.786  1 31.518  ? 126 ALA   B N    1 ? 2 
ATOM   3473 C CA   . ALA   B 1 114 ? -7.967  3.57    22.479  1 35.398  ? 126 ALA   B CA   1 ? 2 
ATOM   3474 C C    . ALA   B 1 114 ? -8.377  4.286   23.776  1 32.288  ? 126 ALA   B C    1 ? 2 
ATOM   3475 O O    . ALA   B 1 114 ? -9.299  5.101   23.75   1 30.399  ? 126 ALA   B O    1 ? 2 
ATOM   3476 C CB   . ALA   B 1 114 ? -7.154  4.461   21.57   1 32.378  ? 126 ALA   B CB   1 ? 2 
ATOM   3477 H H    . ALA   B 1 114 ? -9.575  3.65    21.202  1 33.209  ? 126 ALA   B H    1 c 2 
ATOM   3478 H HA   . ALA   B 1 114 ? -7.412  2.78    22.725  1 34.416  ? 126 ALA   B HA   1 c 2 
ATOM   3479 H HB1  . ALA   B 1 114 ? -6.873  3.959   20.786  1 34.668  ? 126 ALA   B HB1  1 c 2 
ATOM   3480 H HB2  . ALA   B 1 114 ? -7.692  5.22    21.289  1 32.923  ? 126 ALA   B HB2  1 c 2 
ATOM   3481 H HB3  . ALA   B 1 114 ? -6.369  4.782   22.044  1 33.54   ? 126 ALA   B HB3  1 c 2 
ATOM   3482 N N    . THR   B 1 115 ? -7.641  4.013   24.873  1 31.751  ? 127 THR   B N    1 ? 2 
ATOM   3483 C CA   . THR   B 1 115 ? -7.694  4.859   26.062  1 27.728  ? 127 THR   B CA   1 ? 2 
ATOM   3484 C C    . THR   B 1 115 ? -6.659  5.992   25.965  1 27.824  ? 127 THR   B C    1 ? 2 
ATOM   3485 O O    . THR   B 1 115 ? -5.513  5.744   25.613  1 32.093  ? 127 THR   B O    1 ? 2 
ATOM   3486 C CB   . THR   B 1 115 ? -7.439  3.965   27.274  1 29.97   ? 127 THR   B CB   1 ? 2 
ATOM   3487 O OG1  . THR   B 1 115 ? -8.608  3.154   27.323  1 29.8    ? 127 THR   B OG1  1 ? 2 
ATOM   3488 C CG2  . THR   B 1 115 ? -7.411  4.73    28.601  1 29.655  ? 127 THR   B CG2  1 ? 2 
ATOM   3489 H H    . THR   B 1 115 ? -7.094  3.28    24.876  1 32.085  ? 127 THR   B H    1 c 2 
ATOM   3490 H HA   . THR   B 1 115 ? -8.592  5.244   26.135  1 27.814  ? 127 THR   B HA   1 c 2 
ATOM   3491 H HB   . THR   B 1 115 ? -6.635  3.404   27.156  1 30.816  ? 127 THR   B HB   1 c 2 
ATOM   3492 H HG1  . THR   B 1 115 ? -9.327  3.636   27.446  0 30      ? 127 THR   B HG1  1 c 2 
ATOM   3493 H HG21 . THR   B 1 115 ? -7.291  4.103   29.334  1 30.051  ? 127 THR   B HG21 1 c 2 
ATOM   3494 H HG22 . THR   B 1 115 ? -8.249  5.207   28.719  1 28.754  ? 127 THR   B HG22 1 c 2 
ATOM   3495 H HG23 . THR   B 1 115 ? -6.675  5.365   28.597  1 29.867  ? 127 THR   B HG23 1 c 2 
ATOM   3496 N N    . LEU   B 1 116 ? -7.065  7.215   26.284  1 27.071  ? 128 LEU   B N    1 ? 2 
ATOM   3497 C CA   . LEU   B 1 116 ? -6.252  8.429   26.195  1 29.462  ? 128 LEU   B CA   1 ? 2 
ATOM   3498 C C    . LEU   B 1 116 ? -5.992  8.995   27.596  1 28.387  ? 128 LEU   B C    1 ? 2 
ATOM   3499 O O    . LEU   B 1 116 ? -6.892  8.933   28.427  1 28.61   ? 128 LEU   B O    1 ? 2 
ATOM   3500 C CB   . LEU   B 1 116 ? -6.919  9.523   25.35   1 33.139  ? 128 LEU   B CB   1 ? 2 
ATOM   3501 C CG   . LEU   B 1 116 ? -7.432  9.144   23.939  1 36.528  ? 128 LEU   B CG   1 ? 2 
ATOM   3502 C CD1  . LEU   B 1 116 ? -7.694  10.448  23.173  1 37.191  ? 128 LEU   B CD1  1 ? 2 
ATOM   3503 C CD2  . LEU   B 1 116 ? -6.506  8.263   23.167  1 36.217  ? 128 LEU   B CD2  1 ? 2 
ATOM   3504 H H    . LEU   B 1 116 ? -7.923  7.307   26.586  1 26.726  ? 128 LEU   B H    1 c 2 
ATOM   3505 H HA   . LEU   B 1 116 ? -5.382  8.192   25.786  1 30.588  ? 128 LEU   B HA   1 c 2 
ATOM   3506 H HB2  . LEU   B 1 116 ? -7.679  9.881   25.864  1 31.987  ? 128 LEU   B HB2  1 c 2 
ATOM   3507 H HB3  . LEU   B 1 116 ? -6.275  10.262  25.253  1 33.436  ? 128 LEU   B HB3  1 c 2 
ATOM   3508 H HG   . LEU   B 1 116 ? -8.296  8.668   24.042  1 35.071  ? 128 LEU   B HG   1 c 2 
ATOM   3509 H HD11 . LEU   B 1 116 ? -8.34   10.987  23.659  1 36.4    ? 128 LEU   B HD11 1 c 2 
ATOM   3510 H HD12 . LEU   B 1 116 ? -8.044  10.241  22.29   1 37.476  ? 128 LEU   B HD12 1 c 2 
ATOM   3511 H HD13 . LEU   B 1 116 ? -6.863  10.945  23.081  1 37.832  ? 128 LEU   B HD13 1 c 2 
ATOM   3512 H HD21 . LEU   B 1 116 ? -6.461  7.388   23.586  1 36.524  ? 128 LEU   B HD21 1 c 2 
ATOM   3513 H HD22 . LEU   B 1 116 ? -5.619  8.659   23.15   1 37.447  ? 128 LEU   B HD22 1 c 2 
ATOM   3514 H HD23 . LEU   B 1 116 ? -6.834  8.167   22.256  1 37.123  ? 128 LEU   B HD23 1 c 2 
ATOM   3515 N N    . PHE   B 1 117 ? -4.842  9.671   27.732  1 31.542  ? 129 PHE   B N    1 ? 2 
ATOM   3516 C CA   . PHE   B 1 117 ? -4.415  10.402  28.914  1 28.453  ? 129 PHE   B CA   1 ? 2 
ATOM   3517 C C    . PHE   B 1 117 ? -4.078  11.824  28.515  1 31.039  ? 129 PHE   B C    1 ? 2 
ATOM   3518 O O    . PHE   B 1 117 ? -3.351  12.041  27.519  1 30.881  ? 129 PHE   B O    1 ? 2 
ATOM   3519 C CB   . PHE   B 1 117 ? -3.223  9.705   29.546  1 29.132  ? 129 PHE   B CB   1 ? 2 
ATOM   3520 C CG   . PHE   B 1 117 ? -2.622  10.538  30.67   1 33.238  ? 129 PHE   B CG   1 ? 2 
ATOM   3521 C CD1  . PHE   B 1 117 ? -1.623  11.468  30.406  1 38.332  ? 129 PHE   B CD1  1 ? 2 
ATOM   3522 C CD2  . PHE   B 1 117 ? -3.114  10.45   31.963  1 33.134  ? 129 PHE   B CD2  1 ? 2 
ATOM   3523 C CE1  . PHE   B 1 117 ? -1.14   12.281  31.429  1 42.025  ? 129 PHE   B CE1  1 ? 2 
ATOM   3524 C CE2  . PHE   B 1 117 ? -2.58   11.208  32.994  1 36.737  ? 129 PHE   B CE2  1 ? 2 
ATOM   3525 C CZ   . PHE   B 1 117 ? -1.644  12.165  32.711  1 37.596  ? 129 PHE   B CZ   1 ? 2 
ATOM   3526 H H    . PHE   B 1 117 ? -4.274  9.673   27.016  1 31.009  ? 129 PHE   B H    1 c 2 
ATOM   3527 H HA   . PHE   B 1 117 ? -5.161  10.415  29.567  1 28.55   ? 129 PHE   B HA   1 c 2 
ATOM   3528 H HB2  . PHE   B 1 117 ? -3.513  8.837   29.904  1 29.728  ? 129 PHE   B HB2  1 c 2 
ATOM   3529 H HB3  . PHE   B 1 117 ? -2.541  9.551   28.855  1 30.889  ? 129 PHE   B HB3  1 c 2 
ATOM   3530 H HD1  . PHE   B 1 117 ? -1.308  11.581  29.523  1 38.392  ? 129 PHE   B HD1  1 c 2 
ATOM   3531 H HD2  . PHE   B 1 117 ? -3.785  9.815   32.156  1 32.951  ? 129 PHE   B HD2  1 c 2 
ATOM   3532 H HE1  . PHE   B 1 117 ? -0.458  12.906  31.248  1 41.449  ? 129 PHE   B HE1  1 c 2 
ATOM   3533 H HE2  . PHE   B 1 117 ? -2.934  11.135  33.866  1 35.948  ? 129 PHE   B HE2  1 c 2 
ATOM   3534 H HZ   . PHE   B 1 117 ? -1.272  12.679  33.41   1 39.431  ? 129 PHE   B HZ   1 c 2 
ATOM   3535 N N    . PHE   B 1 118 ? -4.551  12.789  29.317  1 31.087  ? 130 PHE   B N    1 ? 2 
ATOM   3536 C CA   . PHE   B 1 118 ? -4.125  14.162  29.129  1 36.046  ? 130 PHE   B CA   1 ? 2 
ATOM   3537 C C    . PHE   B 1 118 ? -3.797  14.838  30.455  1 36.551  ? 130 PHE   B C    1 ? 2 
ATOM   3538 O O    . PHE   B 1 118 ? -4.378  14.529  31.513  1 34.268  ? 130 PHE   B O    1 ? 2 
ATOM   3539 C CB   . PHE   B 1 118 ? -5.193  15.042  28.468  1 32.36   ? 130 PHE   B CB   1 ? 2 
ATOM   3540 C CG   . PHE   B 1 118 ? -5.607  14.688  27.065  1 31.955  ? 130 PHE   B CG   1 ? 2 
ATOM   3541 C CD1  . PHE   B 1 118 ? -6.588  13.699  26.858  1 32.916  ? 130 PHE   B CD1  1 ? 2 
ATOM   3542 C CD2  . PHE   B 1 118 ? -5.074  15.368  25.97   1 33.233  ? 130 PHE   B CD2  1 ? 2 
ATOM   3543 C CE1  . PHE   B 1 118 ? -6.995  13.393  25.578  1 35.785  ? 130 PHE   B CE1  1 ? 2 
ATOM   3544 C CE2  . PHE   B 1 118 ? -5.494  15.056  24.689  1 35.355  ? 130 PHE   B CE2  1 ? 2 
ATOM   3545 C CZ   . PHE   B 1 118 ? -6.426  14.052  24.493  1 34.629  ? 130 PHE   B CZ   1 ? 2 
ATOM   3546 H H    . PHE   B 1 118 ? -5.143  12.589  29.984  1 31.111  ? 130 PHE   B H    1 c 2 
ATOM   3547 H HA   . PHE   B 1 118 ? -3.314  14.167  28.56   1 35.563  ? 130 PHE   B HA   1 c 2 
ATOM   3548 H HB2  . PHE   B 1 118 ? -5.993  15.025  29.038  1 32.179  ? 130 PHE   B HB2  1 c 2 
ATOM   3549 H HB3  . PHE   B 1 118 ? -4.864  15.968  28.467  1 33.904  ? 130 PHE   B HB3  1 c 2 
ATOM   3550 H HD1  . PHE   B 1 118 ? -6.959  13.242  27.596  1 32.281  ? 130 PHE   B HD1  1 c 2 
ATOM   3551 H HD2  . PHE   B 1 118 ? -4.426  16.041  26.105  1 34.808  ? 130 PHE   B HD2  1 c 2 
ATOM   3552 H HE1  . PHE   B 1 118 ? -7.635  12.715  25.436  1 33.789  ? 130 PHE   B HE1  1 c 2 
ATOM   3553 H HE2  . PHE   B 1 118 ? -5.115  15.5    23.948  1 36.142  ? 130 PHE   B HE2  1 c 2 
ATOM   3554 H HZ   . PHE   B 1 118 ? -6.712  13.845  23.618  1 35.273  ? 130 PHE   B HZ   1 c 2 
ATOM   3555 N N    . GLU   B 1 119 ? -2.831  15.761  30.363  1 37.097  ? 131 GLU   B N    1 ? 2 
ATOM   3556 C CA   . GLU   B 1 119 ? -2.609  16.778  31.389  1 34.373  ? 131 GLU   B CA   1 ? 2 
ATOM   3557 C C    . GLU   B 1 119 ? -3.118  18.07   30.754  1 36.958  ? 131 GLU   B C    1 ? 2 
ATOM   3558 O O    . GLU   B 1 119 ? -2.671  18.447  29.652  1 44.602  ? 131 GLU   B O    1 ? 2 
ATOM   3559 C CB   . GLU   B 1 119 ? -1.147  16.79   31.817  1 37.307  ? 131 GLU   B CB   1 ? 2 
ATOM   3560 C CG   . GLU   B 1 119 ? -0.761  17.877  32.834  1 39.581  ? 131 GLU   B CG   1 ? 2 
ATOM   3561 C CD   . GLU   B 1 119 ? 0.66    17.856  33.329  1 38.629  ? 131 GLU   B CD   1 ? 2 
ATOM   3562 O OE1  . GLU   B 1 119 ? 0.972   17.116  34.259  1 39.45   ? 131 GLU   B OE1  1 ? 2 
ATOM   3563 O OE2  . GLU   B 1 119 ? 1.485   18.627  32.748  1 40.408  ? 131 GLU   B OE2  1 ? 2 
ATOM   3564 H H    . GLU   B 1 119 ? -2.283  15.757  29.631  1 37.172  ? 131 GLU   B H    1 c 2 
ATOM   3565 H HA   . GLU   B 1 119 ? -3.17   16.561  32.173  1 34.991  ? 131 GLU   B HA   1 c 2 
ATOM   3566 H HB2  . GLU   B 1 119 ? -0.929  15.916  32.204  1 37.056  ? 131 GLU   B HB2  1 c 2 
ATOM   3567 H HB3  . GLU   B 1 119 ? -0.59   16.905  31.019  1 38.04   ? 131 GLU   B HB3  1 c 2 
ATOM   3568 H HG2  . GLU   B 1 119 ? -0.928  18.755  32.43   1 39.039  ? 131 GLU   B HG2  1 c 2 
ATOM   3569 H HG3  . GLU   B 1 119 ? -1.355  17.803  33.611  1 37.976  ? 131 GLU   B HG3  1 c 2 
ATOM   3570 N N    . ILE   B 1 120 ? -4.049  18.752  31.437  1 37.128  ? 132 ILE   B N    1 ? 2 
ATOM   3571 C CA   . ILE   B 1 120 ? -4.581  19.994  30.903  1 38      ? 132 ILE   B CA   1 ? 2 
ATOM   3572 C C    . ILE   B 1 120 ? -4.409  21.144  31.88   1 38.073  ? 132 ILE   B C    1 ? 2 
ATOM   3573 O O    . ILE   B 1 120 ? -4.777  20.991  33.039  1 34.54   ? 132 ILE   B O    1 ? 2 
ATOM   3574 C CB   . ILE   B 1 120 ? -6.083  19.818  30.584  1 37.3    ? 132 ILE   B CB   1 ? 2 
ATOM   3575 C CG1  . ILE   B 1 120 ? -6.32   18.633  29.652  1 37.382  ? 132 ILE   B CG1  1 ? 2 
ATOM   3576 C CG2  . ILE   B 1 120 ? -6.61   21.133  30.009  1 38.1    ? 132 ILE   B CG2  1 ? 2 
ATOM   3577 C CD1  . ILE   B 1 120 ? -7.799  18.326  29.422  1 36.816  ? 132 ILE   B CD1  1 ? 2 
ATOM   3578 H H    . ILE   B 1 120 ? -4.354  18.442  32.241  1 36.535  ? 132 ILE   B H    1 c 2 
ATOM   3579 H HA   . ILE   B 1 120 ? -4.112  20.21   30.076  1 38.593  ? 132 ILE   B HA   1 c 2 
ATOM   3580 H HB   . ILE   B 1 120 ? -6.553  19.641  31.423  1 36.827  ? 132 ILE   B HB   1 c 2 
ATOM   3581 H HG12 . ILE   B 1 120 ? -5.899  18.821  28.788  1 37.859  ? 132 ILE   B HG12 1 c 2 
ATOM   3582 H HG13 . ILE   B 1 120 ? -5.89   17.839  30.03   1 36.804  ? 132 ILE   B HG13 1 c 2 
ATOM   3583 H HG21 . ILE   B 1 120 ? -7.53   21.018  29.718  1 37.435  ? 132 ILE   B HG21 1 c 2 
ATOM   3584 H HG22 . ILE   B 1 120 ? -6.064  21.398  29.25   1 39.05   ? 132 ILE   B HG22 1 c 2 
ATOM   3585 H HG23 . ILE   B 1 120 ? -6.575  21.827  30.688  1 39.079  ? 132 ILE   B HG23 1 c 2 
ATOM   3586 H HD11 . ILE   B 1 120 ? -8.256  18.262  30.282  1 36.196  ? 132 ILE   B HD11 1 c 2 
ATOM   3587 H HD12 . ILE   B 1 120 ? -7.884  17.477  28.947  1 35.822  ? 132 ILE   B HD12 1 c 2 
ATOM   3588 H HD13 . ILE   B 1 120 ? -8.207  19.035  28.891  1 37.066  ? 132 ILE   B HD13 1 c 2 
ATOM   3589 N N    . GLU   B 1 121 ? -3.92   22.293  31.369  1 41.996  ? 133 GLU   B N    1 ? 2 
ATOM   3590 C CA   . GLU   B 1 121 ? -3.957  23.539  32.125  1 41.541  ? 133 GLU   B CA   1 ? 2 
ATOM   3591 C C    . GLU   B 1 121 ? -4.997  24.487  31.521  1 39.774  ? 133 GLU   B C    1 ? 2 
ATOM   3592 O O    . GLU   B 1 121 ? -4.893  24.851  30.346  1 43.652  ? 133 GLU   B O    1 ? 2 
ATOM   3593 C CB   . GLU   B 1 121 ? -2.587  24.236  32.166  1 43.167  ? 133 GLU   B CB   1 ? 2 
ATOM   3594 C CG   . GLU   B 1 121 ? -2.553  25.544  32.962  1 46.509  ? 133 GLU   B CG   1 ? 2 
ATOM   3595 C CD   . GLU   B 1 121 ? -1.187  26.222  33.09   1 48.797  ? 133 GLU   B CD   1 ? 2 
ATOM   3596 O OE1  . GLU   B 1 121 ? -0.21   25.524  32.759  1 50.177  ? 133 GLU   B OE1  1 ? 2 
ATOM   3597 O OE2  . GLU   B 1 121 ? -1.086  27.409  33.418  1 48.485  ? 133 GLU   B OE2  1 ? 2 
ATOM   3598 H H    . GLU   B 1 121 ? -3.554  22.296  30.531  1 41.381  ? 133 GLU   B H    1 c 2 
ATOM   3599 H HA   . GLU   B 1 121 ? -4.221  23.33   33.054  1 40.991  ? 133 GLU   B HA   1 c 2 
ATOM   3600 H HB2  . GLU   B 1 121 ? -1.933  23.616  32.548  1 43.647  ? 133 GLU   B HB2  1 c 2 
ATOM   3601 H HB3  . GLU   B 1 121 ? -2.309  24.43   31.247  1 44.205  ? 133 GLU   B HB3  1 c 2 
ATOM   3602 H HG2  . GLU   B 1 121 ? -3.17   26.181  32.547  1 46.428  ? 133 GLU   B HG2  1 c 2 
ATOM   3603 H HG3  . GLU   B 1 121 ? -2.89   25.368  33.866  1 45.667  ? 133 GLU   B HG3  1 c 2 
ATOM   3604 N N    . LEU   B 1 122 ? -5.995  24.858  32.323  1 42.259  ? 134 LEU   B N    1 ? 2 
ATOM   3605 C CA   . LEU   B 1 122 ? -6.998  25.854  31.937  1 44.811  ? 134 LEU   B CA   1 ? 2 
ATOM   3606 C C    . LEU   B 1 122 ? -6.429  27.253  32.161  1 46.986  ? 134 LEU   B C    1 ? 2 
ATOM   3607 O O    . LEU   B 1 122 ? -6.267  27.69   33.3    1 52.753  ? 134 LEU   B O    1 ? 2 
ATOM   3608 C CB   . LEU   B 1 122 ? -8.322  25.704  32.704  1 48.076  ? 134 LEU   B CB   1 ? 2 
ATOM   3609 C CG   . LEU   B 1 122 ? -9.437  26.684  32.302  1 46.324  ? 134 LEU   B CG   1 ? 2 
ATOM   3610 C CD1  . LEU   B 1 122 ? -9.639  26.696  30.771  1 46.167  ? 134 LEU   B CD1  1 ? 2 
ATOM   3611 C CD2  . LEU   B 1 122 ? -10.702 26.309  33.045  1 49.149  ? 134 LEU   B CD2  1 ? 2 
ATOM   3612 H H    . LEU   B 1 122 ? -6.061  24.477  33.152  1 41.459  ? 134 LEU   B H    1 c 2 
ATOM   3613 H HA   . LEU   B 1 122 ? -7.176  25.742  30.971  1 44.646  ? 134 LEU   B HA   1 c 2 
ATOM   3614 H HB2  . LEU   B 1 122 ? -8.653  24.785  32.57   1 44.669  ? 134 LEU   B HB2  1 c 2 
ATOM   3615 H HB3  . LEU   B 1 122 ? -8.138  25.819  33.664  1 46.961  ? 134 LEU   B HB3  1 c 2 
ATOM   3616 H HG   . LEU   B 1 122 ? -9.17   27.596  32.587  1 49.392  ? 134 LEU   B HG   1 c 2 
ATOM   3617 H HD11 . LEU   B 1 122 ? -8.897  27.159  30.347  1 47.33   ? 134 LEU   B HD11 1 c 2 
ATOM   3618 H HD12 . LEU   B 1 122 ? -10.469 27.154  30.558  1 46.779  ? 134 LEU   B HD12 1 c 2 
ATOM   3619 H HD13 . LEU   B 1 122 ? -9.681  25.782  30.442  1 44.498  ? 134 LEU   B HD13 1 c 2 
ATOM   3620 H HD21 . LEU   B 1 122 ? -10.525 26.295  34      1 48.294  ? 134 LEU   B HD21 1 c 2 
ATOM   3621 H HD22 . LEU   B 1 122 ? -10.998 25.429  32.759  1 46.292  ? 134 LEU   B HD22 1 c 2 
ATOM   3622 H HD23 . LEU   B 1 122 ? -11.397 26.961  32.855  1 48.979  ? 134 LEU   B HD23 1 c 2 
ATOM   3623 N N    . LEU   B 1 123 ? -6.11   27.95   31.071  1 51.107  ? 135 LEU   B N    1 ? 2 
ATOM   3624 C CA   . LEU   B 1 123 ? -5.493  29.273  31.186  1 57.451  ? 135 LEU   B CA   1 ? 2 
ATOM   3625 C C    . LEU   B 1 123 ? -6.573  30.342  31.372  1 64.022  ? 135 LEU   B C    1 ? 2 
ATOM   3626 O O    . LEU   B 1 123 ? -6.443  31.272  32.196  1 60.547  ? 135 LEU   B O    1 ? 2 
ATOM   3627 C CB   . LEU   B 1 123 ? -4.71   29.554  29.908  1 60.563  ? 135 LEU   B CB   1 ? 2 
ATOM   3628 C CG   . LEU   B 1 123 ? -3.695  28.484  29.492  1 57.245  ? 135 LEU   B CG   1 ? 2 
ATOM   3629 C CD1  . LEU   B 1 123 ? -3.067  28.796  28.143  1 60.183  ? 135 LEU   B CD1  1 ? 2 
ATOM   3630 C CD2  . LEU   B 1 123 ? -2.657  28.354  30.573  1 58.751  ? 135 LEU   B CD2  1 ? 2 
ATOM   3631 H H    . LEU   B 1 123 ? -6.288  27.61   30.242  1 50.386  ? 135 LEU   B H    1 c 2 
ATOM   3632 H HA   . LEU   B 1 123 ? -4.88   29.282  31.964  1 58.53   ? 135 LEU   B HA   1 c 2 
ATOM   3633 H HB2  . LEU   B 1 123 ? -5.355  29.671  29.172  1 59.417  ? 135 LEU   B HB2  1 c 2 
ATOM   3634 H HB3  . LEU   B 1 123 ? -4.232  30.407  30.022  1 62.011  ? 135 LEU   B HB3  1 c 2 
ATOM   3635 H HG   . LEU   B 1 123 ? -4.169  27.617  29.415  1 55.688  ? 135 LEU   B HG   1 c 2 
ATOM   3636 H HD11 . LEU   B 1 123 ? -3.768  28.929  27.482  1 59.591  ? 135 LEU   B HD11 1 c 2 
ATOM   3637 H HD12 . LEU   B 1 123 ? -2.501  28.056  27.868  1 59.084  ? 135 LEU   B HD12 1 c 2 
ATOM   3638 H HD13 . LEU   B 1 123 ? -2.532  29.605  28.212  1 62.18   ? 135 LEU   B HD13 1 c 2 
ATOM   3639 H HD21 . LEU   B 1 123 ? -3.068  28.007  31.381  1 57.261  ? 135 LEU   B HD21 1 c 2 
ATOM   3640 H HD22 . LEU   B 1 123 ? -2.269  29.226  30.757  1 60.795  ? 135 LEU   B HD22 1 c 2 
ATOM   3641 H HD23 . LEU   B 1 123 ? -1.958  27.745  30.28   1 58.216  ? 135 LEU   B HD23 1 c 2 
ATOM   3642 N N    . ASP   B 1 124 ? -7.622  30.256  30.535  1 59.165  ? 136 ASP   B N    1 ? 2 
ATOM   3643 C CA   . ASP   B 1 124 ? -8.63   31.314  30.53   1 59.195  ? 136 ASP   B CA   1 ? 2 
ATOM   3644 C C    . ASP   B 1 124 ? -9.889  30.815  29.82   1 59.53   ? 136 ASP   B C    1 ? 2 
ATOM   3645 O O    . ASP   B 1 124 ? -9.824  29.837  29.088  1 52.193  ? 136 ASP   B O    1 ? 2 
ATOM   3646 C CB   . ASP   B 1 124 ? -8.105  32.591  29.895  1 65.115  ? 136 ASP   B CB   1 ? 2 
ATOM   3647 C CG   . ASP   B 1 124 ? -8.738  33.882  30.404  1 68.808  ? 136 ASP   B CG   1 ? 2 
ATOM   3648 O OD1  . ASP   B 1 124 ? -9.736  33.797  31.156  1 66.49   ? 136 ASP   B OD1  1 ? 2 
ATOM   3649 O OD2  . ASP   B 1 124 ? -8.189  34.966  30.096  1 77.121  ? 136 ASP   B OD2  1 ? 2 
ATOM   3650 H H    . ASP   B 1 124 ? -7.708  29.547  29.965  1 58.032  ? 136 ASP   B H    1 c 2 
ATOM   3651 H HA   . ASP   B 1 124 ? -8.864  31.514  31.465  1 60.704  ? 136 ASP   B HA   1 c 2 
ATOM   3652 H HB2  . ASP   B 1 124 ? -7.139  32.652  30.042  1 65.443  ? 136 ASP   B HB2  1 c 2 
ATOM   3653 H HB3  . ASP   B 1 124 ? -8.254  32.544  28.927  1 64.745  ? 136 ASP   B HB3  1 c 2 
ATOM   3654 N N    . PHE   B 1 125 ? -11.033 31.457  30.095  1 60.604  ? 137 PHE   B N    1 ? 2 
ATOM   3655 C CA   . PHE   B 1 125 ? -12.254 31.236  29.329  1 61.772  ? 137 PHE   B CA   1 ? 2 
ATOM   3656 C C    . PHE   B 1 125 ? -13.097 32.51   29.312  1 63.849  ? 137 PHE   B C    1 ? 2 
ATOM   3657 O O    . PHE   B 1 125 ? -13.118 33.236  30.302  1 64.39   ? 137 PHE   B O    1 ? 2 
ATOM   3658 C CB   . PHE   B 1 125 ? -13.049 30.074  29.921  1 57.667  ? 137 PHE   B CB   1 ? 2 
ATOM   3659 C CG   . PHE   B 1 125 ? -13.432 30.157  31.39   1 58.201  ? 137 PHE   B CG   1 ? 2 
ATOM   3660 C CD1  . PHE   B 1 125 ? -12.58  29.686  32.378  1 56.347  ? 137 PHE   B CD1  1 ? 2 
ATOM   3661 C CD2  . PHE   B 1 125 ? -14.672 30.637  31.781  1 62.174  ? 137 PHE   B CD2  1 ? 2 
ATOM   3662 C CE1  . PHE   B 1 125 ? -12.958 29.689  33.707  1 58.597  ? 137 PHE   B CE1  1 ? 2 
ATOM   3663 C CE2  . PHE   B 1 125 ? -15.037 30.666  33.129  1 61.994  ? 137 PHE   B CE2  1 ? 2 
ATOM   3664 C CZ   . PHE   B 1 125 ? -14.19  30.175  34.086  1 62.154  ? 137 PHE   B CZ   1 ? 2 
ATOM   3665 H H    . PHE   B 1 125 ? -11.051 32.054  30.786  1 62.359  ? 137 PHE   B H    1 c 2 
ATOM   3666 H HA   . PHE   B 1 125 ? -12.003 31.008  28.398  1 60.683  ? 137 PHE   B HA   1 c 2 
ATOM   3667 H HB2  . PHE   B 1 125 ? -13.872 29.973  29.394  1 57.974  ? 137 PHE   B HB2  1 c 2 
ATOM   3668 H HB3  . PHE   B 1 125 ? -12.526 29.252  29.786  1 56.254  ? 137 PHE   B HB3  1 c 2 
ATOM   3669 H HD1  . PHE   B 1 125 ? -11.744 29.323  32.133  1 56.297  ? 137 PHE   B HD1  1 c 2 
ATOM   3670 H HD2  . PHE   B 1 125 ? -15.274 30.956  31.128  1 62.268  ? 137 PHE   B HD2  1 c 2 
ATOM   3671 H HE1  . PHE   B 1 125 ? -12.358 29.374  34.364  1 58.188  ? 137 PHE   B HE1  1 c 2 
ATOM   3672 H HE2  . PHE   B 1 125 ? -15.883 31.003  33.378  1 63.46   ? 137 PHE   B HE2  1 c 2 
ATOM   3673 H HZ   . PHE   B 1 125 ? -14.428 30.213  34.999  1 61.781  ? 137 PHE   B HZ   1 c 2 
ATOM   3674 N N    . LYS   B 1 126 ? -13.76  32.765  28.176  1 65.208  ? 138 LYS   B N    1 ? 2 
ATOM   3675 C CA   . LYS   B 1 126 ? -14.454 34.028  27.923  1 66.055  ? 138 LYS   B CA   1 ? 2 
ATOM   3676 C C    . LYS   B 1 126 ? -15.856 33.672  27.426  1 65.352  ? 138 LYS   B C    1 ? 2 
ATOM   3677 O O    . LYS   B 1 126 ? -16.001 32.722  26.673  1 64.79   ? 138 LYS   B O    1 ? 2 
ATOM   3678 C CB   . LYS   B 1 126 ? -13.678 34.912  26.933  1 62.409  ? 138 LYS   B CB   1 ? 2 
ATOM   3679 H H    . LYS   B 1 126 ? -13.783 32.121  27.528  1 63.128  ? 138 LYS   B H    1 c 2 
ATOM   3680 H HA   . LYS   B 1 126 ? -14.539 34.517  28.78   1 66.278  ? 138 LYS   B HA   1 c 2 
ATOM   3681 H HB2  . LYS   B 1 126 ? -12.714 34.807  27.107  0 30      ? 138 LYS   B HB2  1 c 2 
ATOM   3682 H HB3  . LYS   B 1 126 ? -14.329 35.429  26.429  0 30      ? 138 LYS   B HB3  1 c 2 
ATOM   3683 N N    . GLY   B 1 127 ? -16.884 34.386  27.904  1 72.945  ? 139 GLY   B N    1 ? 2 
ATOM   3684 C CA   . GLY   B 1 127 ? -18.25  34.174  27.452  1 73.562  ? 139 GLY   B CA   1 ? 2 
ATOM   3685 C C    . GLY   B 1 127 ? -18.373 34.652  26.015  1 81.776  ? 139 GLY   B C    1 ? 2 
ATOM   3686 O O    . GLY   B 1 127 ? -17.857 35.722  25.721  1 88.71   ? 139 GLY   B O    1 ? 2 
ATOM   3687 H H    . GLY   B 1 127 ? -16.726 35.031  28.533  1 73.042  ? 139 GLY   B H    1 c 2 
ATOM   3688 H HA2  . GLY   B 1 127 ? -18.474 33.218  27.511  1 72.264  ? 139 GLY   B HA2  1 c 2 
ATOM   3689 H HA3  . GLY   B 1 127 ? -18.871 34.677  28.029  1 76.345  ? 139 GLY   B HA3  1 c 2 
ATOM   3690 N N    . GLU   B 1 128 ? -19.034 33.871  25.146  1 85.892  ? 140 GLU   B N    1 ? 2 
ATOM   3691 C CA   . GLU   B 1 128 ? -19.029 34.116  23.709  1 88.716  ? 140 GLU   B CA   1 ? 2 
ATOM   3692 C C    . GLU   B 1 128 ? -19.656 35.497  23.404  1 94.281  ? 140 GLU   B C    1 ? 2 
ATOM   3693 O O    . GLU   B 1 128 ? -20.637 35.503  22.655  1 103.365 ? 140 GLU   B O    1 ? 2 
ATOM   3694 C CB   . GLU   B 1 128 ? -19.74  32.98   22.962  1 79.43   ? 140 GLU   B CB   1 ? 2 
ATOM   3695 O OXT  . GLU   B 1 128 ? -19.137 36.536  23.903  1 95.892  ? 140 GLU   B OXT  1 ? 2 
ATOM   3696 H H    . GLU   B 1 128 ? -19.508 33.158  25.467  1 82.808  ? 140 GLU   B H    1 c 2 
ATOM   3697 H HA   . GLU   B 1 128 ? -18.085 34.135  23.407  1 86.888  ? 140 GLU   B HA   1 c 2 
ATOM   3698 H HB2  . GLU   B 1 128 ? -19.055 32.491  22.539  0 30      ? 140 GLU   B HB2  1 c 2 
ATOM   3699 H HB3  . GLU   B 1 128 ? -20.678 33.251  23.024  0 30      ? 140 GLU   B HB3  1 c 2 
HETATM 3700 C C4   . A1INV C 2 .   ? -18.105 -3.572  12.925  1 34.719  ? 201 A1INV A C4   1 ? 1 
HETATM 3701 C C14  . A1INV C 2 .   ? -20.244 1.071   14.428  1 43.79   ? 201 A1INV A C14  1 ? 1 
HETATM 3702 C C5   . A1INV C 2 .   ? -19.313 -3.861  13.566  1 34.463  ? 201 A1INV A C5   1 ? 1 
HETATM 3703 C C6   . A1INV C 2 .   ? -19.451 -3.771  14.951  1 39.121  ? 201 A1INV A C6   1 ? 1 
HETATM 3704 C C11  . A1INV C 2 .   ? -22.43  -2.668  14.817  1 51.552  ? 201 A1INV A C11  1 ? 1 
HETATM 3705 C C7   . A1INV C 2 .   ? -18.357 -3.376  15.723  1 38.014  ? 201 A1INV A C7   1 ? 1 
HETATM 3706 C C8   . A1INV C 2 .   ? -18.611 -1.983  17.66   1 41.29   ? 201 A1INV A C8   1 ? 1 
HETATM 3707 C C9   . A1INV C 2 .   ? -21.636 -3.16   15.993  1 49.111  ? 201 A1INV A C9   1 ? 1 
HETATM 3708 C C10  . A1INV C 2 .   ? -22.597 -3.825  16.965  1 58.59   ? 201 A1INV A C10  1 ? 1 
HETATM 3709 C C12  . A1INV C 2 .   ? -22.905 -1.275  15.039  1 50.854  ? 201 A1INV A C12  1 ? 1 
HETATM 3710 C C13  . A1INV C 2 .   ? -21.327 0.388   13.948  1 47.117  ? 201 A1INV A C13  1 ? 1 
HETATM 3711 N N1   . A1INV C 2 .   ? -21.805 -0.321  14.987  1 50.571  ? 201 A1INV A N1   1 ? 1 
HETATM 3712 N N2   . A1INV C 2 .   ? -20.152 0.79    15.752  1 60.491  ? 201 A1INV A N2   1 ? 1 
HETATM 3713 C C3   . A1INV C 2 .   ? -17.016 -3.18   13.692  1 31.773  ? 201 A1INV A C3   1 ? 1 
HETATM 3714 N N3   . A1INV C 2 .   ? -21.084 -0.085  16.096  1 53.421  ? 201 A1INV A N3   1 ? 1 
HETATM 3715 C C1   . A1INV C 2 .   ? -14.834 -2.542  15.424  1 30.958  ? 201 A1INV A C1   1 ? 1 
HETATM 3716 O O1   . A1INV C 2 .   ? -16.144 -2.741  15.936  1 31.397  ? 201 A1INV A O1   1 ? 1 
HETATM 3717 C C2   . A1INV C 2 .   ? -17.151 -3.06   15.085  1 36.919  ? 201 A1INV A C2   1 ? 1 
HETATM 3718 O O2   . A1INV C 2 .   ? -18.471 -3.321  17.095  1 41.121  ? 201 A1INV A O2   1 ? 1 
HETATM 3719 O O3   . A1INV C 2 .   ? -20.611 -4.111  15.632  1 38.544  ? 201 A1INV A O3   1 ? 1 
HETATM 3720 C C15  . A1INV C 2 .   ? -19.37  2.074   13.745  1 44.3    ? 201 A1INV A C15  1 ? 1 
HETATM 3721 C C16  . A1INV C 2 .   ? -17.884 2.027   14.117  1 39.468  ? 201 A1INV A C16  1 ? 1 
HETATM 3722 C C17  . A1INV C 2 .   ? -17.163 0.753   13.782  1 35.378  ? 201 A1INV A C17  1 ? 1 
HETATM 3723 O O4   . A1INV C 2 .   ? -17.545 0.176   12.49   1 28.108  ? 201 A1INV A O4   1 ? 1 
HETATM 3724 C C18  . A1INV C 2 .   ? -17.084 0.751   11.386  1 26.606  ? 201 A1INV A C18  1 ? 1 
HETATM 3725 O O5   . A1INV C 2 .   ? -16.616 1.852   11.342  1 25.394  ? 201 A1INV A O5   1 ? 1 
HETATM 3726 C C19  . A1INV C 2 .   ? -17.428 -0.111  10.171  1 27.203  ? 201 A1INV A C19  1 ? 1 
HETATM 3727 C C20  . A1INV C 2 .   ? -18.36  0.695   9.262   1 27.712  ? 201 A1INV A C20  1 ? 1 
HETATM 3728 C C21  . A1INV C 2 .   ? -19.746 0.874   9.766   1 26.767  ? 201 A1INV A C21  1 ? 1 
HETATM 3729 C C22  . A1INV C 2 .   ? -20.371 -0.475  9.958   1 27.029  ? 201 A1INV A C22  1 ? 1 
HETATM 3730 C C23  . A1INV C 2 .   ? -19.526 -1.384  10.864  1 28.953  ? 201 A1INV A C23  1 ? 1 
HETATM 3731 N N4   . A1INV C 2 .   ? -18.072 -1.381  10.54   1 26.581  ? 201 A1INV A N4   1 ? 1 
HETATM 3732 C C24  . A1INV C 2 .   ? -17.296 -2.436  10.816  1 28.331  ? 201 A1INV A C24  1 ? 1 
HETATM 3733 O O6   . A1INV C 2 .   ? -16.09  -2.307  10.767  1 28.642  ? 201 A1INV A O6   1 ? 1 
HETATM 3734 C C25  . A1INV C 2 .   ? -17.941 -3.695  11.404  1 30.846  ? 201 A1INV A C25  1 ? 1 
HETATM 3735 C C26  . A1INV C 2 .   ? -17.099 -4.943  11.048  1 32.826  ? 201 A1INV A C26  1 ? 1 
HETATM 3736 C C27  . A1INV C 2 .   ? -17.067 -5.183  9.533   1 35.258  ? 201 A1INV A C27  1 ? 1 
HETATM 3737 C C28  . A1INV C 2 .   ? -16.305 -6.427  9.164   1 32.396  ? 201 A1INV A C28  1 ? 1 
HETATM 3738 C C29  . A1INV C 2 .   ? -16.769 -7.689  9.88    1 33.2    ? 201 A1INV A C29  1 ? 1 
HETATM 3739 C C30  . A1INV C 2 .   ? -16.726 -7.451  11.379  1 37.806  ? 201 A1INV A C30  1 ? 1 
HETATM 3740 C C31  . A1INV C 2 .   ? -17.581 -6.205  11.742  1 34.12   ? 201 A1INV A C31  1 ? 1 
HETATM 3741 H H5   . A1INV C 2 .   ? -20.047 -4.147  13.047  1 35.893  ? 201 A1INV A H5   1 c 1 
HETATM 3742 H H14  . A1INV C 2 .   ? -21.868 -2.696  14.015  1 49.08   ? 201 A1INV A H14  1 c 1 
HETATM 3743 H H13  . A1INV C 2 .   ? -23.2   -3.257  14.677  1 51.681  ? 201 A1INV A H13  1 c 1 
HETATM 3744 H H7   . A1INV C 2 .   ? -18.674 -2.047  18.627  1 42.851  ? 201 A1INV A H7   1 c 1 
HETATM 3745 H H8   . A1INV C 2 .   ? -19.412 -1.566  17.31   1 41.345  ? 201 A1INV A H8   1 c 1 
HETATM 3746 H H6   . A1INV C 2 .   ? -17.837 -1.448  17.421  1 40.369  ? 201 A1INV A H6   1 c 1 
HETATM 3747 H H9   . A1INV C 2 .   ? -21.212 -2.388  16.444  1 48.341  ? 201 A1INV A H9   1 c 1 
HETATM 3748 H H12  . A1INV C 2 .   ? -22.963 -4.631  16.561  1 56.852  ? 201 A1INV A H12  1 c 1 
HETATM 3749 H H10  . A1INV C 2 .   ? -23.323 -3.215  17.177  1 57.215  ? 201 A1INV A H10  1 c 1 
HETATM 3750 H H11  . A1INV C 2 .   ? -22.126 -4.061  17.781  1 57.169  ? 201 A1INV A H11  1 c 1 
HETATM 3751 H H15  . A1INV C 2 .   ? -23.341 -1.215  15.913  1 52.861  ? 201 A1INV A H15  1 c 1 
HETATM 3752 H H16  . A1INV C 2 .   ? -23.562 -1.044  14.351  1 51.288  ? 201 A1INV A H16  1 c 1 
HETATM 3753 H H17  . A1INV C 2 .   ? -21.65  0.377   13.064  1 46.347  ? 201 A1INV A H17  1 c 1 
HETATM 3754 H H4   . A1INV C 2 .   ? -16.195 -2.974  13.273  1 32.377  ? 201 A1INV A H4   1 c 1 
HETATM 3755 H H2   . A1INV C 2 .   ? -14.227 -2.352  16.158  1 31.52   ? 201 A1INV A H2   1 c 1 
HETATM 3756 H H3   . A1INV C 2 .   ? -14.837 -1.794  14.806  1 29.929  ? 201 A1INV A H3   1 c 1 
HETATM 3757 H H1   . A1INV C 2 .   ? -14.541 -3.344  14.962  1 30.587  ? 201 A1INV A H1   1 c 1 
HETATM 3758 H H19  . A1INV C 2 .   ? -19.452 1.946   12.783  1 41.784  ? 201 A1INV A H19  1 c 1 
HETATM 3759 H H18  . A1INV C 2 .   ? -19.71  2.964   13.949  1 43.26   ? 201 A1INV A H18  1 c 1 
HETATM 3760 H H20  . A1INV C 2 .   ? -17.807 2.179   15.076  1 40.499  ? 201 A1INV A H20  1 c 1 
HETATM 3761 H H21  . A1INV C 2 .   ? -17.434 2.763   13.665  1 38.894  ? 201 A1INV A H21  1 c 1 
HETATM 3762 H H23  . A1INV C 2 .   ? -16.2   0.932   13.788  1 34.038  ? 201 A1INV A H23  1 c 1 
HETATM 3763 H H22  . A1INV C 2 .   ? -17.345 0.105   14.493  1 35.253  ? 201 A1INV A H22  1 c 1 
HETATM 3764 H H24  . A1INV C 2 .   ? -16.59  -0.314  9.678   1 26.361  ? 201 A1INV A H24  1 c 1 
HETATM 3765 H H26  . A1INV C 2 .   ? -17.963 1.588   9.113   1 26.755  ? 201 A1INV A H26  1 c 1 
HETATM 3766 H H25  . A1INV C 2 .   ? -18.403 0.245   8.385   1 26.927  ? 201 A1INV A H25  1 c 1 
HETATM 3767 H H27  . A1INV C 2 .   ? -20.273 1.397   9.119   1 27.114  ? 201 A1INV A H27  1 c 1 
HETATM 3768 H H28  . A1INV C 2 .   ? -19.733 1.362   10.621  1 27.502  ? 201 A1INV A H28  1 c 1 
HETATM 3769 H H29  . A1INV C 2 .   ? -20.484 -0.907  9.085   1 27.432  ? 201 A1INV A H29  1 c 1 
HETATM 3770 H H30  . A1INV C 2 .   ? -21.261 -0.365  10.355  1 28.461  ? 201 A1INV A H30  1 c 1 
HETATM 3771 H H31  . A1INV C 2 .   ? -19.872 -2.301  10.788  1 28.863  ? 201 A1INV A H31  1 c 1 
HETATM 3772 H H32  . A1INV C 2 .   ? -19.644 -1.1    11.798  1 28.81   ? 201 A1INV A H32  1 c 1 
HETATM 3773 H H33  . A1INV C 2 .   ? -18.845 -3.803  11.012  1 31.793  ? 201 A1INV A H33  1 c 1 
HETATM 3774 H H34  . A1INV C 2 .   ? -16.166 -4.776  11.346  1 32.589  ? 201 A1INV A H34  1 c 1 
HETATM 3775 H H36  . A1INV C 2 .   ? -17.984 -5.257  9.2     1 34.183  ? 201 A1INV A H36  1 c 1 
HETATM 3776 H H35  . A1INV C 2 .   ? -16.651 -4.413  9.093   1 32.866  ? 201 A1INV A H35  1 c 1 
HETATM 3777 H H37  . A1INV C 2 .   ? -15.353 -6.284  9.364   1 32.575  ? 201 A1INV A H37  1 c 1 
HETATM 3778 H H38  . A1INV C 2 .   ? -16.383 -6.568  8.194   1 32.9    ? 201 A1INV A H38  1 c 1 
HETATM 3779 H H39  . A1INV C 2 .   ? -16.182 -8.44   9.644   1 34.662  ? 201 A1INV A H39  1 c 1 
HETATM 3780 H H40  . A1INV C 2 .   ? -17.685 -7.911  9.603   1 34.883  ? 201 A1INV A H40  1 c 1 
HETATM 3781 H H41  . A1INV C 2 .   ? -15.797 -7.31   11.664  1 35.709  ? 201 A1INV A H41  1 c 1 
HETATM 3782 H H42  . A1INV C 2 .   ? -17.076 -8.24   11.849  1 37.263  ? 201 A1INV A H42  1 c 1 
HETATM 3783 H H44  . A1INV C 2 .   ? -18.512 -6.372  11.493  1 35.448  ? 201 A1INV A H44  1 c 1 
HETATM 3784 H H43  . A1INV C 2 .   ? -17.551 -6.072  12.711  1 35.419  ? 201 A1INV A H43  1 c 1 
HETATM 3785 C C4   . A1INV D 2 .   ? -4.967  15.121  18.622  1 43.758  ? 201 A1INV B C4   1 ? 2 
HETATM 3786 C C14  . A1INV D 2 .   ? -7.707  19.285  17.171  1 82.131  ? 201 A1INV B C14  1 ? 2 
HETATM 3787 C C5   . A1INV D 2 .   ? -3.959  15.935  18.112  1 51.145  ? 201 A1INV B C5   1 ? 2 
HETATM 3788 C C6   . A1INV D 2 .   ? -3.89   16.196  16.758  1 55.566  ? 201 A1INV B C6   1 ? 2 
HETATM 3789 C C11  . A1INV D 2 .   ? -3.426  19.123  17.346  1 79.097  ? 201 A1INV B C11  1 ? 2 
HETATM 3790 C C7   . A1INV D 2 .   ? -4.771  15.596  15.875  1 53.974  ? 201 A1INV B C7   1 ? 2 
HETATM 3791 C C8   . A1INV D 2 .   ? -4.25   14.79   13.707  1 65.889  ? 201 A1INV B C8   1 ? 2 
HETATM 3792 C C9   . A1INV D 2 .   ? -2.431  18.25   16.592  1 72.849  ? 201 A1INV B C9   1 ? 2 
HETATM 3793 C C10  . A1INV D 2 .   ? -1.259  17.789  17.417  1 71.117  ? 201 A1INV B C10  1 ? 2 
HETATM 3794 C C12  . A1INV D 2 .   ? -4.254  20.069  16.485  1 83.794  ? 201 A1INV B C12  1 ? 2 
HETATM 3795 C C13  . A1INV D 2 .   ? -6.432  19.467  17.642  1 82.012  ? 201 A1INV B C13  1 ? 2 
HETATM 3796 N N1   . A1INV D 2 .   ? -5.685  19.794  16.568  1 83.68   ? 201 A1INV B N1   1 ? 2 
HETATM 3797 N N2   . A1INV D 2 .   ? -7.676  19.55   15.833  1 87.71   ? 201 A1INV B N2   1 ? 2 
HETATM 3798 C C3   . A1INV D 2 .   ? -5.832  14.49   17.736  1 43.821  ? 201 A1INV B C3   1 ? 2 
HETATM 3799 N N3   . A1INV D 2 .   ? -6.444  19.84   15.459  1 84.763  ? 201 A1INV B N3   1 ? 2 
HETATM 3800 C C1   . A1INV D 2 .   ? -7.321  13.02   15.771  1 48.162  ? 201 A1INV B C1   1 ? 2 
HETATM 3801 O O1   . A1INV D 2 .   ? -6.6    14.184  15.419  1 49.006  ? 201 A1INV B O1   1 ? 2 
HETATM 3802 C C2   . A1INV D 2 .   ? -5.745  14.719  16.36   1 52.963  ? 201 A1INV B C2   1 ? 2 
HETATM 3803 O O2   . A1INV D 2 .   ? -4.647  15.886  14.537  1 60.922  ? 201 A1INV B O2   1 ? 2 
HETATM 3804 O O3   . A1INV D 2 .   ? -3.002  17.006  16.107  1 68.618  ? 201 A1INV B O3   1 ? 2 
HETATM 3805 C C15  . A1INV D 2 .   ? -8.976  18.959  17.912  1 74.422  ? 201 A1INV B C15  1 ? 2 
HETATM 3806 C C16  . A1INV D 2 .   ? -9.758  17.752  17.385  1 61.682  ? 201 A1INV B C16  1 ? 2 
HETATM 3807 C C17  . A1INV D 2 .   ? -9.447  16.462  18.106  1 53.265  ? 201 A1INV B C17  1 ? 2 
HETATM 3808 O O4   . A1INV D 2 .   ? -8.649  16.577  19.324  1 46.206  ? 201 A1INV B O4   1 ? 2 
HETATM 3809 C C18  . A1INV D 2 .   ? -9.263  16.378  20.489  1 38.246  ? 201 A1INV B C18  1 ? 2 
HETATM 3810 O O5   . A1INV D 2 .   ? -10.449 16.364  20.606  1 40.18   ? 201 A1INV B O5   1 ? 2 
HETATM 3811 C C19  . A1INV D 2 .   ? -8.277  16.117  21.632  1 38.529  ? 201 A1INV B C19  1 ? 2 
HETATM 3812 C C20  . A1INV D 2 .   ? -8.396  17.235  22.669  1 36.84   ? 201 A1INV B C20  1 ? 2 
HETATM 3813 C C21  . A1INV D 2 .   ? -7.828  18.528  22.191  1 37.787  ? 201 A1INV B C21  1 ? 2 
HETATM 3814 C C22  . A1INV D 2 .   ? -6.36   18.333  21.941  1 38.916  ? 201 A1INV B C22  1 ? 2 
HETATM 3815 C C23  . A1INV D 2 .   ? -6.184  17.321  20.813  1 42.002  ? 201 A1INV B C23  1 ? 2 
HETATM 3816 N N4   . A1INV D 2 .   ? -6.901  16.012  21.086  1 38.02   ? 201 A1INV B N4   1 ? 2 
HETATM 3817 C C24  . A1INV D 2 .   ? -6.428  14.828  20.636  1 38.706  ? 201 A1INV B C24  1 ? 2 
HETATM 3818 O O6   . A1INV D 2 .   ? -7.154  13.817  20.619  1 37.794  ? 201 A1INV B O6   1 ? 2 
HETATM 3819 C C25  . A1INV D 2 .   ? -4.975  14.774  20.095  1 39.51   ? 201 A1INV B C25  1 ? 2 
HETATM 3820 C C26  . A1INV D 2 .   ? -4.342  13.373  20.345  1 39.654  ? 201 A1INV B C26  1 ? 2 
HETATM 3821 C C27  . A1INV D 2 .   ? -4.041  13.097  21.82   1 39.465  ? 201 A1INV B C27  1 ? 2 
HETATM 3822 C C28  . A1INV D 2 .   ? -3.51   11.682  22.085  1 38.969  ? 201 A1INV B C28  1 ? 2 
HETATM 3823 C C29  . A1INV D 2 .   ? -2.235  11.401  21.33   1 42.434  ? 201 A1INV B C29  1 ? 2 
HETATM 3824 C C30  . A1INV D 2 .   ? -2.411  11.783  19.864  1 42.791  ? 201 A1INV B C30  1 ? 2 
HETATM 3825 C C31  . A1INV D 2 .   ? -3.032  13.159  19.579  1 41.563  ? 201 A1INV B C31  1 ? 2 
HETATM 3826 H H5   . A1INV D 2 .   ? -3.352  16.349  18.705  1 50.756  ? 201 A1INV B H5   1 c 2 
HETATM 3827 H H14  . A1INV D 2 .   ? -4.029  18.543  17.851  1 75.642  ? 201 A1INV B H14  1 c 2 
HETATM 3828 H H13  . A1INV D 2 .   ? -2.929  19.655  18.002  1 78.078  ? 201 A1INV B H13  1 c 2 
HETATM 3829 H H7   . A1INV D 2 .   ? -4.199  15.088  12.784  1 66.684  ? 201 A1INV B H7   1 c 2 
HETATM 3830 H H8   . A1INV D 2 .   ? -4.898  14.072  13.778  1 63.217  ? 201 A1INV B H8   1 c 2 
HETATM 3831 H H6   . A1INV D 2 .   ? -3.379  14.469  13.991  1 64.88   ? 201 A1INV B H6   1 c 2 
HETATM 3832 H H9   . A1INV D 2 .   ? -2.088  18.765  15.816  1 75.582  ? 201 A1INV B H9   1 c 2 
HETATM 3833 H H12  . A1INV D 2 .   ? -1.578  17.349  18.218  1 69.231  ? 201 A1INV B H12  1 c 2 
HETATM 3834 H H10  . A1INV D 2 .   ? -0.714  18.554  17.665  1 72.8    ? 201 A1INV B H10  1 c 2 
HETATM 3835 H H11  . A1INV D 2 .   ? -0.72   17.166  16.9    1 72.515  ? 201 A1INV B H11  1 c 2 
HETATM 3836 H H15  . A1INV D 2 .   ? -3.97   19.988  15.551  1 85.124  ? 201 A1INV B H15  1 c 2 
HETATM 3837 H H16  . A1INV D 2 .   ? -4.092  20.991  16.773  1 84.373  ? 201 A1INV B H16  1 c 2 
HETATM 3838 H H17  . A1INV D 2 .   ? -6.131  19.371  18.528  1 80.218  ? 201 A1INV B H17  1 c 2 
HETATM 3839 H H4   . A1INV D 2 .   ? -6.483  13.894  18.071  1 43.922  ? 201 A1INV B H4   1 c 2 
HETATM 3840 H H2   . A1INV D 2 .   ? -7.766  12.666  14.984  1 48.674  ? 201 A1INV B H2   1 c 2 
HETATM 3841 H H3   . A1INV D 2 .   ? -7.985  13.241  16.444  1 46.363  ? 201 A1INV B H3   1 c 2 
HETATM 3842 H H1   . A1INV D 2 .   ? -6.709  12.353  16.124  1 47.481  ? 201 A1INV B H1   1 c 2 
HETATM 3843 H H19  . A1INV D 2 .   ? -8.755  18.806  18.847  1 70.988  ? 201 A1INV B H19  1 c 2 
HETATM 3844 H H18  . A1INV D 2 .   ? -9.559  19.74   17.875  1 73.255  ? 201 A1INV B H18  1 c 2 
HETATM 3845 H H20  . A1INV D 2 .   ? -9.558  17.641  16.439  1 64.131  ? 201 A1INV B H20  1 c 2 
HETATM 3846 H H21  . A1INV D 2 .   ? -10.71  17.938  17.471  1 62.241  ? 201 A1INV B H21  1 c 2 
HETATM 3847 H H23  . A1INV D 2 .   ? -10.298 16.023  18.31   1 51.922  ? 201 A1INV B H23  1 c 2 
HETATM 3848 H H22  . A1INV D 2 .   ? -8.975  15.888  17.468  1 53.731  ? 201 A1INV B H22  1 c 2 
HETATM 3849 H H24  . A1INV D 2 .   ? -8.51   15.251  22.06   1 36.48   ? 201 A1INV B H24  1 c 2 
HETATM 3850 H H26  . A1INV D 2 .   ? -9.349  17.366  22.898  1 36.347  ? 201 A1INV B H26  1 c 2 
HETATM 3851 H H25  . A1INV D 2 .   ? -7.924  16.961  23.49   1 36.315  ? 201 A1INV B H25  1 c 2 
HETATM 3852 H H27  . A1INV D 2 .   ? -7.964  19.229  22.869  1 38.125  ? 201 A1INV B H27  1 c 2 
HETATM 3853 H H28  . A1INV D 2 .   ? -8.277  18.809  21.36   1 38.873  ? 201 A1INV B H28  1 c 2 
HETATM 3854 H H29  . A1INV D 2 .   ? -5.923  18.003  22.755  1 38.822  ? 201 A1INV B H29  1 c 2 
HETATM 3855 H H30  . A1INV D 2 .   ? -5.948  19.187  21.688  1 41.005  ? 201 A1INV B H30  1 c 2 
HETATM 3856 H H31  . A1INV D 2 .   ? -5.225  17.151  20.687  1 41.781  ? 201 A1INV B H31  1 c 2 
HETATM 3857 H H32  . A1INV D 2 .   ? -6.531  17.708  19.977  1 42.114  ? 201 A1INV B H32  1 c 2 
HETATM 3858 H H33  . A1INV D 2 .   ? -4.435  15.455  20.572  1 40.772  ? 201 A1INV B H33  1 c 2 
HETATM 3859 H H34  . A1INV D 2 .   ? -4.987  12.685  20.035  1 39.057  ? 201 A1INV B H34  1 c 2 
HETATM 3860 H H36  . A1INV D 2 .   ? -3.38   13.747  22.135  1 39.895  ? 201 A1INV B H36  1 c 2 
HETATM 3861 H H35  . A1INV D 2 .   ? -4.857  13.23   22.341  1 37.826  ? 201 A1INV B H35  1 c 2 
HETATM 3862 H H37  . A1INV D 2 .   ? -4.193  11.027  21.82   1 38.636  ? 201 A1INV B H37  1 c 2 
HETATM 3863 H H38  . A1INV D 2 .   ? -3.346  11.574  23.048  1 38.704  ? 201 A1INV B H38  1 c 2 
HETATM 3864 H H39  . A1INV D 2 .   ? -2.012  10.447  21.4    1 41.985  ? 201 A1INV B H39  1 c 2 
HETATM 3865 H H40  . A1INV D 2 .   ? -1.498  11.92   21.721  1 42.697  ? 201 A1INV B H40  1 c 2 
HETATM 3866 H H41  . A1INV D 2 .   ? -2.967  11.098  19.432  1 42.359  ? 201 A1INV B H41  1 c 2 
HETATM 3867 H H42  . A1INV D 2 .   ? -1.529  11.75   19.431  1 44.457  ? 201 A1INV B H42  1 c 2 
HETATM 3868 H H44  . A1INV D 2 .   ? -2.394  13.858  19.828  1 42.805  ? 201 A1INV B H44  1 c 2 
HETATM 3869 H H43  . A1INV D 2 .   ? -3.202  13.237  18.618  1 42.993  ? 201 A1INV B H43  1 c 2 
HETATM 3870 O O    . HOH   E 3 .   ? -2.011  1.308   -0.381  1 47.212  ? 301 HOH   A O    1 ? ? 
HETATM 3871 O O    . HOH   E 3 .   ? -25.445 14.696  11.036  1 46.693  ? 302 HOH   A O    1 ? ? 
HETATM 3872 O O    . HOH   E 3 .   ? -7.655  5.149   8.221   1 39.845  ? 303 HOH   A O    1 ? ? 
HETATM 3873 O O    . HOH   E 3 .   ? -28.658 11.474  -4.936  1 46.801  ? 304 HOH   A O    1 ? ? 
HETATM 3874 O O    . HOH   E 3 .   ? -13.146 9.181   15.195  1 43.365  ? 305 HOH   A O    1 ? ? 
HETATM 3875 O O    . HOH   E 3 .   ? -18.894 -12.970 -3.713  1 42.504  ? 306 HOH   A O    1 ? ? 
HETATM 3876 O O    . HOH   E 3 .   ? -8.815  9.739   -0.109  1 45.648  ? 307 HOH   A O    1 ? ? 
HETATM 3877 O O    . HOH   E 3 .   ? -4.837  3.843   -8.2    1 44.62   ? 308 HOH   A O    1 ? ? 
HETATM 3878 O O    . HOH   E 3 .   ? -22.155 7.679   -7.3    1 46.108  ? 309 HOH   A O    1 ? ? 
HETATM 3879 O O    . HOH   E 3 .   ? -26.207 17.444  1.162   1 48.615  ? 310 HOH   A O    1 ? ? 
HETATM 3880 O O    . HOH   E 3 .   ? -28.599 -1.246  11.91   1 54.143  ? 311 HOH   A O    1 ? ? 
HETATM 3881 O O    . HOH   E 3 .   ? -9.98   4.133   9.662   1 27.243  ? 312 HOH   A O    1 ? ? 
HETATM 3882 O O    . HOH   E 3 .   ? -6.857  -4.324  10.976  1 28.676  ? 313 HOH   A O    1 ? ? 
HETATM 3883 O O    . HOH   E 3 .   ? -23.003 12.016  -11.327 1 53.26   ? 314 HOH   A O    1 ? ? 
HETATM 3884 O O    . HOH   E 3 .   ? -26.884 -8.787  -1.255  1 38.719  ? 315 HOH   A O    1 ? ? 
HETATM 3885 O O    . HOH   E 3 .   ? -9.092  -2.256  -9.271  1 49.389  ? 316 HOH   A O    1 ? ? 
HETATM 3886 O O    . HOH   E 3 .   ? -14.862 10.551  -1.346  1 38.763  ? 317 HOH   A O    1 ? ? 
HETATM 3887 O O    . HOH   E 3 .   ? -8.484  -3.365  9.27    1 30.087  ? 318 HOH   A O    1 ? ? 
HETATM 3888 O O    . HOH   E 3 .   ? -5.881  8.913   0.206   1 36.269  ? 319 HOH   A O    1 ? ? 
HETATM 3889 O O    . HOH   E 3 .   ? -3.963  4.714   8.664   1 48.819  ? 320 HOH   A O    1 ? ? 
HETATM 3890 O O    . HOH   E 3 .   ? -10.005 -3.492  20.593  1 38.719  ? 321 HOH   A O    1 ? ? 
HETATM 3891 O O    . HOH   E 3 .   ? -7.264  0.702   14.706  1 38.588  ? 322 HOH   A O    1 ? ? 
HETATM 3892 O O    . HOH   E 3 .   ? -18.198 9.841   10.408  1 30.807  ? 323 HOH   A O    1 ? ? 
HETATM 3893 O O    . HOH   E 3 .   ? -12.291 6.887   11.745  1 35.499  ? 324 HOH   A O    1 ? ? 
HETATM 3894 O O    . HOH   E 3 .   ? -8.569  -1.731  -1.215  1 39.328  ? 325 HOH   A O    1 ? ? 
HETATM 3895 O O    . HOH   E 3 .   ? -13.641 -4.489  18.441  1 46.44   ? 326 HOH   A O    1 ? ? 
HETATM 3896 O O    . HOH   E 3 .   ? -5.929  -5.782  0.7     1 40.907  ? 327 HOH   A O    1 ? ? 
HETATM 3897 O O    . HOH   E 3 .   ? -4.629  -1.938  -2.168  1 44.495  ? 328 HOH   A O    1 ? ? 
HETATM 3898 O O    . HOH   E 3 .   ? -27.864 3.504   13.494  1 42.999  ? 329 HOH   A O    1 ? ? 
HETATM 3899 O O    . HOH   E 3 .   ? -3.41   1.465   1.916   1 46.075  ? 330 HOH   A O    1 ? ? 
HETATM 3900 O O    . HOH   E 3 .   ? -6.643  -4.65   18.651  1 37.569  ? 331 HOH   A O    1 ? ? 
HETATM 3901 O O    . HOH   E 3 .   ? -25.252 -4.784  12.829  1 51.763  ? 332 HOH   A O    1 ? ? 
HETATM 3902 O O    . HOH   E 3 .   ? -3.551  -3.341  -4.519  1 47.779  ? 333 HOH   A O    1 ? ? 
HETATM 3903 O O    . HOH   E 3 .   ? -6.585  1.394   -9.539  1 38.176  ? 334 HOH   A O    1 ? ? 
HETATM 3904 O O    . HOH   E 3 .   ? -0.978  -1.308  8.485   1 56.047  ? 335 HOH   A O    1 ? ? 
HETATM 3905 O O    . HOH   E 3 .   ? -7.774  -9.771  5.782   1 43.568  ? 336 HOH   A O    1 ? ? 
HETATM 3906 O O    . HOH   E 3 .   ? -13.367 -6.328  19.534  1 33.542  ? 337 HOH   A O    1 ? ? 
HETATM 3907 O O    . HOH   E 3 .   ? -12.791 -5.366  22.209  1 38.714  ? 338 HOH   A O    1 ? ? 
HETATM 3908 O O    . HOH   E 3 .   ? -26.863 -5.118  1.64    1 50.828  ? 339 HOH   A O    1 ? ? 
HETATM 3909 O O    . HOH   E 3 .   ? -13.628 -13.032 -3.853  1 43.044  ? 340 HOH   A O    1 ? ? 
HETATM 3910 O O    . HOH   E 3 .   ? -20.052 3.795   17.171  1 59.484  ? 341 HOH   A O    1 ? ? 
HETATM 3911 O O    . HOH   E 3 .   ? -31.008 12.773  -4.21   1 51.256  ? 342 HOH   A O    1 ? ? 
HETATM 3912 O O    . HOH   E 3 .   ? -2.299  3.496   10.083  1 47.886  ? 343 HOH   A O    1 ? ? 
HETATM 3913 O O    . HOH   E 3 .   ? -21.63  4.258   19.212  1 60.479  ? 344 HOH   A O    1 ? ? 
HETATM 3914 O O    . HOH   F 3 .   ? -10.412 4.799   42.689  1 49.341  ? 301 HOH   B O    1 ? ? 
HETATM 3915 O O    . HOH   F 3 .   ? 3.998   18.923  32.969  1 44.199  ? 302 HOH   B O    1 ? ? 
HETATM 3916 O O    . HOH   F 3 .   ? -10.347 6.031   40.413  1 37.596  ? 303 HOH   B O    1 ? ? 
HETATM 3917 O O    . HOH   F 3 .   ? -10.312 4.921   19.554  1 29.479  ? 304 HOH   B O    1 ? ? 
HETATM 3918 O O    . HOH   F 3 .   ? -20.875 12.84   31.694  1 46.955  ? 305 HOH   B O    1 ? ? 
HETATM 3919 O O    . HOH   F 3 .   ? -19.229 24.25   34.384  1 41.685  ? 306 HOH   B O    1 ? ? 
HETATM 3920 O O    . HOH   F 3 .   ? -21.909 9.821   31.008  1 30.437  ? 307 HOH   B O    1 ? ? 
HETATM 3921 O O    . HOH   F 3 .   ? -8.834  15.568  42.001  1 50.32   ? 308 HOH   B O    1 ? ? 
HETATM 3922 O O    . HOH   F 3 .   ? -18.724 18.286  33.295  1 33.308  ? 309 HOH   B O    1 ? ? 
HETATM 3923 O O    . HOH   F 3 .   ? -9.429  2.391   13.046  1 36.132  ? 310 HOH   B O    1 ? ? 
HETATM 3924 O O    . HOH   F 3 .   ? -14.46  0.957   27.374  1 37.945  ? 311 HOH   B O    1 ? ? 
HETATM 3925 O O    . HOH   F 3 .   ? -15.85  11.86   21.699  1 29.686  ? 312 HOH   B O    1 ? ? 
HETATM 3926 O O    . HOH   F 3 .   ? -17.688 5.514   39.244  1 34.956  ? 313 HOH   B O    1 ? ? 
HETATM 3927 O O    . HOH   F 3 .   ? -18.131 7.766   21.315  1 59.849  ? 314 HOH   B O    1 ? ? 
HETATM 3928 O O    . HOH   F 3 .   ? -9.927  2.52    29.641  1 37.534  ? 315 HOH   B O    1 ? ? 
HETATM 3929 O O    . HOH   F 3 .   ? -5.538  2.276   24.475  1 44.562  ? 316 HOH   B O    1 ? ? 
HETATM 3930 O O    . HOH   F 3 .   ? -11.41  6.294   32.067  1 32.924  ? 317 HOH   B O    1 ? ? 
HETATM 3931 O O    . HOH   F 3 .   ? -18.911 16.301  35.31   1 41.858  ? 318 HOH   B O    1 ? ? 
HETATM 3932 O O    . HOH   F 3 .   ? -16.524 4.634   16.872  1 35.538  ? 319 HOH   B O    1 ? ? 
HETATM 3933 O O    . HOH   F 3 .   ? -12.547 18.39   39.901  1 39.302  ? 320 HOH   B O    1 ? ? 
HETATM 3934 O O    . HOH   F 3 .   ? -11.914 11.478  14      1 42.831  ? 321 HOH   B O    1 ? ? 
HETATM 3935 O O    . HOH   F 3 .   ? -10.262 6.823   21.628  1 29.96   ? 322 HOH   B O    1 ? ? 
HETATM 3936 O O    . HOH   F 3 .   ? -13.622 7.049   41.462  1 36.7    ? 323 HOH   B O    1 ? ? 
HETATM 3937 O O    . HOH   F 3 .   ? -8.67   2.86    33.824  1 37.751  ? 324 HOH   B O    1 ? ? 
HETATM 3938 O O    . HOH   F 3 .   ? -18.302 13.227  40.152  1 45.035  ? 325 HOH   B O    1 ? ? 
HETATM 3939 O O    . HOH   F 3 .   ? -0.377  20.254  19.356  1 58.782  ? 326 HOH   B O    1 ? ? 
HETATM 3940 O O    . HOH   F 3 .   ? -10.017 5.554   11.988  1 35.502  ? 327 HOH   B O    1 ? ? 
HETATM 3941 O O    . HOH   F 3 .   ? -10.583 1.839   35.064  1 46.474  ? 328 HOH   B O    1 ? ? 
HETATM 3942 O O    . HOH   F 3 .   ? -22.874 2.881   34.693  1 52.18   ? 329 HOH   B O    1 ? ? 
HETATM 3943 O O    . HOH   F 3 .   ? -12.576 1.291   34.822  1 40.523  ? 330 HOH   B O    1 ? ? 
HETATM 3944 O O    . HOH   F 3 .   ? -10.113 2.863   41.496  1 44.013  ? 331 HOH   B O    1 ? ? 
HETATM 3945 O O    . HOH   F 3 .   ? 0.812   4.393   34.066  1 39.322  ? 332 HOH   B O    1 ? ? 
HETATM 3946 O O    . HOH   F 3 .   ? -16.044 0.291   29.229  1 44.778  ? 333 HOH   B O    1 ? ? 
HETATM 3947 O O    . HOH   F 3 .   ? -21.116 8.082   26.157  1 66.666  ? 334 HOH   B O    1 ? ? 
HETATM 3948 O O    . HOH   F 3 .   ? -9.914  15.788  14.782  1 53.179  ? 335 HOH   B O    1 ? ? 
HETATM 3949 O O    . HOH   F 3 .   ? -13.638 16.062  17.653  1 51.977  ? 336 HOH   B O    1 ? ? 
HETATM 3950 O O    . HOH   F 3 .   ? -11.275 9.342   10.55   1 51.424  ? 337 HOH   B O    1 ? ? 
HETATM 3951 O O    . HOH   F 3 .   ? -9.92   3.935   31.886  1 37.894  ? 338 HOH   B O    1 ? ? 
HETATM 3952 O O    . HOH   F 3 .   ? -17.01  13.259  19.123  1 55.042  ? 339 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   ? 1.10791  0.461443 0.566693 -0.0245465  -0.0916986  -0.170708   13  GLY   A N    
2    C CA   . GLY   A 1   ? 1.0556   0.453093 0.581075 -0.049585   -0.104164   -0.151523   13  GLY   A CA   
3    C C    . GLY   A 1   ? 1.02565  0.471302 0.556979 -0.0517769  -0.0978826  -0.140476   13  GLY   A C    
4    O O    . GLY   A 1   ? 1.07032  0.51672  0.557478 -0.0355295  -0.0823366  -0.145015   13  GLY   A O    
5    H H1   . GLY   A 1   ? 1.14184  0.463258 0.596439 -0.0225812  -0.0963504  -0.178057   13  GLY   A H1   
6    H H2   . GLY   A 1   ? 1.0882   0.464909 0.547221 -0.0113356  -0.0677347  -0.165026   13  GLY   A H2   
7    H H3   . GLY   A 1   ? 1.14754  0.481685 0.567943 -0.0231109  -0.102844   -0.180998   13  GLY   A H3   
8    H HA2  . GLY   A 1   ? 1.08146  0.456512 0.612486 -0.0643575  -0.129681   -0.156669   13  GLY   A HA2  
9    H HA3  . GLY   A 1   ? 1.02255  0.439678 0.584387 -0.0497777  -0.0912261  -0.140211   13  GLY   A HA3  
10   N N    . ALA   A 2   ? 0.961123 0.446949 0.549304 -0.0710064  -0.107465   -0.124335   14  ALA   A N    
11   C CA   . ALA   A 2   ? 0.938577 0.467535 0.537744 -0.0730864  -0.102385   -0.113155   14  ALA   A CA   
12   C C    . ALA   A 2   ? 0.903752 0.464102 0.498902 -0.0556143  -0.0664806  -0.106173   14  ALA   A C    
13   O O    . ALA   A 2   ? 0.952065 0.52338  0.522515 -0.0490234  -0.0580635  -0.104579   14  ALA   A O    
14   C CB   . ALA   A 2   ? 0.914988 0.483077 0.580664 -0.0928248  -0.113513   -0.0968959  14  ALA   A CB   
15   H H    . ALA   A 2   ? 0.96011  0.445654 0.581031 -0.0823461  -0.116269   -0.119702   14  ALA   A H    
16   H HA   . ALA   A 2   ? 0.975187 0.485023 0.538771 -0.0722926  -0.116091   -0.121148   14  ALA   A HA   
17   H HB1  . ALA   A 2   ? 0.930407 0.481259 0.602329 -0.104669   -0.136971   -0.100767   14  ALA   A HB1  
18   H HB2  . ALA   A 2   ? 0.877346 0.461593 0.573374 -0.0931547  -0.100624   -0.088892   14  ALA   A HB2  
19   H HB3  . ALA   A 2   ? 0.881157 0.475331 0.553521 -0.0927798  -0.110028   -0.0901672  14  ALA   A HB3  
20   N N    . PRO   A 3   ? 0.816541 0.394356 0.438613 -0.0480597  -0.0449712  -0.100122   15  PRO   A N    
21   C CA   . PRO   A 3   ? 0.819553 0.430427 0.445101 -0.0332727  -0.0151292  -0.0941508  15  PRO   A CA   
22   C C    . PRO   A 3   ? 0.898044 0.487086 0.469538 -0.0139568  0.00102571  -0.10477    15  PRO   A C    
23   O O    . PRO   A 3   ? 0.878442 0.493871 0.446483 -0.00811574 0.0189683   -0.0986748  15  PRO   A O    
24   C CB   . PRO   A 3   ? 0.801509 0.428868 0.465023 -0.0298426  -0.0040537  -0.086668   15  PRO   A CB   
25   C CG   . PRO   A 3   ? 0.829144 0.449973 0.523834 -0.0486903  -0.0253842  -0.0808417  15  PRO   A CG   
26   C CD   . PRO   A 3   ? 0.869511 0.442908 0.528018 -0.0551792  -0.0493107  -0.0949971  15  PRO   A CD   
27   H HA   . PRO   A 3   ? 0.788291 0.427883 0.432506 -0.0392945  -0.0136256  -0.0860294  15  PRO   A HA   
28   H HB2  . PRO   A 3   ? 0.833279 0.439464 0.478487 -0.017977   0.00289598  -0.0931891  15  PRO   A HB2  
29   H HB3  . PRO   A 3   ? 0.767983 0.430115 0.454161 -0.0276567  0.00854034  -0.078614   15  PRO   A HB3  
30   H HG2  . PRO   A 3   ? 0.816298 0.432713 0.525079 -0.0464405  -0.0215262  -0.077245   15  PRO   A HG2  
31   H HG3  . PRO   A 3   ? 0.782145 0.431677 0.503286 -0.057709   -0.0275448  -0.0720814  15  PRO   A HG3  
32   H HD2  . PRO   A 3   ? 0.895667 0.436014 0.53254  -0.0480792  -0.0498311  -0.103925   15  PRO   A HD2  
33   H HD3  . PRO   A 3   ? 0.853944 0.428234 0.534348 -0.0701021  -0.0661412  -0.091215   15  PRO   A HD3  
34   N N    . ALA   A 4   ? 0.956353 0.494921 0.484663 -0.00414898 -0.00490296 -0.120471   16  ALA   A N    
35   C CA   . ALA   A 4   ? 0.976927 0.489756 0.446896 0.0174171   0.0123176   -0.131897   16  ALA   A CA   
36   C C    . ALA   A 4   ? 1.01918  0.522189 0.445953 0.0141996   0.00348098  -0.133583   16  ALA   A C    
37   O O    . ALA   A 4   ? 1.05745  0.568918 0.455606 0.0281384   0.0271764   -0.130705   16  ALA   A O    
38   C CB   . ALA   A 4   ? 1.06994  0.524846 0.50101  0.0296766   0.00565292  -0.150641   16  ALA   A CB   
39   H H    . ALA   A 4   ? 0.96135  0.479714 0.496379 -0.0105793  -0.01926    -0.124186   16  ALA   A H    
40   H HA   . ALA   A 4   ? 0.965856 0.506883 0.451096 0.0273388   0.0355865   -0.12514    16  ALA   A HA   
41   H HB1  . ALA   A 4   ? 1.04444  0.506002 0.503105 0.033241    0.0127369   -0.147387   16  ALA   A HB1  
42   H HB2  . ALA   A 4   ? 1.08732  0.514438 0.507378 0.0182336   -0.0190887  -0.157774   16  ALA   A HB2  
43   H HB3  . ALA   A 4   ? 1.1023   0.539835 0.491649 0.0460257   0.0188356   -0.158755   16  ALA   A HB3  
44   N N    . THR   A 5   ? 1.01028  0.49906  0.436349 -0.0041414  -0.029942   -0.135552   17  THR   A N    
45   C CA   . THR   A 5   ? 1.07917  0.557717 0.462616 -0.00562834 -0.0417485  -0.13567    17  THR   A CA   
46   C C    . THR   A 5   ? 0.993316 0.523135 0.40677  -0.00744827 -0.0203748  -0.115442   17  THR   A C    
47   O O    . THR   A 5   ? 1.09423  0.620465 0.467156 0.00131173  -0.00890809 -0.111218   17  THR   A O    
48   C CB   . THR   A 5   ? 1.11493  0.573634 0.502909 -0.0252397  -0.0852366  -0.140967   17  THR   A CB   
49   O OG1  . THR   A 5   ? 1.21049  0.614279 0.563286 -0.0223434  -0.103591   -0.162107   17  THR   A OG1  
50   C CG2  . THR   A 5   ? 1.12464  0.57637  0.472491 -0.0265407  -0.102145   -0.138558   17  THR   A CG2  
51   H H    . THR   A 5   ? 1.01068  0.496626 0.463814 -0.0153486  -0.0455155  -0.135835   17  THR   A H    
52   H HA   . THR   A 5   ? 1.12258  0.571675 0.453121 0.0087366   -0.0348441  -0.145614   17  THR   A HA   
53   H HB   . THR   A 5   ? 1.06374  0.550288 0.50585  -0.0385061  -0.0904879  -0.131484   17  THR   A HB   
55   H HG21 . THR   A 5   ? 1.1482   0.585898 0.498844 -0.0378737  -0.132095   -0.143682   17  THR   A HG21 
56   H HG22 . THR   A 5   ? 1.181    0.606962 0.472548 -0.0121022  -0.0936953  -0.146072   17  THR   A HG22 
57   H HG23 . THR   A 5   ? 1.08818  0.574477 0.463703 -0.0298528  -0.0917431  -0.123954   17  THR   A HG23 
58   N N    . VAL   A 6   ? 0.899805 0.47449  0.381658 -0.0182238  -0.0143134  -0.10267    18  VAL   A N    
59   C CA   . VAL   A 6   ? 0.863767 0.482514 0.377442 -0.0213053  0.00286733  -0.0862132  18  VAL   A CA   
60   C C    . VAL   A 6   ? 0.871207 0.504209 0.376018 -0.00500138 0.0391186   -0.0830227  18  VAL   A C    
61   O O    . VAL   A 6   ? 0.916934 0.561835 0.410688 -0.00259898 0.054019    -0.0731531  18  VAL   A O    
62   C CB   . VAL   A 6   ? 0.789495 0.449545 0.37385  -0.0354775  -0.00135266 -0.0759589  18  VAL   A CB   
63   C CG1  . VAL   A 6   ? 0.738671 0.438191 0.352094 -0.0373865  0.0161944   -0.0622994  18  VAL   A CG1  
64   C CG2  . VAL   A 6   ? 0.771229 0.423652 0.372425 -0.0515082  -0.0341461  -0.0760985  18  VAL   A CG2  
65   H H    . VAL   A 6   ? 0.891251 0.467403 0.399753 -0.0237002  -0.0212681  -0.104358   18  VAL   A H    
66   H HA   . VAL   A 6   ? 0.879913 0.491785 0.373554 -0.0241622  -0.00624093 -0.083147   18  VAL   A HA   
67   H HB   . VAL   A 6   ? 0.772235 0.437368 0.373311 -0.0320678  0.00626276  -0.078259   18  VAL   A HB   
68   H HG11 . VAL   A 6   ? 0.761489 0.452338 0.351809 -0.0374318  0.0135786   -0.0590894  18  VAL   A HG11 
69   H HG12 . VAL   A 6   ? 0.733431 0.444779 0.35141  -0.0296864  0.0359023   -0.0615407  18  VAL   A HG12 
70   H HG13 . VAL   A 6   ? 0.704175 0.424689 0.354968 -0.0459371  0.00994548  -0.0574231  18  VAL   A HG13 
71   H HG21 . VAL   A 6   ? 0.7347   0.413025 0.378525 -0.0584845  -0.0336584  -0.0693386  18  VAL   A HG21 
72   H HG22 . VAL   A 6   ? 0.806107 0.432173 0.391737 -0.051878   -0.0460173  -0.0850995  18  VAL   A HG22 
73   H HG23 . VAL   A 6   ? 0.790069 0.43821  0.375914 -0.05391    -0.0436075  -0.0734972  18  VAL   A HG23 
74   N N    . THR   A 7   ? 0.881299 0.514138 0.394592 0.0062107   0.0535359   -0.0894856  19  THR   A N    
75   C CA   . THR   A 7   ? 0.942137 0.591074 0.451825 0.0235271   0.0878085   -0.0866658  19  THR   A CA   
76   C C    . THR   A 7   ? 1.06271  0.683616 0.506222 0.0367814   0.101408    -0.0887394  19  THR   A C    
77   O O    . THR   A 7   ? 1.02951  0.674843 0.477642 0.0426154   0.128949    -0.077049   19  THR   A O    
78   C CB   . THR   A 7   ? 0.990361 0.630278 0.504691 0.0386332   0.0973063   -0.0961231  19  THR   A CB   
79   O OG1  . THR   A 7   ? 0.873674 0.537024 0.442435 0.029002    0.0868132   -0.0920858  19  THR   A OG1  
80   C CG2  . THR   A 7   ? 1.07048  0.737911 0.596178 0.0569607   0.133017    -0.0911758  19  THR   A CG2  
81   H H    . THR   A 7   ? 0.886995 0.510463 0.41118  0.00334801  0.0421745   -0.0947342  19  THR   A H    
82   H HA   . THR   A 7   ? 0.90509  0.589374 0.452492 0.0182344   0.0974211   -0.0763765  19  THR   A HA   
83   H HB   . THR   A 7   ? 1.02962  0.630482 0.504779 0.0445736   0.0882636   -0.107685   19  THR   A HB   
85   H HG21 . THR   A 7   ? 1.04782  0.711762 0.581605 0.067038    0.13709     -0.0962673  19  THR   A HG21 
86   H HG22 . THR   A 7   ? 1.00252  0.707031 0.567346 0.049557    0.13963     -0.0806432  19  THR   A HG22 
87   H HG23 . THR   A 7   ? 1.08557  0.737121 0.572434 0.0664633   0.145144    -0.0930358  19  THR   A HG23 
88   N N    . GLU   A 8   ? 1.13557  0.704139 0.517041 0.0417118   0.0822078   -0.103467   20  GLU   A N    
89   C CA   . GLU   A 8   ? 1.24371  0.778201 0.548973 0.0598213   0.0964325   -0.108527   20  GLU   A CA   
90   C C    . GLU   A 8   ? 1.24577  0.77814  0.523507 0.0514059   0.087629    -0.096663   20  GLU   A C    
91   O O    . GLU   A 8   ? 1.35242  0.879405 0.587324 0.0648831   0.112794    -0.0891311  20  GLU   A O    
92   C CB   . GLU   A 8   ? 1.21054  0.683018 0.448745 0.0728803   0.0802997   -0.132482   20  GLU   A CB   
93   H H    . GLU   A 8   ? 1.13698  0.690173 0.522731 0.0338663   0.0598361   -0.110544   20  GLU   A H    
94   H HA   . GLU   A 8   ? 1.21079  0.76314  0.52253  0.0717077   0.125586    -0.103282   20  GLU   A HA   
97   N N    . GLN   A 9   ? 1.198    0.732877 0.49794  0.0312836   0.0533201   -0.0938919  21  GLN   A N    
98   C CA   . GLN   A 9   ? 1.23757  0.76035  0.50258  0.026199    0.0375661   -0.0850187  21  GLN   A CA   
99   C C    . GLN   A 9   ? 1.092    0.658299 0.422111 0.00818764  0.0337896   -0.0656686  21  GLN   A C    
100  O O    . GLN   A 9   ? 1.10015  0.66098  0.414354 0.00286823  0.0186283   -0.0557038  21  GLN   A O    
101  C CB   . GLN   A 9   ? 1.34842  0.826342 0.571105 0.0218592   -0.00584073 -0.102086   21  GLN   A CB   
102  H H    . GLN   A 9   ? 1.16946  0.713793 0.507305 0.0215255   0.0396452   -0.0969034  21  GLN   A H    
103  H HA   . GLN   A 9   ? 1.27175  0.784332 0.494899 0.0387202   0.0572886   -0.0806951  21  GLN   A HA   
106  N N    . GLY   A 10  ? 1.03941  0.646145 0.441969 -0.0005008  0.0437335   -0.0615691  22  GLY   A N    
107  C CA   . GLY   A 10  ? 0.911628 0.553867 0.37457  -0.0168701  0.0353565   -0.0484853  22  GLY   A CA   
108  C C    . GLY   A 10  ? 0.87376  0.536701 0.345105 -0.0159594  0.0614863   -0.0303816  22  GLY   A C    
109  O O    . GLY   A 10  ? 0.854084 0.521171 0.311745 -0.00513251 0.0923691   -0.026854   22  GLY   A O    
110  H H    . GLY   A 10  ? 1.01241  0.624029 0.425411 0.005161    0.0560967   -0.0672017  22  GLY   A H    
111  H HA2  . GLY   A 10  ? 0.927996 0.55911  0.384432 -0.0233698  0.0112284   -0.0490023  22  GLY   A HA2  
112  H HA3  . GLY   A 10  ? 0.876668 0.539785 0.382572 -0.02177    0.0364362   -0.0506933  22  GLY   A HA3  
113  N N    . GLU   A 11  ? 0.867442 0.542439 0.363966 -0.0270734  0.0493034   -0.0184146  23  GLU   A N    
114  C CA   . GLU   A 11  ? 0.869436 0.559564 0.379446 -0.0292293  0.0705739   -1.379e-05  23  GLU   A CA   
115  C C    . GLU   A 11  ? 0.757366 0.489924 0.339977 -0.0378277  0.0861936   0.0024163   23  GLU   A C    
116  O O    . GLU   A 11  ? 0.648172 0.399426 0.274583 -0.0455794  0.0712068   -0.00481683 23  GLU   A O    
117  C CB   . GLU   A 11  ? 0.956181 0.631238 0.452154 -0.0342015  0.0471008   0.0103373   23  GLU   A CB   
118  C CG   . GLU   A 11  ? 1.07516  0.765383 0.601476 -0.0404636  0.0619045   0.0297019   23  GLU   A CG   
119  C CD   . GLU   A 11  ? 1.26985  0.939748 0.774376 -0.0410207  0.0407405   0.0425926   23  GLU   A CD   
120  O OE1  . GLU   A 11  ? 1.48194  1.12448  0.928159 -0.032131   0.0485543   0.0548124   23  GLU   A OE1  
121  O OE2  . GLU   A 11  ? 1.32567  1.0073   0.870331 -0.0484374  0.0182865   0.0420653   23  GLU   A OE2  
122  H H    . GLU   A 11  ? 0.854989 0.528366 0.363126 -0.0335683  0.0271581   -0.0213787  23  GLU   A H    
123  H HA   . GLU   A 11  ? 0.905884 0.584886 0.381706 -0.0202287  0.0893858   0.00377595  23  GLU   A HA   
124  H HB2  . GLU   A 11  ? 1.01658  0.664605 0.459956 -0.0266302  0.0418039   0.0105113   23  GLU   A HB2  
125  H HB3  . GLU   A 11  ? 0.940805 0.621023 0.45938  -0.0402652  0.0255848   0.00427637  23  GLU   A HB3  
126  H HG2  . GLU   A 11  ? 1.02407  0.738367 0.600286 -0.0480314  0.062581    0.0274856   23  GLU   A HG2  
127  H HG3  . GLU   A 11  ? 1.093    0.782684 0.606138 -0.0362768  0.0858237   0.0369122   23  GLU   A HG3  
128  N N    . ASP   A 12  ? 0.72388  0.472109 0.318494 -0.0357733  0.117086    0.0124868   24  ASP   A N    
129  C CA   . ASP   A 12  ? 0.664684 0.452    0.326474 -0.0443952  0.129159    0.0140761   24  ASP   A CA   
130  C C    . ASP   A 12  ? 0.661065 0.454812 0.355056 -0.057233   0.121043    0.0246205   24  ASP   A C    
131  O O    . ASP   A 12  ? 0.667238 0.449641 0.347629 -0.0589669  0.133463    0.0408975   24  ASP   A O    
132  C CB   . ASP   A 12  ? 0.706557 0.511948 0.378896 -0.0389376  0.163364    0.0210788   24  ASP   A CB   
133  C CG   . ASP   A 12  ? 0.632309 0.480217 0.377454 -0.0484314  0.171283    0.0206939   24  ASP   A CG   
134  O OD1  . ASP   A 12  ? 0.578582 0.4379   0.359293 -0.0586753  0.151354    0.0150618   24  ASP   A OD1  
135  O OD2  . ASP   A 12  ? 0.628712 0.498671 0.395091 -0.0451864  0.197418    0.0265526   24  ASP   A OD2  
136  H H    . ASP   A 12  ? 0.770789 0.505113 0.330943 -0.0288481  0.130538    0.0186327   24  ASP   A H    
137  H HA   . ASP   A 12  ? 0.646162 0.44424  0.327963 -0.0450455  0.119452    0.0035202   24  ASP   A HA   
138  H HB2  . ASP   A 12  ? 0.711551 0.510533 0.36074  -0.0282952  0.169327    0.0139559   24  ASP   A HB2  
139  H HB3  . ASP   A 12  ? 0.724031 0.519221 0.37753  -0.0386601  0.17554     0.0335837   24  ASP   A HB3  
140  N N    . ILE   A 13  ? 0.645121 0.453542 0.378134 -0.0646631  0.101079    0.0161672   25  ILE   A N    
141  C CA   . ILE   A 13  ? 0.608178 0.41639  0.366165 -0.0735327  0.0902373   0.0233269   25  ILE   A CA   
142  C C    . ILE   A 13  ? 0.605893 0.442355 0.420929 -0.0824951  0.0997084   0.0216311   25  ILE   A C    
143  O O    . ILE   A 13  ? 0.584372 0.421279 0.42571  -0.0890329  0.0900873   0.0228611   25  ILE   A O    
144  C CB   . ILE   A 13  ? 0.596235 0.398077 0.354692 -0.0737089  0.061852    0.0167418   25  ILE   A CB   
145  C CG1  . ILE   A 13  ? 0.554446 0.3769   0.33907  -0.0737339  0.0538798   0.00206944  25  ILE   A CG1  
146  C CG2  . ILE   A 13  ? 0.706101 0.477365 0.410531 -0.0673696  0.0475155   0.0200567   25  ILE   A CG2  
147  C CD1  . ILE   A 13  ? 0.559894 0.386293 0.363668 -0.0759225  0.0318035   -0.00143452 25  ILE   A CD1  
148  H H    . ILE   A 13  ? 0.612208 0.429783 0.355348 -0.0630804  0.0954018   0.00634536  25  ILE   A H    
149  H HA   . ILE   A 13  ? 0.649402 0.441438 0.385986 -0.0729921  0.0955148   0.0347245   25  ILE   A HA   
150  H HB   . ILE   A 13  ? 0.597953 0.401381 0.376174 -0.0777689  0.0572206   0.0211662   25  ILE   A HB   
151  H HG12 . ILE   A 13  ? 0.573063 0.389031 0.336041 -0.0691657  0.0549899   -0.00241605 25  ILE   A HG12 
152  H HG13 . ILE   A 13  ? 0.539413 0.380062 0.351102 -0.0760615  0.0633747   -0.00056706 25  ILE   A HG13 
153  H HG21 . ILE   A 13  ? 0.676182 0.446827 0.388349 -0.0686933  0.0290248   0.0173165   25  ILE   A HG21 
154  H HG22 . ILE   A 13  ? 0.6989   0.464486 0.380488 -0.0626578  0.051162    0.0140705   25  ILE   A HG22 
155  H HG23 . ILE   A 13  ? 0.713706 0.470988 0.398433 -0.0661971  0.0526868   0.0310028   25  ILE   A HG23 
156  H HD11 . ILE   A 13  ? 0.543234 0.373905 0.366395 -0.0785214  0.0309239   0.00222502  25  ILE   A HD11 
157  H HD12 . ILE   A 13  ? 0.529747 0.369664 0.349501 -0.0757645  0.0306734   -0.00873489 25  ILE   A HD12 
158  H HD13 . ILE   A 13  ? 0.572553 0.383616 0.353952 -0.0743196  0.0198432   0.00038944  25  ILE   A HD13 
159  N N    . THR   A 14  ? 0.558696 0.417675 0.393791 -0.0821471  0.117436    0.0184936   26  THR   A N    
160  C CA   . THR   A 14  ? 0.536925 0.423133 0.42678  -0.091619   0.123159    0.0160469   26  THR   A CA   
161  C C    . THR   A 14  ? 0.564335 0.443402 0.465968 -0.100799   0.139637    0.0330365   26  THR   A C    
162  O O    . THR   A 14  ? 0.612858 0.475782 0.480271 -0.0964566  0.15624     0.0473208   26  THR   A O    
163  C CB   . THR   A 14  ? 0.512905 0.42961  0.425947 -0.0874233  0.133257    0.00774531  26  THR   A CB   
164  O OG1  . THR   A 14  ? 0.530476 0.446842 0.425619 -0.0812264  0.157859    0.0178174   26  THR   A OG1  
165  C CG2  . THR   A 14  ? 0.468852 0.389258 0.370649 -0.078392   0.118685    -0.00612934 26  THR   A CG2  
166  H H    . THR   A 14  ? 0.581238 0.438466 0.395976 -0.0753388  0.125096    0.0172752   26  THR   A H    
167  H HA   . THR   A 14  ? 0.516933 0.405597 0.422684 -0.0946616  0.108938    0.00929413  26  THR   A HA   
168  H HB   . THR   A 14  ? 0.490924 0.425879 0.44163  -0.0945862  0.132909    0.00523771  26  THR   A HB   
170  H HG21 . THR   A 14  ? 0.466375 0.405493 0.383807 -0.0747307  0.124604    -0.0102397  26  THR   A HG21 
171  H HG22 . THR   A 14  ? 0.493936 0.395521 0.361113 -0.0724741  0.117119    -0.00507913 26  THR   A HG22 
172  H HG23 . THR   A 14  ? 0.45774  0.379889 0.371504 -0.0817464  0.104935    -0.0115139  26  THR   A HG23 
173  N N    . SER   A 15  ? 0.600523 0.489316 0.549011 -0.1132     0.135279    0.031385    27  SER   A N    
174  C CA   . SER   A 15  ? 0.630751 0.514111 0.603262 -0.125474   0.15109     0.0477261   27  SER   A CA   
175  C C    . SER   A 15  ? 0.62799  0.537891 0.623327 -0.12781    0.176997    0.0554848   27  SER   A C    
176  O O    . SER   A 15  ? 0.694345 0.596138 0.685782 -0.13182    0.200503    0.0763355   27  SER   A O    
177  C CB   . SER   A 15  ? 0.658132 0.543885 0.677337 -0.138144   0.137034    0.0392797   27  SER   A CB   
178  O OG   . SER   A 15  ? 0.676559 0.539995 0.677834 -0.133225   0.115985    0.0324874   27  SER   A OG   
179  H H    . SER   A 15  ? 0.564718 0.462149 0.530146 -0.114098   0.122092    0.0197123   27  SER   A H    
180  H HA   . SER   A 15  ? 0.662863 0.52199  0.605474 -0.123259   0.154358    0.060097    27  SER   A HA   
181  H HB2  . SER   A 15  ? 0.62951  0.538642 0.675383 -0.139948   0.132537    0.0269987   27  SER   A HB2  
182  H HB3  . SER   A 15  ? 0.671626 0.55083  0.708561 -0.147619   0.146989    0.0507674   27  SER   A HB3  
184  N N    . LYS   A 16  ? 0.568092 0.511397 0.589894 -0.124391   0.173868    0.0404579   28  LYS   A N    
185  C CA   . LYS   A 16  ? 0.654616 0.630356 0.706441 -0.123972   0.19715     0.0464768   28  LYS   A CA   
186  C C    . LYS   A 16  ? 0.628802 0.596864 0.631041 -0.106912   0.219261    0.0550805   28  LYS   A C    
187  O O    . LYS   A 16  ? 0.606781 0.599263 0.630118 -0.103999   0.244527    0.0637932   28  LYS   A O    
188  C CB   . LYS   A 16  ? 0.674143 0.687709 0.767516 -0.122338   0.184023    0.0279716   28  LYS   A CB   
189  C CG   . LYS   A 16  ? 0.666108 0.691518 0.811235 -0.138505   0.163913    0.017429    28  LYS   A CG   
190  C CD   . LYS   A 16  ? 0.751984 0.821341 0.94732  -0.138875   0.155771    0.00470698  28  LYS   A CD   
191  C CE   . LYS   A 16  ? 0.786    0.854911 0.991732 -0.142264   0.124614    -0.0160421  28  LYS   A CE   
192  N NZ   . LYS   A 16  ? 0.85276  0.961915 1.11448  -0.147714   0.113402    -0.0265782  28  LYS   A NZ   
193  H H    . LYS   A 16  ? 0.570702 0.517617 0.593029 -0.121426   0.157311    0.0270999   28  LYS   A H    
194  H HA   . LYS   A 16  ? 0.648564 0.628228 0.729514 -0.135454   0.207981    0.057606    28  LYS   A HA   
195  H HB2  . LYS   A 16  ? 0.651461 0.65889  0.717689 -0.112155   0.172716    0.0180054   28  LYS   A HB2  
196  H HB3  . LYS   A 16  ? 0.665941 0.70231  0.778341 -0.119427   0.199613    0.0325581   28  LYS   A HB3  
197  H HG2  . LYS   A 16  ? 0.701406 0.720997 0.866308 -0.150357   0.171976    0.0278878   28  LYS   A HG2  
198  H HG3  . LYS   A 16  ? 0.679518 0.687581 0.805283 -0.136793   0.147002    0.00855804  28  LYS   A HG3  
199  H HD2  . LYS   A 16  ? 0.72942  0.809285 0.909557 -0.125911   0.160947    0.00308128  28  LYS   A HD2  
200  H HD3  . LYS   A 16  ? 0.743717 0.831245 0.979992 -0.148995   0.165791    0.0120922   28  LYS   A HD3  
201  H HE2  . LYS   A 16  ? 0.797217 0.846154 1.0042   -0.151479   0.118833    -0.0158296  28  LYS   A HE2  
202  H HE3  . LYS   A 16  ? 0.78048  0.841275 0.953485 -0.130796   0.11672     -0.0229498  28  LYS   A HE3  
203  H HZ1  . LYS   A 16  ? 0.835391 0.952269 1.13243  -0.160439   0.118602    -0.0208566  28  LYS   A HZ1  
204  H HZ2  . LYS   A 16  ? 0.819684 0.948294 1.08315  -0.138367   0.119664    -0.0253648  28  LYS   A HZ2  
205  H HZ3  . LYS   A 16  ? 0.818706 0.925712 1.07881  -0.147311   0.0943849   -0.0399748  28  LYS   A HZ3  
206  N N    . LYS   A 17  ? 0.653807 0.589854 0.592416 -0.0944843  0.20904     0.0508236   29  LYS   A N    
207  C CA   . LYS   A 17  ? 0.703986 0.627021 0.589087 -0.0768878  0.226487    0.0543522   29  LYS   A CA   
208  C C    . LYS   A 17  ? 0.700215 0.655447 0.608255 -0.0658144  0.235504    0.0436663   29  LYS   A C    
209  O O    . LYS   A 17  ? 0.67392  0.640555 0.578008 -0.0554123  0.263714    0.0515798   29  LYS   A O    
210  C CB   . LYS   A 17  ? 0.776866 0.68486  0.636413 -0.0759928  0.256463    0.0779853   29  LYS   A CB   
211  C CG   . LYS   A 17  ? 0.837912 0.706841 0.660895 -0.0818307  0.24587     0.0901451   29  LYS   A CG   
212  C CD   . LYS   A 17  ? 0.903169 0.736402 0.656768 -0.0690949  0.223397    0.0804668   29  LYS   A CD   
213  C CE   . LYS   A 17  ? 1.04665  0.843787 0.764883 -0.0720412  0.208479    0.0921803   29  LYS   A CE   
214  N NZ   . LYS   A 17  ? 1.03012  0.826988 0.772087 -0.0789601  0.174783    0.078524    29  LYS   A NZ   
215  H H    . LYS   A 17  ? 0.643435 0.565431 0.572492 -0.0966804  0.190468    0.0449252   29  LYS   A H    
216  H HA   . LYS   A 17  ? 0.712839 0.612683 0.559041 -0.0710965  0.211308    0.0478684   29  LYS   A HA   
217  H HB2  . LYS   A 17  ? 0.774054 0.705262 0.677439 -0.0841302  0.271879    0.0865484   29  LYS   A HB2  
218  H HB3  . LYS   A 17  ? 0.805338 0.705726 0.627795 -0.0622437  0.269121    0.0781635   29  LYS   A HB3  
219  H HG2  . LYS   A 17  ? 0.814928 0.688537 0.672805 -0.093808   0.23228     0.0880755   29  LYS   A HG2  
220  H HG3  . LYS   A 17  ? 0.874848 0.736848 0.686791 -0.0820756  0.267104    0.10748     29  LYS   A HG3  
221  H HD2  . LYS   A 17  ? 0.944885 0.770316 0.661211 -0.0569013  0.235937    0.0806925   29  LYS   A HD2  
222  H HD3  . LYS   A 17  ? 0.881949 0.723533 0.649602 -0.069347   0.204855    0.064972    29  LYS   A HD3  
223  H HE2  . LYS   A 17  ? 1.03776  0.833729 0.770723 -0.0791627  0.222016    0.107849    29  LYS   A HE2  
224  H HE3  . LYS   A 17  ? 1.0601   0.834482 0.724679 -0.0613557  0.207664    0.0938457   29  LYS   A HE3  
225  H HZ1  . LYS   A 17  ? 0.990104 0.806822 0.777109 -0.0872705  0.174595    0.0744303   29  LYS   A HZ1  
226  H HZ2  . LYS   A 17  ? 1.01201  0.807402 0.738139 -0.0728794  0.16241     0.0663947   29  LYS   A HZ2  
227  H HZ3  . LYS   A 17  ? 1.03826  0.816262 0.76594  -0.0804424  0.166564    0.0865845   29  LYS   A HZ3  
228  N N    . ASP   A 18  ? 0.58539  0.554195 0.514438 -0.0653947  0.212325    0.0263843   30  ASP   A N    
229  C CA   . ASP   A 18  ? 0.584104 0.581636 0.535929 -0.053752   0.216212    0.0167608   30  ASP   A CA   
230  C C    . ASP   A 18  ? 0.586883 0.559224 0.48983  -0.0386922  0.202361    0.00356937  30  ASP   A C    
231  O O    . ASP   A 18  ? 0.560927 0.550236 0.480225 -0.029352   0.196719    -0.00633931 30  ASP   A O    
232  C CB   . ASP   A 18  ? 0.537285 0.571262 0.553821 -0.0645733  0.199727    0.00863764  30  ASP   A CB   
233  C CG   . ASP   A 18  ? 0.476259 0.49614  0.48821  -0.0727718  0.169245    -0.00253672 30  ASP   A CG   
234  O OD1  . ASP   A 18  ? 0.473159 0.461038 0.438259 -0.0682905  0.159183    -0.00524744 30  ASP   A OD1  
235  O OD2  . ASP   A 18  ? 0.463765 0.504769 0.518729 -0.082829   0.156126    -0.00857893 30  ASP   A OD2  
236  H H    . ASP   A 18  ? 0.590057 0.549424 0.51829  -0.0714434  0.193679    0.0211313   30  ASP   A H    
237  H HA   . ASP   A 18  ? 0.599069 0.608296 0.556717 -0.0479344  0.238535    0.0244726   30  ASP   A HA   
238  H HB2  . ASP   A 18  ? 0.52153  0.57454  0.551984 -0.0554736  0.20069     0.00315465  30  ASP   A HB2  
239  H HB3  . ASP   A 18  ? 0.530572 0.580343 0.581471 -0.0748253  0.20853     0.0164572   30  ASP   A HB3  
240  N N    . ARG   A 19  ? 0.603486 0.534765 0.449906 -0.0375537  0.193872    0.00398641  31  ARG   A N    
241  C CA   . ARG   A 19  ? 0.648955 0.550785 0.450796 -0.0281161  0.176508    -0.00798653 31  ARG   A CA   
242  C C    . ARG   A 19  ? 0.58577  0.499627 0.415066 -0.0319044  0.152736    -0.0191197  31  ARG   A C    
243  O O    . ARG   A 19  ? 0.562817 0.459967 0.36937  -0.0235758  0.14213     -0.0281147  31  ARG   A O    
244  C CB   . ARG   A 19  ? 0.658494 0.546008 0.42247  -0.00806733 0.193542    -0.0124057  31  ARG   A CB   
245  C CG   . ARG   A 19  ? 0.711699 0.578197 0.430451 -0.00148654 0.216399    -0.00171822 31  ARG   A CG   
246  C CD   . ARG   A 19  ? 0.760932 0.617379 0.445508 0.0218107   0.239739    -0.00665683 31  ARG   A CD   
247  N NE   . ARG   A 19  ? 0.765725 0.59068  0.414519 0.0318181   0.219488    -0.0245001  31  ARG   A NE   
248  C CZ   . ARG   A 19  ? 0.799039 0.579121 0.390902 0.0314872   0.198825    -0.0322474  31  ARG   A CZ   
249  N NH1  . ARG   A 19  ? 0.858517 0.618089 0.412711 0.0263318   0.197676    -0.0235761  31  ARG   A NH1  
250  N NH2  . ARG   A 19  ? 0.860047 0.612813 0.429237 0.0377471   0.180113    -0.047907   31  ARG   A NH2  
251  H H    . ARG   A 19  ? 0.628713 0.54944  0.46522  -0.0434268  0.198351    0.0127996   31  ARG   A H    
252  H HA   . ARG   A 19  ? 0.648691 0.526218 0.420568 -0.0316032  0.168286    -0.00554061 31  ARG   A HA   
253  H HB2  . ARG   A 19  ? 0.651739 0.564307 0.445986 -0.00264367 0.203799    -0.0132872  31  ARG   A HB2  
254  H HB3  . ARG   A 19  ? 0.671572 0.53749  0.409623 -0.00370356 0.17942     -0.0213385  31  ARG   A HB3  
255  H HG2  . ARG   A 19  ? 0.731724 0.570212 0.414025 -0.00424099 0.203656    -0.00205848 31  ARG   A HG2  
256  H HG3  . ARG   A 19  ? 0.706517 0.592397 0.452738 -0.00862445 0.229532    0.00945502  31  ARG   A HG3  
257  H HD2  . ARG   A 19  ? 0.799116 0.638787 0.446921 0.0273129   0.254475    3.439e-05   31  ARG   A HD2  
258  H HD3  . ARG   A 19  ? 0.741685 0.629105 0.465788 0.0253417   0.254389    -0.00408444 31  ARG   A HD3  
259  H HE   . ARG   A 19  ? 0.754778 0.591253 0.423107 0.0380463   0.220406    -0.030017   31  ARG   A HE   
260  H HH11 . ARG   A 19  ? 0.878066 0.636396 0.414292 0.0327018   0.217785    -0.0158482  31  ARG   A HH11 
261  H HH12 . ARG   A 19  ? 0.84309  0.590464 0.390249 0.0171726   0.177069    -0.0246449  31  ARG   A HH12 
262  H HH21 . ARG   A 19  ? 0.827347 0.591108 0.418811 0.0425815   0.181505    -0.0524689  31  ARG   A HH21 
263  H HH22 . ARG   A 19  ? 0.869771 0.592598 0.402336 0.0368508   0.165505    -0.0534222  31  ARG   A HH22 
264  N N    . GLY   A 20  ? 0.512675 0.448517 0.384311 -0.0449141  0.142648    -0.0183127  32  GLY   A N    
265  C CA   . GLY   A 20  ? 0.512948 0.462284 0.407341 -0.0461632  0.123731    -0.0276439  32  GLY   A CA   
266  C C    . GLY   A 20  ? 0.477441 0.401407 0.346613 -0.049294   0.10374     -0.0309744  32  GLY   A C    
267  O O    . GLY   A 20  ? 0.495685 0.423883 0.37142  -0.0467744  0.0918822   -0.0367982  32  GLY   A O    
268  H H    . GLY   A 20  ? 0.5301   0.470427 0.414266 -0.0525533  0.147799    -0.0118299  32  GLY   A H    
269  H HA2  . GLY   A 20  ? 0.495734 0.453101 0.393013 -0.0371649  0.126736    -0.0313639  32  GLY   A HA2  
270  H HA3  . GLY   A 20  ? 0.478209 0.44673  0.404107 -0.0533207  0.121209    -0.0276518  32  GLY   A HA3  
271  N N    . VAL   A 21  ? 0.518091 0.417883 0.361474 -0.0545371  0.100429    -0.0253765  33  VAL   A N    
272  C CA   . VAL   A 21  ? 0.540734 0.420524 0.367374 -0.0582824  0.0807565   -0.0266443  33  VAL   A CA   
273  C C    . VAL   A 21  ? 0.544176 0.390861 0.322412 -0.0552625  0.0805629   -0.0224843  33  VAL   A C    
274  O O    . VAL   A 21  ? 0.557802 0.396663 0.325171 -0.0581521  0.0875005   -0.0131287  33  VAL   A O    
275  C CB   . VAL   A 21  ? 0.497444 0.385255 0.349858 -0.0676766  0.0696136   -0.0243416  33  VAL   A CB   
276  C CG1  . VAL   A 21  ? 0.477031 0.349802 0.318081 -0.0691969  0.0506799   -0.0247228  33  VAL   A CG1  
277  C CG2  . VAL   A 21  ? 0.453454 0.370894 0.347014 -0.06995    0.0705609   -0.0298069  33  VAL   A CG2  
278  H H    . VAL   A 21  ? 0.533118 0.429977 0.370718 -0.0555537  0.111091    -0.0193806  33  VAL   A H    
279  H HA   . VAL   A 21  ? 0.516518 0.396212 0.342926 -0.0550762  0.0743067   -0.0317616  33  VAL   A HA   
280  H HB   . VAL   A 21  ? 0.507316 0.388714 0.355635 -0.0708904  0.0745253   -0.0181122  33  VAL   A HB   
281  H HG11 . VAL   A 21  ? 0.478422 0.352297 0.318547 -0.0664785  0.0469058   -0.0289803  33  VAL   A HG11 
282  H HG12 . VAL   A 21  ? 0.507477 0.361542 0.323913 -0.0690141  0.047432    -0.0210749  33  VAL   A HG12 
283  H HG13 . VAL   A 21  ? 0.468367 0.349021 0.328639 -0.0727016  0.0453624   -0.0239807  33  VAL   A HG13 
284  H HG21 . VAL   A 21  ? 0.44856  0.366694 0.353616 -0.0742292  0.0639144   -0.0296956  33  VAL   A HG21 
285  H HG22 . VAL   A 21  ? 0.458065 0.385901 0.363251 -0.0708095  0.0807658   -0.028692   33  VAL   A HG22 
286  H HG23 . VAL   A 21  ? 0.446584 0.370978 0.342713 -0.0656811  0.067189    -0.0344231  33  VAL   A HG23 
287  N N    . LEU   A 22  ? 0.541204 0.365708 0.289023 -0.0495906  0.0708106   -0.0293398  34  LEU   A N    
288  C CA   . LEU   A 22  ? 0.581788 0.370141 0.276396 -0.0453989  0.0643598   -0.0298027  34  LEU   A CA   
289  C C    . LEU   A 22  ? 0.604896 0.377435 0.294266 -0.0524484  0.0357246   -0.0321947  34  LEU   A C    
290  O O    . LEU   A 22  ? 0.556411 0.338959 0.273667 -0.0566203  0.0249389   -0.0366545  34  LEU   A O    
291  C CB   . LEU   A 22  ? 0.670125 0.44185  0.333182 -0.0323032  0.0754573   -0.0384382  34  LEU   A CB   
292  C CG   . LEU   A 22  ? 0.653048 0.445759 0.32789  -0.022993   0.105459    -0.0353278  34  LEU   A CG   
293  C CD1  . LEU   A 22  ? 0.679926 0.45815  0.332036 -0.00731729 0.114252    -0.0456716  34  LEU   A CD1  
294  C CD2  . LEU   A 22  ? 0.650717 0.438206 0.302011 -0.0214213  0.123676    -0.0236927  34  LEU   A CD2  
295  H H    . LEU   A 22  ? 0.530829 0.361438 0.290729 -0.0482246  0.066967    -0.0343357  34  LEU   A H    
296  H HA   . LEU   A 22  ? 0.612152 0.39716  0.295149 -0.0456067  0.0720859   -0.0224358  34  LEU   A HA   
297  H HB2  . LEU   A 22  ? 0.641155 0.412468 0.314814 -0.032439   0.0666757   -0.0447258  34  LEU   A HB2  
298  H HB3  . LEU   A 22  ? 0.692303 0.437004 0.314431 -0.0285332  0.0706196   -0.0403771  34  LEU   A HB3  
299  H HG   . LEU   A 22  ? 0.611731 0.432013 0.327607 -0.0278339  0.107701    -0.033244   34  LEU   A HG   
300  H HD11 . LEU   A 22  ? 0.660956 0.442042 0.329949 -0.00875145 0.103675    -0.0507451  34  LEU   A HD11 
301  H HD12 . LEU   A 22  ? 0.678698 0.474029 0.342883 -0.00051376 0.1338      -0.042746   34  LEU   A HD12 
302  H HD13 . LEU   A 22  ? 0.720861 0.468983 0.329581 -0.00199545 0.110824    -0.0499088  34  LEU   A HD13 
303  H HD21 . LEU   A 22  ? 0.641906 0.43919  0.313085 -0.0309921  0.119225    -0.0166092  34  LEU   A HD21 
304  H HD22 . LEU   A 22  ? 0.700183 0.459246 0.30657  -0.0163282  0.119458    -0.0254829  34  LEU   A HD22 
305  H HD23 . LEU   A 22  ? 0.6622   0.464345 0.323581 -0.015446   0.144049    -0.0210236  34  LEU   A HD23 
306  N N    . LYS   A 23  ? 0.63708  0.388499 0.295385 -0.0537524  0.0242041   -0.0268926  35  LYS   A N    
307  C CA   . LYS   A 23  ? 0.656194 0.399434 0.318586 -0.0609643  -0.00445824 -0.0261164  35  LYS   A CA   
308  C C    . LYS   A 23  ? 0.730893 0.435424 0.335315 -0.0568286  -0.0226831  -0.0306668  35  LYS   A C    
309  O O    . LYS   A 23  ? 0.783335 0.467852 0.340012 -0.0487031  -0.0132013  -0.0263587  35  LYS   A O    
310  C CB   . LYS   A 23  ? 0.702747 0.459707 0.388862 -0.0657629  -0.00749205 -0.0138139  35  LYS   A CB   
311  C CG   . LYS   A 23  ? 0.710157 0.465129 0.409416 -0.0711744  -0.0368145  -0.0110697  35  LYS   A CG   
312  C CD   . LYS   A 23  ? 0.641533 0.407033 0.363582 -0.0723736  -0.0388803  0.00118111  35  LYS   A CD   
313  C CE   . LYS   A 23  ? 0.670579 0.437577 0.409138 -0.0750042  -0.0674577  0.00468714  35  LYS   A CE   
314  N NZ   . LYS   A 23  ? 0.634943 0.404222 0.386196 -0.0723043  -0.0711248  0.0175032   35  LYS   A NZ   
315  H H    . LYS   A 23  ? 0.665085 0.407746 0.299077 -0.0492696  0.0350434   -0.0225906  35  LYS   A H    
316  H HA   . LYS   A 23  ? 0.642581 0.395616 0.330744 -0.0649911  -0.0117834  -0.0304057  35  LYS   A HA   
317  H HB2  . LYS   A 23  ? 0.65361  0.432554 0.373895 -0.0681605  0.00269907  -0.0127229  35  LYS   A HB2  
318  H HB3  . LYS   A 23  ? 0.713343 0.459076 0.373965 -0.0621512  0.00067436  -0.00771873 35  LYS   A HB3  
319  H HG2  . LYS   A 23  ? 0.731368 0.464248 0.396531 -0.0692759  -0.0501603  -0.0131604  35  LYS   A HG2  
320  H HG3  . LYS   A 23  ? 0.670429 0.438203 0.397739 -0.0751935  -0.0425314  -0.0154278  35  LYS   A HG3  
321  H HD2  . LYS   A 23  ? 0.626164 0.41127  0.38061  -0.0741775  -0.0273647  0.00124712  35  LYS   A HD2  
322  H HD3  . LYS   A 23  ? 0.685399 0.437062 0.380138 -0.0688233  -0.0319201  0.00745442  35  LYS   A HD3  
323  H HE2  . LYS   A 23  ? 0.688194 0.436692 0.396767 -0.0742726  -0.0821929  0.00213679  35  LYS   A HE2  
324  H HE3  . LYS   A 23  ? 0.627022 0.41161  0.399229 -0.0788164  -0.0705541  0.00099557  35  LYS   A HE3  
325  H HZ1  . LYS   A 23  ? 0.675911 0.427512 0.394875 -0.0688426  -0.0685125  0.0228914   35  LYS   A HZ1  
326  H HZ2  . LYS   A 23  ? 0.619414 0.402977 0.397062 -0.0729421  -0.0584199  0.0183806   35  LYS   A HZ2  
327  H HZ3  . LYS   A 23  ? 0.647967 0.421232 0.413144 -0.0728854  -0.088794   0.0195156   35  LYS   A HZ3  
328  N N    . ILE   A 24  ? 0.756251 0.44974  0.364905 -0.0627914  -0.0496752  -0.038793   36  ILE   A N    
329  C CA   . ILE   A 24  ? 0.784509 0.445149 0.349814 -0.0628433  -0.0790169  -0.0432608  36  ILE   A CA   
330  C C    . ILE   A 24  ? 0.791229 0.468779 0.399758 -0.0740101  -0.107452   -0.0369321  36  ILE   A C    
331  O O    . ILE   A 24  ? 0.748278 0.447943 0.410139 -0.0834083  -0.113954   -0.0375305  36  ILE   A O    
332  C CB   . ILE   A 24  ? 0.887697 0.514341 0.417409 -0.0603981  -0.0900742  -0.0606819  36  ILE   A CB   
333  C CG1  . ILE   A 24  ? 0.947733 0.558138 0.434049 -0.0454071  -0.0601405  -0.0666596  36  ILE   A CG1  
334  C CG2  . ILE   A 24  ? 0.946961 0.538756 0.434712 -0.0625918  -0.127929   -0.0683423  36  ILE   A CG2  
335  C CD1  . ILE   A 24  ? 1.02904  0.594728 0.463678 -0.0382602  -0.0710414  -0.0855618  36  ILE   A CD1  
336  H H    . ILE   A 24  ? 0.71715  0.42402  0.357552 -0.0673323  -0.0505794  -0.0413672  36  ILE   A H    
337  H HA   . ILE   A 24  ? 0.834594 0.4828   0.364283 -0.0562071  -0.0736084  -0.0386767  36  ILE   A HA   
338  H HB   . ILE   A 24  ? 0.852184 0.490698 0.41869  -0.067159   -0.0928985  -0.0632552  36  ILE   A HB   
339  H HG12 . ILE   A 24  ? 0.96164  0.568688 0.420989 -0.0390231  -0.0498212  -0.0599998  36  ILE   A HG12 
340  H HG13 . ILE   A 24  ? 0.904182 0.537228 0.423777 -0.0455287  -0.0419421  -0.0641102  36  ILE   A HG13 
341  H HG21 . ILE   A 24  ? 0.97566  0.544561 0.44585  -0.062658   -0.136871   -0.0809575  36  ILE   A HG21 
342  H HG22 . ILE   A 24  ? 0.983608 0.56006  0.427389 -0.0542309  -0.125388   -0.0657671  36  ILE   A HG22 
343  H HG23 . ILE   A 24  ? 0.928091 0.535385 0.450707 -0.071822   -0.146204   -0.0630579  36  ILE   A HG23 
344  H HD11 . ILE   A 24  ? 1.01056  0.575139 0.47126  -0.046763   -0.0862126  -0.0911406  36  ILE   A HD11 
345  H HD12 . ILE   A 24  ? 1.02966  0.59163  0.448883 -0.0278354  -0.0483904  -0.0887273  36  ILE   A HD12 
346  H HD13 . ILE   A 24  ? 1.07042  0.610699 0.460559 -0.0349062  -0.0857046  -0.0891372  36  ILE   A HD13 
347  N N    . VAL   A 25  ? 0.778961 0.444895 0.362478 -0.0716585  -0.125485   -0.0298014  37  VAL   A N    
348  C CA   . VAL   A 25  ? 0.793503 0.473828 0.41523  -0.0797199  -0.156325   -0.0241335  37  VAL   A CA   
349  C C    . VAL   A 25  ? 0.873406 0.531447 0.483088 -0.0870709  -0.189682   -0.0380536  37  VAL   A C    
350  O O    . VAL   A 25  ? 0.917476 0.536159 0.46115  -0.0811463  -0.203515   -0.0480075  37  VAL   A O    
351  C CB   . VAL   A 25  ? 0.817853 0.490698 0.414937 -0.0727547  -0.167702   -0.010779   37  VAL   A CB   
352  C CG1  . VAL   A 25  ? 0.81558  0.508378 0.460619 -0.0791829  -0.200506   -0.00446993 37  VAL   A CG1  
353  C CG2  . VAL   A 25  ? 0.779533 0.466217 0.385435 -0.0669023  -0.134605   0.00276255  37  VAL   A CG2  
354  H H    . VAL   A 25  ? 0.826052 0.475355 0.368256 -0.0640585  -0.118205   -0.0274267  37  VAL   A H    
355  H HA   . VAL   A 25  ? 0.749354 0.457506 0.42144  -0.0845908  -0.149019   -0.0199486  37  VAL   A HA   
356  H HB   . VAL   A 25  ? 0.869532 0.513336 0.411975 -0.0671759  -0.176071   -0.0148649  37  VAL   A HB   
357  H HG11 . VAL   A 25  ? 0.76698  0.487207 0.464328 -0.0843835  -0.19241    -0.00241333 37  VAL   A HG11 
358  H HG12 . VAL   A 25  ? 0.841425 0.521619 0.475526 -0.0832662  -0.224983   -0.012265   37  VAL   A HG12 
359  H HG13 . VAL   A 25  ? 0.827247 0.517988 0.462489 -0.0734218  -0.205182   0.00572496  37  VAL   A HG13 
360  H HG21 . VAL   A 25  ? 0.80707  0.484944 0.395108 -0.0622138  -0.14181    0.0123649   37  VAL   A HG21 
361  H HG22 . VAL   A 25  ? 0.789768 0.467318 0.370345 -0.0632435  -0.113912   -0.00035447 37  VAL   A HG22 
362  H HG23 . VAL   A 25  ? 0.737407 0.450044 0.392615 -0.07129    -0.127523   0.00507787  37  VAL   A HG23 
363  N N    . LYS   A 26  ? 0.836357 0.517976 0.50917  -0.100009   -0.203091   -0.0384777  38  LYS   A N    
364  C CA   . LYS   A 26  ? 0.881114 0.542067 0.553209 -0.110728   -0.236616   -0.0507804  38  LYS   A CA   
365  C C    . LYS   A 26  ? 0.854478 0.527794 0.556221 -0.118154   -0.275994   -0.0446885  38  LYS   A C    
366  O O    . LYS   A 26  ? 0.910528 0.556226 0.586906 -0.123576   -0.311872   -0.0558752  38  LYS   A O    
367  C CB   . LYS   A 26  ? 0.816056 0.490645 0.538617 -0.121756   -0.22593    -0.0539709  38  LYS   A CB   
368  C CG   . LYS   A 26  ? 0.809925 0.469251 0.502191 -0.113054   -0.192319   -0.0614175  38  LYS   A CG   
369  C CD   . LYS   A 26  ? 0.848115 0.457564 0.457115 -0.101434   -0.192943   -0.0772068  38  LYS   A CD   
370  C CE   . LYS   A 26  ? 0.873196 0.445406 0.465862 -0.108839   -0.218629   -0.0935955  38  LYS   A CE   
371  N NZ   . LYS   A 26  ? 0.973823 0.49461  0.485071 -0.0951301  -0.216566   -0.111629   38  LYS   A NZ   
372  H H    . LYS   A 26  ? 0.793532 0.503519 0.510575 -0.102438   -0.191037   -0.0309742  38  LYS   A H    
373  H HA   . LYS   A 26  ? 0.912542 0.539305 0.528694 -0.105216   -0.241433   -0.061331   38  LYS   A HA   
374  H HB2  . LYS   A 26  ? 0.778282 0.48651  0.551866 -0.125474   -0.217907   -0.0433203  38  LYS   A HB2  
375  H HB3  . LYS   A 26  ? 0.84817  0.508672 0.575949 -0.130877   -0.249788   -0.0609813  38  LYS   A HB3  
376  H HG2  . LYS   A 26  ? 0.769767 0.449901 0.471627 -0.107015   -0.169413   -0.053537   38  LYS   A HG2  
377  H HG3  . LYS   A 26  ? 0.787756 0.451555 0.509633 -0.120153   -0.190361   -0.0627858  38  LYS   A HG3  
378  H HD2  . LYS   A 26  ? 0.875379 0.475746 0.45161  -0.0958369  -0.20109    -0.0757107  38  LYS   A HD2  
379  H HD3  . LYS   A 26  ? 0.835188 0.445853 0.43242  -0.0931063  -0.166321   -0.0774909  38  LYS   A HD3  
380  H HE2  . LYS   A 26  ? 0.86001  0.441849 0.489576 -0.115428   -0.211386   -0.0924803  38  LYS   A HE2  
381  H HE3  . LYS   A 26  ? 0.90268  0.473845 0.50651  -0.117449   -0.247149   -0.093836   38  LYS   A HE3  
382  H HZ1  . LYS   A 26  ? 0.949787 0.471062 0.457753 -0.088267   -0.192314   -0.112528   38  LYS   A HZ1  
383  H HZ2  . LYS   A 26  ? 0.98732  0.500436 0.46051  -0.0868146  -0.21702    -0.11072    38  LYS   A HZ2  
384  H HZ3  . LYS   A 26  ? 0.999875 0.494883 0.500987 -0.100983   -0.238902   -0.122843   38  LYS   A HZ3  
385  N N    . ARG   A 27  ? 0.807723 0.522003 0.564843 -0.117785   -0.271434   -0.0281077  39  ARG   A N    
386  C CA   . ARG   A 27  ? 0.857131 0.587041 0.645075 -0.121115   -0.307989   -0.0201359  39  ARG   A CA   
387  C C    . ARG   A 27  ? 0.83069  0.576865 0.6192   -0.107312   -0.295754   -0.00390483 39  ARG   A C    
388  O O    . ARG   A 27  ? 0.773908 0.545186 0.594566 -0.10326    -0.262573   0.00432349  39  ARG   A O    
389  C CB   . ARG   A 27  ? 0.833389 0.600826 0.710584 -0.137387   -0.321725   -0.015807   39  ARG   A CB   
390  C CG   . ARG   A 27  ? 0.881191 0.676804 0.805469 -0.138403   -0.35486    -0.00416658 39  ARG   A CG   
391  C CD   . ARG   A 27  ? 0.967327 0.795984 0.975034 -0.15554    -0.381908   -0.00015069 39  ARG   A CD   
392  N NE   . ARG   A 27  ? 1.01068  0.875132 1.09482  -0.167655   -0.359219   0.00654024  39  ARG   A NE   
393  C CZ   . ARG   A 27  ? 0.949061 0.858853 1.0939   -0.162765   -0.328546   0.021623    39  ARG   A CZ   
394  N NH1  . ARG   A 27  ? 0.831396 0.751094 0.96256  -0.144915   -0.30498    0.0287098   39  ARG   A NH1  
395  N NH2  . ARG   A 27  ? 0.988623 0.929629 1.20413  -0.175885   -0.318559   0.0290317   39  ARG   A NH2  
396  H H    . ARG   A 27  ? 0.777224 0.510205 0.554369 -0.114622   -0.245739   -0.0220367  39  ARG   A H    
397  H HA   . ARG   A 27  ? 0.901124 0.602966 0.64727  -0.120952   -0.333476   -0.028184   39  ARG   A HA   
398  H HB2  . ARG   A 27  ? 0.861961 0.61227  0.73401  -0.147039   -0.335215   -0.0259682  39  ARG   A HB2  
399  H HB3  . ARG   A 27  ? 0.794678 0.585454 0.706046 -0.13727    -0.294878   -0.00989383 39  ARG   A HB3  
400  H HG2  . ARG   A 27  ? 0.861502 0.678253 0.80418  -0.129537   -0.337243   0.00670535  39  ARG   A HG2  
401  H HG3  . ARG   A 27  ? 0.936027 0.707028 0.813915 -0.133419   -0.377103   -0.00807633 39  ARG   A HG3  
402  H HD2  . ARG   A 27  ? 0.961718 0.811224 0.995328 -0.150776   -0.396255   0.00937654  39  ARG   A HD2  
403  H HD3  . ARG   A 27  ? 1.00484  0.808208 0.988852 -0.163395   -0.409374   -0.0110922  39  ARG   A HD3  
404  H HE   . ARG   A 27  ? 0.998635 0.851357 1.08662  -0.178917   -0.366107   -0.00013786 39  ARG   A HE   
405  H HH11 . ARG   A 27  ? 0.872574 0.767569 0.951392 -0.136989   -0.300878   0.0239372   39  ARG   A HH11 
406  H HH12 . ARG   A 27  ? 0.831622 0.781756 1.00624  -0.140774   -0.292742   0.0382712   39  ARG   A HH12 
407  H HH21 . ARG   A 27  ? 0.98313  0.917665 1.21381  -0.189367   -0.335797   0.0254782   39  ARG   A HH21 
408  H HH22 . ARG   A 27  ? 0.930326 0.897571 1.17706  -0.171042   -0.294279   0.0378415   39  ARG   A HH22 
409  N N    . VAL   A 28  ? 0.879208 0.607485 0.628792 -0.0992127  -0.323326   0.00061724  40  VAL   A N    
410  C CA   . VAL   A 28  ? 0.868461 0.602903 0.610679 -0.0851212  -0.31044    0.017196    40  VAL   A CA   
411  C C    . VAL   A 28  ? 0.854626 0.636395 0.684705 -0.0860256  -0.315723   0.0305273   40  VAL   A C    
412  O O    . VAL   A 28  ? 0.862223 0.666375 0.742913 -0.0944002  -0.346937   0.0307685   40  VAL   A O    
413  C CB   . VAL   A 28  ? 0.985534 0.682619 0.651398 -0.073224   -0.335194   0.0212671   40  VAL   A CB   
414  C CG1  . VAL   A 28  ? 0.983256 0.690748 0.660355 -0.0601694  -0.330076   0.0424938   40  VAL   A CG1  
415  C CG2  . VAL   A 28  ? 0.986721 0.638429 0.560669 -0.0665177  -0.316597   0.0119489   40  VAL   A CG2  
416  H H    . VAL   A 28  ? 0.920121 0.630464 0.646603 -0.102185   -0.351066   -0.00643951 40  VAL   A H    
417  H HA   . VAL   A 28  ? 0.861443 0.593373 0.591818 -0.0816707  -0.2793     0.0178579   40  VAL   A HA   
418  H HB   . VAL   A 28  ? 0.997054 0.691847 0.666296 -0.0776045  -0.369327   0.0166544   40  VAL   A HB   
419  H HG11 . VAL   A 28  ? 0.944374 0.662331 0.63949  -0.0588459  -0.299223   0.046643    40  VAL   A HG11 
420  H HG12 . VAL   A 28  ? 0.972553 0.702908 0.696146 -0.061296   -0.350899   0.0479338   40  VAL   A HG12 
421  H HG13 . VAL   A 28  ? 1.03096  0.710585 0.650476 -0.0514323  -0.337064   0.0467695   40  VAL   A HG13 
422  H HG21 . VAL   A 28  ? 1.05229  0.680324 0.575839 -0.0581443  -0.332579   0.0154905   40  VAL   A HG21 
423  H HG22 . VAL   A 28  ? 1.00646  0.6485   0.572322 -0.0733358  -0.321151   -0.00223059 40  VAL   A HG22 
424  H HG23 . VAL   A 28  ? 0.972806 0.628639 0.546933 -0.0631037  -0.283955   0.0169875   40  VAL   A HG23 
425  N N    . GLY   A 29  ? 0.781973 0.578363 0.631226 -0.0767123  -0.285089   0.0415402   41  GLY   A N    
426  C CA   . GLY   A 29  ? 0.771864 0.608748 0.69672  -0.0724225  -0.284062   0.053519    41  GLY   A CA   
427  C C    . GLY   A 29  ? 0.834363 0.667639 0.755563 -0.0589146  -0.308904   0.068556    41  GLY   A C    
428  O O    . GLY   A 29  ? 0.90668  0.706175 0.764545 -0.0539234  -0.330483   0.0704234   41  GLY   A O    
429  H H    . GLY   A 29  ? 0.798869 0.578744 0.613382 -0.0725267  -0.263899   0.041102    41  GLY   A H    
430  H HA2  . GLY   A 29  ? 0.75447  0.614421 0.724143 -0.0805568  -0.294509   0.0511612   41  GLY   A HA2  
431  H HA3  . GLY   A 29  ? 0.738892 0.583788 0.676167 -0.0694809  -0.255463   0.0545571   41  GLY   A HA3  
432  N N    . ASN   A 30  ? 0.80741  0.674536 0.794693 -0.0507219  -0.303698   0.0797189   42  ASN   A N    
433  C CA   . ASN   A 30  ? 0.911    0.781869 0.912032 -0.0359445  -0.327954   0.0956059   42  ASN   A CA   
434  C C    . ASN   A 30  ? 0.923868 0.779888 0.912778 -0.021237   -0.298332   0.10551     42  ASN   A C    
435  O O    . ASN   A 30  ? 0.848968 0.712815 0.855945 -0.0226922  -0.262024   0.0997956   42  ASN   A O    
436  C CB   . ASN   A 30  ? 0.910838 0.832653 1.00333  -0.0359181  -0.347174   0.101388    42  ASN   A CB   
437  C CG   . ASN   A 30  ? 0.965825 0.906945 1.08755  -0.0558336  -0.364651   0.0904016   42  ASN   A CG   
438  O OD1  . ASN   A 30  ? 1.00224  0.960237 1.15227  -0.06651    -0.337871   0.0826666   42  ASN   A OD1  
439  N ND2  . ASN   A 30  ? 1.09272  1.02882  1.20642  -0.061488   -0.411015   0.089531    42  ASN   A ND2  
440  H H    . ASN   A 30  ? 0.783749 0.671917 0.808146 -0.0531205  -0.283538   0.0773356   42  ASN   A H    
441  H HA   . ASN   A 30  ? 0.946805 0.795054 0.904436 -0.0350324  -0.352134   0.096665    42  ASN   A HA   
442  H HB2  . ASN   A 30  ? 0.884173 0.826089 1.01553  -0.0308968  -0.323168   0.103782    42  ASN   A HB2  
443  H HB3  . ASN   A 30  ? 0.948085 0.870614 1.04469  -0.0270618  -0.372035   0.110928    42  ASN   A HB3  
444  H HD21 . ASN   A 30  ? 1.06173  1.01247  1.20454  -0.0735962  -0.424447   0.084417    42  ASN   A HD21 
445  H HD22 . ASN   A 30  ? 1.10126  1.01839  1.17993  -0.053335   -0.42951    0.0940789   42  ASN   A HD22 
446  N N    . GLY   A 31  ? 0.975143 0.807135 0.932011 -0.00718453 -0.31633    0.120516    43  GLY   A N    
447  C CA   . GLY   A 31  ? 1.02646  0.837181 0.971119 0.00641058  -0.292878   0.132559    43  GLY   A CA   
448  C C    . GLY   A 31  ? 1.01466  0.788568 0.895532 -0.00017178 -0.260899   0.128048    43  GLY   A C    
449  O O    . GLY   A 31  ? 1.02573  0.794034 0.874767 -0.0128759  -0.255514   0.114867    43  GLY   A O    
450  H H    . GLY   A 31  ? 1.01715  0.844142 0.958669 -0.00612588 -0.345311   0.123636    43  GLY   A H    
451  H HA2  . GLY   A 31  ? 1.04925  0.847615 0.980148 0.0170432   -0.312609   0.145312    43  GLY   A HA2  
452  H HA3  . GLY   A 31  ? 0.97688  0.809602 0.971258 0.0101414   -0.278441   0.131787    43  GLY   A HA3  
453  N N    . GLU   A 32  ? 1.04381  0.792851 0.910301 0.00845325  -0.239616   0.139484    44  GLU   A N    
454  C CA   . GLU   A 32  ? 1.03642  0.756018 0.854346 0.00092846  -0.207759   0.137355    44  GLU   A CA   
455  C C    . GLU   A 32  ? 0.910139 0.645553 0.771477 -0.00509167 -0.173447   0.125471    44  GLU   A C    
456  O O    . GLU   A 32  ? 0.900312 0.622356 0.735841 -0.0141882  -0.147886   0.119996    44  GLU   A O    
457  C CB   . GLU   A 32  ? 1.15411  0.828684 0.910634 0.00959656  -0.207399   0.158406    44  GLU   A CB   
458  C CG   . GLU   A 32  ? 1.28005  0.943658 1.04877  0.0273991   -0.229024   0.179442    44  GLU   A CG   
459  C CD   . GLU   A 32  ? 1.45867  1.07344  1.16795  0.0347314   -0.218675   0.202948    44  GLU   A CD   
460  O OE1  . GLU   A 32  ? 1.35241  0.949653 1.06645  0.0502748   -0.231364   0.223389    44  GLU   A OE1  
461  O OE2  . GLU   A 32  ? 1.53709  1.13053  1.19561  0.0254468   -0.195285   0.202647    44  GLU   A OE2  
462  H H    . GLU   A 32  ? 1.04383  0.794558 0.933976 0.0189448   -0.244903   0.149062    44  GLU   A H    
463  H HA   . GLU   A 32  ? 1.03749  0.756156 0.828405 -0.00724196 -0.209541   0.128446    44  GLU   A HA   
464  H HB2  . GLU   A 32  ? 1.15474  0.816838 0.904745 0.00556646  -0.181356   0.159313    44  GLU   A HB2  
465  H HB3  . GLU   A 32  ? 1.19198  0.853447 0.901583 0.0078519   -0.217401   0.158412    44  GLU   A HB3  
466  H HG2  . GLU   A 32  ? 1.29861  0.971712 1.06609  0.0317684   -0.25766    0.18073     44  GLU   A HG2  
467  H HG3  . GLU   A 32  ? 1.2529   0.93158  1.0714   0.0309291   -0.221921   0.177492    44  GLU   A HG3  
468  N N    . GLU   A 33  ? 0.832837 0.598916 0.75896  0.00043965  -0.173617   0.120373    45  GLU   A N    
469  C CA   . GLU   A 33  ? 0.894889 0.672175 0.857578 -0.00086813 -0.145112   0.109034    45  GLU   A CA   
470  C C    . GLU   A 33  ? 0.860923 0.661227 0.829302 -0.0147768  -0.13003    0.0902704   45  GLU   A C    
471  O O    . GLU   A 33  ? 0.799979 0.62612  0.784047 -0.0195481  -0.143065   0.0844959   45  GLU   A O    
472  C CB   . GLU   A 33  ? 0.951081 0.752867 0.9756   0.0136406   -0.148951   0.109614    45  GLU   A CB   
473  C CG   . GLU   A 33  ? 1.19075  0.964017 1.21743  0.0296259   -0.151763   0.124874    45  GLU   A CG   
474  C CD   . GLU   A 33  ? 1.27082  1.06363  1.3565   0.0451793   -0.143797   0.119682    45  GLU   A CD   
475  O OE1  . GLU   A 33  ? 1.29757  1.13299  1.42449  0.0462171   -0.145752   0.111427    45  GLU   A OE1  
476  O OE2  . GLU   A 33  ? 1.25264  1.0169   1.34204  0.0557212   -0.133487   0.123322    45  GLU   A OE2  
477  H H    . GLU   A 33  ? 0.870972 0.652173 0.819005 0.00610278  -0.193148   0.124       45  GLU   A H    
478  H HA   . GLU   A 33  ? 0.902388 0.655065 0.846002 -0.00118774 -0.131628   0.113105    45  GLU   A HA   
479  H HB2  . GLU   A 33  ? 0.969544 0.793357 1.01342  0.0154461   -0.166504   0.111431    45  GLU   A HB2  
480  H HB3  . GLU   A 33  ? 0.945768 0.760872 0.991712 0.0115767   -0.13164    0.0980098   45  GLU   A HB3  
481  H HG2  . GLU   A 33  ? 1.17038  0.916524 1.17096  0.025215    -0.138036   0.126223    45  GLU   A HG2  
482  H HG3  . GLU   A 33  ? 1.18742  0.95472  1.20231  0.0352806   -0.17259    0.137477    45  GLU   A HG3  
483  N N    . THR   A 34  ? 0.739221 0.528471 0.696656 -0.0215423  -0.103453   0.0819519   46  THR   A N    
484  C CA   . THR   A 34  ? 0.656019 0.465452 0.621014 -0.0317575  -0.0868241  0.0649741   46  THR   A CA   
485  C C    . THR   A 34  ? 0.619182 0.437811 0.620326 -0.0266583  -0.0688924  0.0552127   46  THR   A C    
486  O O    . THR   A 34  ? 0.665644 0.464822 0.674432 -0.0186921  -0.0660799  0.0605718   46  THR   A O    
487  C CB   . THR   A 34  ? 0.656806 0.446776 0.576699 -0.0426977  -0.073337   0.062968    46  THR   A CB   
488  O OG1  . THR   A 34  ? 0.633893 0.399042 0.549136 -0.0411536  -0.0603948  0.0701913   46  THR   A OG1  
489  C CG2  . THR   A 34  ? 0.699278 0.470512 0.570511 -0.0442009  -0.0885405  0.072074    46  THR   A CG2  
490  H H    . THR   A 34  ? 0.770753 0.538806 0.71674  -0.0196978  -0.0963532  0.0878665   46  THR   A H    
491  H HA   . THR   A 34  ? 0.646518 0.475252 0.6232   -0.0334725  -0.0959994  0.0616459   46  THR   A HA   
492  H HB   . THR   A 34  ? 0.624801 0.428138 0.550622 -0.0483862  -0.0626995  0.0520725   46  THR   A HB   
494  H HG21 . THR   A 34  ? 0.70365  0.465136 0.548536 -0.0496395  -0.0762865  0.0700307   46  THR   A HG21 
495  H HG22 . THR   A 34  ? 0.727305 0.482217 0.587581 -0.0381329  -0.0970738  0.0840294   46  THR   A HG22 
496  H HG23 . THR   A 34  ? 0.691447 0.475803 0.567967 -0.0451449  -0.102234   0.0680988   46  THR   A HG23 
497  N N    . PRO   A 35  ? 0.522349 0.366837 0.543567 -0.0296191  -0.0568737  0.0405228   47  PRO   A N    
498  C CA   . PRO   A 35  ? 0.542774 0.395645 0.593758 -0.0208465  -0.0431297  0.0299719   47  PRO   A CA   
499  C C    . PRO   A 35  ? 0.500367 0.328886 0.538222 -0.0254264  -0.028427   0.0215873   47  PRO   A C    
500  O O    . PRO   A 35  ? 0.546367 0.365892 0.559548 -0.0380594  -0.0222177  0.0202058   47  PRO   A O    
501  C CB   . PRO   A 35  ? 0.475101 0.362098 0.543368 -0.0223134  -0.0358717  0.0197554   47  PRO   A CB   
502  C CG   . PRO   A 35  ? 0.48926  0.379102 0.533381 -0.0356773  -0.0425338  0.0220409   47  PRO   A CG   
503  C CD   . PRO   A 35  ? 0.529556 0.394906 0.54604  -0.0385877  -0.0580892  0.0344199   47  PRO   A CD   
504  H HA   . PRO   A 35  ? 0.530583 0.383854 0.600509 -0.0103897  -0.0490523  0.0353834   47  PRO   A HA   
505  H HB2  . PRO   A 35  ? 0.478752 0.366741 0.546802 -0.021978   -0.0234907  0.00924368  47  PRO   A HB2  
506  H HB3  . PRO   A 35  ? 0.483281 0.387477 0.577368 -0.014403   -0.0395021  0.0229059   47  PRO   A HB3  
507  H HG2  . PRO   A 35  ? 0.478151 0.365179 0.50762  -0.0415737  -0.0324782  0.0146087   47  PRO   A HG2  
508  H HG3  . PRO   A 35  ? 0.47462  0.384224 0.53486  -0.0358669  -0.0467414  0.022934    47  PRO   A HG3  
509  H HD2  . PRO   A 35  ? 0.5252   0.379003 0.51412  -0.0461017  -0.0542375  0.0328834   47  PRO   A HD2  
510  H HD3  . PRO   A 35  ? 0.525134 0.398743 0.548479 -0.0378389  -0.0725707  0.0401816   47  PRO   A HD3  
511  N N    . MET   A 36  ? 0.529567 0.350534 0.588087 -0.0147329  -0.0225762  0.0142669   48  MET   A N    
512  C CA   . MET   A 36  ? 0.524278 0.319884 0.578393 -0.0191202  -0.0124853  0.00404579  48  MET   A CA   
513  C C    . MET   A 36  ? 0.527572 0.342746 0.587103 -0.0194529  -0.00192204 -0.0172035  48  MET   A C    
514  O O    . MET   A 36  ? 0.521062 0.363592 0.592502 -0.00996163 0.00034645  -0.0220398  48  MET   A O    
515  C CB   . MET   A 36  ? 0.612987 0.381504 0.683586 -0.0052695  -0.0145527  0.00560064  48  MET   A CB   
516  C CG   . MET   A 36  ? 0.650894 0.395679 0.715251 -0.00160693 -0.0260295  0.0283932   48  MET   A CG   
517  S SD   . MET   A 36  ? 0.663887 0.377252 0.694754 -0.0214192  -0.0223255  0.0425138   48  MET   A SD   
518  C CE   . MET   A 36  ? 0.746996 0.434351 0.766932 -0.00945497 -0.0380381  0.0706184   48  MET   A CE   
519  H H    . MET   A 36  ? 0.519647 0.351181 0.597429 -0.00392833 -0.0253915  0.0151495   48  MET   A H    
520  H HA   . MET   A 36  ? 0.549411 0.332372 0.586661 -0.0301285  -0.0113713  0.00963199  48  MET   A HA   
521  H HB2  . MET   A 36  ? 0.594364 0.377459 0.681731 0.00715296  -0.0137128  -0.00021496 48  MET   A HB2  
522  H HB3  . MET   A 36  ? 0.611467 0.362267 0.680901 -0.00965624 -0.0088484  -0.00344638 48  MET   A HB3  
523  H HG2  . MET   A 36  ? 0.63854  0.400986 0.704135 0.00209283  -0.0345804  0.0364879   48  MET   A HG2  
524  H HG3  . MET   A 36  ? 0.667729 0.396013 0.745279 0.00925855  -0.0270389  0.0287289   48  MET   A HG3  
525  H HE1  . MET   A 36  ? 0.758799 0.424951 0.758018 -0.0173275  -0.034925   0.082101    48  MET   A HE1  
526  H HE2  . MET   A 36  ? 0.727065 0.43342  0.743538 -0.00541118 -0.0481506  0.075165    48  MET   A HE2  
527  H HE3  . MET   A 36  ? 0.751758 0.426637 0.789669 0.00160296  -0.0400227  0.0702828   48  MET   A HE3  
528  N N    . ILE   A 37  ? 0.508055 0.30866  0.561132 -0.0293135  0.00412002  -0.0290737  49  ILE   A N    
529  C CA   . ILE   A 37  ? 0.501468 0.315455 0.556633 -0.0266473  0.0102881   -0.0507522  49  ILE   A CA   
530  C C    . ILE   A 37  ? 0.497729 0.309883 0.565715 -0.00596257 0.0125998   -0.061601   49  ILE   A C    
531  O O    . ILE   A 37  ? 0.531525 0.316033 0.608987 0.00227962  0.00994998  -0.0604897  49  ILE   A O    
532  C CB   . ILE   A 37  ? 0.576743 0.373484 0.629375 -0.0407802  0.0115491   -0.0621764  49  ILE   A CB   
533  C CG1  . ILE   A 37  ? 0.601314 0.406424 0.644027 -0.058711   0.0139209   -0.0508794  49  ILE   A CG1  
534  C CG2  . ILE   A 37  ? 0.53875  0.344738 0.590074 -0.0349906  0.0129359   -0.0871341  49  ILE   A CG2  
535  C CD1  . ILE   A 37  ? 0.663041 0.460312 0.713425 -0.0741047  0.0160302   -0.0596172  49  ILE   A CD1  
536  H H    . ILE   A 37  ? 0.530252 0.312657 0.577971 -0.037578   0.00384025  -0.0231044  49  ILE   A H    
537  H HA   . ILE   A 37  ? 0.485629 0.322381 0.535468 -0.0283818  0.0121644   -0.0507303  49  ILE   A HA   
538  H HB   . ILE   A 37  ? 0.586767 0.358112 0.645694 -0.0410861  0.00959841  -0.0600105  49  ILE   A HB   
539  H HG12 . ILE   A 37  ? 0.581766 0.409135 0.61761  -0.0575761  0.0152165   -0.0515458  49  ILE   A HG12 
540  H HG13 . ILE   A 37  ? 0.610567 0.404898 0.648919 -0.0605793  0.0129111   -0.0358305  49  ILE   A HG13 
541  H HG21 . ILE   A 37  ? 0.55727  0.355688 0.610088 -0.0454183  0.0110172   -0.0945634  49  ILE   A HG21 
542  H HG22 . ILE   A 37  ? 0.529215 0.359221 0.573885 -0.032086   0.0156182   -0.0879304  49  ILE   A HG22 
543  H HG23 . ILE   A 37  ? 0.566877 0.361612 0.621903 -0.0231057  0.0127902   -0.0946936  49  ILE   A HG23 
544  H HD11 . ILE   A 37  ? 0.669591 0.443574 0.729519 -0.0754598  0.0141043   -0.0618567  49  ILE   A HD11 
545  H HD12 . ILE   A 37  ? 0.641898 0.442279 0.688003 -0.0833938  0.0198925   -0.0487799  49  ILE   A HD12 
546  H HD13 . ILE   A 37  ? 0.634496 0.446717 0.685482 -0.0731276  0.015235    -0.073518   49  ILE   A HD13 
547  N N    . GLY   A 38  ? 0.464699 0.30373  0.530579 0.00356081  0.0195597   -0.0728476  50  GLY   A N    
548  C CA   . GLY   A 38  ? 0.483764 0.327714 0.558855 0.0261391   0.0267381   -0.081688   50  GLY   A CA   
549  C C    . GLY   A 38  ? 0.5163   0.391157 0.612387 0.0372782   0.0301292   -0.0648059  50  GLY   A C    
550  O O    . GLY   A 38  ? 0.511731 0.400946 0.618667 0.0572255   0.041121    -0.0700728  50  GLY   A O    
551  H H    . GLY   A 38  ? 0.452862 0.307395 0.51022  -0.0034341  0.021122    -0.0741923  50  GLY   A H    
552  H HA2  . GLY   A 38  ? 0.49413  0.345073 0.557846 0.0296481   0.0319109   -0.0953311  50  GLY   A HA2  
553  H HA3  . GLY   A 38  ? 0.518035 0.33717  0.597742 0.0320507   0.0246308   -0.0860238  50  GLY   A HA3  
554  N N    . ASP   A 39  ? 0.46854  0.349365 0.572749 0.0266648   0.0199997   -0.044852   51  ASP   A N    
555  C CA   . ASP   A 39  ? 0.485425 0.392992 0.617124 0.0349683   0.0170454   -0.028362   51  ASP   A CA   
556  C C    . ASP   A 39  ? 0.498952 0.443918 0.63542  0.0342173   0.0272687   -0.0285147  51  ASP   A C    
557  O O    . ASP   A 39  ? 0.428171 0.37584  0.54149  0.0218534   0.0301103   -0.034714   51  ASP   A O    
558  C CB   . ASP   A 39  ? 0.452398 0.35662  0.584089 0.0223274   -0.00021426 -0.00953229 51  ASP   A CB   
559  C CG   . ASP   A 39  ? 0.510875 0.38524  0.645557 0.0276038   -0.0119277  0.00072379  51  ASP   A CG   
560  O OD1  . ASP   A 39  ? 0.464725 0.31923  0.606799 0.0411484   -0.00652835 -0.00670864 51  ASP   A OD1  
561  O OD2  . ASP   A 39  ? 0.502883 0.369068 0.626809 0.0182427   -0.0269953  0.0160962   51  ASP   A OD2  
562  H H    . ASP   A 39  ? 0.480017 0.348382 0.572656 0.0140554   0.0142445   -0.0415537  51  ASP   A H    
563  H HA   . ASP   A 39  ? 0.496566 0.401588 0.644255 0.0499939   0.0198941   -0.0291369  51  ASP   A HA   
564  H HB2  . ASP   A 39  ? 0.457434 0.355798 0.568455 0.0088417   -0.00168855 -0.0109214  51  ASP   A HB2  
565  H HB3  . ASP   A 39  ? 0.453703 0.381665 0.602792 0.0238022   -0.00323894 -0.00123361 51  ASP   A HB3  
566  N N    . LYS   A 40  ? 0.532538 0.506687 0.702415 0.0482778   0.0336791   -0.0199289  52  LYS   A N    
567  C CA   . LYS   A 40  ? 0.468475 0.478871 0.650317 0.0474588   0.0452723   -0.0147517  52  LYS   A CA   
568  C C    . LYS   A 40  ? 0.419554 0.441613 0.613668 0.0290453   0.0283107   0.00150688  52  LYS   A C    
569  O O    . LYS   A 40  ? 0.48585  0.509668 0.703681 0.0292261   0.0125076   0.0135002   52  LYS   A O    
570  C CB   . LYS   A 40  ? 0.51349  0.551707 0.730621 0.0703958   0.0623564   -0.0108896  52  LYS   A CB   
571  C CG   . LYS   A 40  ? 0.535595 0.607593 0.759337 0.0729653   0.0825143   -0.0065366  52  LYS   A CG   
572  C CD   . LYS   A 40  ? 0.649203 0.755036 0.917249 0.0948258   0.101143    0.0030738   52  LYS   A CD   
573  C CE   . LYS   A 40  ? 0.726686 0.859653 0.991443 0.101963    0.128051    0.00622049  52  LYS   A CE   
574  N NZ   . LYS   A 40  ? 0.732541 0.908153 1.05277  0.117362    0.146605    0.0232482   52  LYS   A NZ   
575  H H    . LYS   A 40  ? 0.524452 0.496168 0.712344 0.0587598   0.031381    -0.0159733  52  LYS   A H    
576  H HA   . LYS   A 40  ? 0.473702 0.480194 0.631139 0.0439505   0.0523003   -0.0242064  52  LYS   A HA   
577  H HB2  . LYS   A 40  ? 0.532067 0.554338 0.739074 0.083777    0.0690702   -0.0223648  52  LYS   A HB2  
578  H HB3  . LYS   A 40  ? 0.509826 0.559256 0.757357 0.0720629   0.0540583   0.00103468  52  LYS   A HB3  
579  H HG2  . LYS   A 40  ? 0.530677 0.613028 0.760581 0.057754    0.0751085   0.00301815  52  LYS   A HG2  
580  H HG3  . LYS   A 40  ? 0.556562 0.617612 0.748989 0.0756994   0.0912336   -0.0189074  52  LYS   A HG3  
581  H HD2  . LYS   A 40  ? 0.659019 0.751197 0.923486 0.11076     0.105393    -0.00603912 52  LYS   A HD2  
582  H HD3  . LYS   A 40  ? 0.628771 0.752011 0.932865 0.089746    0.0914285   0.0171593   52  LYS   A HD3  
583  H HE2  . LYS   A 40  ? 0.689385 0.826487 0.946959 0.0858317   0.123614    0.0117925   52  LYS   A HE2  
584  H HE3  . LYS   A 40  ? 0.726651 0.844115 0.957902 0.113016    0.138488    -0.0083948  52  LYS   A HE3  
585  H HZ1  . LYS   A 40  ? 0.715749 0.9065   1.07014  0.106627    0.134465    0.0362315   52  LYS   A HZ1  
586  H HZ2  . LYS   A 40  ? 0.749159 0.920982 1.07491  0.134887    0.152827    0.0174856   52  LYS   A HZ2  
587  H HZ3  . LYS   A 40  ? 0.735271 0.926501 1.05169  0.120625    0.164265    0.0272238   52  LYS   A HZ3  
588  N N    . VAL   A 41  ? 0.414006 0.440791 0.589261 0.0141478   0.0293871   0.00104235  53  VAL   A N    
589  C CA   . VAL   A 41  ? 0.41168  0.439879 0.588869 -0.00378202 0.0116244   0.0120307   53  VAL   A CA   
590  C C    . VAL   A 41  ? 0.417406 0.475708 0.617844 -0.00965664 0.0181861   0.0212962   53  VAL   A C    
591  O O    . VAL   A 41  ? 0.364809 0.431033 0.55365  -0.00632165 0.0363889   0.0166736   53  VAL   A O    
592  C CB   . VAL   A 41  ? 0.44772  0.446667 0.580052 -0.0169813  0.00569845  0.00360604  53  VAL   A CB   
593  C CG1  . VAL   A 41  ? 0.505015 0.500564 0.627843 -0.033317   -0.00922629 0.010802    53  VAL   A CG1  
594  C CG2  . VAL   A 41  ? 0.430792 0.399865 0.546875 -0.0142154  -0.00078454 -0.00056582 53  VAL   A CG2  
595  H H    . VAL   A 41  ? 0.412338 0.439826 0.571751 0.016021    0.0404923   -0.00669419 53  VAL   A H    
596  H HA   . VAL   A 41  ? 0.426523 0.453813 0.619369 -0.00279142 -0.00079018 0.0191879   53  VAL   A HA   
597  H HB   . VAL   A 41  ? 0.439817 0.440112 0.55855  -0.0158288  0.0171554   -0.00433155 53  VAL   A HB   
598  H HG11 . VAL   A 41  ? 0.489191 0.490695 0.630981 -0.0340333  -0.0210963  0.0192029   53  VAL   A HG11 
599  H HG12 . VAL   A 41  ? 0.475601 0.482045 0.599544 -0.0370697  -0.00297117 0.0107843   53  VAL   A HG12 
600  H HG13 . VAL   A 41  ? 0.489997 0.465521 0.586332 -0.0387665  -0.013409   0.00707395  53  VAL   A HG13 
601  H HG21 . VAL   A 41  ? 0.441286 0.395206 0.53283  -0.022874   -0.00236309 -0.00427951 53  VAL   A HG21 
602  H HG22 . VAL   A 41  ? 0.446383 0.413085 0.565797 -0.00431705 0.00813517  -0.00766261 53  VAL   A HG22 
603  H HG23 . VAL   A 41  ? 0.448566 0.415328 0.575786 -0.0133232  -0.012246   0.00811282  53  VAL   A HG23 
604  N N    . TYR   A 42  ? 0.411179 0.482816 0.642289 -0.0193032  0.00097832  0.0345808   54  TYR   A N    
605  C CA   . TYR   A 42  ? 0.412553 0.512711 0.678578 -0.0279098  0.00380155  0.0465424   54  TYR   A CA   
606  C C    . TYR   A 42  ? 0.363579 0.44566  0.611197 -0.0486064  -0.0174935  0.0472888   54  TYR   A C    
607  O O    . TYR   A 42  ? 0.393339 0.462454 0.638325 -0.0543418  -0.0421735  0.0486627   54  TYR   A O    
608  C CB   . TYR   A 42  ? 0.466716 0.601522 0.796978 -0.0223769  -0.00155735 0.0613531   54  TYR   A CB   
609  C CG   . TYR   A 42  ? 0.484163 0.638079 0.837028 0.00198428  0.0209442   0.0611772   54  TYR   A CG   
610  C CD1  . TYR   A 42  ? 0.519837 0.656049 0.863314 0.016507    0.0149789   0.054381    54  TYR   A CD1  
611  C CD2  . TYR   A 42  ? 0.475288 0.661326 0.855561 0.0119588   0.0495057   0.0681109   54  TYR   A CD2  
612  C CE1  . TYR   A 42  ? 0.559866 0.707384 0.920484 0.0408123   0.0351226   0.0516413   54  TYR   A CE1  
613  C CE2  . TYR   A 42  ? 0.556166 0.7571   0.951979 0.037357    0.0715941   0.0662451   54  TYR   A CE2  
614  C CZ   . TYR   A 42  ? 0.588123 0.768187 0.973145 0.0521219   0.0637606   0.0563245   54  TYR   A CZ   
615  O OH   . TYR   A 42  ? 0.626216 0.815268 1.02275  0.0788706   0.0855626   0.0519739   54  TYR   A OH   
616  H H    . TYR   A 42  ? 0.421433 0.482698 0.651986 -0.0211476  -0.0144696  0.0365691   54  TYR   A H    
617  H HA   . TYR   A 42  ? 0.404667 0.512665 0.665242 -0.0239341  0.0225054   0.0450058   54  TYR   A HA   
618  H HB2  . TYR   A 42  ? 0.462244 0.588757 0.795787 -0.0261986  -0.0226823  0.063131    54  TYR   A HB2  
619  H HB3  . TYR   A 42  ? 0.451454 0.604708 0.807411 -0.0308439  0.00018589  0.0700575   54  TYR   A HB3  
620  H HD1  . TYR   A 42  ? 0.525659 0.639355 0.84866  0.010413    -0.00229438 0.0516344   54  TYR   A HD1  
621  H HD2  . TYR   A 42  ? 0.487392 0.684351 0.875546 0.00212696  0.054648    0.0748776   54  TYR   A HD2  
622  H HE1  . TYR   A 42  ? 0.570267 0.701872 0.924394 0.0504643   0.0303716   0.0469612   54  TYR   A HE1  
623  H HE2  . TYR   A 42  ? 0.545658 0.767964 0.955998 0.0454265   0.0930403   0.0714366   54  TYR   A HE2  
625  N N    . VAL   A 43  ? 0.378716 0.458696 0.613141 -0.0581292  -0.0086888  0.0470566   55  VAL   A N    
626  C CA   . VAL   A 43  ? 0.37739  0.434882 0.590729 -0.0755608  -0.0276207  0.0453409   55  VAL   A CA   
627  C C    . VAL   A 43  ? 0.397936 0.469377 0.639411 -0.0872036  -0.02306    0.055611    55  VAL   A C    
628  O O    . VAL   A 43  ? 0.39236  0.487566 0.655972 -0.0808757  0.00050469  0.0637256   55  VAL   A O    
629  C CB   . VAL   A 43  ? 0.400419 0.425484 0.55412  -0.0759353  -0.0239945  0.0316196   55  VAL   A CB   
630  C CG1  . VAL   A 43  ? 0.376508 0.384378 0.503702 -0.0677688  -0.0274899  0.0235383   55  VAL   A CG1  
631  C CG2  . VAL   A 43  ? 0.38474  0.414428 0.523573 -0.0708054  -0.00014797 0.0285813   55  VAL   A CG2  
632  H H    . VAL   A 43  ? 0.367427 0.45827  0.603962 -0.0524633  0.00940389  0.0478841   55  VAL   A H    
633  H HA   . VAL   A 43  ? 0.396168 0.448999 0.616429 -0.0797331  -0.046935   0.046942    55  VAL   A HA   
634  H HB   . VAL   A 43  ? 0.399278 0.408913 0.540027 -0.0857294  -0.0369481  0.0305261   55  VAL   A HB   
635  H HG11 . VAL   A 43  ? 0.378902 0.397763 0.517083 -0.0578852  -0.0162157  0.0228178   55  VAL   A HG11 
636  H HG12 . VAL   A 43  ? 0.395042 0.397502 0.526703 -0.070398   -0.0436798  0.0267328   55  VAL   A HG12 
637  H HG13 . VAL   A 43  ? 0.386479 0.377073 0.481725 -0.0694848  -0.0247694  0.016425    55  VAL   A HG13 
638  H HG21 . VAL   A 43  ? 0.386916 0.39994  0.493788 -0.0698154  0.00108892  0.0199217   55  VAL   A HG21 
639  H HG22 . VAL   A 43  ? 0.388169 0.420828 0.536013 -0.077655   0.0006376   0.034272    55  VAL   A HG22 
640  H HG23 . VAL   A 43  ? 0.381356 0.42707  0.533255 -0.0610085  0.012808    0.0299043   55  VAL   A HG23 
641  N N    . HIS   A 44  ? 0.405216 0.458215 0.642988 -0.103888   -0.0461865  0.0553073   56  HIS   A N    
642  C CA   . HIS   A 44  ? 0.443248 0.488263 0.683895 -0.116762   -0.0436976  0.0595175   56  HIS   A CA   
643  C C    . HIS   A 44  ? 0.413739 0.418304 0.592531 -0.118508   -0.0482563  0.0451594   56  HIS   A C    
644  O O    . HIS   A 44  ? 0.43144  0.413993 0.576512 -0.117292   -0.0640733  0.0347051   56  HIS   A O    
645  C CB   . HIS   A 44  ? 0.476982 0.52933  0.766095 -0.135228   -0.0682231  0.0687902   56  HIS   A CB   
646  C CG   . HIS   A 44  ? 0.498038 0.594908 0.857477 -0.136201   -0.0540483  0.0877919   56  HIS   A CG   
647  N ND1  . HIS   A 44  ? 0.502164 0.614627 0.87192  -0.131734   -0.0216509  0.0988917   56  HIS   A ND1  
648  C CD2  . HIS   A 44  ? 0.494069 0.625189 0.917216 -0.13935    -0.0654657  0.0991743   56  HIS   A CD2  
649  C CE1  . HIS   A 44  ? 0.491307 0.646167 0.928358 -0.132241   -0.0108337  0.117063    56  HIS   A CE1  
650  N NE2  . HIS   A 44  ? 0.451772 0.620697 0.924344 -0.135875   -0.0363345  0.116933    56  HIS   A NE2  
651  H H    . HIS   A 44  ? 0.423417 0.465873 0.654692 -0.106752   -0.065039   0.0520674   56  HIS   A H    
652  H HA   . HIS   A 44  ? 0.423938 0.484365 0.67515  -0.11148    -0.0224788  0.0658574   56  HIS   A HA   
653  H HB2  . HIS   A 44  ? 0.487992 0.53446  0.774545 -0.136629   -0.0890854  0.0643568   56  HIS   A HB2  
654  H HB3  . HIS   A 44  ? 0.492218 0.524076 0.768046 -0.145101   -0.0737352  0.0664931   56  HIS   A HB3  
656  H HD2  . HIS   A 44  ? 0.493482 0.624326 0.924531 -0.141127   -0.0876802  0.0961639   56  HIS   A HD2  
657  H HE1  . HIS   A 44  ? 0.480866 0.65374  0.935714 -0.128643   0.0124411   0.128655    56  HIS   A HE1  
659  N N    . TYR   A 45  ? 0.430442 0.425915 0.595984 -0.120219   -0.0335818  0.0466632   57  TYR   A N    
660  C CA   . TYR   A 45  ? 0.438346 0.399335 0.550659 -0.11898    -0.0343428  0.0342435   57  TYR   A CA   
661  C C    . TYR   A 45  ? 0.476647 0.423403 0.591244 -0.126745   -0.0294989  0.0402199   57  TYR   A C    
662  O O    . TYR   A 45  ? 0.42806  0.394929 0.576705 -0.128754   -0.0150936  0.0553349   57  TYR   A O    
663  C CB   . TYR   A 45  ? 0.438983 0.403028 0.518114 -0.103088   -0.0156122  0.0260682   57  TYR   A CB   
664  C CG   . TYR   A 45  ? 0.396093 0.378282 0.480274 -0.0940107  0.00891769  0.0328058   57  TYR   A CG   
665  C CD1  . TYR   A 45  ? 0.389322 0.356765 0.450343 -0.0923053  0.0167806   0.0325886   57  TYR   A CD1  
666  C CD2  . TYR   A 45  ? 0.401746 0.414917 0.513713 -0.0857144  0.0238653   0.0408202   57  TYR   A CD2  
667  C CE1  . TYR   A 45  ? 0.394798 0.376918 0.455881 -0.0829543  0.0369606   0.0407624   57  TYR   A CE1  
668  C CE2  . TYR   A 45  ? 0.391934 0.419294 0.500888 -0.0756388  0.0463334   0.0475668   57  TYR   A CE2  
669  C CZ   . TYR   A 45  ? 0.425189 0.436966 0.50734  -0.0745566  0.0519523   0.0481291   57  TYR   A CZ   
670  O OH   . TYR   A 45  ? 0.375198 0.398721 0.448175 -0.0631294  0.072071    0.0559881   57  TYR   A OH   
671  H H    . TYR   A 45  ? 0.42276  0.434457 0.613877 -0.121185   -0.0219751  0.0567457   57  TYR   A H    
672  H HA   . TYR   A 45  ? 0.460151 0.402774 0.556217 -0.123348   -0.0517824  0.027093    57  TYR   A HA   
673  H HB2  . TYR   A 45  ? 0.435535 0.378686 0.483124 -0.102514   -0.019079   0.0175851   57  TYR   A HB2  
674  H HB3  . TYR   A 45  ? 0.419892 0.393451 0.504051 -0.098659   -0.017157   0.0243935   57  TYR   A HB3  
675  H HD1  . TYR   A 45  ? 0.406129 0.351974 0.448712 -0.0961931  0.00817887  0.0269305   57  TYR   A HD1  
676  H HD2  . TYR   A 45  ? 0.391077 0.414893 0.521705 -0.085322   0.0189433   0.0416364   57  TYR   A HD2  
677  H HE1  . TYR   A 45  ? 0.409612 0.380757 0.453828 -0.0806144  0.0408874   0.0412651   57  TYR   A HE1  
678  H HE2  . TYR   A 45  ? 0.395695 0.442386 0.518849 -0.0681255  0.0576473   0.0518849   57  TYR   A HE2  
680  N N    . LYS   A 46  ? 0.48162  0.391648 0.555484 -0.128456   -0.038599   0.028673    58  LYS   A N    
681  C CA   . LYS   A 46  ? 0.512715 0.401368 0.573074 -0.129193   -0.0306698  0.0307814   58  LYS   A CA   
682  C C    . LYS   A 46  ? 0.531398 0.4047   0.542015 -0.114643   -0.021145   0.0180456   58  LYS   A C    
683  O O    . LYS   A 46  ? 0.555749 0.418817 0.538161 -0.110754   -0.0285809  0.00556695  58  LYS   A O    
684  C CB   . LYS   A 46  ? 0.588397 0.442545 0.652273 -0.145057   -0.0528231  0.0281568   58  LYS   A CB   
685  C CG   . LYS   A 46  ? 0.638032 0.506742 0.747943 -0.160856   -0.0736047  0.0341015   58  LYS   A CG   
686  C CD   . LYS   A 46  ? 0.719772 0.569234 0.863399 -0.181872   -0.0928262  0.0395969   58  LYS   A CD   
687  C CE   . LYS   A 46  ? 0.72134  0.52169  0.826115 -0.188306   -0.121134   0.020335    58  LYS   A CE   
688  N NZ   . LYS   A 46  ? 0.695012 0.481461 0.842211 -0.211273   -0.1452     0.0246228   58  LYS   A NZ   
689  H H    . LYS   A 46  ? 0.496254 0.39292  0.548662 -0.127908   -0.0497601  0.0194049   58  LYS   A H    
690  H HA   . LYS   A 46  ? 0.510589 0.416899 0.591628 -0.127569   -0.0162851  0.0424647   58  LYS   A HA   
691  H HB2  . LYS   A 46  ? 0.604797 0.433711 0.63381  -0.142305   -0.0618017  0.0152738   58  LYS   A HB2  
692  H HB3  . LYS   A 46  ? 0.598024 0.444352 0.669246 -0.147395   -0.0453657  0.0354343   58  LYS   A HB3  
693  H HG2  . LYS   A 46  ? 0.613098 0.513916 0.752506 -0.158301   -0.0617818  0.0446732   58  LYS   A HG2  
694  H HG3  . LYS   A 46  ? 0.64097  0.503264 0.733221 -0.159568   -0.0875829  0.0242777   58  LYS   A HG3  
695  H HD2  . LYS   A 46  ? 0.700553 0.547212 0.852704 -0.182607   -0.0785965  0.0487857   58  LYS   A HD2  
696  H HD3  . LYS   A 46  ? 0.690987 0.564052 0.87691  -0.190472   -0.100239   0.0479707   58  LYS   A HD3  
697  H HE2  . LYS   A 46  ? 0.716127 0.516344 0.801691 -0.184467   -0.132725   0.0112054   58  LYS   A HE2  
698  H HE3  . LYS   A 46  ? 0.726175 0.502296 0.795904 -0.180631   -0.112595   0.0138461   58  LYS   A HE3  
699  H HZ1  . LYS   A 46  ? 0.706076 0.513953 0.884232 -0.21816    -0.157144   0.028533    58  LYS   A HZ1  
700  H HZ2  . LYS   A 46  ? 0.71018  0.501396 0.882271 -0.215755   -0.132516   0.036694    58  LYS   A HZ2  
701  H HZ3  . LYS   A 46  ? 0.744576 0.495504 0.863415 -0.214297   -0.161564   0.0115296   58  LYS   A HZ3  
702  N N    . GLY   A 47  ? 0.4762   0.351068 0.478681 -0.10577    -0.00362294 0.023301    59  GLY   A N    
703  C CA   . GLY   A 47  ? 0.52151  0.38933  0.486875 -0.091561   0.00503528  0.0127995   59  GLY   A CA   
704  C C    . GLY   A 47  ? 0.487677 0.33497  0.440982 -0.0864723  0.0115762   0.0171417   59  GLY   A C    
705  O O    . GLY   A 47  ? 0.475698 0.323445 0.450698 -0.0915095  0.0162646   0.0320774   59  GLY   A O    
706  H H    . GLY   A 47  ? 0.500536 0.381942 0.521936 -0.108288   0.00288518  0.0344397   59  GLY   A H    
707  H HA2  . GLY   A 47  ? 0.503645 0.357765 0.45061  -0.0918951  -0.00312369 0.00265741  59  GLY   A HA2  
708  H HA3  . GLY   A 47  ? 0.47728  0.367136 0.444449 -0.0842353  0.0147107   0.0134432   59  GLY   A HA3  
709  N N    . LYS   A 48  ? 0.452121 0.283484 0.373418 -0.0753763  0.0137168   0.00591497  60  LYS   A N    
710  C CA   . LYS   A 48  ? 0.467749 0.278546 0.374772 -0.0661189  0.019561    0.00839977  60  LYS   A CA   
711  C C    . LYS   A 48  ? 0.499573 0.316227 0.382412 -0.0493182  0.0274342   -0.00207049 60  LYS   A C    
712  O O    . LYS   A 48  ? 0.535381 0.359979 0.4084   -0.0484143  0.0263214   -0.0129955  60  LYS   A O    
713  C CB   . LYS   A 48  ? 0.55721  0.323241 0.457835 -0.0753186  0.00639816  0.00534722  60  LYS   A CB   
714  C CG   . LYS   A 48  ? 0.618153 0.357145 0.488606 -0.0751282  -0.00525025 -0.01336    60  LYS   A CG   
715  C CD   . LYS   A 48  ? 0.699354 0.38649  0.55534  -0.0802585  -0.0184837  -0.0196835  60  LYS   A CD   
716  C CE   . LYS   A 48  ? 0.778851 0.438146 0.603351 -0.0833532  -0.0346241  -0.0380751  60  LYS   A CE   
717  N NZ   . LYS   A 48  ? 0.897646 0.501782 0.698353 -0.0819221  -0.0442758  -0.0481276  60  LYS   A NZ   
718  H H    . LYS   A 48  ? 0.455137 0.289285 0.364478 -0.0728499  0.0120858   -0.00289844 60  LYS   A H    
719  H HA   . LYS   A 48  ? 0.481083 0.303645 0.400498 -0.0641888  0.0271997   0.0201445   60  LYS   A HA   
720  H HB2  . LYS   A 48  ? 0.569855 0.321313 0.464535 -0.068729   0.0113679   0.00945142  60  LYS   A HB2  
721  H HB3  . LYS   A 48  ? 0.557013 0.323807 0.479735 -0.0878749  0.0002295   0.0125706   60  LYS   A HB3  
722  H HG2  . LYS   A 48  ? 0.605512 0.354188 0.481869 -0.0830174  -0.0128177  -0.0157235  60  LYS   A HG2  
723  H HG3  . LYS   A 48  ? 0.609237 0.353568 0.462228 -0.0629956  0.00313628  -0.0193694  60  LYS   A HG3  
724  H HD2  . LYS   A 48  ? 0.717433 0.391195 0.560395 -0.0688404  -0.0105361  -0.0203684  60  LYS   A HD2  
725  H HD3  . LYS   A 48  ? 0.708412 0.391957 0.58831  -0.0922757  -0.0245735  -0.0106459  60  LYS   A HD3  
726  H HE2  . LYS   A 48  ? 0.775707 0.441558 0.614414 -0.0958679  -0.0468549  -0.0367848  60  LYS   A HE2  
727  H HE3  . LYS   A 48  ? 0.771559 0.440055 0.576289 -0.0730008  -0.0267274  -0.0444549  60  LYS   A HE3  
728  H HZ1  . LYS   A 48  ? 0.884257 0.480192 0.706568 -0.091195   -0.0491671  -0.0402447  60  LYS   A HZ1  
729  H HZ2  . LYS   A 48  ? 0.883181 0.480605 0.667432 -0.0679184  -0.0329318  -0.0509496  60  LYS   A HZ2  
730  H HZ3  . LYS   A 48  ? 0.90178  0.485375 0.682263 -0.0852328  -0.056936   -0.0594913  60  LYS   A HZ3  
731  N N    . LEU   A 49  ? 0.497248 0.308466 0.373257 -0.0362494  0.0351171   0.00332335  61  LEU   A N    
732  C CA   . LEU   A 49  ? 0.583104 0.395244 0.441663 -0.019571   0.0409003   -0.00567931 61  LEU   A CA   
733  C C    . LEU   A 49  ? 0.699272 0.472339 0.535801 -0.0197597  0.0355409   -0.0177647  61  LEU   A C    
734  O O    . LEU   A 49  ? 0.628268 0.367046 0.46165  -0.0296453  0.0259788   -0.0170611  61  LEU   A O    
735  C CB   . LEU   A 49  ? 0.581995 0.396428 0.439854 -0.0038479  0.0476169   0.00456451  61  LEU   A CB   
736  C CG   . LEU   A 49  ? 0.613998 0.460387 0.483537 -0.00118085 0.0522805   0.0174306   61  LEU   A CG   
737  C CD1  . LEU   A 49  ? 0.706468 0.549561 0.568258 0.0166764   0.0566993   0.0296476   61  LEU   A CD1  
738  C CD2  . LEU   A 49  ? 0.637562 0.521496 0.512357 -9.627e-05  0.0528127   0.00762638  61  LEU   A CD2  
739  H H    . LEU   A 49  ? 0.52629  0.333806 0.410412 -0.0373304  0.0370784   0.0140351   61  LEU   A H    
740  H HA   . LEU   A 49  ? 0.555961 0.391615 0.417118 -0.0180958  0.0433426   -0.0106911  61  LEU   A HA   
741  H HB2  . LEU   A 49  ? 0.621277 0.407764 0.475469 -0.00489073 0.0456839   0.00928679  61  LEU   A HB2  
742  H HB3  . LEU   A 49  ? 0.596052 0.416089 0.447345 0.00762495  0.0507854   -0.0017083  61  LEU   A HB3  
743  H HG   . LEU   A 49  ? 0.624582 0.467411 0.503062 -0.0117871  0.0517026   0.0249331   61  LEU   A HG   
744  H HD11 . LEU   A 49  ? 0.708546 0.523754 0.567971 0.0150738   0.0564895   0.0363107   61  LEU   A HD11 
745  H HD12 . LEU   A 49  ? 0.678344 0.539542 0.542042 0.0189038   0.0594891   0.0378635   61  LEU   A HD12 
746  H HD13 . LEU   A 49  ? 0.683641 0.5338   0.540953 0.0278913   0.0566458   0.0228574   61  LEU   A HD13 
747  H HD21 . LEU   A 49  ? 0.607316 0.4927   0.487784 -0.0111011  0.0504699   0.0040169   61  LEU   A HD21 
748  H HD22 . LEU   A 49  ? 0.617538 0.505295 0.488687 0.0067469   0.0531042   -0.00039103 61  LEU   A HD22 
749  H HD23 . LEU   A 49  ? 0.61397  0.515867 0.490431 0.00512286  0.0550077   0.0131972   61  LEU   A HD23 
750  N N    . SER   A 50  ? 0.771111 0.547965 0.592115 -0.00937736 0.0414731   -0.0292647  62  SER   A N    
751  C CA   . SER   A 50  ? 0.881669 0.619203 0.673168 -0.00737933 0.0381354   -0.0419619  62  SER   A CA   
752  C C    . SER   A 50  ? 0.88079  0.576851 0.659609 0.00203438  0.0368638   -0.0423403  62  SER   A C    
753  O O    . SER   A 50  ? 0.973895 0.625984 0.728938 -0.00134166 0.027773    -0.0523968  62  SER   A O    
754  C CB   . SER   A 50  ? 0.827829 0.579635 0.605618 0.00379917  0.0500252   -0.0511674  62  SER   A CB   
755  O OG   . SER   A 50  ? 0.791346 0.56708  0.582608 0.0210173   0.0625029   -0.0477936  62  SER   A OG   
756  H H    . SER   A 50  ? 0.745524 0.548424 0.573579 -0.00339418 0.0477459   -0.0293479  62  SER   A H    
757  H HA   . SER   A 50  ? 0.852009 0.578362 0.640516 -0.0200645  0.0281819   -0.043937   62  SER   A HA   
758  H HB2  . SER   A 50  ? 0.863767 0.587731 0.616761 0.00723759  0.049435    -0.0595656  62  SER   A HB2  
759  H HB3  . SER   A 50  ? 0.810049 0.582283 0.595323 -0.00385265 0.0496064   -0.0504401  62  SER   A HB3  
761  N N    . ASN   A 51  ? 0.954811 0.66265  0.747368 0.0147505   0.0444492   -0.0317988  63  ASN   A N    
762  C CA   . ASN   A 51  ? 1.01873  0.689166 0.806355 0.0232859   0.0433284   -0.0260722  63  ASN   A CA   
763  C C    . ASN   A 51  ? 1.10379  0.745197 0.901486 0.0032887   0.031017    -0.0169689  63  ASN   A C    
764  O O    . ASN   A 51  ? 1.0762   0.674116 0.868066 0.00565542  0.0273641   -0.01411    63  ASN   A O    
765  C CB   . ASN   A 51  ? 0.888889 0.586652 0.691615 0.0401074   0.0521829   -0.0122324  63  ASN   A CB   
766  H H    . ASN   A 51  ? 0.910783 0.651381 0.715978 0.0189071   0.0499746   -0.0277065  63  ASN   A H    
767  H HA   . ASN   A 51  ? 1.03144  0.675666 0.799543 0.0327309   0.0448673   -0.0363787  63  ASN   A HA   
770  N N    . GLY   A 52  ? 1.116    0.783135 0.934205 -0.0159426  0.0256665   -0.0104343  64  GLY   A N    
771  C CA   . GLY   A 52  ? 1.11662  0.769132 0.956545 -0.036822   0.0158687   0.00098484  64  GLY   A CA   
772  C C    . GLY   A 52  ? 1.06113  0.721045 0.921669 -0.0351051  0.0249475   0.0247585   64  GLY   A C    
773  O O    . GLY   A 52  ? 1.18108  0.818065 1.06009  -0.0504111  0.0195863   0.0364757   64  GLY   A O    
774  H H    . GLY   A 52  ? 1.06863  0.765625 0.890411 -0.0157871  0.0289351   -0.0126338  64  GLY   A H    
775  H HA2  . GLY   A 52  ? 1.08261  0.756315 0.934059 -0.0478725  0.0120336   0.00064714  64  GLY   A HA2  
776  H HA3  . GLY   A 52  ? 1.13951  0.754531 0.969688 -0.0419185  0.00631949  -0.00631058 64  GLY   A HA3  
777  N N    . LYS   A 53  ? 1.00316  0.694096 0.860979 -0.0171274  0.0378357   0.0330447   65  LYS   A N    
778  C CA   . LYS   A 53  ? 0.980681 0.670569 0.845714 -0.0100732  0.0465982   0.0561563   65  LYS   A CA   
779  C C    . LYS   A 53  ? 0.926567 0.653413 0.813043 -0.0203164  0.0539242   0.0737259   65  LYS   A C    
780  O O    . LYS   A 53  ? 0.798008 0.521672 0.691788 -0.0193143  0.0628851   0.0969177   65  LYS   A O    
781  C CB   . LYS   A 53  ? 0.947242 0.64128  0.793718 0.0174019   0.0528525   0.0557482   65  LYS   A CB   
782  H H    . LYS   A 53  ? 0.981179 0.694129 0.832269 -0.00925414 0.0405566   0.0247763   65  LYS   A H    
783  H HA   . LYS   A 53  ? 1.00733  0.662091 0.875135 -0.0163603  0.0429336   0.0611073   65  LYS   A HA   
786  N N    . LYS   A 54  ? 0.715252 0.47388  0.611549 -0.0300208  0.0514444   0.0639846   66  LYS   A N    
787  C CA   . LYS   A 54  ? 0.688009 0.482976 0.603454 -0.0370858  0.0591582   0.0757821   66  LYS   A CA   
788  C C    . LYS   A 54  ? 0.736668 0.537882 0.669287 -0.0551671  0.0484831   0.0633487   66  LYS   A C    
789  O O    . LYS   A 54  ? 0.726349 0.524718 0.643659 -0.0527931  0.0402117   0.0436893   66  LYS   A O    
790  C CB   . LYS   A 54  ? 0.595043 0.428094 0.495008 -0.0191187  0.0667068   0.0726196   66  LYS   A CB   
791  H H    . LYS   A 54  ? 0.747662 0.504091 0.637004 -0.0309643  0.0452644   0.0489309   66  LYS   A H    
792  H HA   . LYS   A 54  ? 0.704428 0.492114 0.63121  -0.0415517  0.0649026   0.0927521   66  LYS   A HA   
795  N N    . PHE   A 55  ? 0.650654 0.458118 0.615257 -0.0720587  0.0487937   0.0764396   67  PHE   A N    
796  C CA   . PHE   A 55  ? 0.630387 0.443372 0.619331 -0.0902593  0.0358877   0.0694339   67  PHE   A CA   
797  C C    . PHE   A 55  ? 0.595253 0.450121 0.61535  -0.094041   0.0472858   0.0830727   67  PHE   A C    
798  O O    . PHE   A 55  ? 0.645219 0.508592 0.681699 -0.0940128  0.0622929   0.10446     67  PHE   A O    
799  C CB   . PHE   A 55  ? 0.678335 0.451069 0.684115 -0.108306   0.021695    0.0728113   67  PHE   A CB   
800  C CG   . PHE   A 55  ? 0.74486  0.514492 0.769298 -0.126662   -0.00012055 0.0610924   67  PHE   A CG   
801  C CD1  . PHE   A 55  ? 0.802669 0.597548 0.876427 -0.143522   -0.00277085 0.0745512   67  PHE   A CD1  
802  C CD2  . PHE   A 55  ? 0.882115 0.625838 0.874465 -0.125305   -0.0176934  0.0376208   67  PHE   A CD2  
803  C CE1  . PHE   A 55  ? 0.797257 0.592312 0.890049 -0.158869   -0.0262799  0.0644686   67  PHE   A CE1  
804  C CE2  . PHE   A 55  ? 0.951195 0.691213 0.954352 -0.140107   -0.0402213  0.0275388   67  PHE   A CE2  
805  C CZ   . PHE   A 55  ? 0.863939 0.629587 0.918516 -0.157175   -0.0465938  0.0407648   67  PHE   A CZ   
806  H H    . PHE   A 55  ? 0.677693 0.487511 0.651212 -0.071567   0.0581208   0.0925042   67  PHE   A H    
807  H HA   . PHE   A 55  ? 0.620797 0.434039 0.594234 -0.0873742  0.0285342   0.0536486   67  PHE   A HA   
808  H HB2  . PHE   A 55  ? 0.710408 0.454416 0.692968 -0.102097   0.0181081   0.0655006   67  PHE   A HB2  
809  H HB3  . PHE   A 55  ? 0.69987  0.475255 0.727437 -0.113665   0.0297957   0.0905342   67  PHE   A HB3  
810  H HD1  . PHE   A 55  ? 0.780456 0.593919 0.875293 -0.143498   0.0117789   0.0914327   67  PHE   A HD1  
811  H HD2  . PHE   A 55  ? 0.865564 0.594796 0.827804 -0.113238   -0.0141558  0.0290565   67  PHE   A HD2  
812  H HE1  . PHE   A 55  ? 0.804283 0.619617 0.935428 -0.169553   -0.0282245  0.0745197   67  PHE   A HE1  
813  H HE2  . PHE   A 55  ? 0.927903 0.648354 0.903556 -0.137673   -0.0511724  0.0123562   67  PHE   A HE2  
814  H HZ   . PHE   A 55  ? 0.871977 0.636358 0.935192 -0.16643    -0.064047   0.0342512   67  PHE   A HZ   
815  N N    . ASP   A 56  ? 0.528311 0.407489 0.556665 -0.0961941  0.0418124   0.0724064   68  ASP   A N    
816  C CA   . ASP   A 56  ? 0.513864 0.43264  0.567382 -0.0943377  0.0543662   0.0820817   68  ASP   A CA   
817  C C    . ASP   A 56  ? 0.539109 0.467628 0.623221 -0.108262   0.0387724   0.0765431   68  ASP   A C    
818  O O    . ASP   A 56  ? 0.560896 0.474694 0.627791 -0.110715   0.0214084   0.0591795   68  ASP   A O    
819  C CB   . ASP   A 56  ? 0.486731 0.427969 0.512613 -0.0750529  0.0655783   0.0733055   68  ASP   A CB   
820  C CG   . ASP   A 56  ? 0.490636 0.467199 0.536535 -0.0708375  0.0759293   0.0765132   68  ASP   A CG   
821  O OD1  . ASP   A 56  ? 0.470232 0.463051 0.549826 -0.0760938  0.0868355   0.0945807   68  ASP   A OD1  
822  O OD2  . ASP   A 56  ? 0.512001 0.499099 0.543258 -0.062675   0.0732141   0.0609451   68  ASP   A OD2  
823  H H    . ASP   A 56  ? 0.536814 0.405855 0.553182 -0.0977262  0.0303645   0.0586871   68  ASP   A H    
824  H HA   . ASP   A 56  ? 0.529471 0.453541 0.599984 -0.0964484  0.0652538   0.0987362   68  ASP   A HA   
825  H HB2  . ASP   A 56  ? 0.503393 0.442587 0.51328  -0.0657632  0.0750271   0.0794162   68  ASP   A HB2  
826  H HB3  . ASP   A 56  ? 0.486013 0.41919  0.494377 -0.0730198  0.0564181   0.05857     68  ASP   A HB3  
827  N N    . SER   A 57  ? 0.515331 0.470303 0.645138 -0.115827   0.0460157   0.0930119   69  SER   A N    
828  C CA   . SER   A 57  ? 0.570697 0.538647 0.739547 -0.129225   0.0292578   0.0915204   69  SER   A CA   
829  C C    . SER   A 57  ? 0.575443 0.58845  0.782397 -0.123126   0.0464156   0.104137    69  SER   A C    
830  O O    . SER   A 57  ? 0.572708 0.605285 0.808152 -0.123021   0.0675003   0.125187    69  SER   A O    
831  C CB   . SER   A 57  ? 0.655086 0.602798 0.858211 -0.151907   0.0116489   0.0994152   69  SER   A CB   
832  O OG   . SER   A 57  ? 0.724504 0.680717 0.95743  -0.163936   -0.0124964  0.0932886   69  SER   A OG   
833  H H    . SER   A 57  ? 0.537658 0.504267 0.675283 -0.111621   0.062264    0.10647     69  SER   A H    
834  H HA   . SER   A 57  ? 0.563373 0.522684 0.711656 -0.127058   0.0166182   0.0764339   69  SER   A HA   
835  H HB2  . SER   A 57  ? 0.673791 0.59001  0.849833 -0.153456   0.00354367  0.0915362   69  SER   A HB2  
836  H HB3  . SER   A 57  ? 0.665089 0.624618 0.896638 -0.156049   0.0246618   0.116743    69  SER   A HB3  
838  N N    . SER   A 58  ? 0.525816 0.554058 0.736467 -0.118177   0.03755     0.0929121   70  SER   A N    
839  C CA   . SER   A 58  ? 0.508087 0.576865 0.763697 -0.113259   0.0493296   0.103967    70  SER   A CA   
840  C C    . SER   A 58  ? 0.504418 0.58973  0.826765 -0.1324     0.0421173   0.122437    70  SER   A C    
841  O O    . SER   A 58  ? 0.517281 0.638716 0.884485 -0.12916    0.0627909   0.140793    70  SER   A O    
842  C CB   . SER   A 58  ? 0.458121 0.533468 0.70727  -0.105263   0.0373802   0.0892775   70  SER   A CB   
843  O OG   . SER   A 58  ? 0.49621  0.554718 0.754369 -0.120463   0.0058146   0.0826302   70  SER   A OG   
844  H H    . SER   A 58  ? 0.528416 0.541298 0.713727 -0.116898   0.025129    0.0790919   70  SER   A H    
845  H HA   . SER   A 58  ? 0.499986 0.581646 0.748169 -0.101631   0.071305    0.110313    70  SER   A HA   
846  H HB2  . SER   A 58  ? 0.467058 0.568727 0.744253 -0.0988463  0.0474828   0.0962076   70  SER   A HB2  
847  H HB3  . SER   A 58  ? 0.467907 0.53162  0.678284 -0.095522   0.0408954   0.0777828   70  SER   A HB3  
849  N N    . HIS   A 59  ? 0.553308 0.613408 0.885    -0.152262   0.0127199   0.117587    71  HIS   A N    
850  C CA   . HIS   A 59  ? 0.656964 0.731548 1.05756  -0.173809   0.00172117  0.134303    71  HIS   A CA   
851  C C    . HIS   A 59  ? 0.692431 0.782852 1.12576  -0.177288   0.0319599   0.160406    71  HIS   A C    
852  O O    . HIS   A 59  ? 0.722898 0.850597 1.22609  -0.186046   0.0401419   0.180862    71  HIS   A O    
853  C CB   . HIS   A 59  ? 0.729589 0.763357 1.12275  -0.194448   -0.0353885  0.122109    71  HIS   A CB   
854  C CG   . HIS   A 59  ? 0.774273 0.797457 1.14413  -0.192464   -0.0655307  0.101938    71  HIS   A CG   
855  N ND1  . HIS   A 59  ? 0.816756 0.873096 1.23682  -0.195928   -0.0814006  0.106477    71  HIS   A ND1  
856  C CD2  . HIS   A 59  ? 0.858546 0.84501  1.16271  -0.185644   -0.0807855  0.0799226   71  HIS   A CD2  
857  C CE1  . HIS   A 59  ? 0.835234 0.872067 1.21654  -0.191281   -0.10698    0.0882394   71  HIS   A CE1  
858  N NE2  . HIS   A 59  ? 0.857171 0.851815 1.16744  -0.185289   -0.105267   0.0723661   71  HIS   A NE2  
859  H H    . HIS   A 59  ? 0.56818  0.601703 0.863887 -0.152546   -0.00101656 0.103479    71  HIS   A H    
860  H HA   . HIS   A 59  ? 0.641042 0.743299 1.07537  -0.172351   -0.00200473 0.137228    71  HIS   A HA   
861  H HB2  . HIS   A 59  ? 0.739926 0.743736 1.09493  -0.193103   -0.0321674  0.116694    71  HIS   A HB2  
862  H HB3  . HIS   A 59  ? 0.740702 0.783152 1.18243  -0.210329   -0.0426081  0.133741    71  HIS   A HB3  
864  H HD2  . HIS   A 59  ? 0.845263 0.80636  1.10792  -0.180946   -0.0749991  0.0722833   71  HIS   A HD2  
865  H HE1  . HIS   A 59  ? 0.83379  0.885012 1.23543  -0.191426   -0.122987   0.0878832   71  HIS   A HE1  
867  N N    . ASP   A 60  ? 0.715321 0.781177 1.10069  -0.168648   0.0504793   0.162019    72  ASP   A N    
868  C CA   . ASP   A 60  ? 0.784745 0.861256 1.18949  -0.168534   0.0818221   0.189118    72  ASP   A CA   
869  C C    . ASP   A 60  ? 0.692997 0.815803 1.11068  -0.148433   0.117454    0.203583    72  ASP   A C    
870  O O    . ASP   A 60  ? 0.735912 0.869752 1.16188  -0.14417    0.147656    0.227293    72  ASP   A O    
871  C CB   . ASP   A 60  ? 0.839396 0.878697 1.18069  -0.158235   0.0922997   0.186725    72  ASP   A CB   
872  C CG   . ASP   A 60  ? 0.884755 0.872222 1.20291  -0.172306   0.0646477   0.173322    72  ASP   A CG   
873  O OD1  . ASP   A 60  ? 1.04771  1.0254   1.40865  -0.195578   0.0408853   0.173666    72  ASP   A OD1  
874  O OD2  . ASP   A 60  ? 0.870878 0.829251 1.12947  -0.158865   0.0657649   0.161238    72  ASP   A OD2  
875  H H    . ASP   A 60  ? 0.720789 0.76263  1.05983  -0.16203    0.0435661   0.146837    72  ASP   A H    
876  H HA   . ASP   A 60  ? 0.779922 0.857364 1.23001  -0.186784   0.0752294   0.201566    72  ASP   A HA   
877  H HB2  . ASP   A 60  ? 0.820706 0.86204  1.1217   -0.141089   0.0978137   0.174624    72  ASP   A HB2  
878  H HB3  . ASP   A 60  ? 0.849113 0.895496 1.20183  -0.157132   0.11358     0.206791    72  ASP   A HB3  
879  N N    . ARG   A 61  ? 0.6741   0.818128 1.08178  -0.132458   0.116543    0.188609    73  ARG   A N    
880  C CA   . ARG   A 61  ? 0.674018 0.862351 1.10408  -0.113961   0.14787     0.200997    73  ARG   A CA   
881  C C    . ARG   A 61  ? 0.540821 0.767955 1.05349  -0.125386   0.138815    0.210903    73  ARG   A C    
882  O O    . ARG   A 61  ? 0.538039 0.80693  1.08536  -0.111377   0.164094    0.223314    73  ARG   A O    
883  C CB   . ARG   A 61  ? 0.591341 0.773635 0.956001 -0.0872279  0.15417     0.178213    73  ARG   A CB   
884  H H    . ARG   A 61  ? 0.661542 0.790442 1.04582  -0.131811   0.0972324   0.170306    73  ARG   A H    
885  H HA   . ARG   A 61  ? 0.651691 0.846533 1.08522  -0.111419   0.171345    0.21903     73  ARG   A HA   
888  N N    . ASN   A 62  ? 0.531033 0.743401 1.0714   -0.148472   0.100467    0.202965    74  ASN   A N    
889  C CA   . ASN   A 62  ? 0.53137  0.775443 1.14209  -0.158915   0.0792292   0.20584     74  ASN   A CA   
890  C C    . ASN   A 62  ? 0.475713 0.7428   1.07905  -0.13531    0.0816609   0.193514    74  ASN   A C    
891  O O    . ASN   A 62  ? 0.53025  0.833527 1.19788  -0.13728    0.0725868   0.20087     74  ASN   A O    
892  C CB   . ASN   A 62  ? 0.4579   0.74198  1.15935  -0.175088   0.0946326   0.237644    74  ASN   A CB   
893  H H    . ASN   A 62  ? 0.545965 0.72595  1.05863  -0.157452   0.0856926   0.195039    74  ASN   A H    
894  H HA   . ASN   A 62  ? 0.509499 0.729661 1.11451  -0.172982   0.0486845   0.194533    74  ASN   A HA   
897  N N    . GLU   A 63  ? 0.484599 0.730839 1.01422  -0.113129   0.0922786   0.175082    75  GLU   A N    
898  C CA   . GLU   A 63  ? 0.522104 0.785747 1.04317  -0.0891104  0.1         0.16462     75  GLU   A CA   
899  C C    . GLU   A 63  ? 0.480355 0.702123 0.926817 -0.0820854  0.0814273   0.137038    75  GLU   A C    
900  O O    . GLU   A 63  ? 0.417212 0.604921 0.809631 -0.0859696  0.0794155   0.127904    75  GLU   A O    
901  C CB   . GLU   A 63  ? 0.584219 0.875311 1.10127  -0.0633436  0.143794    0.173779    75  GLU   A CB   
902  C CG   . GLU   A 63  ? 0.640604 0.903703 1.08035  -0.0504305  0.163776    0.165443    75  GLU   A CG   
903  C CD   . GLU   A 63  ? 0.734435 1.01347  1.14598  -0.0206369  0.202062    0.16654     75  GLU   A CD   
904  O OE1  . GLU   A 63  ? 0.762243 1.01482  1.10328  -0.00634529 0.206128    0.14897     75  GLU   A OE1  
905  O OE2  . GLU   A 63  ? 0.77584  1.09429  1.23521  -0.0105626  0.228489    0.184771    75  GLU   A OE2  
906  H H    . GLU   A 63  ? 0.495827 0.714854 0.980689 -0.113427   0.0933262   0.168457    75  GLU   A H    
907  H HA   . GLU   A 63  ? 0.509975 0.793659 1.07709  -0.0933559  0.0864958   0.168498    75  GLU   A HA   
908  H HB2  . GLU   A 63  ? 0.575859 0.877611 1.09616  -0.0491053  0.144693    0.166359    75  GLU   A HB2  
909  H HB3  . GLU   A 63  ? 0.587524 0.906027 1.15191  -0.0677542  0.158966    0.193507    75  GLU   A HB3  
910  H HG2  . GLU   A 63  ? 0.653427 0.908778 1.09432  -0.0623477  0.166479    0.176141    75  GLU   A HG2  
911  H HG3  . GLU   A 63  ? 0.636705 0.872591 1.03567  -0.0504541  0.146306    0.147253    75  GLU   A HG3  
912  N N    . PRO   A 64  ? 0.476219 0.698931 0.92124  -0.072244   0.0664122   0.124553    76  PRO   A N    
913  C CA   . PRO   A 64  ? 0.459274 0.643015 0.841181 -0.0690034  0.0491898   0.102158    76  PRO   A CA   
914  C C    . PRO   A 64  ? 0.394226 0.564016 0.71933  -0.0516376  0.0730243   0.090805    76  PRO   A C    
915  O O    . PRO   A 64  ? 0.402924 0.594503 0.734988 -0.0354933  0.101083    0.0969038   76  PRO   A O    
916  C CB   . PRO   A 64  ? 0.469513 0.660894 0.871447 -0.0612158  0.0318157   0.0972958   76  PRO   A CB   
917  C CG   . PRO   A 64  ? 0.546628 0.781401 1.0303   -0.0664497  0.030279    0.117401    76  PRO   A CG   
918  C CD   . PRO   A 64  ? 0.488252 0.748365 0.994201 -0.0639206  0.0649456   0.133145    76  PRO   A CD   
919  H HA   . PRO   A 64  ? 0.453085 0.615634 0.820394 -0.0830862  0.032201    0.0987954   76  PRO   A HA   
920  H HB2  . PRO   A 64  ? 0.481139 0.673142 0.867074 -0.045015   0.0448193   0.0908749   76  PRO   A HB2  
921  H HB3  . PRO   A 64  ? 0.484353 0.653332 0.866017 -0.069151   0.00933063  0.0893516   76  PRO   A HB3  
922  H HG2  . PRO   A 64  ? 0.51283  0.763182 1.01745  -0.0543628  0.0304022   0.117999    76  PRO   A HG2  
923  H HG3  . PRO   A 64  ? 0.517205 0.747297 1.01754  -0.0829254  0.00715815  0.120008    76  PRO   A HG3  
924  H HD2  . PRO   A 64  ? 0.498817 0.772853 1.00259  -0.0456652  0.0873672   0.133379    76  PRO   A HD2  
925  H HD3  . PRO   A 64  ? 0.499325 0.782299 1.05692  -0.0750213  0.0622899   0.147781    76  PRO   A HD3  
926  N N    . PHE   A 65  ? 0.374577 0.508678 0.644216 -0.0544626  0.0605626   0.0739509   77  PHE   A N    
927  C CA   . PHE   A 65  ? 0.378311 0.497561 0.595991 -0.0398154  0.0744241   0.0594543   77  PHE   A CA   
928  C C    . PHE   A 65  ? 0.363628 0.476512 0.572839 -0.028029   0.0681608   0.0458738   77  PHE   A C    
929  O O    . PHE   A 65  ? 0.364212 0.464076 0.576718 -0.0357388  0.0462283   0.0424749   77  PHE   A O    
930  C CB   . PHE   A 65  ? 0.409958 0.49892  0.583953 -0.0499569  0.0645699   0.0510763   77  PHE   A CB   
931  C CG   . PHE   A 65  ? 0.385736 0.461412 0.511695 -0.0374622  0.0733234   0.0356397   77  PHE   A CG   
932  C CD1  . PHE   A 65  ? 0.458532 0.544596 0.568182 -0.024198   0.0948977   0.0379177   77  PHE   A CD1  
933  C CD2  . PHE   A 65  ? 0.403105 0.457526 0.502054 -0.0381601  0.0599504   0.0195456   77  PHE   A CD2  
934  C CE1  . PHE   A 65  ? 0.464032 0.538674 0.531012 -0.0131242  0.0979229   0.0219842   77  PHE   A CE1  
935  C CE2  . PHE   A 65  ? 0.386451 0.432171 0.450544 -0.0287098  0.0658811   0.00542137  77  PHE   A CE2  
936  C CZ   . PHE   A 65  ? 0.423533 0.479184 0.471923 -0.0166808  0.0823553   0.00538776  77  PHE   A CZ   
937  H H    . PHE   A 65  ? 0.380409 0.499309 0.645699 -0.0661502  0.0419057   0.0712798   77  PHE   A H    
938  H HA   . PHE   A 65  ? 0.387663 0.521162 0.606873 -0.0303413  0.0944611   0.0650155   77  PHE   A HA   
939  H HB2  . PHE   A 65  ? 0.400694 0.49213  0.58199  -0.056153   0.0693434   0.0607411   77  PHE   A HB2  
940  H HB3  . PHE   A 65  ? 0.394147 0.469183 0.565772 -0.0588733  0.0465689   0.0467673   77  PHE   A HB3  
941  H HD1  . PHE   A 65  ? 0.448126 0.548589 0.575173 -0.0232201  0.106688    0.0508961   77  PHE   A HD1  
942  H HD2  . PHE   A 65  ? 0.391449 0.43749  0.496494 -0.0455314  0.0463978   0.0189187   77  PHE   A HD2  
943  H HE1  . PHE   A 65  ? 0.467399 0.547745 0.518983 -0.00331599 0.110435    0.0231388   77  PHE   A HE1  
944  H HE2  . PHE   A 65  ? 0.395619 0.428187 0.446308 -0.0309361  0.0576609   -0.00381088 77  PHE   A HE2  
945  H HZ   . PHE   A 65  ? 0.429191 0.478984 0.454196 -0.0105574  0.0831186   -0.00540199 77  PHE   A HZ   
946  N N    . VAL   A 66  ? 0.416639 0.536333 0.613502 -0.00857093 0.0875      0.0389189   78  VAL   A N    
947  C CA   . VAL   A 66  ? 0.446354 0.55899  0.641255 0.0047043   0.0846865   0.0272633   78  VAL   A CA   
948  C C    . VAL   A 66  ? 0.467803 0.556308 0.611443 0.0125225   0.0886201   0.00734528  78  VAL   A C    
949  O O    . VAL   A 66  ? 0.434035 0.526709 0.553854 0.0203827   0.104325    0.00446919  78  VAL   A O    
950  C CB   . VAL   A 66  ? 0.483303 0.624709 0.715192 0.0237853   0.103781    0.0346584   78  VAL   A CB   
951  C CG1  . VAL   A 66  ? 0.493082 0.621031 0.721733 0.0395017   0.100333    0.0216368   78  VAL   A CG1  
952  C CG2  . VAL   A 66  ? 0.492003 0.665363 0.785902 0.014754    0.100366    0.0565527   78  VAL   A CG2  
953  H H    . VAL   A 66  ? 0.41679  0.54344  0.603822 -0.00259079 0.102936    0.0412484   78  VAL   A H    
954  H HA   . VAL   A 66  ? 0.441267 0.54473  0.643674 -0.00312914 0.0675092   0.027311    78  VAL   A HA   
955  H HB   . VAL   A 66  ? 0.490764 0.638879 0.708184 0.0330151   0.122238    0.0340527   78  VAL   A HB   
956  H HG11 . VAL   A 66  ? 0.487719 0.602338 0.718522 0.0305983   0.08173     0.0207997   78  VAL   A HG11 
957  H HG12 . VAL   A 66  ? 0.504442 0.616435 0.699235 0.0470552   0.106362    0.00804599  78  VAL   A HG12 
958  H HG13 . VAL   A 66  ? 0.50149  0.649169 0.760036 0.0514234   0.11059     0.0280786   78  VAL   A HG13 
959  H HG21 . VAL   A 66  ? 0.492595 0.684571 0.814556 0.0276254   0.109958    0.0608068   78  VAL   A HG21 
960  H HG22 . VAL   A 66  ? 0.485412 0.669301 0.784322 0.00864169  0.109492    0.0657392   78  VAL   A HG22 
961  H HG23 . VAL   A 66  ? 0.479091 0.643372 0.780213 0.00247347  0.079095    0.0573491   78  VAL   A HG23 
962  N N    . PHE   A 67  ? 0.417272 0.480845 0.545525 0.0105717   0.0738307   -0.00531159 79  PHE   A N    
963  C CA   . PHE   A 67  ? 0.388298 0.430533 0.477658 0.0161759   0.075342    -0.0247191  79  PHE   A CA   
964  C C    . PHE   A 67  ? 0.419655 0.439075 0.510712 0.017891    0.06402     -0.0335823  79  PHE   A C    
965  O O    . PHE   A 67  ? 0.410544 0.428571 0.524914 0.0132318   0.0528608   -0.0234009  79  PHE   A O    
966  C CB   . PHE   A 67  ? 0.415199 0.447099 0.476454 0.00231954  0.0683808   -0.0280297  79  PHE   A CB   
967  C CG   . PHE   A 67  ? 0.398395 0.412485 0.4577   -0.0143107  0.0504856   -0.0261308  79  PHE   A CG   
968  C CD1  . PHE   A 67  ? 0.445727 0.463785 0.522495 -0.025383   0.0408975   -0.0122006  79  PHE   A CD1  
969  C CD2  . PHE   A 67  ? 0.400754 0.393237 0.440607 -0.0185823  0.0433197   -0.0381457  79  PHE   A CD2  
970  C CE1  . PHE   A 67  ? 0.420185 0.418965 0.485728 -0.0375424  0.0255249   -0.0113497  79  PHE   A CE1  
971  C CE2  . PHE   A 67  ? 0.381377 0.358009 0.415953 -0.0315265  0.0314526   -0.0340929  79  PHE   A CE2  
972  C CZ   . PHE   A 67  ? 0.401667 0.38004  0.444211 -0.0396597  0.0229116   -0.021342   79  PHE   A CZ   
973  H H    . PHE   A 67  ? 0.415539 0.475366 0.558609 0.00529211  0.0622148   -0.00112155 79  PHE   A H    
974  H HA   . PHE   A 67  ? 0.419826 0.469212 0.501535 0.0291109   0.0886426   -0.0293385  79  PHE   A HA   
975  H HB2  . PHE   A 67  ? 0.414146 0.438519 0.453765 0.00738526  0.0707772   -0.0400741  79  PHE   A HB2  
976  H HB3  . PHE   A 67  ? 0.401071 0.445312 0.465244 0.00039919  0.0741424   -0.0193064  79  PHE   A HB3  
977  H HD1  . PHE   A 67  ? 0.422694 0.456221 0.51812  -0.0245783  0.0448962   -0.00328898 79  PHE   A HD1  
978  H HD2  . PHE   A 67  ? 0.406668 0.395059 0.436702 -0.0125592  0.0469491   -0.0488807  79  PHE   A HD2  
979  H HE1  . PHE   A 67  ? 0.418526 0.417786 0.491985 -0.0443384  0.0171419   -0.00373831 79  PHE   A HE1  
980  H HE2  . PHE   A 67  ? 0.395863 0.35979  0.42024  -0.0347377  0.0291678   -0.0402902  79  PHE   A HE2  
981  H HZ   . PHE   A 67  ? 0.404238 0.36982  0.437216 -0.046673   0.0152485   -0.0193351  79  PHE   A HZ   
982  N N    . SER   A 68  ? 0.456214 0.456551 0.522445 0.0247795   0.0657106   -0.052071   80  SER   A N    
983  C CA   . SER   A 68  ? 0.470379 0.443427 0.537406 0.0255299   0.0562808   -0.0606995  80  SER   A CA   
984  C C    . SER   A 68  ? 0.461297 0.415311 0.511921 0.00661975  0.0436473   -0.0633979  80  SER   A C    
985  O O    . SER   A 68  ? 0.446998 0.400246 0.477156 0.0018317   0.0442354   -0.0736047  80  SER   A O    
986  C CB   . SER   A 68  ? 0.483581 0.442314 0.53677  0.0425988   0.0636886   -0.0804186  80  SER   A CB   
987  O OG   . SER   A 68  ? 0.525961 0.501023 0.597799 0.0628907   0.0777244   -0.0759071  80  SER   A OG   
988  H H    . SER   A 68  ? 0.456671 0.45969  0.505054 0.0288509   0.0719895   -0.0593284  80  SER   A H    
989  H HA   . SER   A 68  ? 0.465308 0.440573 0.553374 0.0273029   0.0529362   -0.0509371  80  SER   A HA   
990  H HB2  . SER   A 68  ? 0.498565 0.458698 0.530839 0.04289     0.066424    -0.0897856  80  SER   A HB2  
991  H HB3  . SER   A 68  ? 0.505833 0.442212 0.558459 0.0400651   0.0560628   -0.0866473  80  SER   A HB3  
993  N N    . LEU   A 69  ? 0.468661 0.40748  0.527997 -0.00220917 0.0328819   -0.0538937  81  LEU   A N    
994  C CA   . LEU   A 69  ? 0.420574 0.345767 0.464717 -0.0195267  0.0252265   -0.0517683  81  LEU   A CA   
995  C C    . LEU   A 69  ? 0.409706 0.315011 0.443864 -0.0230592  0.0250629   -0.0673105  81  LEU   A C    
996  O O    . LEU   A 69  ? 0.44594  0.333221 0.486048 -0.0151347  0.0247582   -0.0760757  81  LEU   A O    
997  C CB   . LEU   A 69  ? 0.455678 0.367734 0.506176 -0.0246934  0.0150241   -0.0363046  81  LEU   A CB   
998  C CG   . LEU   A 69  ? 0.475488 0.373592 0.506485 -0.0400867  0.0100794   -0.030124   81  LEU   A CG   
999  C CD1  . LEU   A 69  ? 0.459733 0.372578 0.478198 -0.0478306  0.00990135  -0.0266569  81  LEU   A CD1  
1000 C CD2  . LEU   A 69  ? 0.533795 0.412949 0.564297 -0.0406693  9.769e-05   -0.0155777  81  LEU   A CD2  
1001 H H    . LEU   A 69  ? 0.463231 0.400397 0.537275 0.00366654  0.0309382   -0.047957   81  LEU   A H    
1002 H HA   . LEU   A 69  ? 0.414611 0.352205 0.451611 -0.0246288  0.026637    -0.0496834  81  LEU   A HA   
1003 H HB2  . LEU   A 69  ? 0.445925 0.371893 0.507047 -0.0219887  0.0126604   -0.0280151  81  LEU   A HB2  
1004 H HB3  . LEU   A 69  ? 0.469199 0.367238 0.526646 -0.0189497  0.0137671   -0.0375005  81  LEU   A HB3  
1005 H HG   . LEU   A 69  ? 0.483981 0.372539 0.509689 -0.0439732  0.0134937   -0.0376006  81  LEU   A HG   
1006 H HD11 . LEU   A 69  ? 0.449658 0.373525 0.466969 -0.0466617  0.0159133   -0.0344212  81  LEU   A HD11 
1007 H HD12 . LEU   A 69  ? 0.46433  0.366445 0.468834 -0.0552101  0.00851693  -0.0234882  81  LEU   A HD12 
1008 H HD13 . LEU   A 69  ? 0.455982 0.37701  0.481555 -0.0460218  0.00503531  -0.0196393  81  LEU   A HD13 
1009 H HD21 . LEU   A 69  ? 0.53455  0.400572 0.572584 -0.0356913  0.00046121  -0.0170819  81  LEU   A HD21 
1010 H HD22 . LEU   A 69  ? 0.517217 0.40676  0.555809 -0.0370882  -0.00589612 -0.00878387 81  LEU   A HD22 
1011 H HD23 . LEU   A 69  ? 0.526248 0.395279 0.540468 -0.0489741  -0.00096315 -0.0110721  81  LEU   A HD23 
1012 N N    . GLY   A 70  ? 0.429048 0.337881 0.451247 -0.0349923  0.0244599   -0.0704754  82  GLY   A N    
1013 C CA   . GLY   A 70  ? 0.465473 0.359373 0.486653 -0.0440351  0.0217492   -0.0814464  82  GLY   A CA   
1014 C C    . GLY   A 70  ? 0.577988 0.470962 0.595617 -0.0357992  0.0207612   -0.102888   82  GLY   A C    
1015 O O    . GLY   A 70  ? 0.593346 0.467837 0.617182 -0.0428878  0.0151714   -0.113576   82  GLY   A O    
1016 H H    . GLY   A 70  ? 0.413249 0.334988 0.430506 -0.037674   0.0256383   -0.0652529  82  GLY   A H    
1017 H HA2  . GLY   A 70  ? 0.468357 0.369541 0.485184 -0.052477   0.0221221   -0.0787446  82  GLY   A HA2  
1018 H HA3  . GLY   A 70  ? 0.491455 0.367162 0.518922 -0.0475125  0.019584    -0.0769308  82  GLY   A HA3  
1019 N N    . LYS   A 71  ? 0.54741  0.457927 0.554529 -0.021294   0.0260401   -0.108203   83  LYS   A N    
1020 C CA   . LYS   A 71  ? 0.607917 0.516843 0.600347 -0.00980947 0.0251581   -0.129477   83  LYS   A CA   
1021 C C    . LYS   A 71  ? 0.661391 0.592489 0.636767 -0.0105049  0.0242052   -0.133402   83  LYS   A C    
1022 O O    . LYS   A 71  ? 0.882052 0.819057 0.836661 0.00332756  0.0259346   -0.145331   83  LYS   A O    
1023 C CB   . LYS   A 71  ? 0.557302 0.46846  0.545732 0.0114588   0.0354022   -0.131035   83  LYS   A CB   
1024 H H    . LYS   A 71  ? 0.545981 0.469302 0.553769 -0.018462   0.0303547   -0.0977877  83  LYS   A H    
1025 H HA   . LYS   A 71  ? 0.615337 0.506268 0.611352 -0.0143789  0.0183307   -0.140252   83  LYS   A HA   
1028 N N    . GLY   A 72  ? 0.810295 0.753354 0.791246 -0.0236784  0.0229106   -0.121431   84  GLY   A N    
1029 C CA   . GLY   A 72  ? 0.833168 0.797088 0.800743 -0.0225978  0.0226564   -0.120855   84  GLY   A CA   
1030 C C    . GLY   A 72  ? 0.727052 0.70563  0.676194 -0.00659937 0.0324773   -0.116038   84  GLY   A C    
1031 O O    . GLY   A 72  ? 0.661714 0.651116 0.591112 0.00085396  0.0309333   -0.121755   84  GLY   A O    
1032 H H    . GLY   A 72  ? 0.756469 0.693106 0.748586 -0.0326043  0.0223995   -0.113035   84  GLY   A H    
1033 H HA2  . GLY   A 72  ? 0.78239  0.751049 0.756515 -0.0311777  0.0235121   -0.110464   84  GLY   A HA2  
1034 H HA3  . GLY   A 72  ? 0.810893 0.774302 0.775369 -0.0238856  0.0149092   -0.13338    84  GLY   A HA3  
1035 N N    . GLN   A 73  ? 0.566475 0.547347 0.524438 -0.00181056 0.0426256   -0.102783   85  GLN   A N    
1036 C CA   . GLN   A 73  ? 0.501642 0.499802 0.451933 0.00917551  0.0551948   -0.0913969  85  GLN   A CA   
1037 C C    . GLN   A 73  ? 0.473844 0.482115 0.426948 -0.00063388 0.0556488   -0.0752209  85  GLN   A C    
1038 O O    . GLN   A 73  ? 0.404323 0.424997 0.349079 0.00600925  0.0647716   -0.06522    85  GLN   A O    
1039 C CB   . GLN   A 73  ? 0.470616 0.470225 0.439795 0.0167098   0.0645596   -0.0835854  85  GLN   A CB   
1040 C CG   . GLN   A 73  ? 0.504094 0.492439 0.46383  0.0327079   0.0678072   -0.1009     85  GLN   A CG   
1041 C CD   . GLN   A 73  ? 0.492279 0.485588 0.475107 0.0435799   0.0788728   -0.0921454  85  GLN   A CD   
1042 O OE1  . GLN   A 73  ? 0.498627 0.507685 0.507214 0.038208    0.0827685   -0.0725062  85  GLN   A OE1  
1043 N NE2  . GLN   A 73  ? 0.539617 0.519195 0.515566 0.059623    0.0827354   -0.10745    85  GLN   A NE2  
1044 H H    . GLN   A 73  ? 0.579887 0.551996 0.55137  -0.00590384 0.0415479   -0.0995321  85  GLN   A H    
1045 H HA   . GLN   A 73  ? 0.524768 0.525904 0.455769 0.0192965   0.0571912   -0.0998699  85  GLN   A HA   
1046 H HB2  . GLN   A 73  ? 0.467462 0.46121  0.453351 0.00767335  0.0593495   -0.0776511  85  GLN   A HB2  
1047 H HB3  . GLN   A 73  ? 0.475532 0.489034 0.447456 0.0208674   0.0737467   -0.0723992  85  GLN   A HB3  
1048 H HG2  . GLN   A 73  ? 0.516767 0.509375 0.454617 0.0427298   0.0722521   -0.107816   85  GLN   A HG2  
1049 H HG3  . GLN   A 73  ? 0.505578 0.477928 0.465379 0.0270423   0.0578782   -0.111679   85  GLN   A HG3  
1050 H HE21 . GLN   A 73  ? 0.53891  0.521805 0.530168 0.0679422   0.0896938   -0.102752   85  GLN   A HE21 
1051 H HE22 . GLN   A 73  ? 0.552725 0.519221 0.509362 0.0624922   0.0777862   -0.122929   85  GLN   A HE22 
1052 N N    . VAL   A 74  ? 0.358129 0.358357 0.3201   -0.015271   0.0468632   -0.0730455  86  VAL   A N    
1053 C CA   . VAL   A 74  ? 0.393234 0.3961   0.355945 -0.0237243  0.0464606   -0.060296   86  VAL   A CA   
1054 C C    . VAL   A 74  ? 0.379016 0.377824 0.337599 -0.0314193  0.0394225   -0.0669663  86  VAL   A C    
1055 O O    . VAL   A 74  ? 0.387634 0.382179 0.349908 -0.0334693  0.0343163   -0.0789524  86  VAL   A O    
1056 C CB   . VAL   A 74  ? 0.392734 0.388864 0.371863 -0.0321971  0.0447039   -0.0479181  86  VAL   A CB   
1057 C CG1  . VAL   A 74  ? 0.383599 0.391492 0.377332 -0.025773   0.0522492   -0.0374428  86  VAL   A CG1  
1058 C CG2  . VAL   A 74  ? 0.434213 0.415405 0.421082 -0.0383405  0.0379426   -0.0520166  86  VAL   A CG2  
1059 H H    . VAL   A 74  ? 0.395796 0.386805 0.362503 -0.0195838  0.0416634   -0.07979    86  VAL   A H    
1060 H HA   . VAL   A 74  ? 0.38495  0.395948 0.340352 -0.0183417  0.0514084   -0.0554363  86  VAL   A HA   
1061 H HB   . VAL   A 74  ? 0.390719 0.384149 0.366175 -0.037949   0.0427286   -0.0425979  86  VAL   A HB   
1062 H HG11 . VAL   A 74  ? 0.394394 0.404852 0.39053  -0.0178466  0.0559605   -0.0428348  86  VAL   A HG11 
1063 H HG12 . VAL   A 74  ? 0.388115 0.403654 0.376729 -0.0230135  0.0577527   -0.0324274  86  VAL   A HG12 
1064 H HG13 . VAL   A 74  ? 0.38216  0.387228 0.388694 -0.0319334  0.0479378   -0.0299525  86  VAL   A HG13 
1065 H HG21 . VAL   A 74  ? 0.419513 0.396803 0.413812 -0.0421295  0.0350751   -0.0437932  86  VAL   A HG21 
1066 H HG22 . VAL   A 74  ? 0.420755 0.396431 0.401754 -0.0437303  0.0352881   -0.055684   86  VAL   A HG22 
1067 H HG23 . VAL   A 74  ? 0.428556 0.408863 0.418794 -0.0325533  0.039176    -0.0585789  86  VAL   A HG23 
1068 N N    . ILE   A 75  ? 0.354012 0.354563 0.307293 -0.0346149  0.0398855   -0.0595667  87  ILE   A N    
1069 C CA   . ILE   A 75  ? 0.342565 0.341971 0.297047 -0.0407099  0.0365449   -0.0633919  87  ILE   A CA   
1070 C C    . ILE   A 75  ? 0.371779 0.358267 0.336174 -0.0512088  0.0351585   -0.0636459  87  ILE   A C    
1071 O O    . ILE   A 75  ? 0.375894 0.350959 0.342332 -0.0543003  0.0347437   -0.057531   87  ILE   A O    
1072 C CB   . ILE   A 75  ? 0.34342  0.341252 0.28962  -0.0402797  0.039161    -0.0546393  87  ILE   A CB   
1073 C CG1  . ILE   A 75  ? 0.366857 0.349033 0.310784 -0.0461654  0.0398419   -0.0438838  87  ILE   A CG1  
1074 C CG2  . ILE   A 75  ? 0.369396 0.378399 0.30535  -0.0292196  0.0403285   -0.0529918  87  ILE   A CG2  
1075 C CD1  . ILE   A 75  ? 0.408279 0.38062  0.340943 -0.0459086  0.0409646   -0.0385917  87  ILE   A CD1  
1076 H H    . ILE   A 75  ? 0.356361 0.358694 0.306686 -0.0324959  0.043177    -0.0517257  87  ILE   A H    
1077 H HA   . ILE   A 75  ? 0.353982 0.361683 0.30827  -0.037291   0.0336483   -0.0715234  87  ILE   A HA   
1078 H HB   . ILE   A 75  ? 0.350195 0.348441 0.298909 -0.0430431  0.0389158   -0.0571402  87  ILE   A HB   
1079 H HG12 . ILE   A 75  ? 0.368884 0.35362  0.316004 -0.0441911  0.0407298   -0.0398477  87  ILE   A HG12 
1080 H HG13 . ILE   A 75  ? 0.36935  0.343964 0.316199 -0.0516991  0.038003    -0.0444477  87  ILE   A HG13 
1081 H HG21 . ILE   A 75  ? 0.364778 0.370925 0.29678  -0.0283054  0.0414193   -0.0485315  87  ILE   A HG21 
1082 H HG22 . ILE   A 75  ? 0.366147 0.374877 0.299268 -0.0263595  0.0433255   -0.0479809  87  ILE   A HG22 
1083 H HG23 . ILE   A 75  ? 0.366479 0.385086 0.302341 -0.0252413  0.0368989   -0.0609107  87  ILE   A HG23 
1084 H HD11 . ILE   A 75  ? 0.398458 0.371599 0.328917 -0.0454089  0.0423258   -0.0423882  87  ILE   A HD11 
1085 H HD12 . ILE   A 75  ? 0.4019   0.361643 0.332053 -0.0509195  0.0385421   -0.034406   87  ILE   A HD12 
1086 H HD13 . ILE   A 75  ? 0.399332 0.376108 0.329427 -0.0406074  0.0426401   -0.0354667  87  ILE   A HD13 
1087 N N    . LYS   A 76  ? 0.391279 0.381092 0.364297 -0.0564055  0.0342547   -0.0695115  88  LYS   A N    
1088 C CA   . LYS   A 76  ? 0.345177 0.322843 0.328149 -0.0664906  0.0356511   -0.0676517  88  LYS   A CA   
1089 C C    . LYS   A 76  ? 0.36865  0.330207 0.338278 -0.0698968  0.0395406   -0.0549978  88  LYS   A C    
1090 O O    . LYS   A 76  ? 0.372216 0.318443 0.342211 -0.074132   0.0382833   -0.0502284  88  LYS   A O    
1091 C CB   . LYS   A 76  ? 0.388417 0.37764  0.389839 -0.0724823  0.0359548   -0.0737157  88  LYS   A CB   
1092 H H    . LYS   A 76  ? 0.373462 0.374406 0.347751 -0.0534901  0.0329903   -0.0736264  88  LYS   A H    
1093 H HA   . LYS   A 76  ? 0.370277 0.341502 0.357801 -0.0666439  0.0327079   -0.0711112  88  LYS   A HA   
1096 N N    . ALA   A 77  ? 0.378442 0.340107 0.333593 -0.0666794  0.0421009   -0.050206   89  ALA   A N    
1097 C CA   . ALA   A 77  ? 0.379863 0.322362 0.316064 -0.0690869  0.0423545   -0.041581   89  ALA   A CA   
1098 C C    . ALA   A 77  ? 0.411741 0.34369  0.34682  -0.070245   0.0335144   -0.0365898  89  ALA   A C    
1099 O O    . ALA   A 77  ? 0.3911   0.306037 0.313828 -0.0735445  0.0297585   -0.030361   89  ALA   A O    
1100 C CB   . ALA   A 77  ? 0.402922 0.343158 0.323967 -0.0643546  0.0443914   -0.0406075  89  ALA   A CB   
1101 H H    . ALA   A 77  ? 0.36878  0.340673 0.324184 -0.0623184  0.0426392   -0.0529377  89  ALA   A H    
1102 H HA   . ALA   A 77  ? 0.399802 0.336056 0.333603 -0.0726878  0.0466612   -0.0392252  89  ALA   A HA   
1103 H HB1  . ALA   A 77  ? 0.397502 0.344892 0.320503 -0.0622958  0.0504923   -0.0427399  89  ALA   A HB1  
1104 H HB2  . ALA   A 77  ? 0.389717 0.335913 0.314324 -0.0612722  0.0414457   -0.0412759  89  ALA   A HB2  
1105 H HB3  . ALA   A 77  ? 0.40967  0.334319 0.315341 -0.0658196  0.0424517   -0.0369569  89  ALA   A HB3  
1106 N N    . TRP   A 78  ? 0.412022 0.355648 0.360501 -0.0661943  0.0305609   -0.038477   90  TRP   A N    
1107 C CA   . TRP   A 78  ? 0.383791 0.324182 0.341074 -0.0660578  0.023795    -0.0328269  90  TRP   A CA   
1108 C C    . TRP   A 78  ? 0.414343 0.347967 0.3811   -0.0662303  0.0220494   -0.0333726  90  TRP   A C    
1109 O O    . TRP   A 78  ? 0.411858 0.335209 0.379901 -0.0672726  0.0144629   -0.0257831  90  TRP   A O    
1110 C CB   . TRP   A 78  ? 0.389779 0.347254 0.359937 -0.0599525  0.0262742   -0.0324491  90  TRP   A CB   
1111 C CG   . TRP   A 78  ? 0.398041 0.355445 0.366316 -0.0621489  0.0241722   -0.0251587  90  TRP   A CG   
1112 C CD1  . TRP   A 78  ? 0.384659 0.332362 0.336742 -0.0645359  0.0239156   -0.0247273  90  TRP   A CD1  
1113 C CD2  . TRP   A 78  ? 0.373776 0.339072 0.362104 -0.0630495  0.021014    -0.0161644  90  TRP   A CD2  
1114 N NE1  . TRP   A 78  ? 0.375146 0.320293 0.334098 -0.0679079  0.019683    -0.0171088  90  TRP   A NE1  
1115 C CE2  . TRP   A 78  ? 0.370516 0.328468 0.354414 -0.068442   0.0177237   -0.0108605  90  TRP   A CE2  
1116 C CE3  . TRP   A 78  ? 0.361623 0.340338 0.374497 -0.0591025  0.0217377   -0.0118988  90  TRP   A CE3  
1117 C CZ2  . TRP   A 78  ? 0.408289 0.3728   0.415636 -0.0732523  0.0138989   -0.00049694 90  TRP   A CZ2  
1118 C CZ3  . TRP   A 78  ? 0.381426 0.371262 0.418948 -0.0620862  0.0195893   -0.00077562 90  TRP   A CZ3  
1119 C CH2  . TRP   A 78  ? 0.374594 0.358134 0.411221 -0.0704565  0.0154369   0.00520985  90  TRP   A CH2  
1120 H H    . TRP   A 78  ? 0.394993 0.349803 0.347344 -0.0625418  0.0332825   -0.0427499  90  TRP   A H    
1121 H HA   . TRP   A 78  ? 0.404546 0.335017 0.353227 -0.0692214  0.0185751   -0.0276714  90  TRP   A HA   
1122 H HB2  . TRP   A 78  ? 0.384196 0.349856 0.353177 -0.0559473  0.0311683   -0.0384142  90  TRP   A HB2  
1123 H HB3  . TRP   A 78  ? 0.387775 0.348321 0.37004  -0.0576175  0.0249673   -0.0308866  90  TRP   A HB3  
1124 H HD1  . TRP   A 78  ? 0.387561 0.331267 0.327991 -0.0636926  0.0267672   -0.0288814  90  TRP   A HD1  
1125 H HE1  . TRP   A 78  ? 0.386603 0.322839 0.33733  -0.0695163  0.0183942   -0.0162271  90  TRP   A HE1  
1126 H HE3  . TRP   A 78  ? 0.367996 0.347965 0.383089 -0.0546146  0.0236149   -0.0161536  90  TRP   A HE3  
1127 H HZ2  . TRP   A 78  ? 0.40086  0.357261 0.406534 -0.0780714  0.0107417   0.00269273  90  TRP   A HZ2  
1128 H HZ3  . TRP   A 78  ? 0.372238 0.374198 0.430107 -0.0583384  0.0213658   0.00302784  90  TRP   A HZ3  
1129 H HH2  . TRP   A 78  ? 0.384955 0.376728 0.443379 -0.0741768  0.0135689   0.0134313   90  TRP   A HH2  
1130 N N    . ASP   A 79  ? 0.368664 0.306377 0.343198 -0.0647947  0.0267322   -0.0424582  91  ASP   A N    
1131 C CA   . ASP   A 79  ? 0.390439 0.315848 0.374604 -0.0653261  0.0250136   -0.0436638  91  ASP   A CA   
1132 C C    . ASP   A 79  ? 0.482138 0.388406 0.455002 -0.0729813  0.0244277   -0.0335184  91  ASP   A C    
1133 O O    . ASP   A 79  ? 0.471164 0.362182 0.445253 -0.0722464  0.0195184   -0.0260437  91  ASP   A O    
1134 C CB   . ASP   A 79  ? 0.458561 0.387703 0.452096 -0.0647244  0.0273777   -0.0575514  91  ASP   A CB   
1135 C CG   . ASP   A 79  ? 0.457124 0.395342 0.455427 -0.0531933  0.0272856   -0.0680426  91  ASP   A CG   
1136 O OD1  . ASP   A 79  ? 0.374753 0.315856 0.37717  -0.0456487  0.0279219   -0.0621607  91  ASP   A OD1  
1137 O OD2  . ASP   A 79  ? 0.428649 0.371823 0.426478 -0.0512492  0.0264174   -0.0819295  91  ASP   A OD2  
1138 H H    . ASP   A 79  ? 0.376444 0.323413 0.350422 -0.0634038  0.0297917   -0.0481598  91  ASP   A H    
1139 H HA   . ASP   A 79  ? 0.413436 0.339019 0.404586 -0.0604003  0.022138    -0.0413046  91  ASP   A HA   
1140 H HB2  . ASP   A 79  ? 0.435694 0.373068 0.426395 -0.0675551  0.0294923   -0.060592   91  ASP   A HB2  
1141 H HB3  . ASP   A 79  ? 0.452922 0.369053 0.451925 -0.0688149  0.0266739   -0.0571503  91  ASP   A HB3  
1142 N N    . ILE   A 80  ? 0.451787 0.358792 0.411695 -0.0780412  0.030391    -0.0320344  92  ILE   A N    
1143 C CA   . ILE   A 80  ? 0.483192 0.372027 0.425129 -0.082957   0.0338983   -0.0212431  92  ILE   A CA   
1144 C C    . ILE   A 80  ? 0.47121  0.346581 0.390006 -0.0802966  0.0241399   -0.0124794  92  ILE   A C    
1145 O O    . ILE   A 80  ? 0.468125 0.324832 0.374796 -0.0804906  0.019244    -0.00255128 92  ILE   A O    
1146 C CB   . ILE   A 80  ? 0.522304 0.418688 0.458088 -0.086104   0.0461171   -0.022325   92  ILE   A CB   
1147 C CG1  . ILE   A 80  ? 0.550352 0.459818 0.514656 -0.0916434  0.0525087   -0.0290437  92  ILE   A CG1  
1148 C CG2  . ILE   A 80  ? 0.583184 0.460262 0.489829 -0.0874332  0.0531412   -0.0101343  92  ILE   A CG2  
1149 C CD1  . ILE   A 80  ? 0.519369 0.449008 0.489229 -0.0914578  0.0615436   -0.0328402  92  ILE   A CD1  
1150 H H    . ILE   A 80  ? 0.450883 0.369836 0.412018 -0.0770791  0.0332354   -0.0373217  92  ILE   A H    
1151 H HA   . ILE   A 80  ? 0.493082 0.372566 0.442334 -0.0854     0.0346862   -0.018409   92  ILE   A HA   
1152 H HB   . ILE   A 80  ? 0.51598  0.421708 0.447778 -0.0826268  0.0451368   -0.0266452  92  ILE   A HB   
1153 H HG12 . ILE   A 80  ? 0.551411 0.449836 0.519484 -0.096775   0.0563091   -0.0228882  92  ILE   A HG12 
1154 H HG13 . ILE   A 80  ? 0.526709 0.442142 0.503629 -0.0898219  0.0463346   -0.0369358  92  ILE   A HG13 
1155 H HG21 . ILE   A 80  ? 0.575554 0.459241 0.483561 -0.0887852  0.0639267   -0.010024   92  ILE   A HG21 
1156 H HG22 . ILE   A 80  ? 0.587222 0.45159  0.49329  -0.089825   0.0525157   -0.00321483 92  ILE   A HG22 
1157 H HG23 . ILE   A 80  ? 0.579033 0.449193 0.465709 -0.083819   0.0475088   -0.00913026 92  ILE   A HG23 
1158 H HD11 . ILE   A 80  ? 0.514761 0.45228  0.47859  -0.0857471  0.0578985   -0.0374452  92  ILE   A HD11 
1159 H HD12 . ILE   A 80  ? 0.5217   0.462065 0.513858 -0.0956208  0.0622505   -0.0378968  92  ILE   A HD12 
1160 H HD13 . ILE   A 80  ? 0.538849 0.462561 0.496577 -0.0921847  0.0701521   -0.0253063  92  ILE   A HD13 
1161 N N    . GLY   A 81  ? 0.45663  0.339722 0.369077 -0.0780166  0.0192774   -0.0157906  93  GLY   A N    
1162 C CA   . GLY   A 81  ? 0.464509 0.333417 0.355213 -0.07777    0.00685622  -0.0102086  93  GLY   A CA   
1163 C C    . GLY   A 81  ? 0.47996  0.34934  0.386306 -0.0762203  -0.00860868 -0.00468903 93  GLY   A C    
1164 O O    . GLY   A 81  ? 0.480319 0.332506 0.368567 -0.0760762  -0.0204956  0.00294887  93  GLY   A O    
1165 H H    . GLY   A 81  ? 0.44049  0.336681 0.362189 -0.076824   0.0226571   -0.021707   93  GLY   A H    
1166 H HA2  . GLY   A 81  ? 0.491528 0.345416 0.359484 -0.0783587  0.00882385  -0.00605515 93  GLY   A HA2  
1167 H HA3  . GLY   A 81  ? 0.464725 0.337746 0.351821 -0.0775645  0.00622011  -0.0140476  93  GLY   A HA3  
1168 N N    . VAL   A 82  ? 0.4471   0.337175 0.386285 -0.0732953  -0.00804485 -0.00797229 94  VAL   A N    
1169 C CA   . VAL   A 82  ? 0.463357 0.35968  0.4253   -0.0698362  -0.0202444  -0.0017454  94  VAL   A CA   
1170 C C    . VAL   A 82  ? 0.489455 0.370908 0.451187 -0.066094   -0.0228445  0.00430889  94  VAL   A C    
1171 O O    . VAL   A 82  ? 0.504605 0.381918 0.472811 -0.0627965  -0.0371766  0.0129509   94  VAL   A O    
1172 C CB   . VAL   A 82  ? 0.460553 0.382846 0.455136 -0.0649768  -0.0135654  -0.00541087 94  VAL   A CB   
1173 C CG1  . VAL   A 82  ? 0.52949  0.463844 0.555617 -0.0590595  -0.0221842  0.00197844  94  VAL   A CG1  
1174 C CG2  . VAL   A 82  ? 0.452872 0.385154 0.446524 -0.0690583  -0.0116416  -0.00694703 94  VAL   A CG2  
1175 H H    . VAL   A 82  ? 0.438675 0.339561 0.385653 -0.0723819  0.00031061  -0.0136795  94  VAL   A H    
1176 H HA   . VAL   A 82  ? 0.475394 0.367349 0.430634 -0.0724631  -0.0314487  0.00193502  94  VAL   A HA   
1177 H HB   . VAL   A 82  ? 0.462238 0.386717 0.458373 -0.0619931  -0.00383211 -0.0113109  94  VAL   A HB   
1178 H HG11 . VAL   A 82  ? 0.517668 0.448094 0.542678 -0.0626036  -0.0351932  0.00787319  94  VAL   A HG11 
1179 H HG12 . VAL   A 82  ? 0.513694 0.44192  0.54306  -0.0540869  -0.020909   0.00202626  94  VAL   A HG12 
1180 H HG13 . VAL   A 82  ? 0.494856 0.446893 0.539793 -0.0560443  -0.0160042  0.0011315   94  VAL   A HG13 
1181 H HG21 . VAL   A 82  ? 0.441323 0.389878 0.454125 -0.0654436  -0.00608863 -0.00684885 94  VAL   A HG21 
1182 H HG22 . VAL   A 82  ? 0.450525 0.377709 0.427444 -0.0704723  -0.0050409  -0.0118597  94  VAL   A HG22 
1183 H HG23 . VAL   A 82  ? 0.461554 0.388259 0.452354 -0.0734191  -0.0226308  -0.00271977 94  VAL   A HG23 
1184 N N    . ALA   A 83  ? 0.475452 0.347344 0.430869 -0.0671719  -0.0104497  0.00103231  95  ALA   A N    
1185 C CA   . ALA   A 83  ? 0.500761 0.352475 0.454944 -0.06512    -0.0115666  0.00869137  95  ALA   A CA   
1186 C C    . ALA   A 83  ? 0.553983 0.382997 0.476433 -0.0661855  -0.0214271  0.0223525   95  ALA   A C    
1187 O O    . ALA   A 83  ? 0.622209 0.434968 0.5449   -0.061514   -0.0281383  0.0328683   95  ALA   A O    
1188 C CB   . ALA   A 83  ? 0.533801 0.378523 0.491601 -0.0696865  0.00318222  0.0028872   95  ALA   A CB   
1189 H H    . ALA   A 83  ? 0.469499 0.347328 0.423545 -0.0694998  -0.00163784 -0.00551855 95  ALA   A H    
1190 H HA   . ALA   A 83  ? 0.507266 0.363793 0.481239 -0.0589427  -0.0163592  0.00932471  95  ALA   A HA   
1191 H HB1  . ALA   A 83  ? 0.509231 0.365328 0.484478 -0.0673495  0.00635894  -0.00655577 95  ALA   A HB1  
1192 H HB2  . ALA   A 83  ? 0.523172 0.368402 0.467471 -0.0749455  0.00953758  0.00210064  95  ALA   A HB2  
1193 H HB3  . ALA   A 83  ? 0.542875 0.370857 0.499801 -0.0694227  0.0026901   0.00965161  95  ALA   A HB3  
1194 N N    . THR   A 84  ? 0.548522 0.373197 0.440086 -0.0702328  -0.0230327  0.0222581   96  THR   A N    
1195 C CA   . THR   A 84  ? 0.577009 0.376967 0.427164 -0.0691425  -0.032805   0.0331882   96  THR   A CA   
1196 C C    . THR   A 84  ? 0.589511 0.390888 0.438039 -0.0662639  -0.05909    0.0355758   96  THR   A C    
1197 O O    . THR   A 84  ? 0.672382 0.452258 0.481447 -0.0643682  -0.0723656  0.042278    96  THR   A O    
1198 C CB   . THR   A 84  ? 0.607833 0.398191 0.419583 -0.072345   -0.0212249  0.029973    96  THR   A CB   
1199 O OG1  . THR   A 84  ? 0.62059  0.423122 0.435263 -0.0738458  -0.0296036  0.0190281   96  THR   A OG1  
1200 C CG2  . THR   A 84  ? 0.608317 0.404188 0.429026 -0.076458   0.00401361  0.0278488   96  THR   A CG2  
1201 H H    . THR   A 84  ? 0.532639 0.368226 0.426186 -0.0726271  -0.0178284  0.0147549   96  THR   A H    
1202 H HA   . THR   A 84  ? 0.60093  0.38748  0.446826 -0.0673225  -0.030481   0.0418751   96  THR   A HA   
1203 H HB   . THR   A 84  ? 0.646829 0.417887 0.42587  -0.0699537  -0.0259458  0.0376134   96  THR   A HB   
1205 H HG21 . THR   A 84  ? 0.617153 0.407768 0.41412  -0.0766117  0.0122039   0.0273709   96  THR   A HG21 
1206 H HG22 . THR   A 84  ? 0.574424 0.388187 0.422165 -0.0780872  0.00717057  0.0192361   96  THR   A HG22 
1207 H HG23 . THR   A 84  ? 0.616674 0.403226 0.440583 -0.0769607  0.00850847  0.0358646   96  THR   A HG23 
1208 N N    . MET   A 85  ? 0.566831 0.393326 0.456952 -0.065794   -0.0673671  0.0307897   97  MET   A N    
1209 C CA   . MET   A 85  ? 0.591523 0.424644 0.48883  -0.0668176  -0.0922162  0.0321581   97  MET   A CA   
1210 C C    . MET   A 85  ? 0.583644 0.424433 0.510912 -0.0591436  -0.109579   0.0429204   97  MET   A C    
1211 O O    . MET   A 85  ? 0.542286 0.394298 0.501686 -0.0527199  -0.0987118  0.0446413   97  MET   A O    
1212 C CB   . MET   A 85  ? 0.530597 0.389165 0.459175 -0.0725684  -0.0891209  0.0230077   97  MET   A CB   
1213 C CG   . MET   A 85  ? 0.539438 0.38916  0.439265 -0.0782249  -0.0766135  0.0131293   97  MET   A CG   
1214 S SD   . MET   A 85  ? 0.523765 0.399265 0.460126 -0.0838104  -0.072208   0.00673343  97  MET   A SD   
1215 C CE   . MET   A 85  ? 0.512597 0.386812 0.462238 -0.0909242  -0.104805   0.0107748   97  MET   A CE   
1216 H H    . MET   A 85  ? 0.545458 0.385562 0.460868 -0.0649304  -0.057401   0.0268332   97  MET   A H    
1217 H HA   . MET   A 85  ? 0.608725 0.423607 0.47058  -0.068335   -0.100807   0.0327919   97  MET   A HA   
1218 H HB2  . MET   A 85  ? 0.51541  0.390823 0.472987 -0.0696795  -0.0783877  0.0221335   97  MET   A HB2  
1219 H HB3  . MET   A 85  ? 0.545427 0.409908 0.486718 -0.074612   -0.106358   0.025234    97  MET   A HB3  
1220 H HG2  . MET   A 85  ? 0.567484 0.398804 0.436249 -0.0797516  -0.0864989  0.0126312   97  MET   A HG2  
1221 H HG3  . MET   A 85  ? 0.533635 0.380475 0.424808 -0.0765529  -0.0605456  0.0113995   97  MET   A HG3  
1222 H HE1  . MET   A 85  ? 0.5079   0.394369 0.480323 -0.0957072  -0.103887   0.00977514  97  MET   A HE1  
1223 H HE2  . MET   A 85  ? 0.521798 0.405224 0.491378 -0.0879532  -0.113803   0.0172135   97  MET   A HE2  
1224 H HE3  . MET   A 85  ? 0.548555 0.400323 0.463592 -0.0927334  -0.114956   0.00767347  97  MET   A HE3  
1225 N N    . LYS   A 86  ? 0.649942 0.486806 0.570597 -0.0591378  -0.138485   0.0484038   98  LYS   A N    
1226 C CA   . LYS   A 86  ? 0.667778 0.518782 0.62493  -0.0513885  -0.160431   0.0590824   98  LYS   A CA   
1227 C C    . LYS   A 86  ? 0.611904 0.500876 0.628667 -0.0555716  -0.170849   0.0569691   98  LYS   A C    
1228 O O    . LYS   A 86  ? 0.60743  0.503846 0.626939 -0.0665583  -0.168896   0.0483748   98  LYS   A O    
1229 C CB   . LYS   A 86  ? 0.78089  0.605139 0.692979 -0.0488425  -0.189579   0.067064    98  LYS   A CB   
1230 C CG   . LYS   A 86  ? 0.901843 0.687978 0.750724 -0.0451657  -0.175339   0.0720704   98  LYS   A CG   
1231 C CD   . LYS   A 86  ? 1.04129  0.796668 0.832091 -0.0402312  -0.201644   0.0805496   98  LYS   A CD   
1232 C CE   . LYS   A 86  ? 1.11583  0.836323 0.848401 -0.035721   -0.181017   0.0893956   98  LYS   A CE   
1233 N NZ   . LYS   A 86  ? 1.35294  1.04548  1.03371  -0.0263345  -0.208256   0.102195    98  LYS   A NZ   
1234 H H    . LYS   A 86  ? 0.661201 0.486196 0.553755 -0.0637719  -0.146111   0.0446879   98  LYS   A H    
1235 H HA   . LYS   A 86  ? 0.663746 0.515296 0.634411 -0.0440159  -0.14983    0.0635402   98  LYS   A HA   
1236 H HB2  . LYS   A 86  ? 0.792843 0.615904 0.693855 -0.0557451  -0.203237   0.0610534   98  LYS   A HB2  
1237 H HB3  . LYS   A 86  ? 0.79328  0.625661 0.728084 -0.0420484  -0.204984   0.0756444   98  LYS   A HB3  
1238 H HG2  . LYS   A 86  ? 0.890017 0.675149 0.752444 -0.0395437  -0.163471   0.0784373   98  LYS   A HG2  
1239 H HG3  . LYS   A 86  ? 0.883048 0.664682 0.714744 -0.051009   -0.158707   0.0638427   98  LYS   A HG3  
1240 H HD2  . LYS   A 86  ? 1.04318  0.795518 0.816312 -0.0458027  -0.213894   0.0720406   98  LYS   A HD2  
1241 H HD3  . LYS   A 86  ? 1.04553  0.806591 0.854583 -0.0338791  -0.220712   0.0891583   98  LYS   A HD3  
1242 H HE2  . LYS   A 86  ? 1.12566  0.848152 0.87875  -0.033084   -0.165129   0.095501    98  LYS   A HE2  
1243 H HE3  . LYS   A 86  ? 1.14051  0.853986 0.84831  -0.0409026  -0.166717   0.0813551   98  LYS   A HE3  
1244 H HZ1  . LYS   A 86  ? 1.29441  0.993026 0.998707 -0.0202766  -0.220822   0.111106    98  LYS   A HZ1  
1245 H HZ2  . LYS   A 86  ? 1.30989  1.00042  0.973611 -0.0287925  -0.226429   0.0948787   98  LYS   A HZ2  
1246 H HZ3  . LYS   A 86  ? 1.32197  0.991947 0.9626   -0.0234092  -0.194951   0.108973    98  LYS   A HZ3  
1247 N N    . LYS   A 87  ? 0.634543 0.547914 0.702602 -0.0457927  -0.178662   0.0662383   99  LYS   A N    
1248 C CA   . LYS   A 87  ? 0.605043 0.559913 0.739318 -0.0480872  -0.186944   0.0687882   99  LYS   A CA   
1249 C C    . LYS   A 87  ? 0.640695 0.593123 0.76808  -0.061884   -0.218969   0.0672248   99  LYS   A C    
1250 O O    . LYS   A 87  ? 0.671539 0.603521 0.768425 -0.0599028  -0.247805   0.0713119   99  LYS   A O    
1251 C CB   . LYS   A 87  ? 0.574368 0.556009 0.764808 -0.0330224  -0.195942   0.0811604   99  LYS   A CB   
1252 H H    . LYS   A 87  ? 0.637373 0.541114 0.700467 -0.0367348  -0.177686   0.0721757   99  LYS   A H    
1253 H HA   . LYS   A 87  ? 0.576281 0.544211 0.725289 -0.0510213  -0.166497   0.0633113   99  LYS   A HA   
1256 N N    . GLY   A 88  ? 0.654974 0.623721 0.805864 -0.0754853  -0.214143   0.0609923   100 GLY   A N    
1257 C CA   . GLY   A 88  ? 0.655579 0.618791 0.804772 -0.090878   -0.245172   0.0570926   100 GLY   A CA   
1258 C C    . GLY   A 88  ? 0.650094 0.572298 0.729963 -0.099743   -0.24265    0.0432197   100 GLY   A C    
1259 O O    . GLY   A 88  ? 0.624257 0.536678 0.700494 -0.113369   -0.264072   0.0362243   100 GLY   A O    
1260 H H    . GLY   A 88  ? 0.613672 0.595386 0.78122  -0.0751344  -0.191445   0.0590632   100 GLY   A H    
1261 H HA2  . GLY   A 88  ? 0.636273 0.626153 0.833892 -0.0977328  -0.243449   0.0594611   100 GLY   A HA2  
1262 H HA3  . GLY   A 88  ? 0.681148 0.641599 0.82981  -0.0883044  -0.27142    0.0615983   100 GLY   A HA3  
1263 N N    . GLU   A 89  ? 0.617099 0.514686 0.644692 -0.0919801  -0.217362   0.03898     101 GLU   A N    
1264 C CA   . GLU   A 89  ? 0.671294 0.531651 0.632971 -0.0963968  -0.212124   0.0271419   101 GLU   A CA   
1265 C C    . GLU   A 89  ? 0.636643 0.50405  0.61423  -0.106712   -0.195576   0.0186698   101 GLU   A C    
1266 O O    . GLU   A 89  ? 0.60192  0.498532 0.624183 -0.10661    -0.173426   0.0222242   101 GLU   A O    
1267 C CB   . GLU   A 89  ? 0.709981 0.549728 0.624773 -0.0856383  -0.187123   0.0282235   101 GLU   A CB   
1268 C CG   . GLU   A 89  ? 0.683944 0.48713  0.529224 -0.0862959  -0.17802    0.0185897   101 GLU   A CG   
1269 C CD   . GLU   A 89  ? 0.721377 0.512435 0.535909 -0.0781577  -0.149464   0.0222614   101 GLU   A CD   
1270 O OE1  . GLU   A 89  ? 0.722539 0.511117 0.537445 -0.0708467  -0.152731   0.0337372   101 GLU   A OE1  
1271 O OE2  . GLU   A 89  ? 0.760923 0.544546 0.553654 -0.0788969  -0.125351   0.0151459   101 GLU   A OE2  
1272 H H    . GLU   A 89  ? 0.617886 0.522382 0.653169 -0.0834948  -0.202639   0.0435414   101 GLU   A H    
1273 H HA   . GLU   A 89  ? 0.705345 0.547694 0.641758 -0.0990279  -0.236592   0.024593    101 GLU   A HA   
1274 H HB2  . GLU   A 89  ? 0.705828 0.540825 0.614193 -0.0789716  -0.196917   0.0358502   101 GLU   A HB2  
1275 H HB3  . GLU   A 89  ? 0.655281 0.511178 0.593994 -0.083678   -0.165519   0.0287933   101 GLU   A HB3  
1276 H HG2  . GLU   A 89  ? 0.690826 0.496762 0.542022 -0.0920358  -0.170598   0.0110608   101 GLU   A HG2  
1277 H HG3  . GLU   A 89  ? 0.743681 0.527013 0.557242 -0.0861694  -0.198773   0.0173295   101 GLU   A HG3  
1278 N N    . ILE   A 90  ? 0.662085 0.497962 0.59596  -0.113583   -0.206131   0.0072984   102 ILE   A N    
1279 C CA   . ILE   A 90  ? 0.648322 0.478303 0.579677 -0.12004    -0.188708   -0.00110821 102 ILE   A CA   
1280 C C    . ILE   A 90  ? 0.637421 0.432919 0.499463 -0.112515   -0.173034   -0.0107582  102 ILE   A C    
1281 O O    . ILE   A 90  ? 0.674338 0.438061 0.483289 -0.109283   -0.189159   -0.016184   102 ILE   A O    
1282 C CB   . ILE   A 90  ? 0.667997 0.491153 0.620466 -0.135347   -0.212779   -0.00634254 102 ILE   A CB   
1283 C CG1  . ILE   A 90  ? 0.699414 0.564184 0.731856 -0.143704   -0.224668   0.00623786  102 ILE   A CG1  
1284 C CG2  . ILE   A 90  ? 0.671375 0.482911 0.615563 -0.138898   -0.190934   -0.0132204  102 ILE   A CG2  
1285 C CD1  . ILE   A 90  ? 0.719367 0.581947 0.786841 -0.162222   -0.253984   0.00418867  102 ILE   A CD1  
1286 H H    . ILE   A 90  ? 0.699652 0.514999 0.601879 -0.112985   -0.225455   0.00458988  102 ILE   A H    
1287 H HA   . ILE   A 90  ? 0.60634  0.459342 0.568683 -0.11849    -0.169054   0.00354256  102 ILE   A HA   
1288 H HB   . ILE   A 90  ? 0.720091 0.518101 0.639153 -0.136711   -0.234848   -0.013022   102 ILE   A HB   
1289 H HG12 . ILE   A 90  ? 0.649912 0.537274 0.710817 -0.141429   -0.201221   0.012184    102 ILE   A HG12 
1290 H HG13 . ILE   A 90  ? 0.688592 0.5626   0.726842 -0.138303   -0.235338   0.0114589   102 ILE   A HG13 
1291 H HG21 . ILE   A 90  ? 0.679287 0.48697  0.643502 -0.149547   -0.204537   -0.0147661  102 ILE   A HG21 
1292 H HG22 . ILE   A 90  ? 0.631986 0.465797 0.59968  -0.135423   -0.16855    -0.00717651 102 ILE   A HG22 
1293 H HG23 . ILE   A 90  ? 0.687404 0.4725   0.582953 -0.13332    -0.185994   -0.021682   102 ILE   A HG23 
1294 H HD11 . ILE   A 90  ? 0.759133 0.598643 0.79763  -0.16436    -0.280421   -0.00313901 102 ILE   A HD11 
1295 H HD12 . ILE   A 90  ? 0.703816 0.598767 0.827862 -0.166446   -0.257369   0.014597    102 ILE   A HD12 
1296 H HD13 . ILE   A 90  ? 0.718962 0.570335 0.782388 -0.167602   -0.24335    0.00010221  102 ILE   A HD13 
1297 N N    . ALA   A 91  ? 0.612968 0.416228 0.476407 -0.108879   -0.141575   -0.012589   103 ALA   A N    
1298 C CA   . ALA   A 91  ? 0.624331 0.403959 0.434725 -0.100915   -0.12226    -0.0198279  103 ALA   A CA   
1299 C C    . ALA   A 91  ? 0.597568 0.377302 0.413463 -0.102187   -0.10482    -0.0264416  103 ALA   A C    
1300 O O    . ALA   A 91  ? 0.579416 0.383784 0.441932 -0.107188   -0.0987603  -0.021963   103 ALA   A O    
1301 C CB   . ALA   A 91  ? 0.636904 0.42992  0.446825 -0.0925045  -0.100454   -0.0126496  103 ALA   A CB   
1302 H H    . ALA   A 91  ? 0.580525 0.40612  0.480545 -0.110847   -0.131817   -0.00870871 103 ALA   A H    
1303 H HA   . ALA   A 91  ? 0.667888 0.421436 0.438893 -0.0995545  -0.135066   -0.0247262  103 ALA   A HA   
1304 H HB1  . ALA   A 91  ? 0.639903 0.430123 0.445312 -0.0907809  -0.111292   -0.00714751 103 ALA   A HB1  
1305 H HB2  . ALA   A 91  ? 0.592432 0.408411 0.436978 -0.0930295  -0.0894747  -0.0098697  103 ALA   A HB2  
1306 H HB3  . ALA   A 91  ? 0.636395 0.41696  0.416323 -0.0880266  -0.0868645  -0.0161066  103 ALA   A HB3  
1307 N N    . HIS   A 92  ? 0.583659 0.335367 0.349553 -0.0954336  -0.0953638  -0.0356223  104 HIS   A N    
1308 C CA   . HIS   A 92  ? 0.600162 0.350033 0.364925 -0.0918704  -0.0760029  -0.0412528  104 HIS   A CA   
1309 C C    . HIS   A 92  ? 0.585193 0.349908 0.342544 -0.08185    -0.0475345  -0.0389861  104 HIS   A C    
1310 O O    . HIS   A 92  ? 0.625633 0.380387 0.35155  -0.0763851  -0.0423899  -0.037717   104 HIS   A O    
1311 C CB   . HIS   A 92  ? 0.656016 0.363307 0.373826 -0.089438   -0.0858205  -0.0543609  104 HIS   A CB   
1312 C CG   . HIS   A 92  ? 0.650173 0.341002 0.383096 -0.101812   -0.113124   -0.0587     104 HIS   A CG   
1313 N ND1  . HIS   A 92  ? 0.712859 0.359905 0.407154 -0.102061   -0.128698   -0.0728607  104 HIS   A ND1  
1314 C CD2  . HIS   A 92  ? 0.632323 0.346636 0.4216   -0.114881   -0.124971   -0.0500325  104 HIS   A CD2  
1315 C CE1  . HIS   A 92  ? 0.743651 0.386396 0.472055 -0.117417   -0.152575   -0.0729131  104 HIS   A CE1  
1316 N NE2  . HIS   A 92  ? 0.652447 0.338846 0.441468 -0.125563   -0.14941    -0.0575275  104 HIS   A NE2  
1317 H H    . HIS   A 92  ? 0.63007  0.36331  0.360817 -0.0915852  -0.100645   -0.037812   104 HIS   A H    
1318 H HA   . HIS   A 92  ? 0.5723   0.338619 0.372302 -0.0968489  -0.0752125  -0.0376882  104 HIS   A HA   
1319 H HB2  . HIS   A 92  ? 0.67876  0.369019 0.359493 -0.0845502  -0.0894604  -0.0572508  104 HIS   A HB2  
1320 H HB3  . HIS   A 92  ? 0.644786 0.349807 0.355907 -0.0832304  -0.0695447  -0.0575786  104 HIS   A HB3  
1322 H HD2  . HIS   A 92  ? 0.592363 0.336199 0.415412 -0.116357   -0.118124   -0.0406588  104 HIS   A HD2  
1323 H HE1  . HIS   A 92  ? 0.765975 0.379099 0.478789 -0.12174    -0.168947   -0.0824297  104 HIS   A HE1  
1325 N N    . LEU   A 93  ? 0.550113 0.338829 0.337459 -0.0799412  -0.0302836  -0.0372947  105 LEU   A N    
1326 C CA   . LEU   A 93  ? 0.540365 0.344408 0.32666  -0.0719897  -0.00692982 -0.0369802  105 LEU   A CA   
1327 C C    . LEU   A 93  ? 0.55196  0.353607 0.334911 -0.0649993  0.0048902   -0.0424245  105 LEU   A C    
1328 O O    . LEU   A 93  ? 0.528491 0.333843 0.33142  -0.0672158  0.00106024  -0.0416209  105 LEU   A O    
1329 C CB   . LEU   A 93  ? 0.484595 0.322073 0.310992 -0.074162   -0.00012667 -0.0309209  105 LEU   A CB   
1330 C CG   . LEU   A 93  ? 0.49886  0.342708 0.338803 -0.0785384  -0.00951314 -0.0245296  105 LEU   A CG   
1331 C CD1  . LEU   A 93  ? 0.542675 0.416108 0.420203 -0.0777157  -0.00043775 -0.022609   105 LEU   A CD1  
1332 C CD2  . LEU   A 93  ? 0.532962 0.360803 0.342919 -0.076306   -0.00636426 -0.0217825  105 LEU   A CD2  
1333 H H    . LEU   A 93  ? 0.538694 0.334891 0.348609 -0.083867   -0.0338846  -0.0358104  105 LEU   A H    
1334 H HA   . LEU   A 93  ? 0.557562 0.350521 0.318934 -0.0688652  -0.00343181 -0.0372304  105 LEU   A HA   
1335 H HB2  . LEU   A 93  ? 0.477301 0.325484 0.323645 -0.0752742  -0.00069615 -0.0303504  105 LEU   A HB2  
1336 H HB3  . LEU   A 93  ? 0.484191 0.330592 0.310883 -0.0701085  0.0130801   -0.0319211  105 LEU   A HB3  
1337 H HG   . LEU   A 93  ? 0.517518 0.356027 0.361779 -0.0825533  -0.0237702  -0.0229882  105 LEU   A HG   
1338 H HD11 . LEU   A 93  ? 0.504822 0.387664 0.397943 -0.0781767  -0.00147009 -0.0224979  105 LEU   A HD11 
1339 H HD12 . LEU   A 93  ? 0.515306 0.391295 0.401975 -0.0788655  -0.00522333 -0.018958   105 LEU   A HD12 
1340 H HD13 . LEU   A 93  ? 0.510317 0.389569 0.386341 -0.0749264  0.0109257   -0.0251415  105 LEU   A HD13 
1341 H HD21 . LEU   A 93  ? 0.55903  0.366528 0.339837 -0.0751465  -0.0122657  -0.0238751  105 LEU   A HD21 
1342 H HD22 . LEU   A 93  ? 0.523595 0.35819  0.333952 -0.0736843  0.00817045  -0.0223872  105 LEU   A HD22 
1343 H HD23 . LEU   A 93  ? 0.52853  0.359061 0.347943 -0.0781318  -0.0128248  -0.0167523  105 LEU   A HD23 
1344 N N    . LEU   A 94  ? 0.528085 0.326169 0.289445 -0.0555929  0.0213309   -0.0456176  106 LEU   A N    
1345 C CA   . LEU   A 94  ? 0.51453  0.319868 0.279967 -0.0454628  0.0365085   -0.0489733  106 LEU   A CA   
1346 C C    . LEU   A 94  ? 0.483421 0.322949 0.274222 -0.0427044  0.05323     -0.0452521  106 LEU   A C    
1347 O O    . LEU   A 94  ? 0.500023 0.342916 0.28441  -0.0438657  0.0616415   -0.0421329  106 LEU   A O    
1348 C CB   . LEU   A 94  ? 0.568712 0.341223 0.290002 -0.0349005  0.0418936   -0.056755   106 LEU   A CB   
1349 C CG   . LEU   A 94  ? 0.587798 0.359661 0.309248 -0.0208775  0.0556407   -0.0612114  106 LEU   A CG   
1350 C CD1  . LEU   A 94  ? 0.605564 0.369902 0.343573 -0.0231675  0.0441094   -0.0613285  106 LEU   A CD1  
1351 C CD2  . LEU   A 94  ? 0.679767 0.418032 0.352931 -0.00771396 0.0642899   -0.0698125  106 LEU   A CD2  
1352 H H    . LEU   A 94  ? 0.549144 0.340693 0.293069 -0.0547139  0.0237809   -0.0446156  106 LEU   A H    
1353 H HA   . LEU   A 94  ? 0.507422 0.315682 0.288001 -0.0467747  0.031595    -0.0485185  106 LEU   A HA   
1354 H HB2  . LEU   A 94  ? 0.593113 0.341246 0.296599 -0.0386239  0.0275993   -0.0604115  106 LEU   A HB2  
1355 H HB3  . LEU   A 94  ? 0.581896 0.354079 0.288    -0.0324636  0.0501058   -0.0554103  106 LEU   A HB3  
1356 H HG   . LEU   A 94  ? 0.573062 0.372234 0.316281 -0.0177102  0.0675894   -0.0575315  106 LEU   A HG   
1357 H HD11 . LEU   A 94  ? 0.565945 0.353792 0.332145 -0.0288599  0.0422876   -0.0553187  106 LEU   A HD11 
1358 H HD12 . LEU   A 94  ? 0.60802  0.368035 0.342926 -0.0126787  0.0521395   -0.0637474  106 LEU   A HD12 
1359 H HD13 . LEU   A 94  ? 0.619261 0.358918 0.342824 -0.0289644  0.030703    -0.064423   106 LEU   A HD13 
1360 H HD21 . LEU   A 94  ? 0.672854 0.418395 0.336901 -0.00561618 0.0749364   -0.0671421  106 LEU   A HD21 
1361 H HD22 . LEU   A 94  ? 0.695835 0.405095 0.344679 -0.0111056  0.0502394   -0.0750798  106 LEU   A HD22 
1362 H HD23 . LEU   A 94  ? 0.674107 0.411663 0.349086 0.00283141  0.0733719   -0.0726112  106 LEU   A HD23 
1363 N N    . ILE   A 95  ? 0.467745 0.33037  0.286241 -0.0390297  0.057076    -0.0450726  107 ILE   A N    
1364 C CA   . ILE   A 95  ? 0.468393 0.365387 0.318516 -0.0396581  0.064131    -0.0433628  107 ILE   A CA   
1365 C C    . ILE   A 95  ? 0.46297  0.378369 0.32616  -0.0280561  0.0742547   -0.0453548  107 ILE   A C    
1366 O O    . ILE   A 95  ? 0.43097  0.34547  0.296218 -0.0215331  0.0702299   -0.0454007  107 ILE   A O    
1367 C CB   . ILE   A 95  ? 0.43104  0.3426   0.303716 -0.0462974  0.0536108   -0.0413567  107 ILE   A CB   
1368 C CG1  . ILE   A 95  ? 0.411293 0.309067 0.278626 -0.0557016  0.042993    -0.0382862  107 ILE   A CG1  
1369 C CG2  . ILE   A 95  ? 0.442345 0.383999 0.342032 -0.046327   0.0577543   -0.0433533  107 ILE   A CG2  
1370 C CD1  . ILE   A 95  ? 0.411996 0.320476 0.29949  -0.0592087  0.0346701   -0.0350995  107 ILE   A CD1  
1371 H H    . ILE   A 95  ? 0.476922 0.331699 0.293115 -0.0358154  0.0539395   -0.0462519  107 ILE   A H    
1372 H HA   . ILE   A 95  ? 0.462465 0.361665 0.311815 -0.0428167  0.0689747   -0.0419783  107 ILE   A HA   
1373 H HB   . ILE   A 95  ? 0.433836 0.343715 0.307166 -0.0430747  0.0507388   -0.0407244  107 ILE   A HB   
1374 H HG12 . ILE   A 95  ? 0.419251 0.320457 0.28915  -0.0586624  0.0454094   -0.0375432  107 ILE   A HG12 
1375 H HG13 . ILE   A 95  ? 0.440777 0.318195 0.288675 -0.0560794  0.0390174   -0.0384935  107 ILE   A HG13 
1376 H HG21 . ILE   A 95  ? 0.419876 0.367023 0.32865  -0.0498621  0.0521566   -0.0431641  107 ILE   A HG21 
1377 H HG22 . ILE   A 95  ? 0.434464 0.378077 0.336231 -0.0489323  0.0631636   -0.0433159  107 ILE   A HG22 
1378 H HG23 . ILE   A 95  ? 0.42781  0.380693 0.333927 -0.0398362  0.0601524   -0.0448282  107 ILE   A HG23 
1379 H HD11 . ILE   A 95  ? 0.41049  0.314556 0.296376 -0.057246   0.0331752   -0.0337782  107 ILE   A HD11 
1380 H HD12 . ILE   A 95  ? 0.409749 0.311582 0.297487 -0.0643679  0.0278      -0.0326986  107 ILE   A HD12 
1381 H HD13 . ILE   A 95  ? 0.391797 0.317749 0.29359  -0.0575842  0.0380036   -0.0363609  107 ILE   A HD13 
1382 N N    . LYS   A 96  ? 0.453607 0.38895  0.331351 -0.0260918  0.0870212   -0.045043   108 LYS   A N    
1383 C CA   . LYS   A 96  ? 0.43772  0.400738 0.340347 -0.0159356  0.094257    -0.0461662  108 LYS   A CA   
1384 C C    . LYS   A 96  ? 0.417219 0.407156 0.348403 -0.0187382  0.08252     -0.0478207  108 LYS   A C    
1385 O O    . LYS   A 96  ? 0.38404  0.376441 0.321638 -0.0293199  0.0744126   -0.0487287  108 LYS   A O    
1386 C CB   . LYS   A 96  ? 0.453812 0.4334   0.370467 -0.0142727  0.112313    -0.0436568  108 LYS   A CB   
1387 H H    . LYS   A 96  ? 0.458534 0.390873 0.332689 -0.0313416  0.0909213   -0.0430957  108 LYS   A H    
1388 H HA   . LYS   A 96  ? 0.455347 0.406994 0.345363 -0.00654325 0.0952964   -0.0471     108 LYS   A HA   
1391 N N    . PRO   A 97  ? 0.432626 0.443035 0.379751 -0.00710714 0.0812103   -0.0487003  109 PRO   A N    
1392 C CA   . PRO   A 97  ? 0.440277 0.471966 0.403537 -0.00646734 0.0681234   -0.050942   109 PRO   A CA   
1393 C C    . PRO   A 97  ? 0.426896 0.48016  0.415643 -0.0180938  0.0625741   -0.0562146  109 PRO   A C    
1394 O O    . PRO   A 97  ? 0.386322 0.443532 0.374297 -0.0204796  0.0509865   -0.0601624  109 PRO   A O    
1395 C CB   . PRO   A 97  ? 0.464156 0.51563  0.440887 0.0100074   0.0678077   -0.0499752  109 PRO   A CB   
1396 C CG   . PRO   A 97  ? 0.456203 0.490644 0.420681 0.0198562   0.0825038   -0.0471855  109 PRO   A CG   
1397 C CD   . PRO   A 97  ? 0.487433 0.497274 0.432062 0.0087695   0.091664    -0.0475018  109 PRO   A CD   
1398 H HA   . PRO   A 97  ? 0.43924  0.457091 0.387197 -0.0072273  0.0627295   -0.0493444  109 PRO   A HA   
1399 H HB2  . PRO   A 97  ? 0.44594  0.523128 0.447878 0.00919714  0.0653302   -0.0527645  109 PRO   A HB2  
1400 H HB3  . PRO   A 97  ? 0.455506 0.503544 0.422867 0.0157054   0.0605595   -0.0481747  109 PRO   A HB3  
1401 H HG2  . PRO   A 97  ? 0.468523 0.523856 0.453748 0.026602    0.0879081   -0.0472503  109 PRO   A HG2  
1402 H HG3  . PRO   A 97  ? 0.478819 0.496228 0.426626 0.0277489   0.0805851   -0.044929   109 PRO   A HG3  
1403 H HD2  . PRO   A 97  ? 0.476737 0.497064 0.432274 0.00918963  0.102213    -0.0471511  109 PRO   A HD2  
1404 H HD3  . PRO   A 97  ? 0.488787 0.471913 0.408392 0.0122604   0.0930856   -0.0470329  109 PRO   A HD3  
1405 N N    . GLU   A 98  ? 0.385001 0.449009 0.394686 -0.0251714  0.072047    -0.055873   110 GLU   A N    
1406 C CA   . GLU   A 98  ? 0.395459 0.476493 0.434259 -0.038016   0.0661107   -0.060706   110 GLU   A CA   
1407 C C    . GLU   A 98  ? 0.387645 0.446221 0.410113 -0.0483935  0.0597485   -0.0627525  110 GLU   A C    
1408 O O    . GLU   A 98  ? 0.32862  0.394987 0.368179 -0.055991   0.0498333   -0.0700607  110 GLU   A O    
1409 C CB   . GLU   A 98  ? 0.425871 0.52058  0.492707 -0.0448026  0.0813876   -0.0556488  110 GLU   A CB   
1410 C CG   . GLU   A 98  ? 0.477882 0.603379 0.571821 -0.0327715  0.0874904   -0.05397    110 GLU   A CG   
1411 C CD   . GLU   A 98  ? 0.542916 0.654081 0.608958 -0.0151943  0.100977    -0.0488533  110 GLU   A CD   
1412 O OE1  . GLU   A 98  ? 0.49005  0.56573  0.515265 -0.014598   0.108384    -0.0461425  110 GLU   A OE1  
1413 O OE2  . GLU   A 98  ? 0.621311 0.755514 0.706542 -0.00081434 0.102069    -0.0484543  110 GLU   A OE2  
1414 H H    . GLU   A 98  ? 0.409513 0.468222 0.414486 -0.0219316  0.0829735   -0.0522766  110 GLU   A H    
1415 H HA   . GLU   A 98  ? 0.391247 0.490818 0.444762 -0.0347279  0.0558063   -0.0658197  110 GLU   A HA   
1416 H HB2  . GLU   A 98  ? 0.439862 0.515258 0.486851 -0.0459193  0.0921345   -0.0501427  110 GLU   A HB2  
1417 H HB3  . GLU   A 98  ? 0.427064 0.529432 0.514805 -0.0554247  0.0767851   -0.0583259  110 GLU   A HB3  
1418 H HG2  . GLU   A 98  ? 0.477714 0.619375 0.599919 -0.0391194  0.0957584   -0.0509694  110 GLU   A HG2  
1419 H HG3  . GLU   A 98  ? 0.468847 0.610429 0.575317 -0.0293237  0.0737788   -0.0593694  110 GLU   A HG3  
1420 N N    . TYR   A 99  ? 0.367806 0.398211 0.359461 -0.048271   0.0643444   -0.0570864  111 TYR   A N    
1421 C CA   . TYR   A 99  ? 0.367733 0.380203 0.348527 -0.0557234  0.058251    -0.0573782  111 TYR   A CA   
1422 C C    . TYR   A 99  ? 0.342351 0.347681 0.305573 -0.0491557  0.0504985   -0.0576073  111 TYR   A C    
1423 O O    . TYR   A 99  ? 0.402444 0.395179 0.358648 -0.0529239  0.0469109   -0.0561586  111 TYR   A O    
1424 C CB   . TYR   A 99  ? 0.360681 0.34942  0.324507 -0.0616225  0.0659641   -0.0496019  111 TYR   A CB   
1425 C CG   . TYR   A 99  ? 0.413572 0.407497 0.39432  -0.0692419  0.0771344   -0.0455328  111 TYR   A CG   
1426 C CD1  . TYR   A 99  ? 0.43092  0.435454 0.416578 -0.0648119  0.0916575   -0.0414457  111 TYR   A CD1  
1427 C CD2  . TYR   A 99  ? 0.44575  0.432492 0.438776 -0.0801961  0.0752825   -0.0439762  111 TYR   A CD2  
1428 C CE1  . TYR   A 99  ? 0.447363 0.458742 0.45155  -0.0721732  0.105955    -0.0342307  111 TYR   A CE1  
1429 C CE2  . TYR   A 99  ? 0.45416  0.443427 0.464779 -0.0887624  0.0873603   -0.036835   111 TYR   A CE2  
1430 C CZ   . TYR   A 99  ? 0.480353 0.484008 0.498097 -0.0854639  0.103637    -0.0311347  111 TYR   A CZ   
1431 O OH   . TYR   A 99  ? 0.457517 0.466858 0.498127 -0.0949068  0.118418    -0.0214516  111 TYR   A OH   
1432 H H    . TYR   A 99  ? 0.381827 0.404053 0.360203 -0.0430509  0.0705932   -0.0533651  111 TYR   A H    
1433 H HA   . TYR   A 99  ? 0.357392 0.377869 0.354623 -0.0609086  0.0538512   -0.0621065  111 TYR   A HA   
1434 H HB2  . TYR   A 99  ? 0.382558 0.361608 0.328655 -0.0565232  0.0693102   -0.0467906  111 TYR   A HB2  
1435 H HB3  . TYR   A 99  ? 0.373771 0.351738 0.331948 -0.0650136  0.0603474   -0.0491523  111 TYR   A HB3  
1436 H HD1  . TYR   A 99  ? 0.431329 0.438121 0.408348 -0.0560328  0.0932463   -0.0426253  111 TYR   A HD1  
1437 H HD2  . TYR   A 99  ? 0.433334 0.412787 0.42385  -0.0814489  0.066624    -0.0469736  111 TYR   A HD2  
1438 H HE1  . TYR   A 99  ? 0.459812 0.481482 0.469814 -0.0678427  0.117927    -0.0308392  111 TYR   A HE1  
1439 H HE2  . TYR   A 99  ? 0.463328 0.444932 0.483073 -0.0964016  0.0856124   -0.0351755  111 TYR   A HE2  
1441 N N    . ALA   A 100 ? 0.365238 0.381058 0.325679 -0.0389555  0.0486446   -0.0580321  112 ALA   A N    
1442 C CA   . ALA   A 100 ? 0.380438 0.391821 0.326653 -0.0324248  0.0442177   -0.0551711  112 ALA   A CA   
1443 C C    . ALA   A 100 ? 0.372748 0.405613 0.323507 -0.0231667  0.0371187   -0.0606809  112 ALA   A C    
1444 O O    . ALA   A 100 ? 0.353358 0.394295 0.310137 -0.0254383  0.0307864   -0.0691922  112 ALA   A O    
1445 C CB   . ALA   A 100 ? 0.364126 0.357554 0.294035 -0.0283033  0.0484599   -0.0472189  112 ALA   A CB   
1446 H H    . ALA   A 100 ? 0.364283 0.390944 0.332903 -0.0352719  0.0509261   -0.0588087  112 ALA   A H    
1447 H HA   . ALA   A 100 ? 0.368696 0.373426 0.313099 -0.0369177  0.0426906   -0.0548729  112 ALA   A HA   
1448 H HB1  . ALA   A 100 ? 0.374533 0.352975 0.298217 -0.0343744  0.0495206   -0.0451621  112 ALA   A HB1  
1449 H HB2  . ALA   A 100 ? 0.375966 0.372895 0.307371 -0.023437   0.051648    -0.0477176  112 ALA   A HB2  
1450 H HB3  . ALA   A 100 ? 0.374078 0.3662   0.298135 -0.0240024  0.0467125   -0.0435028  112 ALA   A HB3  
1451 N N    . TYR   A 101 ? 0.356193 0.394844 0.300762 -0.0115147  0.036747    -0.0563378  113 TYR   A N    
1452 C CA   . TYR   A 101 ? 0.37068  0.426635 0.311176 0.0001279   0.0279434   -0.0590543  113 TYR   A CA   
1453 C C    . TYR   A 101 ? 0.413307 0.492851 0.373584 0.00643428  0.0215659   -0.0636846  113 TYR   A C    
1454 O O    . TYR   A 101 ? 0.365847 0.461034 0.322304 0.0179405   0.0107217   -0.0656822  113 TYR   A O    
1455 C CB   . TYR   A 101 ? 0.39247  0.436267 0.309976 0.010214    0.0314572   -0.0468448  113 TYR   A CB   
1456 C CG   . TYR   A 101 ? 0.407335 0.437153 0.31473  0.00410032  0.0371388   -0.0417792  113 TYR   A CG   
1457 C CD1  . TYR   A 101 ? 0.366942 0.404698 0.268309 0.00591445  0.0348348   -0.0477274  113 TYR   A CD1  
1458 C CD2  . TYR   A 101 ? 0.380385 0.389567 0.288283 -0.00436313 0.0438067   -0.0333461  113 TYR   A CD2  
1459 C CE1  . TYR   A 101 ? 0.395115 0.424537 0.293566 0.00224168  0.0423876   -0.0421499  113 TYR   A CE1  
1460 C CE2  . TYR   A 101 ? 0.381694 0.383709 0.289937 -0.0104844  0.0476842   -0.0276892  113 TYR   A CE2  
1461 C CZ   . TYR   A 101 ? 0.40008  0.414305 0.306504 -0.00699843 0.0484351   -0.0314944  113 TYR   A CZ   
1462 O OH   . TYR   A 101 ? 0.366761 0.377747 0.279269 -0.011209   0.054433    -0.0246541  113 TYR   A OH   
1463 H H    . TYR   A 101 ? 0.366884 0.396487 0.307505 -0.00981509 0.0415966   -0.051481   113 TYR   A H    
1464 H HA   . TYR   A 101 ? 0.379158 0.439375 0.31929  -0.00233018 0.0232044   -0.0656465  113 TYR   A HA   
1465 H HB2  . TYR   A 101 ? 0.397309 0.431506 0.314164 0.0118622   0.0358632   -0.0409876  113 TYR   A HB2  
1466 H HB3  . TYR   A 101 ? 0.404399 0.458912 0.315143 0.0198457   0.0257334   -0.0472488  113 TYR   A HB3  
1467 H HD1  . TYR   A 101 ? 0.389831 0.4391   0.288557 0.0112266   0.0278751   -0.0555776  113 TYR   A HD1  
1468 H HD2  . TYR   A 101 ? 0.388715 0.388805 0.296753 -0.00476918 0.0451282   -0.0311921  113 TYR   A HD2  
1469 H HE1  . TYR   A 101 ? 0.397097 0.431488 0.289815 0.00600061  0.0425417   -0.0465427  113 TYR   A HE1  
1470 H HE2  . TYR   A 101 ? 0.385389 0.374517 0.296293 -0.0167696  0.0493527   -0.0222767  113 TYR   A HE2  
1472 N N    . GLY   A 102 ? 0.399973 0.482678 0.380341 0.00106585  0.0291235   -0.0634222  114 GLY   A N    
1473 C CA   . GLY   A 102 ? 0.419612 0.53167  0.431739 0.00422872  0.0250082   -0.0676221  114 GLY   A CA   
1474 C C    . GLY   A 102 ? 0.436807 0.562179 0.448594 0.023133    0.0200134   -0.0625983  114 GLY   A C    
1475 O O    . GLY   A 102 ? 0.43     0.536005 0.416069 0.0338563   0.0241244   -0.0536432  114 GLY   A O    
1476 H H    . GLY   A 102 ? 0.402651 0.469822 0.377364 -0.00420998 0.0373694   -0.0600393  114 GLY   A H    
1477 H HA2  . GLY   A 102 ? 0.411753 0.522813 0.435764 -0.00087427 0.0349118   -0.0658035  114 GLY   A HA2  
1478 H HA3  . GLY   A 102 ? 0.41424  0.539321 0.43916  -0.00105298 0.0153786   -0.0755079  114 GLY   A HA3  
1479 N N    . SER   A 103 ? 0.444156 0.603723 0.488335 0.027174    0.00886031  -0.0679432  115 SER   A N    
1480 C CA   . SER   A 103 ? 0.461514 0.637882 0.511115 0.0472194   0.00222771  -0.0623782  115 SER   A CA   
1481 C C    . SER   A 103 ? 0.412533 0.582718 0.42838  0.0591141   -0.0129852  -0.0607655  115 SER   A C    
1482 O O    . SER   A 103 ? 0.455018 0.622309 0.457943 0.0772073   -0.014441   -0.0508329  115 SER   A O    
1483 C CB   . SER   A 103 ? 0.450497 0.670078 0.551598 0.0490379   -0.00617148 -0.0668706  115 SER   A CB   
1484 O OG   . SER   A 103 ? 0.485205 0.722032 0.603965 0.0352759   -0.0241312  -0.0798091  115 SER   A OG   
1485 H H    . SER   A 103 ? 0.437397 0.610111 0.502636 0.0174238   0.00438271  -0.0747123  115 SER   A H    
1486 H HA   . SER   A 103 ? 0.448033 0.609185 0.488196 0.0535377   0.0145853   -0.0549338  115 SER   A HA   
1487 H HB2  . SER   A 103 ? 0.471147 0.702595 0.574533 0.064016    -0.0136756  -0.0631729  115 SER   A HB2  
1488 H HB3  . SER   A 103 ? 0.453014 0.675882 0.573253 0.0450468   0.00807755  -0.0643375  115 SER   A HB3  
1490 N N    . ALA   A 104 ? 0.4287   0.596146 0.429084 0.0510353   -0.023561   -0.0699923  116 ALA   A N    
1491 C CA   . ALA   A 104 ? 0.447518 0.608109 0.409194 0.0640921   -0.0345639  -0.0678103  116 ALA   A CA   
1492 C C    . ALA   A 104 ? 0.419992 0.547594 0.346429 0.0689327   -0.0175714  -0.0519998  116 ALA   A C    
1493 O O    . ALA   A 104 ? 0.473606 0.594543 0.37165  0.0848971   -0.0204565  -0.0411237  116 ALA   A O    
1494 C CB   . ALA   A 104 ? 0.459687 0.622217 0.410342 0.0560641   -0.0474555  -0.0836684  116 ALA   A CB   
1495 H H    . ALA   A 104 ? 0.414677 0.583371 0.427334 0.0382103   -0.0230068  -0.0774613  116 ALA   A H    
1496 H HA   . ALA   A 104 ? 0.456035 0.632416 0.421835 0.0766611   -0.0455498  -0.065842   116 ALA   A HA   
1497 H HB1  . ALA   A 104 ? 0.458137 0.640454 0.433221 0.0521648   -0.0606903  -0.0940118  116 ALA   A HB1  
1498 H HB2  . ALA   A 104 ? 0.446005 0.594194 0.395371 0.0448284   -0.037174   -0.0852642  116 ALA   A HB2  
1499 H HB3  . ALA   A 104 ? 0.479054 0.636391 0.399329 0.0667282   -0.0528585  -0.0818373  116 ALA   A HB3  
1500 N N    . GLY   A 105 ? 0.431583 0.538516 0.360691 0.0548027   -0.00126568 -0.0498516  117 GLY   A N    
1501 C CA   . GLY   A 105 ? 0.459891 0.53699  0.362765 0.0543077   0.0119345   -0.0368849  117 GLY   A CA   
1502 C C    . GLY   A 105 ? 0.479432 0.552976 0.355641 0.0558544   0.0105239   -0.0364751  117 GLY   A C    
1503 O O    . GLY   A 105 ? 0.451729 0.538811 0.328245 0.0532685   0.0008294   -0.0505467  117 GLY   A O    
1504 H H    . GLY   A 105 ? 0.414445 0.526166 0.363278 0.0447781   0.0011117   -0.0560635  117 GLY   A H    
1505 H HA2  . GLY   A 105 ? 0.44288  0.508434 0.353166 0.0434937   0.0202359   -0.037467   117 GLY   A HA2  
1506 H HA3  . GLY   A 105 ? 0.468052 0.537862 0.363642 0.0642995   0.0140496   -0.0271098  117 GLY   A HA3  
1507 N N    . SER   A 106 ? 0.482872 0.536699 0.337195 0.0602234   0.0214159   -0.0201843  118 SER   A N    
1508 C CA   . SER   A 106 ? 0.48042  0.531023 0.309302 0.0638976   0.0266582   -0.0153753  118 SER   A CA   
1509 C C    . SER   A 106 ? 0.484316 0.51985  0.291333 0.0753547   0.0358444   0.00738487  118 SER   A C    
1510 O O    . SER   A 106 ? 0.464082 0.483346 0.271371 0.0679956   0.0504045   0.0208979   118 SER   A O    
1511 C CB   . SER   A 106 ? 0.441662 0.484223 0.280744 0.0484391   0.0369404   -0.0182025  118 SER   A CB   
1512 O OG   . SER   A 106 ? 0.475299 0.521021 0.292607 0.0551108   0.0426174   -0.0171908  118 SER   A OG   
1513 H H    . SER   A 106 ? 0.482545 0.524004 0.338814 0.0610679   0.0268006   -0.0113095  118 SER   A H    
1514 H HA   . SER   A 106 ? 0.486522 0.550197 0.305157 0.0708188   0.0170643   -0.0244264  118 SER   A HA   
1515 H HB2  . SER   A 106 ? 0.433106 0.481105 0.287838 0.040384    0.0318352   -0.0304257  118 SER   A HB2  
1516 H HB3  . SER   A 106 ? 0.444321 0.473524 0.290233 0.0423295   0.0448678   -0.00833732 118 SER   A HB3  
1518 N N    . LEU   A 107 ? 0.504339 0.546393 0.297011 0.0926977   0.0258528   0.0119243   119 LEU   A N    
1519 C CA   . LEU   A 107 ? 0.52946  0.554707 0.301187 0.106233    0.0325669   0.0354579   119 LEU   A CA   
1520 C C    . LEU   A 107 ? 0.572974 0.594983 0.31023  0.114142    0.0432356   0.0485833   119 LEU   A C    
1521 O O    . LEU   A 107 ? 0.597786 0.635516 0.31637  0.119241    0.0376117   0.0356445   119 LEU   A O    
1522 C CB   . LEU   A 107 ? 0.569164 0.605222 0.337733 0.124329    0.0165517   0.0354768   119 LEU   A CB   
1523 C CG   . LEU   A 107 ? 0.59592  0.628731 0.39821  0.120601    0.0146929   0.0311232   119 LEU   A CG   
1524 C CD1  . LEU   A 107 ? 0.701751 0.755086 0.50928  0.140337    -0.0026085  0.0293644   119 LEU   A CD1  
1525 C CD2  . LEU   A 107 ? 0.589132 0.585482 0.390997 0.11732     0.0299908   0.0490821   119 LEU   A CD2  
1526 H H    . LEU   A 107 ? 0.501998 0.559694 0.299681 0.0963195   0.0135024   0.00039848  119 LEU   A H    
1527 H HA   . LEU   A 107 ? 0.530501 0.538533 0.31508  0.0979507   0.0413172   0.0430721   119 LEU   A HA   
1528 H HB2  . LEU   A 107 ? 0.574264 0.630152 0.339361 0.128464    0.0038543   0.0226921   119 LEU   A HB2  
1529 H HB3  . LEU   A 107 ? 0.602829 0.628628 0.349788 0.136468    0.0194576   0.0516433   119 LEU   A HB3  
1530 H HG   . LEU   A 107 ? 0.57119  0.611751 0.393143 0.107757    0.0146495   0.0175611   119 LEU   A HG   
1531 H HD11 . LEU   A 107 ? 0.666621 0.742998 0.478362 0.140262    -0.0146521  0.0165345   119 LEU   A HD11 
1532 H HD12 . LEU   A 107 ? 0.661032 0.712681 0.490265 0.139724    -0.00085314 0.0273626   119 LEU   A HD12 
1533 H HD13 . LEU   A 107 ? 0.701482 0.746482 0.487155 0.154214    -0.00366741 0.0433925   119 LEU   A HD13 
1534 H HD21 . LEU   A 107 ? 0.579987 0.566664 0.386666 0.102873    0.0385113   0.0481339   119 LEU   A HD21 
1535 H HD22 . LEU   A 107 ? 0.621429 0.607498 0.403654 0.127775    0.0323263   0.0645213   119 LEU   A HD22 
1536 H HD23 . LEU   A 107 ? 0.590002 0.582091 0.406692 0.119573    0.0285394   0.0461766   119 LEU   A HD23 
1537 N N    . PRO   A 108 ? 0.624296 0.624413 0.352285 0.115507    0.0600215   0.0745285   120 PRO   A N    
1538 C CA   . PRO   A 108 ? 0.60921  0.584773 0.354711 0.111555    0.063502    0.0880493   120 PRO   A CA   
1539 C C    . PRO   A 108 ? 0.578266 0.537637 0.357416 0.0879464   0.0715945   0.0852427   120 PRO   A C    
1540 O O    . PRO   A 108 ? 0.559359 0.494746 0.350639 0.0847879   0.0715227   0.0910377   120 PRO   A O    
1541 C CB   . PRO   A 108 ? 0.671045 0.628178 0.388486 0.124187    0.0765135   0.118876    120 PRO   A CB   
1542 C CG   . PRO   A 108 ? 0.696076 0.666531 0.391916 0.125684    0.0893641   0.123197    120 PRO   A CG   
1543 C CD   . PRO   A 108 ? 0.689375 0.686615 0.383975 0.125337    0.0757645   0.0934348   120 PRO   A CD   
1544 H HA   . PRO   A 108 ? 0.612737 0.592368 0.36215  0.118879    0.0520224   0.0813845   120 PRO   A HA   
1545 H HB2  . PRO   A 108 ? 0.673119 0.609133 0.404671 0.115497    0.0849888   0.130933    120 PRO   A HB2  
1546 H HB3  . PRO   A 108 ? 0.693182 0.651147 0.392933 0.140334    0.0681401   0.123303    120 PRO   A HB3  
1547 H HG2  . PRO   A 108 ? 0.688724 0.652068 0.401412 0.112523    0.102788    0.130966    120 PRO   A HG2  
1548 H HG3  . PRO   A 108 ? 0.733507 0.701405 0.399447 0.140658    0.093289    0.137898    120 PRO   A HG3  
1549 H HD2  . PRO   A 108 ? 0.668161 0.670045 0.369863 0.116475    0.0849477   0.0897297   120 PRO   A HD2  
1550 H HD3  . PRO   A 108 ? 0.702829 0.709516 0.368784 0.140696    0.0679176   0.0906316   120 PRO   A HD3  
1551 N N    . LYS   A 109 ? 0.568766 0.538975 0.362619 0.0726476   0.0757338   0.0741454   121 LYS   A N    
1552 C CA   . LYS   A 109 ? 0.614989 0.56777  0.437639 0.0519575   0.0801281   0.0740831   121 LYS   A CA   
1553 C C    . LYS   A 109 ? 0.556871 0.506037 0.395712 0.0450319   0.068655    0.0544799   121 LYS   A C    
1554 O O    . LYS   A 109 ? 0.523765 0.448038 0.37468  0.0348744   0.0689899   0.0562412   121 LYS   A O    
1555 C CB   . LYS   A 109 ? 0.66882  0.628817 0.50637  0.0381077   0.090763    0.0774151   121 LYS   A CB   
1556 C CG   . LYS   A 109 ? 0.66545  0.637783 0.522878 0.0247769   0.0863567   0.0591578   121 LYS   A CG   
1557 C CD   . LYS   A 109 ? 0.708159 0.679559 0.588687 0.0112913   0.0978277   0.072089    121 LYS   A CD   
1558 C CE   . LYS   A 109 ? 0.79512  0.774755 0.663881 0.0213556   0.11612     0.0938202   121 LYS   A CE   
1559 N NZ   . LYS   A 109 ? 0.86465  0.83924  0.764797 0.00689662  0.128513    0.114104    121 LYS   A NZ   
1560 H H    . LYS   A 109 ? 0.574258 0.560675 0.359827 0.0755885   0.0746845   0.0664689   121 LYS   A H    
1561 H HA   . LYS   A 109 ? 0.624129 0.557163 0.446897 0.0518038   0.0849078   0.0888922   121 LYS   A HA   
1562 H HB2  . LYS   A 109 ? 0.669848 0.613563 0.519209 0.0298787   0.0963937   0.090261    121 LYS   A HB2  
1563 H HB3  . LYS   A 109 ? 0.675018 0.645936 0.496792 0.0474211   0.0976715   0.0841196   121 LYS   A HB3  
1564 H HG2  . LYS   A 109 ? 0.662804 0.651517 0.510226 0.0316251   0.0841459   0.0492792   121 LYS   A HG2  
1565 H HG3  . LYS   A 109 ? 0.652683 0.616853 0.518878 0.0185377   0.078393    0.0497947   121 LYS   A HG3  
1566 H HD2  . LYS   A 109 ? 0.691596 0.673942 0.582282 0.00617102  0.0957763   0.0616549   121 LYS   A HD2  
1567 H HD3  . LYS   A 109 ? 0.711298 0.665644 0.605955 0.00108533  0.0955307   0.0772029   121 LYS   A HD3  
1568 H HE2  . LYS   A 109 ? 0.81306  0.78521  0.662463 0.0314545   0.117138    0.102071    121 LYS   A HE2  
1569 H HE3  . LYS   A 109 ? 0.793298 0.78958  0.651924 0.0287627   0.11949     0.0871797   121 LYS   A HE3  
1570 H HZ1  . LYS   A 109 ? 0.841517 0.799184 0.754879 -0.00315061 0.121909    0.115513    121 LYS   A HZ1  
1571 H HZ2  . LYS   A 109 ? 0.829577 0.817016 0.745591 0.00160243  0.130586    0.109599    121 LYS   A HZ2  
1572 H HZ3  . LYS   A 109 ? 0.866467 0.841956 0.758214 0.0133736   0.140723    0.130314    121 LYS   A HZ3  
1573 N N    . ILE   A 110 ? 0.458416 0.430529 0.297552 0.0499996   0.0589671   0.0360635   122 ILE   A N    
1574 C CA   . ILE   A 110 ? 0.458632 0.429328 0.314504 0.0430202   0.0530927   0.0206781   122 ILE   A CA   
1575 C C    . ILE   A 110 ? 0.464069 0.448792 0.319248 0.0590166   0.0448115   0.0152733   122 ILE   A C    
1576 O O    . ILE   A 110 ? 0.479072 0.489929 0.330909 0.0668613   0.0364573   0.008347    122 ILE   A O    
1577 C CB   . ILE   A 110 ? 0.457891 0.444364 0.32698  0.0301606   0.0505332   0.00451359  122 ILE   A CB   
1578 C CG1  . ILE   A 110 ? 0.481709 0.465393 0.354988 0.0182239   0.0566691   0.00834455  122 ILE   A CG1  
1579 C CG2  . ILE   A 110 ? 0.447669 0.429161 0.330476 0.0230724   0.0483591   -0.00707138 122 ILE   A CG2  
1580 C CD1  . ILE   A 110 ? 0.513572 0.472702 0.396552 0.0053506   0.0605865   0.017154    122 ILE   A CD1  
1581 H H    . ILE   A 110 ? 0.484387 0.47241  0.313201 0.0575882   0.0563206   0.033359    122 ILE   A H    
1582 H HA   . ILE   A 110 ? 0.464609 0.414448 0.324361 0.0371782   0.0560528   0.0247071   122 ILE   A HA   
1583 H HB   . ILE   A 110 ? 0.457115 0.461912 0.323246 0.0363953   0.0455797   -0.00185748 122 ILE   A HB   
1584 H HG12 . ILE   A 110 ? 0.491669 0.48142  0.354986 0.0247549   0.0604058   0.0154412   122 ILE   A HG12 
1585 H HG13 . ILE   A 110 ? 0.465283 0.458778 0.345602 0.0130054   0.0538885   -0.00226289 122 ILE   A HG13 
1586 H HG21 . ILE   A 110 ? 0.432045 0.419235 0.322118 0.0141113   0.0477006   -0.0143226  122 ILE   A HG21 
1587 H HG22 . ILE   A 110 ? 0.454644 0.415473 0.335589 0.020027    0.0512158   -0.00248748 122 ILE   A HG22 
1588 H HG23 . ILE   A 110 ? 0.447464 0.440171 0.333265 0.0312078   0.0450142   -0.0113484  122 ILE   A HG23 
1589 H HD11 . ILE   A 110 ? 0.496558 0.448167 0.384486 -0.00045308 0.0567509   0.00918803  122 ILE   A HD11 
1590 H HD12 . ILE   A 110 ? 0.499675 0.46262  0.389698 -0.00101694 0.0640258   0.020585    122 ILE   A HD12 
1591 H HD13 . ILE   A 110 ? 0.521788 0.467882 0.399421 0.0093852   0.0631101   0.0276051   122 ILE   A HD13 
1592 N N    . PRO   A 111 ? 0.492616 0.462401 0.353822 0.0642231   0.0455358   0.0156025   123 PRO   A N    
1593 C CA   . PRO   A 111 ? 0.505212 0.493853 0.373847 0.0810662   0.0385301   0.0115204   123 PRO   A CA   
1594 C C    . PRO   A 111 ? 0.46148  0.479218 0.353933 0.0748245   0.0343464   -0.00603624 123 PRO   A C    
1595 O O    . PRO   A 111 ? 0.484676 0.501121 0.384514 0.0582898   0.0382261   -0.0146841  123 PRO   A O    
1596 C CB   . PRO   A 111 ? 0.570465 0.529154 0.437083 0.0899235   0.0441967   0.01847     123 PRO   A CB   
1597 C CG   . PRO   A 111 ? 0.569102 0.491792 0.429144 0.072896    0.05181     0.0207873   123 PRO   A CG   
1598 C CD   . PRO   A 111 ? 0.5116   0.445935 0.373218 0.0555746   0.0520035   0.018532    123 PRO   A CD   
1599 H HA   . PRO   A 111 ? 0.51983  0.519213 0.379044 0.0913093   0.0330851   0.0170679   123 PRO   A HA   
1600 H HB2  . PRO   A 111 ? 0.553669 0.521033 0.432807 0.0943502   0.0443669   0.0106067   123 PRO   A HB2  
1601 H HB3  . PRO   A 111 ? 0.580374 0.533379 0.437591 0.10245     0.0423595   0.029333    123 PRO   A HB3  
1602 H HG2  . PRO   A 111 ? 0.559394 0.472636 0.423777 0.0700573   0.0542421   0.012547    123 PRO   A HG2  
1603 H HG3  . PRO   A 111 ? 0.583998 0.484043 0.434868 0.0766491   0.0538734   0.0322744   123 PRO   A HG3  
1604 H HD2  . PRO   A 111 ? 0.501382 0.435902 0.370126 0.0453325   0.0525717   0.00895861  123 PRO   A HD2  
1605 H HD3  . PRO   A 111 ? 0.52661  0.445428 0.382482 0.0505936   0.0552161   0.0286871   123 PRO   A HD3  
1606 N N    . SER   A 112 ? 0.470424 0.515342 0.377395 0.0886047   0.0256579   -0.0093649  124 SER   A N    
1607 C CA   . SER   A 112 ? 0.491899 0.56672  0.430909 0.0842487   0.0229919   -0.0225484  124 SER   A CA   
1608 C C    . SER   A 112 ? 0.454323 0.512416 0.401884 0.076094    0.0383858   -0.0259867  124 SER   A C    
1609 O O    . SER   A 112 ? 0.471621 0.500751 0.405892 0.0829459   0.0472232   -0.0201755  124 SER   A O    
1610 C CB   . SER   A 112 ? 0.565024 0.669579 0.522943 0.104127    0.0115821   -0.0210743  124 SER   A CB   
1611 O OG   . SER   A 112 ? 0.643875 0.782656 0.641644 0.0974263   0.00921563  -0.0325012  124 SER   A OG   
1612 H H    . SER   A 112 ? 0.496518 0.542421 0.39505  0.10149     0.0209253   -0.00190679 124 SER   A H    
1613 H HA   . SER   A 112 ? 0.475257 0.562257 0.41788  0.0744425   0.0177962   -0.0297381  124 SER   A HA   
1614 H HB2  . SER   A 112 ? 0.580602 0.693035 0.526892 0.110054    0.00028663  -0.0190169  124 SER   A HB2  
1615 H HB3  . SER   A 112 ? 0.584828 0.676581 0.539999 0.115475    0.0172256   -0.0139944  124 SER   A HB3  
1617 N N    . ASN   A 113 ? 0.447897 0.519873 0.413368 0.0613277   0.0414178   -0.0355764  125 ASN   A N    
1618 C CA   . ASN   A 113 ? 0.451649 0.514412 0.42429  0.0566088   0.0564458   -0.0385577  125 ASN   A CA   
1619 C C    . ASN   A 113 ? 0.500901 0.517929 0.44064  0.0518429   0.0645266   -0.0353683  125 ASN   A C    
1620 O O    . ASN   A 113 ? 0.482295 0.478905 0.412747 0.0589195   0.0755274   -0.0358871  125 ASN   A O    
1621 C CB   . ASN   A 113 ? 0.475712 0.559405 0.472661 0.0740582   0.0621838   -0.0374494  125 ASN   A CB   
1622 C CG   . ASN   A 113 ? 0.422507 0.556041 0.462205 0.0747271   0.0519405   -0.0415248  125 ASN   A CG   
1623 O OD1  . ASN   A 113 ? 0.425596 0.58274  0.484656 0.0923819   0.0448138   -0.0383325  125 ASN   A OD1  
1624 N ND2  . ASN   A 113 ? 0.380431 0.52951  0.438024 0.0558603   0.0497808   -0.0483703  125 ASN   A ND2  
1625 H H    . ASN   A 113 ? 0.435846 0.521976 0.407401 0.0543367   0.0342888   -0.040249   125 ASN   A H    
1626 H HA   . ASN   A 113 ? 0.445251 0.51951  0.430112 0.0449549   0.0569868   -0.0435966  125 ASN   A HA   
1627 H HB2  . ASN   A 113 ? 0.478337 0.550898 0.464388 0.0871723   0.0603534   -0.032215   125 ASN   A HB2  
1628 H HB3  . ASN   A 113 ? 0.467504 0.542317 0.46401  0.0730865   0.0748585   -0.0388532  125 ASN   A HB3  
1629 H HD21 . ASN   A 113 ? 0.383484 0.559565 0.466839 0.0540437   0.0413324   -0.0517492  125 ASN   A HD21 
1630 H HD22 . ASN   A 113 ? 0.384651 0.516688 0.429799 0.0451271   0.0560989   -0.0495142  125 ASN   A HD22 
1631 N N    . ALA   A 114 ? 0.460973 0.462188 0.384202 0.0402172   0.0587154   -0.0329919  126 ALA   A N    
1632 C CA   . ALA   A 114 ? 0.483612 0.445126 0.383101 0.0336405   0.0618239   -0.0296071  126 ALA   A CA   
1633 C C    . ALA   A 114 ? 0.453915 0.404737 0.348679 0.0184007   0.0655923   -0.0359549  126 ALA   A C    
1634 O O    . ALA   A 114 ? 0.391155 0.360074 0.297571 0.00787554  0.0632244   -0.0391557  126 ALA   A O    
1635 C CB   . ALA   A 114 ? 0.50045  0.452999 0.390671 0.0299124   0.0557307   -0.0207884  126 ALA   A CB   
1636 H H    . ALA   A 114 ? 0.460023 0.475995 0.388335 0.0365206   0.0523864   -0.0338603  126 ALA   A H    
1637 H HA   . ALA   A 114 ? 0.498433 0.443942 0.390518 0.0430034   0.0657564   -0.0282723  126 ALA   A HA   
1638 H HB1  . ALA   A 114 ? 0.505523 0.461536 0.394274 0.0408134   0.0540643   -0.0151414  126 ALA   A HB1  
1639 H HB2  . ALA   A 114 ? 0.480448 0.448069 0.376335 0.0230784   0.0527758   -0.0227277  126 ALA   A HB2  
1640 H HB3  . ALA   A 114 ? 0.505799 0.433612 0.386012 0.0239443   0.0566238   -0.0182087  126 ALA   A HB3  
1641 N N    . THR   A 115 ? 0.427627 0.344629 0.301411 0.0185307   0.0699881   -0.037844   127 THR   A N    
1642 C CA   . THR   A 115 ? 0.453434 0.351387 0.312324 0.00548588  0.0696812   -0.0419726  127 THR   A CA   
1643 C C    . THR   A 115 ? 0.456747 0.333287 0.308301 -0.00637997 0.0584565   -0.0376743  127 THR   A C    
1644 O O    . THR   A 115 ? 0.469931 0.326797 0.316008 -0.00284184 0.0551739   -0.0330235  127 THR   A O    
1645 C CB   . THR   A 115 ? 0.491509 0.362691 0.326078 0.0144854   0.0786448   -0.0478445  127 THR   A CB   
1646 O OG1  . THR   A 115 ? 0.484113 0.385502 0.336435 0.0241062   0.091692    -0.0489754  127 THR   A OG1  
1647 C CG2  . THR   A 115 ? 0.544569 0.390614 0.353333 0.00394294  0.0763785   -0.052255   127 THR   A CG2  
1648 H H    . THR   A 115 ? 0.462318 0.365948 0.328827 0.0281974   0.0721836   -0.0368682  127 THR   A H    
1649 H HA   . THR   A 115 ? 0.433537 0.349993 0.303363 -0.0002681  0.0710508   -0.0432993  127 THR   A HA   
1650 H HB   . THR   A 115 ? 0.517197 0.368789 0.342028 0.0219807   0.0774734   -0.047693   127 THR   A HB   
1652 H HG21 . THR   A 115 ? 0.55975  0.388623 0.348618 0.0119903   0.0832991   -0.056751   127 THR   A HG21 
1653 H HG22 . THR   A 115 ? 0.516463 0.380231 0.334962 -0.00249291 0.0783662   -0.0510661  127 THR   A HG22 
1654 H HG23 . THR   A 115 ? 0.53778  0.366505 0.339828 -0.00377642 0.0657036   -0.051463   127 THR   A HG23 
1655 N N    . LEU   A 116 ? 0.416935 0.298905 0.272959 -0.0199329  0.0532523   -0.0378124  128 LEU   A N    
1656 C CA   . LEU   A 116 ? 0.452392 0.323356 0.311895 -0.0317911  0.0430425   -0.032537   128 LEU   A CA   
1657 C C    . LEU   A 116 ? 0.48208  0.328525 0.324911 -0.0414344  0.0349357   -0.0368474  128 LEU   A C    
1658 O O    . LEU   A 116 ? 0.499518 0.345852 0.330071 -0.0408165  0.0387518   -0.0417791  128 LEU   A O    
1659 C CB   . LEU   A 116 ? 0.453809 0.353343 0.335101 -0.0372917  0.0418469   -0.0283763  128 LEU   A CB   
1660 C CG   . LEU   A 116 ? 0.494576 0.421665 0.387283 -0.0276927  0.0468321   -0.0264442  128 LEU   A CG   
1661 C CD1  . LEU   A 116 ? 0.477417 0.420844 0.382862 -0.031761   0.0454953   -0.0219063  128 LEU   A CD1  
1662 C CD2  . LEU   A 116 ? 0.500491 0.423489 0.388247 -0.0166664  0.0492725   -0.0209261  128 LEU   A CD2  
1663 H H    . LEU   A 116 ? 0.421845 0.315709 0.281561 -0.0217091  0.0564904   -0.0405063  128 LEU   A H    
1664 H HA   . LEU   A 116 ? 0.463902 0.322752 0.322059 -0.0296729  0.0414626   -0.0285024  128 LEU   A HA   
1665 H HB2  . LEU   A 116 ? 0.450711 0.355692 0.333152 -0.0412956  0.0415406   -0.0319719  128 LEU   A HB2  
1666 H HB3  . LEU   A 116 ? 0.460153 0.353684 0.346704 -0.043538   0.0370739   -0.0233617  128 LEU   A HB3  
1667 H HG   . LEU   A 116 ? 0.474277 0.414099 0.370283 -0.0252386  0.0492041   -0.0320225  128 LEU   A HG   
1668 H HD11 . LEU   A 116 ? 0.46952  0.416477 0.379932 -0.0375488  0.0436639   -0.0255211  128 LEU   A HD11 
1669 H HD12 . LEU   A 116 ? 0.473241 0.432023 0.380268 -0.0247505  0.0474471   -0.0223319  128 LEU   A HD12 
1670 H HD13 . LEU   A 116 ? 0.484541 0.418976 0.391534 -0.0348325  0.0446962   -0.0147456  128 LEU   A HD13 
1671 H HD21 . LEU   A 116 ? 0.512065 0.425288 0.392547 -0.0115773  0.0512507   -0.0241508  128 LEU   A HD21 
1672 H HD22 . LEU   A 116 ? 0.511774 0.422038 0.398548 -0.0198712  0.047832    -0.0140288  128 LEU   A HD22 
1673 H HD23 . LEU   A 116 ? 0.4949   0.436869 0.387566 -0.0104037  0.0502687   -0.0203831  128 LEU   A HD23 
1674 N N    . PHE   A 117 ? 0.514637 0.34198  0.359542 -0.0507348  0.0230797   -0.0332281  129 PHE   A N    
1675 C CA   . PHE   A 117 ? 0.500731 0.306264 0.333881 -0.0612551  0.00868104  -0.0366018  129 PHE   A CA   
1676 C C    . PHE   A 117 ? 0.495425 0.316901 0.359863 -0.073658   -0.00101039 -0.0277225  129 PHE   A C    
1677 O O    . PHE   A 117 ? 0.478577 0.308186 0.365958 -0.076256   0.00084315  -0.0188171  129 PHE   A O    
1678 C CB   . PHE   A 117 ? 0.530627 0.29421  0.33898  -0.060538   0.00033014  -0.0430952  129 PHE   A CB   
1679 C CG   . PHE   A 117 ? 0.56421  0.303521 0.359373 -0.0722687  -0.0204659  -0.0479633  129 PHE   A CG   
1680 C CD1  . PHE   A 117 ? 0.618823 0.340003 0.375042 -0.0679964  -0.0235634  -0.0573561  129 PHE   A CD1  
1681 C CD2  . PHE   A 117 ? 0.580516 0.317585 0.403404 -0.0871726  -0.0370465  -0.0417492  129 PHE   A CD2  
1682 C CE1  . PHE   A 117 ? 0.636958 0.336484 0.37742  -0.0772863  -0.0460913  -0.061687   129 PHE   A CE1  
1683 C CE2  . PHE   A 117 ? 0.667121 0.38571  0.482195 -0.0980448  -0.0603424  -0.0466038  129 PHE   A CE2  
1684 C CZ   . PHE   A 117 ? 0.639363 0.338676 0.41066  -0.0925311  -0.0665023  -0.0571456  129 PHE   A CZ   
1685 H H    . PHE   A 117 ? 0.499989 0.328685 0.355567 -0.0506213  0.0233254   -0.0276829  129 PHE   A H    
1686 H HA   . PHE   A 117 ? 0.507865 0.314996 0.328466 -0.0596347  0.0107631   -0.0404965  129 PHE   A HA   
1687 H HB2  . PHE   A 117 ? 0.54876  0.303225 0.336234 -0.0504853  0.00838809  -0.0491444  129 PHE   A HB2  
1688 H HB3  . PHE   A 117 ? 0.536012 0.296476 0.35768  -0.0617985  -6.45e-05   -0.0380529  129 PHE   A HB3  
1689 H HD1  . PHE   A 117 ? 0.609476 0.334681 0.350766 -0.0584095  -0.0101408  -0.0597836  129 PHE   A HD1  
1690 H HD2  . PHE   A 117 ? 0.574663 0.324031 0.422768 -0.0896859  -0.0325678  -0.0334723  129 PHE   A HD2  
1691 H HE1  . PHE   A 117 ? 0.663609 0.349457 0.372678 -0.0729472  -0.0477349  -0.0671127  129 PHE   A HE1  
1692 H HE2  . PHE   A 117 ? 0.638213 0.358703 0.478366 -0.108997   -0.0722339  -0.0417826  129 PHE   A HE2  
1693 H HZ   . PHE   A 117 ? 0.672766 0.358008 0.435092 -0.0989646  -0.084744   -0.0607109  129 PHE   A HZ   
1694 N N    . PHE   A 118 ? 0.477537 0.302965 0.343165 -0.0800859  -0.0103817  -0.0284646  130 PHE   A N    
1695 C CA   . PHE   A 118 ? 0.483434 0.323366 0.381718 -0.0904016  -0.0210095  -0.0201856  130 PHE   A CA   
1696 C C    . PHE   A 118 ? 0.513688 0.33348  0.401886 -0.0991857  -0.0433957  -0.0234731  130 PHE   A C    
1697 O O    . PHE   A 118 ? 0.550851 0.35388  0.404519 -0.0952608  -0.0470517  -0.0305481  130 PHE   A O    
1698 C CB   . PHE   A 118 ? 0.437806 0.31095  0.357689 -0.0869467  -0.011744   -0.0157523  130 PHE   A CB   
1699 C CG   . PHE   A 118 ? 0.424161 0.320431 0.355361 -0.0784726  0.00581735  -0.0130445  130 PHE   A CG   
1700 C CD1  . PHE   A 118 ? 0.423424 0.323192 0.337393 -0.0694347  0.0164479   -0.0198894  130 PHE   A CD1  
1701 C CD2  . PHE   A 118 ? 0.417116 0.333211 0.376368 -0.0788989  0.0114215   -0.00304944 130 PHE   A CD2  
1702 C CE1  . PHE   A 118 ? 0.438238 0.358825 0.360093 -0.0611912  0.0275466   -0.0189152  130 PHE   A CE1  
1703 C CE2  . PHE   A 118 ? 0.423723 0.357686 0.383295 -0.0688252  0.02586     -0.00142822 130 PHE   A CE2  
1704 C CZ   . PHE   A 118 ? 0.399748 0.335005 0.339589 -0.0601909  0.0314388   -0.0103187  130 PHE   A CZ   
1705 H H    . PHE   A 118 ? 0.492201 0.311866 0.339202 -0.0771957  -0.00944237 -0.0330906  130 PHE   A H    
1706 H HA   . PHE   A 118 ? 0.478484 0.319658 0.393147 -0.093568   -0.0205596  -0.0147772  130 PHE   A HA   
1707 H HB2  . PHE   A 118 ? 0.444547 0.314508 0.349347 -0.0844112  -0.0113258  -0.020039   130 PHE   A HB2  
1708 H HB3  . PHE   A 118 ? 0.43882  0.320648 0.380007 -0.0923875  -0.0189541  -0.0104665  130 PHE   A HB3  
1709 H HD1  . PHE   A 118 ? 0.438043 0.326703 0.335224 -0.0686478  0.0157086   -0.0249096  130 PHE   A HD1  
1710 H HD2  . PHE   A 118 ? 0.423668 0.341064 0.400855 -0.0856024  0.00530052  0.00292392  130 PHE   A HD2  
1711 H HE1  . PHE   A 118 ? 0.420119 0.345146 0.334536 -0.0558245  0.0323889   -0.0237141  130 PHE   A HE1  
1712 H HE2  . PHE   A 118 ? 0.411555 0.357613 0.385234 -0.0676059  0.0315091   0.00607802  130 PHE   A HE2  
1713 H HZ   . PHE   A 118 ? 0.406522 0.354002 0.345861 -0.0531988  0.0382011   -0.010021   130 PHE   A HZ   
1714 N N    . GLU   A 119 ? 0.489239 0.314387 0.410511 -0.110638   -0.057776   -0.0165348  131 GLU   A N    
1715 C CA   . GLU   A 119 ? 0.526034 0.348486 0.455566 -0.119025   -0.0813451  -0.0160174  131 GLU   A CA   
1716 C C    . GLU   A 119 ? 0.512975 0.375228 0.487338 -0.118716   -0.0759062  -0.00453671 131 GLU   A C    
1717 O O    . GLU   A 119 ? 0.516043 0.401333 0.52916  -0.121302   -0.0658494  0.00516961  131 GLU   A O    
1718 C CB   . GLU   A 119 ? 0.523225 0.322101 0.461442 -0.132673   -0.104663   -0.0181079  131 GLU   A CB   
1719 C CG   . GLU   A 119 ? 0.562197 0.357923 0.511536 -0.142638   -0.136213   -0.0186451  131 GLU   A CG   
1720 C CD   . GLU   A 119 ? 0.600698 0.370104 0.560321 -0.158169   -0.161558   -0.0232223  131 GLU   A CD   
1721 O OE1  . GLU   A 119 ? 0.609284 0.333435 0.520851 -0.158191   -0.175642   -0.0385659  131 GLU   A OE1  
1722 O OE2  . GLU   A 119 ? 0.605548 0.400629 0.626135 -0.170532   -0.165159   -0.0105715  131 GLU   A OE2  
1723 H H    . GLU   A 119 ? 0.493684 0.325571 0.43516  -0.113248   -0.0528719  -0.0108825  131 GLU   A H    
1724 H HA   . GLU   A 119 ? 0.533363 0.342062 0.431365 -0.114525   -0.0850954  -0.0221834  131 GLU   A HA   
1725 H HB2  . GLU   A 119 ? 0.559639 0.330229 0.464667 -0.130125   -0.105823   -0.0271074  131 GLU   A HB2  
1726 H HB3  . GLU   A 119 ? 0.522457 0.334172 0.492961 -0.13771    -0.0988504  -0.0101336  131 GLU   A HB3  
1727 H HG2  . GLU   A 119 ? 0.535305 0.360292 0.521732 -0.144364   -0.135063   -0.00910337 131 GLU   A HG2  
1728 H HG3  . GLU   A 119 ? 0.575323 0.356551 0.488713 -0.136821   -0.142149   -0.0253014  131 GLU   A HG3  
1729 N N    . ILE   A 120 ? 0.517435 0.384657 0.484626 -0.114491   -0.0824078  -0.00479455 132 ILE   A N    
1730 C CA   . ILE   A 120 ? 0.469083 0.369518 0.475792 -0.110983   -0.0773037  0.00440231  132 ILE   A CA   
1731 C C    . ILE   A 120 ? 0.476642 0.379608 0.500046 -0.115173   -0.103078   0.00885524  132 ILE   A C    
1732 O O    . ILE   A 120 ? 0.531305 0.40963  0.517062 -0.114102   -0.118591   0.00376709  132 ILE   A O    
1733 C CB   . ILE   A 120 ? 0.455228 0.361048 0.443766 -0.099167   -0.0583571  0.00128408  132 ILE   A CB   
1734 C CG1  . ILE   A 120 ? 0.433837 0.338186 0.404725 -0.0943343  -0.0373351  -0.00425023 132 ILE   A CG1  
1735 C CG2  . ILE   A 120 ? 0.443899 0.378793 0.471427 -0.0934567  -0.0531989  0.00865847  132 ILE   A CG2  
1736 C CD1  . ILE   A 120 ? 0.447563 0.358153 0.406305 -0.0854472  -0.0215057  -0.0087055  132 ILE   A CD1  
1737 H H    . ILE   A 120 ? 0.530513 0.378457 0.466226 -0.112696   -0.0893937  -0.0104045  132 ILE   A H    
1738 H HA   . ILE   A 120 ? 0.458114 0.376254 0.49419  -0.112675   -0.0692011  0.010174    132 ILE   A HA   
1739 H HB   . ILE   A 120 ? 0.470646 0.359831 0.432834 -0.0979807  -0.065129   -0.00188622 132 ILE   A HB   
1740 H HG12 . ILE   A 120 ? 0.431039 0.34917  0.423072 -0.0948784  -0.0308419  -0.00014568 132 ILE   A HG12 
1741 H HG13 . ILE   A 120 ? 0.458976 0.343785 0.406041 -0.0963863  -0.0410474  -0.00882323 132 ILE   A HG13 
1742 H HG21 . ILE   A 120 ? 0.432143 0.368741 0.450279 -0.0868047  -0.0414191  0.00552825  132 ILE   A HG21 
1743 H HG22 . ILE   A 120 ? 0.429988 0.382169 0.48465  -0.0944925  -0.0473546  0.0133977   132 ILE   A HG22 
1744 H HG23 . ILE   A 120 ? 0.451277 0.38507  0.486027 -0.0946441  -0.0674586  0.0119294   132 ILE   A HG23 
1745 H HD11 . ILE   A 120 ? 0.451236 0.34895  0.391705 -0.0852831  -0.0260764  -0.0103636  132 ILE   A HD11 
1746 H HD12 . ILE   A 120 ? 0.434668 0.344672 0.383143 -0.082886   -0.0116807  -0.0124102  132 ILE   A HD12 
1747 H HD13 . ILE   A 120 ? 0.425274 0.352621 0.405129 -0.0821831  -0.0168465  -0.0060401  132 ILE   A HD13 
1748 N N    . GLU   A 121 ? 0.491438 0.426587 0.571314 -0.117683   -0.105623   0.019649    133 GLU   A N    
1749 C CA   . GLU   A 121 ? 0.496145 0.444152 0.604741 -0.118467   -0.128397   0.0263167   133 GLU   A CA   
1750 C C    . GLU   A 121 ? 0.466167 0.440812 0.599314 -0.104453   -0.111311   0.0327146   133 GLU   A C    
1751 O O    . GLU   A 121 ? 0.421931 0.423769 0.588839 -0.100183   -0.0895348  0.0379686   133 GLU   A O    
1752 C CB   . GLU   A 121 ? 0.510596 0.478105 0.675205 -0.132213   -0.14677    0.0346062   133 GLU   A CB   
1753 C CG   . GLU   A 121 ? 0.540377 0.525241 0.740653 -0.132644   -0.174969   0.0418351   133 GLU   A CG   
1754 C CD   . GLU   A 121 ? 0.554515 0.563657 0.820625 -0.148315   -0.196742   0.0507164   133 GLU   A CD   
1755 O OE1  . GLU   A 121 ? 0.532765 0.548099 0.823587 -0.159227   -0.18462    0.0541437   133 GLU   A OE1  
1756 O OE2  . GLU   A 121 ? 0.566287 0.589127 0.862748 -0.150118   -0.226364   0.0556279   133 GLU   A OE2  
1757 H H    . GLU   A 121 ? 0.466419 0.417404 0.56875  -0.117933   -0.0918257  0.0238743   133 GLU   A H    
1758 H HA   . GLU   A 121 ? 0.520818 0.44654  0.59621  -0.118176   -0.143549   0.0214417   133 GLU   A HA   
1759 H HB2  . GLU   A 121 ? 0.531927 0.478289 0.679707 -0.141496   -0.157851   0.0290229   133 GLU   A HB2  
1760 H HB3  . GLU   A 121 ? 0.491943 0.482229 0.689097 -0.131815   -0.129193   0.0414688   133 GLU   A HB3  
1761 H HG2  . GLU   A 121 ? 0.521097 0.525304 0.738458 -0.121999   -0.163053   0.0473043   133 GLU   A HG2  
1762 H HG3  . GLU   A 121 ? 0.56228  0.522827 0.724813 -0.131672   -0.192369   0.0356579   133 GLU   A HG3  
1763 N N    . LEU   A 122 ? 0.476658 0.439781 0.589226 -0.0961841  -0.121136   0.032486    134 LEU   A N    
1764 C CA   . LEU   A 122 ? 0.457367 0.43881  0.592864 -0.0821114  -0.108283   0.0375863   134 LEU   A CA   
1765 C C    . LEU   A 122 ? 0.454123 0.465071 0.647474 -0.0804558  -0.125707   0.0493086   134 LEU   A C    
1766 O O    . LEU   A 122 ? 0.591152 0.593844 0.782104 -0.0820537  -0.154449   0.0530478   134 LEU   A O    
1767 C CB   . LEU   A 122 ? 0.492882 0.446574 0.583757 -0.0737809  -0.106991   0.0342757   134 LEU   A CB   
1768 C CG   . LEU   A 122 ? 0.498239 0.46195  0.610269 -0.0590234  -0.0957175  0.0381889   134 LEU   A CG   
1769 C CD1  . LEU   A 122 ? 0.48122  0.465927 0.614965 -0.0531867  -0.0680057  0.0332626   134 LEU   A CD1  
1770 C CD2  . LEU   A 122 ? 0.527283 0.45813  0.595243 -0.054185   -0.0935739  0.0367128   134 LEU   A CD2  
1771 H H    . LEU   A 122 ? 0.498839 0.440234 0.580922 -0.0986029  -0.135642   0.0292985   134 LEU   A H    
1772 H HA   . LEU   A 122 ? 0.441928 0.435944 0.587978 -0.0787332  -0.0877731  0.0361788   134 LEU   A HA   
1773 H HB2  . LEU   A 122 ? 0.487807 0.427725 0.549145 -0.0755648  -0.0947049  0.0274834   134 LEU   A HB2  
1774 H HB3  . LEU   A 122 ? 0.514532 0.453467 0.58811  -0.0762264  -0.12641    0.0363002   134 LEU   A HB3  
1775 H HG   . LEU   A 122 ? 0.504603 0.481954 0.646178 -0.0555193  -0.108484   0.0456724   134 LEU   A HG   
1776 H HD11 . LEU   A 122 ? 0.468145 0.475796 0.634956 -0.0539811  -0.0674947  0.0377939   134 LEU   A HD11 
1777 H HD12 . LEU   A 122 ? 0.478436 0.462155 0.616576 -0.0434613  -0.0604369  0.0325028   134 LEU   A HD12 
1778 H HD13 . LEU   A 122 ? 0.471959 0.447507 0.581643 -0.0576516  -0.058364   0.0265278   134 LEU   A HD13 
1779 H HD21 . LEU   A 122 ? 0.547375 0.464367 0.598057 -0.0558632  -0.110756   0.0413048   134 LEU   A HD21 
1780 H HD22 . LEU   A 122 ? 0.519822 0.439916 0.562821 -0.0580731  -0.0816613  0.0299972   134 LEU   A HD22 
1781 H HD23 . LEU   A 122 ? 0.522277 0.456417 0.605065 -0.0452279  -0.0868113  0.0384478   134 LEU   A HD23 
1782 N N    . LEU   A 123 ? 0.465175 0.512312 0.710795 -0.0756684  -0.107635   0.0558692   135 LEU   A N    
1783 C CA   . LEU   A 123 ? 0.500201 0.584416 0.813486 -0.0739966  -0.119687   0.0689132   135 LEU   A CA   
1784 C C    . LEU   A 123 ? 0.510369 0.60201  0.837909 -0.0545282  -0.11935    0.0732204   135 LEU   A C    
1785 O O    . LEU   A 123 ? 0.500795 0.606487 0.862194 -0.0514088  -0.143479   0.0823371   135 LEU   A O    
1786 C CB   . LEU   A 123 ? 0.483037 0.603029 0.843953 -0.0748886  -0.0938203  0.0761208   135 LEU   A CB   
1787 C CG   . LEU   A 123 ? 0.50315  0.613702 0.852889 -0.0928632  -0.090837   0.0743639   135 LEU   A CG   
1788 C CD1  . LEU   A 123 ? 0.519397 0.66469  0.914498 -0.0918168  -0.0624244  0.0856643   135 LEU   A CD1  
1789 C CD2  . LEU   A 123 ? 0.551929 0.653739 0.914549 -0.111699   -0.128094   0.0758714   135 LEU   A CD2  
1790 H H    . LEU   A 123 ? 0.451511 0.501602 0.69103  -0.072456   -0.0866046  0.0526171   135 LEU   A H    
1791 H HA   . LEU   A 123 ? 0.510408 0.590946 0.829392 -0.0842791  -0.144429   0.070817    135 LEU   A HA   
1792 H HB2  . LEU   A 123 ? 0.476601 0.598922 0.827879 -0.0629086  -0.0710923  0.0731515   135 LEU   A HB2  
1793 H HB3  . LEU   A 123 ? 0.486516 0.63483  0.898178 -0.0741004  -0.100305   0.0861321   135 LEU   A HB3  
1794 H HG   . LEU   A 123 ? 0.508323 0.593029 0.810036 -0.0922029  -0.0838434  0.0647248   135 LEU   A HG   
1795 H HD11 . LEU   A 123 ? 0.500362 0.652881 0.888976 -0.0774335  -0.0414542  0.0842082   135 LEU   A HD11 
1796 H HD12 . LEU   A 123 ? 0.510047 0.643786 0.889499 -0.100948   -0.0573585  0.0843035   135 LEU   A HD12 
1797 H HD13 . LEU   A 123 ? 0.510443 0.682094 0.956968 -0.0957681  -0.0697965  0.096334    135 LEU   A HD13 
1798 H HD21 . LEU   A 123 ? 0.55741  0.630981 0.877524 -0.111984   -0.143215   0.0675113   135 LEU   A HD21 
1799 H HD22 . LEU   A 123 ? 0.544757 0.671415 0.953646 -0.111528   -0.139674   0.0845302   135 LEU   A HD22 
1800 H HD23 . LEU   A 123 ? 0.544592 0.643333 0.911576 -0.123244   -0.125773   0.0765577   135 LEU   A HD23 
1801 N N    . ASP   A 124 ? 0.555574 0.637979 0.860328 -0.040725   -0.0923944  0.0664115   136 ASP   A N    
1802 C CA   . ASP   A 124 ? 0.518533 0.601923 0.835451 -0.0209477  -0.0888315  0.0688847   136 ASP   A CA   
1803 C C    . ASP   A 124 ? 0.492736 0.551126 0.767706 -0.011817   -0.0638436  0.0560795   136 ASP   A C    
1804 O O    . ASP   A 124 ? 0.497219 0.551679 0.748912 -0.0178769  -0.0463615  0.0473462   136 ASP   A O    
1805 C CB   . ASP   A 124 ? 0.525851 0.654761 0.91286  -0.00764999 -0.0779833  0.0792115   136 ASP   A CB   
1806 C CG   . ASP   A 124 ? 0.545282 0.679432 0.960198 0.01186     -0.0885032  0.0865815   136 ASP   A CG   
1807 O OD1  . ASP   A 124 ? 0.543106 0.642003 0.919854 0.0145003   -0.105297   0.0849805   136 ASP   A OD1  
1808 O OD2  . ASP   A 124 ? 0.58795  0.760813 1.06225  0.0254478   -0.0779814  0.0951713   136 ASP   A OD2  
1809 H H    . ASP   A 124 ? 0.52094  0.595158 0.802742 -0.0434055  -0.0769833  0.0597136   136 ASP   A H    
1810 H HA   . ASP   A 124 ? 0.541953 0.610941 0.847953 -0.0211542  -0.109482   0.0721009   136 ASP   A HA   
1811 H HB2  . ASP   A 124 ? 0.518119 0.669015 0.937336 -0.0174315  -0.0871224  0.0864916   136 ASP   A HB2  
1812 H HB3  . ASP   A 124 ? 0.512647 0.648361 0.899    -0.00087778 -0.0533238  0.0747452   136 ASP   A HB3  
1813 N N    . PHE   A 125 ? 0.487054 0.529201 0.757303 0.00345646  -0.0638815  0.0556338   137 PHE   A N    
1814 C CA   . PHE   A 125 ? 0.465465 0.487316 0.71065  0.0139522   -0.0416434  0.0430463   137 PHE   A CA   
1815 C C    . PHE   A 125 ? 0.490148 0.509086 0.759691 0.0358256   -0.0397319  0.0458537   137 PHE   A C    
1816 O O    . PHE   A 125 ? 0.500534 0.519895 0.789358 0.0410376   -0.0600127  0.0582524   137 PHE   A O    
1817 C CB   . PHE   A 125 ? 0.482501 0.464653 0.67155  0.00166578  -0.0458519  0.0358421   137 PHE   A CB   
1818 C CG   . PHE   A 125 ? 0.537434 0.491667 0.704784 -0.00110394 -0.068033   0.0451585   137 PHE   A CG   
1819 C CD1  . PHE   A 125 ? 0.516006 0.443521 0.675942 0.0101962   -0.0678635  0.0473255   137 PHE   A CD1  
1820 C CD2  . PHE   A 125 ? 0.527138 0.476786 0.67548  -0.0144461  -0.0884448  0.0513809   137 PHE   A CD2  
1821 C CE1  . PHE   A 125 ? 0.564474 0.463389 0.697872 0.00814889  -0.0857992  0.0586352   137 PHE   A CE1  
1822 C CE2  . PHE   A 125 ? 0.611928 0.532682 0.729642 -0.0147666  -0.107365   0.0602662   137 PHE   A CE2  
1823 C CZ   . PHE   A 125 ? 0.588199 0.484466 0.697842 -0.0035901  -0.104839   0.0652899   137 PHE   A CZ   
1824 H H    . PHE   A 125 ? 0.500006 0.542087 0.783159 0.007243    -0.0798624  0.0633472   137 PHE   A H    
1825 H HA   . PHE   A 125 ? 0.460531 0.496567 0.710224 0.0150533   -0.0248032  0.0375371   137 PHE   A HA   
1826 H HB2  . PHE   A 125 ? 0.48883  0.45872  0.665449 0.00681074  -0.032557   0.026852    137 PHE   A HB2  
1827 H HB3  . PHE   A 125 ? 0.475272 0.460927 0.651102 -0.00974454 -0.0449145  0.0332586   137 PHE   A HB3  
1828 H HD1  . PHE   A 125 ? 0.530841 0.456898 0.700766 0.0194732   -0.0549821  0.0410052   137 PHE   A HD1  
1829 H HD2  . PHE   A 125 ? 0.529101 0.492887 0.682465 -0.0227279  -0.0894485  0.0495235   137 PHE   A HD2  
1830 H HE1  . PHE   A 125 ? 0.583225 0.462122 0.712635 0.0157287   -0.0849146  0.0618451   137 PHE   A HE1  
1831 H HE2  . PHE   A 125 ? 0.597358 0.513004 0.697186 -0.0224698  -0.121777   0.0629825   137 PHE   A HE2  
1832 H HZ   . PHE   A 125 ? 0.620067 0.496261 0.707631 -0.00302904 -0.116998   0.0736448   137 PHE   A HZ   
1833 N N    . LYS   A 126 ? 0.500072 0.514895 0.767117 0.0500225   -0.0163142  0.0335401   138 LYS   A N    
1834 C CA   . LYS   A 126 ? 0.560248 0.57709  0.85647  0.0749948   -0.00875593 0.0338316   138 LYS   A CA   
1835 C C    . LYS   A 126 ? 0.579894 0.55643  0.837885 0.0809606   0.00401417  0.015341    138 LYS   A C    
1836 O O    . LYS   A 126 ? 0.520666 0.489716 0.746927 0.0708998   0.0147967   0.00177938  138 LYS   A O    
1837 C CB   . LYS   A 126 ? 0.540399 0.603157 0.885664 0.0916512   0.0100826   0.0375586   138 LYS   A CB   
1838 H H    . LYS   A 126 ? 0.499684 0.509101 0.744702 0.04494     -0.00523475 0.0238573   138 LYS   A H    
1839 H HA   . LYS   A 126 ? 0.561965 0.572369 0.869054 0.0778222   -0.0249968  0.0437213   138 LYS   A HA   
1842 N N    . GLY   A 127 ? 0.633083 0.583836 0.897812 0.0976113   0.00069267  0.0154164   139 GLY   A N    
1843 C CA   . GLY   A 127 ? 0.669307 0.577905 0.905615 0.104074    0.010128    -0.00252193 139 GLY   A CA   
1844 C C    . GLY   A 127 ? 0.725909 0.64729  0.960691 0.119014    0.034188    -0.0213268  139 GLY   A C    
1845 O O    . GLY   A 127 ? 0.795349 0.754888 1.06228  0.1346      0.0466145   -0.0162377  139 GLY   A O    
1846 H H    . GLY   A 127 ? 0.636042 0.594742 0.925148 0.105046    -0.00908605 0.0271393   139 GLY   A H    
1847 H HA2  . GLY   A 127 ? 0.676534 0.565663 0.884609 0.0877967   0.00564594  -0.00612732 139 GLY   A HA2  
1848 H HA3  . GLY   A 127 ? 0.702107 0.591952 0.947902 0.115438    0.00476885  0.00152712  139 GLY   A HA3  
1849 N N    . GLU   A 128 ? 0.836267 0.727228 1.03293  0.112668    0.0398282   -0.0418308  140 GLU   A N    
1850 C CA   . GLU   A 128 ? 0.900131 0.787963 1.07995  0.128196    0.058667    -0.0646522  140 GLU   A CA   
1851 C C    . GLU   A 128 ? 0.925178 0.809395 1.12855  0.161085    0.0703645   -0.0687163  140 GLU   A C    
1852 O O    . GLU   A 128 ? 0.908199 0.779115 1.13697  0.168991    0.0596416   -0.0561584  140 GLU   A O    
1853 C CB   . GLU   A 128 ? 0.938459 0.783879 1.07901  0.114924    0.0530611   -0.0855709  140 GLU   A CB   
1854 O OXT  . GLU   A 128 ? 0.985837 0.879631 1.17883  0.179967    0.0905227   -0.0840413  140 GLU   A OXT  
1855 H H    . GLU   A 128 ? 0.817252 0.68805  0.996628 0.0976752   0.0305231   -0.0415933  140 GLU   A H    
1856 H HA   . GLU   A 128 ? 0.873649 0.790454 1.05268  0.126171    0.0673958   -0.0632932  140 GLU   A HA   
1859 N N    . GLY   B 1   ? 0.506691 0.723914 0.750925 0.169219    -0.137829   -0.0791569  13  GLY   B N    
1860 C CA   . GLY   B 1   ? 0.464051 0.713261 0.743115 0.145363    -0.13002    -0.0902504  13  GLY   B CA   
1861 C C    . GLY   B 1   ? 0.482599 0.700441 0.71722  0.123768    -0.119605   -0.0868768  13  GLY   B C    
1862 O O    . GLY   B 1   ? 0.459886 0.641543 0.641316 0.126521    -0.123438   -0.0782727  13  GLY   B O    
1863 H H1   . GLY   B 1   ? 0.510798 0.745516 0.78363  0.18391     -0.1424     -0.0813109  13  GLY   B H1   
1864 H H2   . GLY   B 1   ? 0.504185 0.694376 0.724267 0.166306    -0.122455   -0.0736931  13  GLY   B H2   
1865 H H3   . GLY   B 1   ? 0.521113 0.726907 0.738679 0.172425    -0.153704   -0.0755154  13  GLY   B H3   
1866 H HA2  . GLY   B 1   ? 0.474911 0.750715 0.777095 0.146427    -0.147973   -0.0969918  13  GLY   B HA2  
1867 H HA3  . GLY   B 1   ? 0.458188 0.722894 0.767546 0.142514    -0.113698   -0.093475   13  GLY   B HA3  
1868 N N    . ALA   B 2   ? 0.431338 0.66478  0.690663 0.102616    -0.107125   -0.0935467  14  ALA   B N    
1869 C CA   . ALA   B 2   ? 0.438306 0.650075 0.666606 0.0846552   -0.103411   -0.0935034  14  ALA   B CA   
1870 C C    . ALA   B 2   ? 0.4107   0.581398 0.589337 0.0839342   -0.0874922  -0.0820758  14  ALA   B C    
1871 O O    . ALA   B 2   ? 0.422825 0.571229 0.562295 0.0796701   -0.0912655  -0.0797103  14  ALA   B O    
1872 C CB   . ALA   B 2   ? 0.414625 0.645406 0.680472 0.0640592   -0.0921066  -0.100238   14  ALA   B CB   
1873 H H    . ALA   B 2   ? 0.429483 0.686949 0.726063 0.0996271   -0.100383   -0.097963   14  ALA   B H    
1874 H HA   . ALA   B 2   ? 0.441966 0.653525 0.657015 0.0868615   -0.120249   -0.0969874  14  ALA   B HA   
1875 H HB1  . ALA   B 2   ? 0.415812 0.67195  0.71272  0.0626113   -0.103544   -0.1083     14  ALA   B HB1  
1876 H HB2  . ALA   B 2   ? 0.406574 0.640065 0.684817 0.0618964   -0.0759544  -0.0967179  14  ALA   B HB2  
1877 H HB3  . ALA   B 2   ? 0.411896 0.626267 0.658309 0.0541041   -0.089581   -0.100099   14  ALA   B HB3  
1878 N N    . PRO   B 3   ? 0.390571 0.550899 0.568984 0.0857915   -0.0679648  -0.0762853  15  PRO   B N    
1879 C CA   . PRO   B 3   ? 0.438163 0.560963 0.571396 0.0817781   -0.0549442  -0.0674331  15  PRO   B CA   
1880 C C    . PRO   B 3   ? 0.451705 0.545047 0.541534 0.0931748   -0.0651096  -0.0597306  15  PRO   B C    
1881 O O    . PRO   B 3   ? 0.426455 0.496178 0.47915  0.0842197   -0.0612681  -0.0548321  15  PRO   B O    
1882 C CB   . PRO   B 3   ? 0.418993 0.539949 0.56333  0.0831379   -0.0352327  -0.0662457  15  PRO   B CB   
1883 C CG   . PRO   B 3   ? 0.435311 0.595839 0.631977 0.0800359   -0.0317131  -0.0739358  15  PRO   B CG   
1884 C CD   . PRO   B 3   ? 0.445518 0.631052 0.666657 0.0884324   -0.0553418  -0.0798853  15  PRO   B CD   
1885 H HA   . PRO   B 3   ? 0.412858 0.53186  0.538709 0.0693155   -0.0508729  -0.0678352  15  PRO   B HA   
1886 H HB2  . PRO   B 3   ? 0.446031 0.555605 0.581798 0.0957914   -0.0362265  -0.0640937  15  PRO   B HB2  
1887 H HB3  . PRO   B 3   ? 0.423914 0.530784 0.551333 0.0728699   -0.0242802  -0.063392   15  PRO   B HB3  
1888 H HG2  . PRO   B 3   ? 0.43361  0.599883 0.642987 0.0867974   -0.0220512  -0.0751785  15  PRO   B HG2  
1889 H HG3  . PRO   B 3   ? 0.416393 0.580493 0.617833 0.065726    -0.0245057  -0.0740957  15  PRO   B HG3  
1890 H HD2  . PRO   B 3   ? 0.440862 0.63305  0.671944 0.103757    -0.0614064  -0.0804795  15  PRO   B HD2  
1891 H HD3  . PRO   B 3   ? 0.41663  0.625698 0.66806  0.0795462   -0.0557282  -0.0853571  15  PRO   B HD3  
1892 N N    . ALA   B 4   ? 0.434424 0.531554 0.531001 0.112758    -0.0792685  -0.0583447  16  ALA   B N    
1893 C CA   . ALA   B 4   ? 0.493425 0.559604 0.546665 0.124498    -0.091151   -0.0481749  16  ALA   B CA   
1894 C C    . ALA   B 4   ? 0.497022 0.564946 0.524712 0.117853    -0.105676   -0.0490198  16  ALA   B C    
1895 O O    . ALA   B 4   ? 0.511267 0.549538 0.491809 0.114355    -0.104117   -0.0403171  16  ALA   B O    
1896 C CB   . ALA   B 4   ? 0.508831 0.577722 0.577579 0.150003    -0.10497    -0.0454976  16  ALA   B CB   
1897 H H    . ALA   B 4   ? 0.443354 0.562727 0.572479 0.119098    -0.0815693  -0.063151   16  ALA   B H    
1898 H HA   . ALA   B 4   ? 0.492096 0.531737 0.520045 0.11945     -0.0792205  -0.0423639  16  ALA   B HA   
1899 H HB1  . ALA   B 4   ? 0.509149 0.574681 0.591608 0.154242    -0.0931937  -0.0465012  16  ALA   B HB1  
1900 H HB2  . ALA   B 4   ? 0.505873 0.604636 0.603571 0.154743    -0.117333   -0.0518897  16  ALA   B HB2  
1901 H HB3  . ALA   B 4   ? 0.541654 0.58567  0.577953 0.157595    -0.113441   -0.0366413  16  ALA   B HB3  
1902 N N    . THR   B 5   ? 0.449823 0.552107 0.508016 0.114101    -0.117889   -0.0608219  17  THR   B N    
1903 C CA   . THR   B 5   ? 0.466907 0.571048 0.500781 0.10772     -0.130909   -0.0659274  17  THR   B CA   
1904 C C    . THR   B 5   ? 0.466195 0.552311 0.473849 0.0899915   -0.112457   -0.065803   17  THR   B C    
1905 O O    . THR   B 5   ? 0.478948 0.551058 0.446332 0.0870011   -0.115239   -0.0646607  17  THR   B O    
1906 C CB   . THR   B 5   ? 0.480704 0.624301 0.558969 0.104813    -0.14662    -0.0816536  17  THR   B CB   
1907 O OG1  . THR   B 5   ? 0.53329  0.695448 0.633029 0.123732    -0.166494   -0.0807224  17  THR   B OG1  
1908 C CG2  . THR   B 5   ? 0.520807 0.666186 0.576211 0.0962723   -0.158892   -0.0922093  17  THR   B CG2  
1909 H H    . THR   B 5   ? 0.443513 0.568332 0.538494 0.114998    -0.117491   -0.0666748  17  THR   B H    
1910 H HA   . THR   B 5   ? 0.502665 0.593843 0.50787  0.117351    -0.142119   -0.0595138  17  THR   B HA   
1911 H HB   . THR   B 5   ? 0.460857 0.616459 0.570023 0.0959774   -0.135197   -0.0860534  17  THR   B HB   
1913 H HG21 . THR   B 5   ? 0.509319 0.67836  0.593256 0.0949588   -0.171317   -0.102656   17  THR   B HG21 
1914 H HG22 . THR   B 5   ? 0.541004 0.672586 0.55983  0.103541    -0.167798   -0.0869227  17  THR   B HG22 
1915 H HG23 . THR   B 5   ? 0.498753 0.63515  0.547305 0.0848463   -0.145406   -0.0943424  17  THR   B HG23 
1916 N N    . VAL   B 6   ? 0.426273 0.514753 0.456801 0.0787193   -0.0936011  -0.0671182  18  VAL   B N    
1917 C CA   . VAL   B 6   ? 0.42238  0.498521 0.435655 0.0642034   -0.0786056  -0.0671967  18  VAL   B CA   
1918 C C    . VAL   B 6   ? 0.426522 0.472534 0.3981   0.0641739   -0.0685231  -0.0548836  18  VAL   B C    
1919 O O    . VAL   B 6   ? 0.445598 0.482056 0.389067 0.0566039   -0.0632718  -0.0543509  18  VAL   B O    
1920 C CB   . VAL   B 6   ? 0.36656  0.451066 0.410809 0.0528014   -0.0640268  -0.0695936  18  VAL   B CB   
1921 C CG1  . VAL   B 6   ? 0.411988 0.484272 0.437572 0.0414203   -0.0522574  -0.06863    18  VAL   B CG1  
1922 C CG2  . VAL   B 6   ? 0.380649 0.490406 0.466284 0.0478924   -0.0706058  -0.0803117  18  VAL   B CG2  
1923 H H    . VAL   B 6   ? 0.41762  0.516872 0.475276 0.080606    -0.0903587  -0.0679811  18  VAL   B H    
1924 H HA   . VAL   B 6   ? 0.41855  0.499197 0.424428 0.0612939   -0.0847175  -0.0736764  18  VAL   B HA   
1925 H HB   . VAL   B 6   ? 0.383143 0.463484 0.432147 0.0555628   -0.0572652  -0.0643955  18  VAL   B HB   
1926 H HG11 . VAL   B 6   ? 0.403824 0.476966 0.418038 0.0409027   -0.0574377  -0.0736323  18  VAL   B HG11 
1927 H HG12 . VAL   B 6   ? 0.40121  0.459285 0.407565 0.0411634   -0.0452095  -0.0615751  18  VAL   B HG12 
1928 H HG13 . VAL   B 6   ? 0.378848 0.457008 0.423647 0.034984    -0.0467428  -0.0703976  18  VAL   B HG13 
1929 H HG21 . VAL   B 6   ? 0.356817 0.468036 0.457521 0.0406477   -0.0604646  -0.0789878  18  VAL   B HG21 
1930 H HG22 . VAL   B 6   ? 0.375782 0.498338 0.477985 0.0546806   -0.0785553  -0.0819914  18  VAL   B HG22 
1931 H HG23 . VAL   B 6   ? 0.376082 0.487363 0.456657 0.0448268   -0.0770154  -0.0870617  18  VAL   B HG23 
1932 N N    . THR   B 7   ? 0.442066 0.472996 0.411115 0.0718312   -0.0645811  -0.0461844  19  THR   B N    
1933 C CA   . THR   B 7   ? 0.527247 0.524231 0.455984 0.0709011   -0.0570004  -0.0342728  19  THR   B CA   
1934 C C    . THR   B 7   ? 0.51939  0.503346 0.407052 0.0740746   -0.066963   -0.0284072  19  THR   B C    
1935 O O    . THR   B 7   ? 0.549901 0.516074 0.404202 0.0634964   -0.0566866  -0.0224377  19  THR   B O    
1936 C CB   . THR   B 7   ? 0.517815 0.495766 0.448911 0.0830613   -0.0556402  -0.0276617  19  THR   B CB   
1937 O OG1  . THR   B 7   ? 0.489127 0.480666 0.452604 0.078449    -0.0438758  -0.0343948  19  THR   B OG1  
1938 C CG2  . THR   B 7   ? 0.534414 0.470696 0.424252 0.0792805   -0.0473053  -0.015575   19  THR   B CG2  
1939 H H    . THR   B 7   ? 0.44428  0.485305 0.437545 0.0771989   -0.065764   -0.0482074  19  THR   B H    
1940 H HA   . THR   B 7   ? 0.49055  0.483836 0.415662 0.0594272   -0.0453276  -0.0344916  19  THR   B HA   
1941 H HB   . THR   B 7   ? 0.531346 0.514999 0.469642 0.0963674   -0.0681633  -0.0273264  19  THR   B HB   
1943 H HG21 . THR   B 7   ? 0.547537 0.470535 0.442244 0.0854239   -0.0440523  -0.0141052  19  THR   B HG21 
1944 H HG22 . THR   B 7   ? 0.529984 0.464546 0.412528 0.0652829   -0.0370195  -0.0162892  19  THR   B HG22 
1945 H HG23 . THR   B 7   ? 0.56693  0.491107 0.432824 0.0843553   -0.0554966  -0.00882162 19  THR   B HG23 
1946 N N    . GLU   B 8   ? 0.562031 0.556678 0.450995 0.0878171   -0.0870135  -0.0301069  20  GLU   B N    
1947 C CA   . GLU   B 8   ? 0.613889 0.592088 0.455759 0.0933464   -0.09886    -0.0220019  20  GLU   B CA   
1948 C C    . GLU   B 8   ? 0.618084 0.609497 0.441828 0.0819948   -0.0974298  -0.0318152  20  GLU   B C    
1949 O O    . GLU   B 8   ? 0.594062 0.567173 0.369259 0.0784614   -0.0947084  -0.0242704  20  GLU   B O    
1950 C CB   . GLU   B 8   ? 0.730905 0.721014 0.578034 0.112674    -0.126097   -0.0224092  20  GLU   B CB   
1951 C CG   . GLU   B 8   ? 0.92079  0.879022 0.741801 0.130193    -0.136056   -0.00452213 20  GLU   B CG   
1952 C CD   . GLU   B 8   ? 0.96575  0.924327 0.828333 0.140216    -0.130682   -0.00474907 20  GLU   B CD   
1953 O OE1  . GLU   B 8   ? 1.00293  0.977773 0.895285 0.160423    -0.148568   -0.00653164 20  GLU   B OE1  
1954 O OE2  . GLU   B 8   ? 0.899712 0.845773 0.765755 0.126931    -0.108114   -0.00498574 20  GLU   B OE2  
1955 H H    . GLU   B 8   ? 0.542521 0.555919 0.46165  0.093542    -0.0939333  -0.0362489  20  GLU   B H    
1956 H HA   . GLU   B 8   ? 0.653427 0.604358 0.467899 0.0920801   -0.0916836  -0.0104068  20  GLU   B HA   
1957 H HB2  . GLU   B 8   ? 0.708077 0.721789 0.595756 0.115777    -0.130151   -0.0313186  20  GLU   B HB2  
1958 H HB3  . GLU   B 8   ? 0.747443 0.744185 0.575742 0.111082    -0.134805   -0.0264129  20  GLU   B HB3  
1959 H HG2  . GLU   B 8   ? 0.92111  0.885907 0.734355 0.141497    -0.15552    -0.00355435 20  GLU   B HG2  
1960 H HG3  . GLU   B 8   ? 0.919988 0.849908 0.704165 0.123976    -0.126607   0.0060288   20  GLU   B HG3  
1961 N N    . GLN   B 9   ? 0.556178 0.577781 0.417288 0.0772741   -0.0998287  -0.0488746  21  GLN   B N    
1962 C CA   . GLN   B 9   ? 0.566911 0.60142  0.414066 0.0719759   -0.104678   -0.062389   21  GLN   B CA   
1963 C C    . GLN   B 9   ? 0.522872 0.569    0.394004 0.0583864   -0.0880547  -0.0744437  21  GLN   B C    
1964 O O    . GLN   B 9   ? 0.51781  0.571694 0.378115 0.0541698   -0.0881687  -0.0878573  21  GLN   B O    
1965 C CB   . GLN   B 9   ? 0.571005 0.6293   0.439762 0.0802041   -0.129499   -0.0753798  21  GLN   B CB   
1966 C CG   . GLN   B 9   ? 0.62014  0.674639 0.478279 0.0973701   -0.151108   -0.0647907  21  GLN   B CG   
1967 C CD   . GLN   B 9   ? 0.611525 0.69628  0.497288 0.103838    -0.177485   -0.0795436  21  GLN   B CD   
1968 O OE1  . GLN   B 9   ? 0.607479 0.713048 0.520775 0.0938069   -0.179067   -0.0982158  21  GLN   B OE1  
1969 N NE2  . GLN   B 9   ? 0.664692 0.750648 0.544896 0.120966    -0.199434   -0.0709287  21  GLN   B NE2  
1970 H H    . GLN   B 9   ? 0.536845 0.56962  0.431693 0.0774031   -0.0983121  -0.052477   21  GLN   B H    
1971 H HA   . GLN   B 9   ? 0.596471 0.616841 0.403414 0.0716923   -0.103265   -0.0564992  21  GLN   B HA   
1972 H HB2  . GLN   B 9   ? 0.544414 0.617926 0.453271 0.0771824   -0.128211   -0.0824652  21  GLN   B HB2  
1973 H HB3  . GLN   B 9   ? 0.589306 0.651544 0.440763 0.0770266   -0.133361   -0.0848747  21  GLN   B HB3  
1974 H HG2  . GLN   B 9   ? 0.64881  0.684827 0.463437 0.100195    -0.152921   -0.0558262  21  GLN   B HG2  
1975 H HG3  . GLN   B 9   ? 0.601919 0.651986 0.478432 0.101784    -0.146432   -0.0569283  21  GLN   B HG3  
1976 H HE21 . GLN   B 9   ? 0.661063 0.767359 0.559737 0.125597    -0.21712    -0.0791432  21  GLN   B HE21 
1977 H HE22 . GLN   B 9   ? 0.675068 0.741326 0.534117 0.128153    -0.197345   -0.0569867  21  GLN   B HE22 
1978 N N    . GLY   B 10  ? 0.501732 0.547446 0.402347 0.0528246   -0.0745274  -0.0701301  22  GLY   B N    
1979 C CA   . GLY   B 10  ? 0.449283 0.506388 0.377485 0.0428474   -0.0634932  -0.0798876  22  GLY   B CA   
1980 C C    . GLY   B 10  ? 0.429808 0.480624 0.333683 0.0347037   -0.0473245  -0.0796349  22  GLY   B C    
1981 O O    . GLY   B 10  ? 0.395742 0.431058 0.267791 0.0324646   -0.0392331  -0.0678816  22  GLY   B O    
1982 H H    . GLY   B 10  ? 0.493466 0.530294 0.395237 0.055808    -0.0726106  -0.0610191  22  GLY   B H    
1983 H HA2  . GLY   B 10  ? 0.444635 0.513259 0.387204 0.043376    -0.0716797  -0.0910219  22  GLY   B HA2  
1984 H HA3  . GLY   B 10  ? 0.427083 0.485067 0.377184 0.0409035   -0.0585491  -0.0759368  22  GLY   B HA3  
1985 N N    . GLU   B 11  ? 0.364303 0.427282 0.28619  0.0304075   -0.0426243  -0.0930582  23  GLU   B N    
1986 C CA   . GLU   B 11  ? 0.39762  0.462899 0.309453 0.0240113   -0.026183   -0.0955021  23  GLU   B CA   
1987 C C    . GLU   B 11  ? 0.374792 0.4406   0.309338 0.0171228   -0.0150711  -0.0867671  23  GLU   B C    
1988 O O    . GLU   B 11  ? 0.330355 0.398662 0.295266 0.0171968   -0.0191117  -0.0858392  23  GLU   B O    
1989 C CB   . GLU   B 11  ? 0.473376 0.550219 0.39817  0.0263707   -0.0287589  -0.115724   23  GLU   B CB   
1990 C CG   . GLU   B 11  ? 0.539878 0.626096 0.471748 0.0231051   -0.0123602  -0.122708   23  GLU   B CG   
1991 C CD   . GLU   B 11  ? 0.655365 0.747881 0.602579 0.0284168   -0.0160002  -0.144663   23  GLU   B CD   
1992 O OE1  . GLU   B 11  ? 0.78639  0.874747 0.734236 0.0317582   -0.031262   -0.154427   23  GLU   B OE1  
1993 O OE2  . GLU   B 11  ? 0.648868 0.750607 0.609991 0.0293135   -0.00422675 -0.15264    23  GLU   B OE2  
1994 H H    . GLU   B 11  ? 0.374996 0.445303 0.318142 0.0317421   -0.0497951  -0.101139   23  GLU   B H    
1995 H HA   . GLU   B 11  ? 0.427365 0.486153 0.308494 0.0230139   -0.0218667  -0.090717   23  GLU   B HA   
1996 H HB2  . GLU   B 11  ? 0.494094 0.569908 0.396922 0.0295699   -0.0349366  -0.121759   23  GLU   B HB2  
1997 H HB3  . GLU   B 11  ? 0.453693 0.532857 0.405298 0.0273679   -0.0359379  -0.119405   23  GLU   B HB3  
1998 H HG2  . GLU   B 11  ? 0.522336 0.610386 0.474927 0.0201618   -0.00822535 -0.116292   23  GLU   B HG2  
1999 H HG3  . GLU   B 11  ? 0.56245  0.648781 0.468816 0.0205938   -0.00343372 -0.120021   23  GLU   B HG3  
2000 N N    . ASP   B 12  ? 0.39501  0.458572 0.312833 0.00968224  -0.00122082 -0.0799143  24  ASP   B N    
2001 C CA   . ASP   B 12  ? 0.377406 0.444563 0.314392 0.00166663  0.00757409  -0.0739082  24  ASP   B CA   
2002 C C    . ASP   B 12  ? 0.392933 0.480291 0.358702 0.00205504  0.0116841   -0.0853689  24  ASP   B C    
2003 O O    . ASP   B 12  ? 0.391344 0.491525 0.351635 0.00068365  0.0218854   -0.0932525  24  ASP   B O    
2004 C CB   . ASP   B 12  ? 0.401603 0.459961 0.313137 -0.00875617 0.0198835   -0.0636805  24  ASP   B CB   
2005 C CG   . ASP   B 12  ? 0.420179 0.483348 0.351079 -0.0190504  0.0263569   -0.0590371  24  ASP   B CG   
2006 O OD1  . ASP   B 12  ? 0.36951  0.444033 0.33122  -0.0165107  0.0210073   -0.0629006  24  ASP   B OD1  
2007 O OD2  . ASP   B 12  ? 0.402219 0.456716 0.316395 -0.0305643  0.0358065   -0.0513351  24  ASP   B OD2  
2008 H H    . ASP   B 12  ? 0.41507  0.475182 0.307712 0.00865373  0.00263933  -0.0790016  24  ASP   B H    
2009 H HA   . ASP   B 12  ? 0.370247 0.432085 0.318843 0.00274395  0.00235826  -0.0694333  24  ASP   B HA   
2010 H HB2  . ASP   B 12  ? 0.422962 0.464423 0.315014 -0.00730741 0.0164257   -0.0560143  24  ASP   B HB2  
2011 H HB3  . ASP   B 12  ? 0.422978 0.488399 0.322871 -0.0109552  0.0271877   -0.0677044  24  ASP   B HB3  
2012 N N    . ILE   B 13  ? 0.390125 0.479922 0.386629 0.00485469  0.00437935  -0.0862219  25  ILE   B N    
2013 C CA   . ILE   B 13  ? 0.339624 0.443106 0.364857 0.00868733  0.00484781  -0.0958387  25  ILE   B CA   
2014 C C    . ILE   B 13  ? 0.361424 0.475478 0.404513 0.00321892  0.00900784  -0.0888566  25  ILE   B C    
2015 O O    . ILE   B 13  ? 0.367656 0.491694 0.438165 0.0084165   0.00615986  -0.0934322  25  ILE   B O    
2016 C CB   . ILE   B 13  ? 0.382174 0.478756 0.428344 0.0151235   -0.00668509 -0.101562   25  ILE   B CB   
2017 C CG1  . ILE   B 13  ? 0.362463 0.448969 0.416628 0.011328    -0.0125014  -0.0885733  25  ILE   B CG1  
2018 C CG2  . ILE   B 13  ? 0.394019 0.486317 0.426396 0.0198494   -0.0125469  -0.113754   25  ILE   B CG2  
2019 C CD1  . ILE   B 13  ? 0.375865 0.456003 0.455217 0.0134516   -0.0206963  -0.0907668  25  ILE   B CD1  
2020 H H    . ILE   B 13  ? 0.368412 0.450408 0.367552 0.00476697  -0.00050953 -0.0803327  25  ILE   B H    
2021 H HA   . ILE   B 13  ? 0.374255 0.485171 0.393246 0.0106856   0.0101685   -0.104403   25  ILE   B HA   
2022 H HB   . ILE   B 13  ? 0.368005 0.469674 0.432441 0.0183628   -0.00652305 -0.106514   25  ILE   B HB   
2023 H HG12 . ILE   B 13  ? 0.371028 0.452666 0.411114 0.0104833   -0.0136169  -0.0854956  25  ILE   B HG12 
2024 H HG13 . ILE   B 13  ? 0.361246 0.449783 0.416929 0.00762929  -0.00915953 -0.081375   25  ILE   B HG13 
2025 H HG21 . ILE   B 13  ? 0.393439 0.48162  0.442175 0.0220078   -0.0195979  -0.118552   25  ILE   B HG21 
2026 H HG22 . ILE   B 13  ? 0.399963 0.487561 0.415528 0.0183287   -0.0147285  -0.108191   25  ILE   B HG22 
2027 H HG23 . ILE   B 13  ? 0.408361 0.506695 0.432109 0.0220775   -0.00735434 -0.122623   25  ILE   B HG23 
2028 H HD11 . ILE   B 13  ? 0.37069  0.452338 0.463442 0.0158358   -0.0207323  -0.0931396  25  ILE   B HD11 
2029 H HD12 . ILE   B 13  ? 0.363945 0.439755 0.446057 0.00992981  -0.0215138  -0.0818965  25  ILE   B HD12 
2030 H HD13 . ILE   B 13  ? 0.377471 0.455778 0.45679  0.0156148   -0.0250756  -0.0987515  25  ILE   B HD13 
2031 N N    . THR   B 14  ? 0.338096 0.449851 0.366386 -0.00672517 0.0145059   -0.0790193  26  THR   B N    
2032 C CA   . THR   B 14  ? 0.33795  0.461858 0.381779 -0.0140511  0.0160615   -0.0741448  26  THR   B CA   
2033 C C    . THR   B 14  ? 0.393677 0.543526 0.449442 -0.0168217  0.0266678   -0.0820164  26  THR   B C    
2034 O O    . THR   B 14  ? 0.401668 0.553125 0.438358 -0.0190872  0.0375228   -0.0863561  26  THR   B O    
2035 C CB   . THR   B 14  ? 0.324195 0.434031 0.348656 -0.0257213  0.0176846   -0.0634465  26  THR   B CB   
2036 O OG1  . THR   B 14  ? 0.301837 0.403737 0.299993 -0.0328266  0.0277865   -0.0617037  26  THR   B OG1  
2037 C CG2  . THR   B 14  ? 0.362369 0.451576 0.379188 -0.0220355  0.00999189  -0.0572929  26  THR   B CG2  
2038 H H    . THR   B 14  ? 0.355321 0.456737 0.362993 -0.00922503 0.0163633   -0.0754259  26  THR   B H    
2039 H HA   . THR   B 14  ? 0.33339  0.458888 0.394363 -0.00965911 0.00893956  -0.0735624  26  THR   B HA   
2040 H HB   . THR   B 14  ? 0.32293  0.442951 0.35876  -0.0311381  0.0170501   -0.0621394  26  THR   B HB   
2042 H HG21 . THR   B 14  ? 0.354898 0.433839 0.358859 -0.028212   0.0118006   -0.0524109  26  THR   B HG21 
2043 H HG22 . THR   B 14  ? 0.351845 0.434203 0.361745 -0.0164703  0.00893072  -0.059061   26  THR   B HG22 
2044 H HG23 . THR   B 14  ? 0.339699 0.432963 0.371601 -0.0191408  0.00448211  -0.056788   26  THR   B HG23 
2045 N N    . SER   B 15  ? 0.313887 0.485531 0.400103 -0.0171843  0.0237173   -0.0830265  27  SER   B N    
2046 C CA   . SER   B 15  ? 0.379277 0.583382 0.485495 -0.0206181  0.0346828   -0.0910337  27  SER   B CA   
2047 C C    . SER   B 15  ? 0.362341 0.568037 0.449021 -0.0399033  0.0470874   -0.0854984  27  SER   B C    
2048 O O    . SER   B 15  ? 0.365521 0.588696 0.451051 -0.0461022  0.0628321   -0.0909762  27  SER   B O    
2049 C CB   . SER   B 15  ? 0.411937 0.640609 0.55838  -0.0153201  0.0247195   -0.0922406  27  SER   B CB   
2050 O OG   . SER   B 15  ? 0.405894 0.630831 0.57043  0.00334898  0.0168616   -0.0987481  27  SER   B OG   
2051 H H    . SER   B 15  ? 0.335537 0.503069 0.43055  -0.015136   0.0146321   -0.0785289  27  SER   B H    
2052 H HA   . SER   B 15  ? 0.375315 0.584691 0.482015 -0.0136167  0.0408322   -0.0999202  27  SER   B HA   
2053 H HB2  . SER   B 15  ? 0.395942 0.616287 0.538617 -0.0204276  0.0160713   -0.0838723  27  SER   B HB2  
2054 H HB3  . SER   B 15  ? 0.402895 0.657125 0.565939 -0.0193425  0.0320694   -0.09722    27  SER   B HB3  
2056 N N    . LYS   B 16  ? 0.404738 0.59086  0.476238 -0.0504025  0.0407797   -0.074864   28  LYS   B N    
2057 C CA   . LYS   B 16  ? 0.424629 0.604015 0.477646 -0.0702493  0.0506098   -0.0691083  28  LYS   B CA   
2058 C C    . LYS   B 16  ? 0.428011 0.577338 0.439259 -0.0726897  0.060094    -0.0636159  28  LYS   B C    
2059 O O    . LYS   B 16  ? 0.46407  0.602184 0.456475 -0.0890619  0.0700427   -0.0575384  28  LYS   B O    
2060 C CB   . LYS   B 16  ? 0.448021 0.60999  0.494697 -0.0790535  0.039638    -0.0620027  28  LYS   B CB   
2061 C CG   . LYS   B 16  ? 0.544959 0.739332 0.626364 -0.0847939  0.0317065   -0.0657843  28  LYS   B CG   
2062 C CD   . LYS   B 16  ? 0.674141 0.853805 0.747137 -0.0916336  0.0180066   -0.0612026  28  LYS   B CD   
2063 C CE   . LYS   B 16  ? 0.784564 0.994303 0.890724 -0.0842508  0.00268626  -0.0635587  28  LYS   B CE   
2064 N NZ   . LYS   B 16  ? 0.943517 1.1452   1.03953  -0.0936691  -0.0109853  -0.0605464  28  LYS   B NZ   
2065 H H    . LYS   B 16  ? 0.38624  0.561173 0.458198 -0.0455211  0.0305459   -0.0714014  28  LYS   B H    
2066 H HA   . LYS   B 16  ? 0.42783  0.632514 0.498576 -0.077199   0.0582569   -0.0734739  28  LYS   B HA   
2067 H HB2  . LYS   B 16  ? 0.457658 0.603721 0.496971 -0.0698124  0.0314611   -0.0594883  28  LYS   B HB2  
2068 H HB3  . LYS   B 16  ? 0.480212 0.625117 0.50668  -0.0902779  0.0455161   -0.0578165  28  LYS   B HB3  
2069 H HG2  . LYS   B 16  ? 0.55169  0.76316  0.642303 -0.0962429  0.0404492   -0.0684657  28  LYS   B HG2  
2070 H HG3  . LYS   B 16  ? 0.533809 0.745013 0.636292 -0.0725385  0.0267818   -0.069575   28  LYS   B HG3  
2071 H HD2  . LYS   B 16  ? 0.664991 0.819442 0.717991 -0.0853135  0.0150763   -0.0572177  28  LYS   B HD2  
2072 H HD3  . LYS   B 16  ? 0.682278 0.858316 0.748272 -0.106883   0.0218481   -0.0610598  28  LYS   B HD3  
2073 H HE2  . LYS   B 16  ? 0.78006  1.01889  0.911434 -0.0871509  0.00575735  -0.068599   28  LYS   B HE2  
2074 H HE3  . LYS   B 16  ? 0.773821 0.980137 0.883698 -0.0698147  -0.00182801 -0.0624041  28  LYS   B HE3  
2075 H HZ1  . LYS   B 16  ? 0.90208  1.10382  0.993757 -0.108021   -0.00721423 -0.0625577  28  LYS   B HZ1  
2076 H HZ2  . LYS   B 16  ? 0.895809 1.07291  0.970177 -0.0897964  -0.0128378  -0.0565684  28  LYS   B HZ2  
2077 H HZ3  . LYS   B 16  ? 0.88939  1.11029  1.00444  -0.0891539  -0.0216048  -0.0609918  28  LYS   B HZ3  
2078 N N    . LYS   B 17  ? 0.437182 0.570426 0.433099 -0.0573949  0.0548719   -0.0645759  29  LYS   B N    
2079 C CA   . LYS   B 17  ? 0.432828 0.537726 0.387934 -0.0574745  0.059206    -0.0580842  29  LYS   B CA   
2080 C C    . LYS   B 17  ? 0.43158  0.503492 0.364207 -0.0665321  0.0567199   -0.0460864  29  LYS   B C    
2081 O O    . LYS   B 17  ? 0.449924 0.500203 0.352246 -0.0760448  0.0652521   -0.0377134  29  LYS   B O    
2082 C CB   . LYS   B 17  ? 0.442187 0.558416 0.380763 -0.0647779  0.076713    -0.0603738  29  LYS   B CB   
2083 C CG   . LYS   B 17  ? 0.534088 0.678036 0.489345 -0.0519901  0.0798492   -0.0757839  29  LYS   B CG   
2084 C CD   . LYS   B 17  ? 0.554331 0.68186  0.493809 -0.0351941  0.0674146   -0.0802251  29  LYS   B CD   
2085 C CE   . LYS   B 17  ? 0.691804 0.838012 0.643051 -0.022234   0.0685177   -0.0981281  29  LYS   B CE   
2086 N NZ   . LYS   B 17  ? 0.715277 0.864475 0.702649 -0.0105043  0.0533527   -0.104351   29  LYS   B NZ   
2087 H H    . LYS   B 17  ? 0.412888 0.552244 0.42393  -0.0470185  0.0474643   -0.0689613  29  LYS   B H    
2088 H HA   . LYS   B 17  ? 0.427443 0.526119 0.379545 -0.0456274  0.0516632   -0.0605042  29  LYS   B HA   
2089 H HB2  . LYS   B 17  ? 0.471533 0.598659 0.418465 -0.0777419  0.0854661   -0.0589784  29  LYS   B HB2  
2090 H HB3  . LYS   B 17  ? 0.488566 0.582499 0.395638 -0.06534    0.078088    -0.0535634  29  LYS   B HB3  
2091 H HG2  . LYS   B 17  ? 0.492548 0.655942 0.480144 -0.0490053  0.0765955   -0.0817013  29  LYS   B HG2  
2092 H HG3  . LYS   B 17  ? 0.53257  0.686919 0.477953 -0.0581872  0.0936608   -0.0779648  29  LYS   B HG3  
2093 H HD2  . LYS   B 17  ? 0.599929 0.709033 0.507385 -0.0372866  0.068585    -0.073518   29  LYS   B HD2  
2094 H HD3  . LYS   B 17  ? 0.560542 0.679048 0.511027 -0.0307094  0.0556661   -0.0773652  29  LYS   B HD3  
2095 H HE2  . LYS   B 17  ? 0.674478 0.841262 0.635467 -0.0256737  0.0808937   -0.104286   29  LYS   B HE2  
2096 H HE3  . LYS   B 17  ? 0.687322 0.8221   0.612204 -0.0182855  0.0668553   -0.0997432  29  LYS   B HE3  
2097 H HZ1  . LYS   B 17  ? 0.681117 0.838395 0.688935 -0.0138237  0.0526908   -0.100945   29  LYS   B HZ1  
2098 H HZ2  . LYS   B 17  ? 0.693172 0.825957 0.672319 -0.00747658 0.0434918   -0.100161   29  LYS   B HZ2  
2099 H HZ3  . LYS   B 17  ? 0.699745 0.858591 0.696964 -0.00313138 0.0545023   -0.11581    29  LYS   B HZ3  
2100 N N    . ASP   B 18  ? 0.433802 0.497686 0.377861 -0.0621325  0.0452069   -0.0451793  30  ASP   B N    
2101 C CA   . ASP   B 18  ? 0.449754 0.482175 0.374772 -0.0681124  0.0431314   -0.0376747  30  ASP   B CA   
2102 C C    . ASP   B 18  ? 0.460182 0.470574 0.372752 -0.0520322  0.0343762   -0.0347825  30  ASP   B C    
2103 O O    . ASP   B 18  ? 0.416934 0.404897 0.32105  -0.0514072  0.031457    -0.0317096  30  ASP   B O    
2104 C CB   . ASP   B 18  ? 0.4281   0.469215 0.371709 -0.0773028  0.0386575   -0.0404404  30  ASP   B CB   
2105 C CG   . ASP   B 18  ? 0.425913 0.485416 0.393956 -0.0658223  0.0277686   -0.044663   30  ASP   B CG   
2106 O OD1  . ASP   B 18  ? 0.359969 0.418783 0.330638 -0.0512801  0.02367     -0.0454204  30  ASP   B OD1  
2107 O OD2  . ASP   B 18  ? 0.384629 0.460026 0.36957  -0.0720554  0.0225874   -0.0468941  30  ASP   B OD2  
2108 H H    . ASP   B 18  ? 0.410089 0.486982 0.373028 -0.0549674  0.0390866   -0.0496184  30  ASP   B H    
2109 H HA   . ASP   B 18  ? 0.472793 0.492208 0.380145 -0.0772555  0.0505591   -0.0330547  30  ASP   B HA   
2110 H HB2  . ASP   B 18  ? 0.449544 0.467765 0.378445 -0.0809668  0.0379661   -0.0374726  30  ASP   B HB2  
2111 H HB3  . ASP   B 18  ? 0.439059 0.495824 0.392424 -0.088258   0.0435032   -0.0423804  30  ASP   B HB3  
2112 N N    . ARG   B 19  ? 0.384895 0.404179 0.299241 -0.0390291  0.03009     -0.0378342  31  ARG   B N    
2113 C CA   . ARG   B 19  ? 0.393634 0.402561 0.306246 -0.0240346  0.0201271   -0.0373303  31  ARG   B CA   
2114 C C    . ARG   B 19  ? 0.417056 0.428375 0.350443 -0.020291   0.0147191   -0.0390579  31  ARG   B C    
2115 O O    . ARG   B 19  ? 0.425635 0.427518 0.359112 -0.0104471  0.00961392  -0.0378965  31  ARG   B O    
2116 C CB   . ARG   B 19  ? 0.427931 0.407115 0.309455 -0.0189752  0.0186108   -0.0287216  31  ARG   B CB   
2117 C CG   . ARG   B 19  ? 0.469499 0.447488 0.325441 -0.0193259  0.021515    -0.0262147  31  ARG   B CG   
2118 C CD   . ARG   B 19  ? 0.53309  0.475398 0.350237 -0.0160858  0.0199232   -0.0131698  31  ARG   B CD   
2119 N NE   . ARG   B 19  ? 0.563331 0.494866 0.385835 0.00123885  0.00612726  -0.0118886  31  ARG   B NE   
2120 C CZ   . ARG   B 19  ? 0.592386 0.535793 0.418448 0.0155379   -0.00692857 -0.0156659  31  ARG   B CZ   
2121 N NH1  . ARG   B 19  ? 0.539222 0.499065 0.35642  0.0153542   -0.00870929 -0.0210737  31  ARG   B NH1  
2122 N NH2  . ARG   B 19  ? 0.583282 0.523101 0.422282 0.0304381   -0.0186264  -0.0154255  31  ARG   B NH2  
2123 H H    . ARG   B 19  ? 0.402545 0.43657  0.320577 -0.0398785  0.0335891   -0.0415263  31  ARG   B H    
2124 H HA   . ARG   B 19  ? 0.392992 0.414603 0.311847 -0.0180965  0.017066    -0.0421861  31  ARG   B HA   
2125 H HB2  . ARG   B 19  ? 0.444617 0.406862 0.316309 -0.0257556  0.0229449   -0.0241369  31  ARG   B HB2  
2126 H HB3  . ARG   B 19  ? 0.427286 0.403922 0.314151 -0.00850583 0.0112061   -0.0293125  31  ARG   B HB3  
2127 H HG2  . ARG   B 19  ? 0.460895 0.452436 0.323874 -0.0113869  0.0155982   -0.0320758  31  ARG   B HG2  
2128 H HG3  . ARG   B 19  ? 0.470782 0.458172 0.32724  -0.0297257  0.0304893   -0.0275182  31  ARG   B HG3  
2129 H HD2  . ARG   B 19  ? 0.554974 0.497799 0.352753 -0.0159019  0.0210638   -0.0112685  31  ARG   B HD2  
2130 H HD3  . ARG   B 19  ? 0.550121 0.47602  0.358262 -0.025856   0.0270287   -0.00763259 31  ARG   B HD3  
2131 H HE   . ARG   B 19  ? 0.565727 0.48366  0.390783 0.00200949  0.00654358  -0.00945264 31  ARG   B HE   
2132 H HH11 . ARG   B 19  ? 0.539518 0.515278 0.367665 0.00895804  -0.00274301 -0.0277007  31  ARG   B HH11 
2133 H HH12 . ARG   B 19  ? 0.576507 0.531273 0.376224 0.0223177   -0.0163315  -0.0186553  31  ARG   B HH12 
2134 H HH21 . ARG   B 19  ? 0.589208 0.515102 0.430123 0.0322454   -0.0168594  -0.0120926  31  ARG   B HH21 
2135 H HH22 . ARG   B 19  ? 0.580394 0.532843 0.427417 0.0385401   -0.0280191  -0.0195046  31  ARG   B HH22 
2136 N N    . GLY   B 20  ? 0.405509 0.433578 0.358494 -0.0267601  0.0152913   -0.042131   32  GLY   B N    
2137 C CA   . GLY   B 20  ? 0.391772 0.420218 0.356672 -0.0256021  0.0116684   -0.0417359  32  GLY   B CA   
2138 C C    . GLY   B 20  ? 0.383853 0.421655 0.367757 -0.0153953  0.00574164  -0.0439288  32  GLY   B C    
2139 O O    . GLY   B 20  ? 0.347844 0.382025 0.336617 -0.0136699  0.00538564  -0.0420296  32  GLY   B O    
2140 H H    . GLY   B 20  ? 0.400573 0.440749 0.359017 -0.0315393  0.0179482   -0.0442513  32  GLY   B H    
2141 H HA2  . GLY   B 20  ? 0.405243 0.41804  0.358017 -0.0261945  0.0134887   -0.0395465  32  GLY   B HA2  
2142 H HA3  . GLY   B 20  ? 0.388222 0.425709 0.360386 -0.0318987  0.0115602   -0.0422504  32  GLY   B HA3  
2143 N N    . VAL   B 21  ? 0.338307 0.388187 0.332786 -0.0105999  0.00250013  -0.0489286  33  VAL   B N    
2144 C CA   . VAL   B 21  ? 0.321427 0.378258 0.334956 -0.00341723 -0.0038805  -0.0530823  33  VAL   B CA   
2145 C C    . VAL   B 21  ? 0.375103 0.433348 0.380281 0.00281104  -0.00741713 -0.0594002  33  VAL   B C    
2146 O O    . VAL   B 21  ? 0.309377 0.374349 0.309405 0.00208255  -0.00492095 -0.0647637  33  VAL   B O    
2147 C CB   . VAL   B 21  ? 0.317459 0.384982 0.353321 -0.00421246 -0.00668037 -0.055398   33  VAL   B CB   
2148 C CG1  . VAL   B 21  ? 0.323984 0.392161 0.379446 0.00016006  -0.0126993  -0.0589873  33  VAL   B CG1  
2149 C CG2  . VAL   B 21  ? 0.348994 0.416482 0.386838 -0.0104058  -0.00577934 -0.048125   33  VAL   B CG2  
2150 H H    . VAL   B 21  ? 0.351078 0.404771 0.34033  -0.0128107  0.00502051  -0.0507416  33  VAL   B H    
2151 H HA   . VAL   B 21  ? 0.330556 0.383239 0.34698  -0.00197368 -0.0044958  -0.0505741  33  VAL   B HA   
2152 H HB   . VAL   B 21  ? 0.326177 0.400286 0.362447 -0.00343144 -0.00572794 -0.0601151  33  VAL   B HB   
2153 H HG11 . VAL   B 21  ? 0.320063 0.384786 0.376393 -0.00070842 -0.0121514  -0.055199   33  VAL   B HG11 
2154 H HG12 . VAL   B 21  ? 0.324796 0.395089 0.379519 0.00382384  -0.0152696  -0.0657343  33  VAL   B HG12 
2155 H HG13 . VAL   B 21  ? 0.318674 0.388341 0.386757 -0.00019785 -0.0145871  -0.0586239  33  VAL   B HG13 
2156 H HG21 . VAL   B 21  ? 0.335113 0.407513 0.386946 -0.00890523 -0.0093597  -0.0483171  33  VAL   B HG21 
2157 H HG22 . VAL   B 21  ? 0.341865 0.411013 0.370739 -0.0146232  -0.002958   -0.0476596  33  VAL   B HG22 
2158 H HG23 . VAL   B 21  ? 0.339821 0.400558 0.373433 -0.0117455  -0.00473978 -0.0439989  33  VAL   B HG23 
2159 N N    . LEU   B 22  ? 0.343946 0.398293 0.348045 0.00934971  -0.0133547  -0.0595238  34  LEU   B N    
2160 C CA   . LEU   B 22  ? 0.352903 0.409417 0.347723 0.0162047   -0.0213691  -0.0656326  34  LEU   B CA   
2161 C C    . LEU   B 22  ? 0.351542 0.41969  0.373577 0.0192109   -0.0310182  -0.0745132  34  LEU   B C    
2162 O O    . LEU   B 22  ? 0.326914 0.398753 0.371543 0.0178649   -0.0311765  -0.0719576  34  LEU   B O    
2163 C CB   . LEU   B 22  ? 0.353837 0.397302 0.328698 0.0221809   -0.0239318  -0.0581382  34  LEU   B CB   
2164 C CG   . LEU   B 22  ? 0.366383 0.390951 0.312254 0.0172216   -0.0146135  -0.0488747  34  LEU   B CG   
2165 C CD1  . LEU   B 22  ? 0.392471 0.397749 0.32172  0.025515    -0.0183475  -0.0410452  34  LEU   B CD1  
2166 C CD2  . LEU   B 22  ? 0.39554  0.420357 0.317965 0.0120893   -0.00976514 -0.0502629  34  LEU   B CD2  
2167 H H    . LEU   B 22  ? 0.347052 0.398683 0.356656 0.00984727  -0.012838   -0.0560958  34  LEU   B H    
2168 H HA   . LEU   B 22  ? 0.359263 0.416939 0.342354 0.0146692   -0.0187654  -0.0686925  34  LEU   B HA   
2169 H HB2  . LEU   B 22  ? 0.349281 0.394178 0.338734 0.0245177   -0.024999   -0.0566099  34  LEU   B HB2  
2170 H HB3  . LEU   B 22  ? 0.369048 0.414192 0.336047 0.027629    -0.0316417  -0.0611451  34  LEU   B HB3  
2171 H HG   . LEU   B 22  ? 0.359234 0.383592 0.312805 0.0110716   -0.00836955 -0.0473458  34  LEU   B HG   
2172 H HD11 . LEU   B 22  ? 0.381674 0.389065 0.327217 0.0288636   -0.0189146  -0.0414825  34  LEU   B HD11 
2173 H HD12 . LEU   B 22  ? 0.405864 0.395346 0.31618  0.0207837   -0.01211    -0.0351949  34  LEU   B HD12 
2174 H HD13 . LEU   B 22  ? 0.404439 0.410418 0.32558  0.0324878   -0.0266029  -0.0415993  34  LEU   B HD13 
2175 H HD21 . LEU   B 22  ? 0.378519 0.415172 0.313974 0.00749569  -0.00573857 -0.0553324  34  LEU   B HD21 
2176 H HD22 . LEU   B 22  ? 0.403895 0.430522 0.317224 0.0177252   -0.0163544  -0.0532695  34  LEU   B HD22 
2177 H HD23 . LEU   B 22  ? 0.407264 0.418675 0.310834 0.00765932  -0.00386707 -0.0433739  34  LEU   B HD23 
2178 N N    . LYS   B 23  ? 0.367074 0.440426 0.385261 0.02183     -0.0379781  -0.0859348  35  LYS   B N    
2179 C CA   . LYS   B 23  ? 0.355064 0.436295 0.399052 0.0215563   -0.047022   -0.0977373  35  LYS   B CA   
2180 C C    . LYS   B 23  ? 0.388413 0.474576 0.419861 0.0272396   -0.0610016  -0.107965   35  LYS   B C    
2181 O O    . LYS   B 23  ? 0.375707 0.457757 0.373647 0.0305161   -0.0605777  -0.110203   35  LYS   B O    
2182 C CB   . LYS   B 23  ? 0.329754 0.409906 0.383564 0.0191084   -0.043083   -0.106725   35  LYS   B CB   
2183 C CG   . LYS   B 23  ? 0.328918 0.409485 0.410612 0.0172631   -0.052636   -0.119429   35  LYS   B CG   
2184 C CD   . LYS   B 23  ? 0.33547  0.409339 0.42719  0.0181376   -0.0491984  -0.129056   35  LYS   B CD   
2185 C CE   . LYS   B 23  ? 0.352026 0.418516 0.468283 0.0155346   -0.0586171  -0.142793   35  LYS   B CE   
2186 N NZ   . LYS   B 23  ? 0.35038  0.406162 0.474644 0.0199051   -0.0567068  -0.155462   35  LYS   B NZ   
2187 H H    . LYS   B 23  ? 0.377189 0.447715 0.374044 0.0230273   -0.0364681  -0.0868132  35  LYS   B H    
2188 H HA   . LYS   B 23  ? 0.343685 0.427509 0.407695 0.0193904   -0.0476357  -0.0941538  35  LYS   B HA   
2189 H HB2  . LYS   B 23  ? 0.323015 0.401025 0.383585 0.0163601   -0.0363141  -0.0996338  35  LYS   B HB2  
2190 H HB3  . LYS   B 23  ? 0.346074 0.426529 0.381551 0.0214137   -0.0408796  -0.111877   35  LYS   B HB3  
2191 H HG2  . LYS   B 23  ? 0.342757 0.426971 0.417968 0.0193543   -0.0609862  -0.127818   35  LYS   B HG2  
2192 H HG3  . LYS   B 23  ? 0.320288 0.401254 0.420462 0.0133595   -0.0530387  -0.11332    35  LYS   B HG3  
2193 H HD2  . LYS   B 23  ? 0.325437 0.396734 0.424776 0.0167231   -0.0432173  -0.1199     35  LYS   B HD2  
2194 H HD3  . LYS   B 23  ? 0.3463   0.422506 0.420299 0.0220468   -0.0462534  -0.135565   35  LYS   B HD3  
2195 H HE2  . LYS   B 23  ? 0.358397 0.429329 0.468375 0.0157491   -0.0663937  -0.151673   35  LYS   B HE2  
2196 H HE3  . LYS   B 23  ? 0.338941 0.402727 0.473605 0.0101549   -0.0591702  -0.13491    35  LYS   B HE3  
2197 H HZ1  . LYS   B 23  ? 0.364926 0.424843 0.47261  0.0246626   -0.0547654  -0.164387   35  LYS   B HZ1  
2198 H HZ2  . LYS   B 23  ? 0.34674  0.399451 0.478269 0.0207438   -0.0513054  -0.146912   35  LYS   B HZ2  
2199 H HZ3  . LYS   B 23  ? 0.365174 0.412943 0.503958 0.0172575   -0.062873   -0.163363   35  LYS   B HZ3  
2200 N N    . ILE   B 24  ? 0.375987 0.472439 0.433838 0.0272352   -0.0731136  -0.11352    36  ILE   B N    
2201 C CA   . ILE   B 24  ? 0.352159 0.456655 0.407843 0.0298226   -0.0902822  -0.128818   36  ILE   B CA   
2202 C C    . ILE   B 24  ? 0.380924 0.48872  0.471633 0.0215442   -0.0951408  -0.14283    36  ILE   B C    
2203 O O    . ILE   B 24  ? 0.386481 0.499418 0.513295 0.0146037   -0.0928733  -0.138506   36  ILE   B O    
2204 C CB   . ILE   B 24  ? 0.373178 0.489633 0.429738 0.0374307   -0.105027   -0.12516    36  ILE   B CB   
2205 C CG1  . ILE   B 24  ? 0.385616 0.490204 0.403141 0.0465066   -0.101685   -0.110592   36  ILE   B CG1  
2206 C CG2  . ILE   B 24  ? 0.446803 0.575063 0.502037 0.0393076   -0.12717    -0.14231    36  ILE   B CG2  
2207 C CD1  . ILE   B 24  ? 0.418286 0.532043 0.441559 0.0579054   -0.116466   -0.104437   36  ILE   B CD1  
2208 H H    . ILE   B 24  ? 0.354355 0.454217 0.43238  0.0248001   -0.0705625  -0.108196   36  ILE   B H    
2209 H HA   . ILE   B 24  ? 0.386214 0.485197 0.414887 0.0322421   -0.0896759  -0.133164   36  ILE   B HA   
2210 H HB   . ILE   B 24  ? 0.363064 0.487553 0.448034 0.0353349   -0.103309   -0.121263   36  ILE   B HB   
2211 H HG12 . ILE   B 24  ? 0.410378 0.50807  0.397908 0.0477391   -0.102924   -0.11369    36  ILE   B HG12 
2212 H HG13 . ILE   B 24  ? 0.377399 0.473802 0.394481 0.0438968   -0.0883058  -0.101829   36  ILE   B HG13 
2213 H HG21 . ILE   B 24  ? 0.437575 0.576305 0.498198 0.0450909   -0.138093   -0.139382   36  ILE   B HG21 
2214 H HG22 . ILE   B 24  ? 0.452028 0.572251 0.475007 0.0417111   -0.128314   -0.146557   36  ILE   B HG22 
2215 H HG23 . ILE   B 24  ? 0.42709  0.560272 0.508034 0.0321333   -0.129431   -0.152294   36  ILE   B HG23 
2216 H HD11 . ILE   B 24  ? 0.393998 0.519384 0.450961 0.0564534   -0.11523    -0.10441    36  ILE   B HD11 
2217 H HD12 . ILE   B 24  ? 0.421223 0.521835 0.421678 0.0632102   -0.111993   -0.093326   36  ILE   B HD12 
2218 H HD13 . ILE   B 24  ? 0.431002 0.552051 0.44735  0.0615662   -0.131729   -0.111836   36  ILE   B HD13 
2219 N N    . VAL   B 25  ? 0.40252  0.506759 0.481159 0.0216678   -0.103141   -0.161307   37  VAL   B N    
2220 C CA   . VAL   B 25  ? 0.447316 0.549837 0.557148 0.0134836   -0.11084    -0.177461   37  VAL   B CA   
2221 C C    . VAL   B 25  ? 0.472315 0.594057 0.601524 0.0108441   -0.130317   -0.18442    37  VAL   B C    
2222 O O    . VAL   B 25  ? 0.449004 0.579314 0.552008 0.017934    -0.144618   -0.190816   37  VAL   B O    
2223 C CB   . VAL   B 25  ? 0.512298 0.601772 0.604008 0.0152004   -0.111785   -0.198476   37  VAL   B CB   
2224 C CG1  . VAL   B 25  ? 0.515616 0.596952 0.64053  0.00590673  -0.120951   -0.216139   37  VAL   B CG1  
2225 C CG2  . VAL   B 25  ? 0.511521 0.589382 0.591729 0.0195953   -0.0925629  -0.191833   37  VAL   B CG2  
2226 H H    . VAL   B 25  ? 0.425947 0.527323 0.47538  0.0263612   -0.103109   -0.164184   37  VAL   B H    
2227 H HA   . VAL   B 25  ? 0.432757 0.530577 0.565215 0.00828731  -0.102996   -0.170371   37  VAL   B HA   
2228 H HB   . VAL   B 25  ? 0.523962 0.618104 0.588762 0.0197644   -0.119049   -0.205396   37  VAL   B HB   
2229 H HG11 . VAL   B 25  ? 0.502577 0.579088 0.653358 0.00034686  -0.114928   -0.206804   37  VAL   B HG11 
2230 H HG12 . VAL   B 25  ? 0.528427 0.620041 0.659436 0.00266042  -0.134664   -0.223821   37  VAL   B HG12 
2231 H HG13 . VAL   B 25  ? 0.535906 0.605858 0.65027  0.00842283  -0.11922    -0.229487   37  VAL   B HG13 
2232 H HG21 . VAL   B 25  ? 0.527469 0.599362 0.597312 0.0223672   -0.0918686  -0.206253   37  VAL   B HG21 
2233 H HG22 . VAL   B 25  ? 0.503425 0.585748 0.563407 0.023282    -0.0864962  -0.180938   37  VAL   B HG22 
2234 H HG23 . VAL   B 25  ? 0.49295  0.565245 0.59689  0.0158707   -0.0872876  -0.184439   37  VAL   B HG23 
2235 N N    . LYS   B 26  ? 0.426773 0.55678  0.601713 0.00034237  -0.130898   -0.182345   38  LYS   B N    
2236 C CA   . LYS   B 26  ? 0.434876 0.5906   0.637932 -0.00321564 -0.149113   -0.189983   38  LYS   B CA   
2237 C C    . LYS   B 26  ? 0.49943  0.653313 0.725721 -0.0159494  -0.162974   -0.213053   38  LYS   B C    
2238 O O    . LYS   B 26  ? 0.487792 0.663251 0.725786 -0.0174854  -0.184026   -0.226082   38  LYS   B O    
2239 C CB   . LYS   B 26  ? 0.430081 0.6052   0.672877 -0.00753512 -0.141379   -0.175232   38  LYS   B CB   
2240 C CG   . LYS   B 26  ? 0.485409 0.660651 0.706343 0.00535619  -0.129096   -0.155207   38  LYS   B CG   
2241 C CD   . LYS   B 26  ? 0.560222 0.739614 0.744184 0.021866    -0.142413   -0.154129   38  LYS   B CD   
2242 C CE   . LYS   B 26  ? 0.606777 0.81602  0.814258 0.0284384   -0.162285   -0.158298   38  LYS   B CE   
2243 N NZ   . LYS   B 26  ? 0.659381 0.862672 0.82098  0.0452483   -0.17497    -0.153662   38  LYS   B NZ   
2244 H H    . LYS   B 26  ? 0.422774 0.543895 0.612099 -0.00493579 -0.120116   -0.175907   38  LYS   B H    
2245 H HA   . LYS   B 26  ? 0.45841  0.621815 0.638586 0.00599134  -0.159193   -0.191337   38  LYS   B HA   
2246 H HB2  . LYS   B 26  ? 0.43289  0.599793 0.695596 -0.0176397  -0.131182   -0.17236    38  LYS   B HB2  
2247 H HB3  . LYS   B 26  ? 0.446028 0.642268 0.711247 -0.00939295 -0.154347   -0.182222   38  LYS   B HB3  
2248 H HG2  . LYS   B 26  ? 0.472649 0.629756 0.676993 0.00490898  -0.116135   -0.148329   38  LYS   B HG2  
2249 H HG3  . LYS   B 26  ? 0.466691 0.655721 0.714465 0.00288395  -0.123989   -0.14874    38  LYS   B HG3  
2250 H HD2  . LYS   B 26  ? 0.568489 0.737616 0.72668  0.0229148   -0.148216   -0.162499   38  LYS   B HD2  
2251 H HD3  . LYS   B 26  ? 0.546864 0.716867 0.712512 0.0279525   -0.131577   -0.141555   38  LYS   B HD3  
2252 H HE2  . LYS   B 26  ? 0.589067 0.810438 0.822473 0.0290046   -0.155163   -0.150726   38  LYS   B HE2  
2253 H HE3  . LYS   B 26  ? 0.613229 0.833686 0.840102 0.0212241   -0.174426   -0.171727   38  LYS   B HE3  
2254 H HZ1  . LYS   B 26  ? 0.64319  0.834642 0.788283 0.0508218   -0.163722   -0.141366   38  LYS   B HZ1  
2255 H HZ2  . LYS   B 26  ? 0.665778 0.858426 0.800689 0.0442735   -0.179782   -0.160734   38  LYS   B HZ2  
2256 H HZ3  . LYS   B 26  ? 0.658326 0.879915 0.833802 0.0511518   -0.189533   -0.155898   38  LYS   B HZ3  
2257 N N    . ARG   B 27  ? 0.477155 0.606117 0.715364 -0.0256376  -0.152977   -0.217657   39  ARG   B N    
2258 C CA   . ARG   B 27  ? 0.500975 0.619736 0.754685 -0.0369668  -0.166683   -0.242631   39  ARG   B CA   
2259 C C    . ARG   B 27  ? 0.596947 0.679688 0.830317 -0.0336327  -0.156217   -0.250372   39  ARG   B C    
2260 O O    . ARG   B 27  ? 0.647538 0.712981 0.885121 -0.0324332  -0.138159   -0.233545   39  ARG   B O    
2261 C CB   . ARG   B 27  ? 0.532075 0.657109 0.842386 -0.0575389  -0.167767   -0.242529   39  ARG   B CB   
2262 C CG   . ARG   B 27  ? 0.580126 0.690024 0.905522 -0.0711543  -0.183576   -0.270784   39  ARG   B CG   
2263 C CD   . ARG   B 27  ? 0.608522 0.685122 0.963215 -0.0866791  -0.169881   -0.265329   39  ARG   B CD   
2264 N NE   . ARG   B 27  ? 0.632751 0.731131 1.03657  -0.105081   -0.165119   -0.251924   39  ARG   B NE   
2265 C CZ   . ARG   B 27  ? 0.574211 0.654621 1.00413  -0.119657   -0.147935   -0.234287   39  ARG   B CZ   
2266 N NH1  . ARG   B 27  ? 0.540043 0.579529 0.95181  -0.115332   -0.134103   -0.222539   39  ARG   B NH1  
2267 N NH2  . ARG   B 27  ? 0.565693 0.67251  1.04116  -0.138593   -0.144582   -0.227467   39  ARG   B NH2  
2268 H H    . ARG   B 27  ? 0.468067 0.585006 0.704852 -0.0250574  -0.138659   -0.205611   39  ARG   B H    
2269 H HA   . ARG   B 27  ? 0.539793 0.670062 0.779583 -0.03343    -0.182194   -0.255713   39  ARG   B HA   
2270 H HB2  . ARG   B 27  ? 0.516185 0.668481 0.844276 -0.058878   -0.173282   -0.238352   39  ARG   B HB2  
2271 H HB3  . ARG   B 27  ? 0.514663 0.626038 0.834271 -0.0612436  -0.152532   -0.228593   39  ARG   B HB3  
2272 H HG2  . ARG   B 27  ? 0.600967 0.698644 0.89523  -0.0626116  -0.188732   -0.283996   39  ARG   B HG2  
2273 H HG3  . ARG   B 27  ? 0.589097 0.721902 0.936452 -0.078802   -0.197583   -0.279438   39  ARG   B HG3  
2274 H HD2  . ARG   B 27  ? 0.600615 0.66006  0.938857 -0.0785159  -0.155928   -0.252155   39  ARG   B HD2  
2275 H HD3  . ARG   B 27  ? 0.640644 0.698466 0.998247 -0.0928915  -0.178155   -0.283913   39  ARG   B HD3  
2276 H HE   . ARG   B 27  ? 0.603258 0.730416 1.02043  -0.10673    -0.174022   -0.25552    39  ARG   B HE   
2277 H HH11 . ARG   B 27  ? 0.569648 0.586168 0.966562 -0.110024   -0.138408   -0.233734   39  ARG   B HH11 
2278 H HH12 . ARG   B 27  ? 0.54053  0.576352 0.955063 -0.117114   -0.12095    -0.203804   39  ARG   B HH12 
2279 H HH21 . ARG   B 27  ? 0.572434 0.702666 1.06868  -0.145147   -0.156888   -0.239972   39  ARG   B HH21 
2280 H HH22 . ARG   B 27  ? 0.559073 0.661326 1.04435  -0.144858   -0.129829   -0.21065    39  ARG   B HH22 
2281 N N    . VAL   B 28  ? 0.61632  0.688533 0.826971 -0.0307277  -0.167938   -0.276709   40  VAL   B N    
2282 C CA   . VAL   B 28  ? 0.660098 0.702525 0.849815 -0.0226108  -0.156278   -0.28586    40  VAL   B CA   
2283 C C    . VAL   B 28  ? 0.674356 0.685896 0.901742 -0.0342659  -0.153016   -0.290823   40  VAL   B C    
2284 O O    . VAL   B 28  ? 0.64375  0.652626 0.902813 -0.0509606  -0.165666   -0.302283   40  VAL   B O    
2285 C CB   . VAL   B 28  ? 0.727929 0.768006 0.872901 -0.0127124  -0.164016   -0.311901   40  VAL   B CB   
2286 C CG1  . VAL   B 28  ? 0.804954 0.81589  0.939946 -0.00426549 -0.15017    -0.325208   40  VAL   B CG1  
2287 C CG2  . VAL   B 28  ? 0.684697 0.747062 0.785699 -0.0004693  -0.161987   -0.299404   40  VAL   B CG2  
2288 H H    . VAL   B 28  ? 0.641115 0.725532 0.849287 -0.0330386  -0.183064   -0.289619   40  VAL   B H    
2289 H HA   . VAL   B 28  ? 0.639022 0.682181 0.818365 -0.0151063  -0.143087   -0.269189   40  VAL   B HA   
2290 H HB   . VAL   B 28  ? 0.748197 0.790833 0.899339 -0.0200626  -0.17979    -0.329031   40  VAL   B HB   
2291 H HG11 . VAL   B 28  ? 0.761935 0.770018 0.902555 0.00041554  -0.136426   -0.307896   40  VAL   B HG11 
2292 H HG12 . VAL   B 28  ? 0.80405  0.796711 0.960323 -0.0112293  -0.155248   -0.338386   40  VAL   B HG12 
2293 H HG13 . VAL   B 28  ? 0.805851 0.819409 0.907728 0.00364068  -0.150077   -0.338281   40  VAL   B HG13 
2294 H HG21 . VAL   B 28  ? 0.72296  0.783538 0.792419 0.00460362  -0.16612    -0.315215   40  VAL   B HG21 
2295 H HG22 . VAL   B 28  ? 0.684689 0.764554 0.793723 -0.00352339 -0.171834   -0.291466   40  VAL   B HG22 
2296 H HG23 . VAL   B 28  ? 0.673484 0.733584 0.769685 0.0051278   -0.146749   -0.283626   40  VAL   B HG23 
2297 N N    . GLY   B 29  ? 0.647323 0.635859 0.871653 -0.0254028  -0.136492   -0.280723   41  GLY   B N    
2298 C CA   . GLY   B 29  ? 0.662701 0.614122 0.915011 -0.0310596  -0.132188   -0.281343   41  GLY   B CA   
2299 C C    . GLY   B 29  ? 0.747986 0.670441 0.990331 -0.0237132  -0.136645   -0.313274   41  GLY   B C    
2300 O O    . GLY   B 29  ? 0.70248  0.635873 0.913839 -0.0158568  -0.142368   -0.336515   41  GLY   B O    
2301 H H    . GLY   B 29  ? 0.638449 0.634831 0.842244 -0.014918   -0.128149   -0.2723     41  GLY   B H    
2302 H HA2  . GLY   B 29  ? 0.674985 0.623984 0.953138 -0.0457677  -0.13728    -0.2783     41  GLY   B HA2  
2303 H HA3  . GLY   B 29  ? 0.654888 0.601186 0.907778 -0.0252074  -0.120944   -0.263251   41  GLY   B HA3  
2304 N N    . ASN   B 30  ? 0.831152 0.713537 1.09736  -0.0250562  -0.133009   -0.313506   42  ASN   B N    
2305 C CA   . ASN   B 30  ? 0.851461 0.697705 1.11713  -0.0192982  -0.137646   -0.345349   42  ASN   B CA   
2306 C C    . ASN   B 30  ? 0.834494 0.664417 1.09356  0.00410433  -0.123337   -0.341692   42  ASN   B C    
2307 O O    . ASN   B 30  ? 0.766793 0.598383 1.03595  0.00830194  -0.114163   -0.311681   42  ASN   B O    
2308 C CB   . ASN   B 30  ? 0.855313 0.661938 1.15763  -0.0392935  -0.146811   -0.350967   42  ASN   B CB   
2309 C CG   . ASN   B 30  ? 0.902608 0.732877 1.22694  -0.0648834  -0.156147   -0.341405   42  ASN   B CG   
2310 O OD1  . ASN   B 30  ? 0.973559 0.814686 1.31557  -0.0737348  -0.148007   -0.309345   42  ASN   B OD1  
2311 N ND2  . ASN   B 30  ? 0.977874 0.819085 1.30207  -0.0767252  -0.173249   -0.369877   42  ASN   B ND2  
2312 H H    . ASN   B 30  ? 0.79512  0.670599 1.07729  -0.0291385  -0.127434   -0.292808   42  ASN   B H    
2313 H HA   . ASN   B 30  ? 0.861089 0.719197 1.10673  -0.0174941  -0.14421    -0.36677    42  ASN   B HA   
2314 H HB2  . ASN   B 30  ? 0.877607 0.661102 1.1939   -0.036813   -0.139811   -0.33462    42  ASN   B HB2  
2315 H HB3  . ASN   B 30  ? 0.914425 0.7013   1.21314  -0.038116   -0.153414   -0.377893   42  ASN   B HB3  
2316 H HD21 . ASN   B 30  ? 0.9633   0.810515 1.31     -0.093877   -0.180093   -0.368609   42  ASN   B HD21 
2317 H HD22 . ASN   B 30  ? 0.976002 0.819731 1.27752  -0.0678331  -0.178      -0.390434   42  ASN   B HD22 
2318 N N    . GLY   B 31  ? 0.922425 0.737194 1.16691  0.0190661   -0.122111   -0.373592   43  GLY   B N    
2319 C CA   . GLY   B 31  ? 0.957472 0.758242 1.20488  0.0428622   -0.109203   -0.374914   43  GLY   B CA   
2320 C C    . GLY   B 31  ? 0.944683 0.789921 1.16801  0.0569496   -0.0949538  -0.36207    43  GLY   B C    
2321 O O    . GLY   B 31  ? 1.02683  0.905974 1.23173  0.0476402   -0.0953539  -0.347076   43  GLY   B O    
2322 H H    . GLY   B 31  ? 0.938401 0.753106 1.17137  0.0147866   -0.129694   -0.396313   43  GLY   B H    
2323 H HA2  . GLY   B 31  ? 0.994226 0.776738 1.23753  0.0502151   -0.110298   -0.40226    43  GLY   B HA2  
2324 H HA3  . GLY   B 31  ? 0.954948 0.734297 1.22532  0.0424041   -0.108783   -0.357567   43  GLY   B HA3  
2325 N N    . GLU   B 32  ? 0.95627  0.80076  1.18253  0.0794078   -0.0824463  -0.369225   44  GLU   B N    
2326 C CA   . GLU   B 32  ? 0.919023 0.805597 1.12704  0.0916072   -0.0669221  -0.360435   44  GLU   B CA   
2327 C C    . GLU   B 32  ? 0.795846 0.690343 1.02788  0.0965707   -0.0622497  -0.324952   44  GLU   B C    
2328 O O    . GLU   B 32  ? 0.733279 0.66399  0.953868 0.100159    -0.0517343  -0.310933   44  GLU   B O    
2329 C CB   . GLU   B 32  ? 0.866988 0.756414 1.06114  0.110388    -0.0554692  -0.396751   44  GLU   B CB   
2330 H H    . GLU   B 32  ? 0.980635 0.797402 1.22305  0.0871563   -0.0835665  -0.380363   44  GLU   B H    
2331 H HA   . GLU   B 32  ? 0.87074  0.779396 1.0563   0.0820986   -0.0678059  -0.355512   44  GLU   B HA   
2334 N N    . GLU   B 33  ? 0.756329 0.615241 1.01887  0.0952361   -0.0708245  -0.309897   45  GLU   B N    
2335 C CA   . GLU   B 33  ? 0.724783 0.585054 1.00725  0.10199     -0.0695184  -0.278624   45  GLU   B CA   
2336 C C    . GLU   B 33  ? 0.735278 0.614684 1.00771  0.0831599   -0.0710816  -0.245793   45  GLU   B C    
2337 O O    . GLU   B 33  ? 0.686702 0.554165 0.957421 0.0638077   -0.0780748  -0.239256   45  GLU   B O    
2338 C CB   . GLU   B 33  ? 0.796246 0.604332 1.10822  0.107579    -0.0791131  -0.274156   45  GLU   B CB   
2339 H H    . GLU   B 33  ? 0.793283 0.624705 1.06271  0.0889372   -0.078498   -0.319382   45  GLU   B H    
2340 H HA   . GLU   B 33  ? 0.734238 0.616115 1.01736  0.115817    -0.0613885  -0.281902   45  GLU   B HA   
2343 N N    . THR   B 34  ? 0.675145 0.584898 0.944105 0.0886798   -0.0642832  -0.225815   46  THR   B N    
2344 C CA   . THR   B 34  ? 0.600185 0.521796 0.861595 0.073864    -0.0653499  -0.194608   46  THR   B CA   
2345 C C    . THR   B 34  ? 0.653052 0.559371 0.932904 0.0816956   -0.069652   -0.170906   46  THR   B C    
2346 O O    . THR   B 34  ? 0.68173  0.577614 0.980378 0.10081     -0.0713207  -0.179548   46  THR   B O    
2347 C CB   . THR   B 34  ? 0.51574  0.480428 0.753848 0.0720926   -0.055792   -0.191084   46  THR   B CB   
2348 O OG1  . THR   B 34  ? 0.546764 0.528656 0.795207 0.089174    -0.0493381  -0.194111   46  THR   B OG1  
2349 C CG2  . THR   B 34  ? 0.496843 0.475821 0.710757 0.0676712   -0.0526216  -0.213038   46  THR   B CG2  
2350 H H    . THR   B 34  ? 0.671239 0.595342 0.943158 0.101565    -0.058476   -0.232854   46  THR   B H    
2351 H HA   . THR   B 34  ? 0.609689 0.51967  0.86922  0.060561    -0.0696986  -0.192024   46  THR   B HA   
2352 H HB   . THR   B 34  ? 0.506292 0.477241 0.738897 0.0630113   -0.056242   -0.172102   46  THR   B HB   
2354 H HG21 . THR   B 34  ? 0.484242 0.486308 0.682138 0.0657678   -0.0466446  -0.207104   46  THR   B HG21 
2355 H HG22 . THR   B 34  ? 0.52475  0.500136 0.740267 0.077058    -0.0503733  -0.23271    46  THR   B HG22 
2356 H HG23 . THR   B 34  ? 0.50737  0.475778 0.719526 0.057302    -0.0590667  -0.213514   46  THR   B HG23 
2357 N N    . PRO   B 35  ? 0.595189 0.498998 0.869842 0.0691885   -0.072162   -0.141466   47  PRO   B N    
2358 C CA   . PRO   B 35  ? 0.662425 0.54852  0.948428 0.0770445   -0.0787891  -0.118402   47  PRO   B CA   
2359 C C    . PRO   B 35  ? 0.680547 0.599162 0.969929 0.0927247   -0.0776839  -0.113321   47  PRO   B C    
2360 O O    . PRO   B 35  ? 0.532046 0.489397 0.807859 0.0890639   -0.0694869  -0.116124   47  PRO   B O    
2361 C CB   . PRO   B 35  ? 0.613821 0.4893   0.886745 0.0565645   -0.079438   -0.0913037  47  PRO   B CB   
2362 C CG   . PRO   B 35  ? 0.640597 0.54389  0.897373 0.0413977   -0.0714955  -0.0989316  47  PRO   B CG   
2363 C CD   . PRO   B 35  ? 0.614067 0.528829 0.872094 0.0482692   -0.0694792  -0.130193   47  PRO   B CD   
2364 H HA   . PRO   B 35  ? 0.680214 0.537565 0.980625 0.0841517   -0.0840269  -0.123778   47  PRO   B HA   
2365 H HB2  . PRO   B 35  ? 0.629946 0.512271 0.897208 0.0588417   -0.0809373  -0.0740796  47  PRO   B HB2  
2366 H HB3  . PRO   B 35  ? 0.662202 0.506599 0.942675 0.0512381   -0.0833087  -0.0871834  47  PRO   B HB3  
2367 H HG2  . PRO   B 35  ? 0.59756  0.523535 0.842161 0.0405267   -0.0677762  -0.0901097  47  PRO   B HG2  
2368 H HG3  . PRO   B 35  ? 0.626227 0.51724  0.883206 0.0280163   -0.0715236  -0.0925943  47  PRO   B HG3  
2369 H HD2  . PRO   B 35  ? 0.586169 0.527741 0.830823 0.0478096   -0.064335   -0.133528   47  PRO   B HD2  
2370 H HD3  . PRO   B 35  ? 0.621022 0.522646 0.882622 0.0400888   -0.071823   -0.139351   47  PRO   B HD3  
2371 N N    . MET   B 36  ? 0.683152 0.582984 0.992264 0.109366    -0.0874578  -0.104248   48  MET   B N    
2372 C CA   . MET   B 36  ? 0.654936 0.584072 0.976287 0.125593    -0.091117   -0.0977116  48  MET   B CA   
2373 C C    . MET   B 36  ? 0.663303 0.590456 0.967122 0.11479     -0.0988999  -0.064762   48  MET   B C    
2374 O O    . MET   B 36  ? 0.636643 0.527516 0.927489 0.102444    -0.102919   -0.0467386  48  MET   B O    
2375 C CB   . MET   B 36  ? 0.715692 0.623271 1.06987  0.152239    -0.100937   -0.104814   48  MET   B CB   
2376 C CG   . MET   B 36  ? 0.708297 0.61453  1.07984  0.166001    -0.092498   -0.140594   48  MET   B CG   
2377 S SD   . MET   B 36  ? 0.690843 0.664473 1.06388  0.170598    -0.0747612  -0.16414    48  MET   B SD   
2378 C CE   . MET   B 36  ? 0.759507 0.721078 1.12832  0.174234    -0.0621578  -0.204338   48  MET   B CE   
2379 H H    . MET   B 36  ? 0.711421 0.578029 1.02798  0.110627    -0.0930508  -0.101929   48  MET   B H    
2380 H HA   . MET   B 36  ? 0.640689 0.603274 0.95974  0.12573     -0.0826532  -0.109452   48  MET   B HA   
2381 H HB2  . MET   B 36  ? 0.732508 0.602869 1.0859   0.15072     -0.109383   -0.0912006  48  MET   B HB2  
2382 H HB3  . MET   B 36  ? 0.699681 0.629815 1.06489  0.162907    -0.105368   -0.0984738  48  MET   B HB3  
2383 H HG2  . MET   B 36  ? 0.723939 0.60993  1.08388  0.154554    -0.0894827  -0.148369   48  MET   B HG2  
2384 H HG3  . MET   B 36  ? 0.746607 0.63403  1.13972  0.183663    -0.0993597  -0.143916   48  MET   B HG3  
2385 H HE1  . MET   B 36  ? 0.733728 0.728676 1.09944  0.176167    -0.0506354  -0.217661   48  MET   B HE1  
2386 H HE2  . MET   B 36  ? 0.746289 0.690421 1.09547  0.158694    -0.0628023  -0.203181   48  MET   B HE2  
2387 H HE3  . MET   B 36  ? 0.778214 0.717049 1.16669  0.189657    -0.0664261  -0.214428   48  MET   B HE3  
2388 N N    . ILE   B 37  ? 0.589707 0.554993 0.893847 0.11913     -0.100912   -0.0578577  49  ILE   B N    
2389 C CA   . ILE   B 37  ? 0.56391  0.527949 0.850056 0.111984    -0.110906   -0.0291635  49  ILE   B CA   
2390 C C    . ILE   B 37  ? 0.614265 0.533976 0.906962 0.122987    -0.127257   -0.0095713  49  ILE   B C    
2391 O O    . ILE   B 37  ? 0.663677 0.573783 0.986796 0.146101    -0.136127   -0.0176055  49  ILE   B O    
2392 C CB   . ILE   B 37  ? 0.609859 0.621105 0.904893 0.118897    -0.115103   -0.0290468  49  ILE   B CB   
2393 C CG1  . ILE   B 37  ? 0.575484 0.629226 0.865685 0.108585    -0.098185   -0.0478233  49  ILE   B CG1  
2394 C CG2  . ILE   B 37  ? 0.608622 0.615429 0.882242 0.11314     -0.129609   -0.00037377 49  ILE   B CG2  
2395 C CD1  . ILE   B 37  ? 0.640136 0.685356 0.901123 0.0884197   -0.0838282  -0.0519757  49  ILE   B CD1  
2396 H H    . ILE   B 37  ? 0.582127 0.574965 0.897247 0.125863    -0.0958075  -0.0719636  49  ILE   B H    
2397 H HA   . ILE   B 37  ? 0.570377 0.53086  0.833997 0.095388    -0.104857   -0.0223965  49  ILE   B HA   
2398 H HB   . ILE   B 37  ? 0.607101 0.62336  0.928565 0.136412    -0.120943   -0.0362101  49  ILE   B HB   
2399 H HG12 . ILE   B 37  ? 0.590924 0.658068 0.902294 0.119643    -0.0937583  -0.0646531  49  ILE   B HG12 
2400 H HG13 . ILE   B 37  ? 0.581481 0.658249 0.868609 0.1053      -0.101438   -0.0413438  49  ILE   B HG13 
2401 H HG21 . ILE   B 37  ? 0.597078 0.635737 0.873025 0.112576    -0.131249   -0.0020689  49  ILE   B HG21 
2402 H HG22 . ILE   B 37  ? 0.611442 0.602902 0.859214 0.0978833   -0.124552   0.00892016  49  ILE   B HG22 
2403 H HG23 . ILE   B 37  ? 0.641715 0.629022 0.924553 0.12518     -0.142325   0.00987132  49  ILE   B HG23 
2404 H HD11 . ILE   B 37  ? 0.61528  0.648221 0.857088 0.0779777   -0.0863491  -0.0367091  49  ILE   B HD11 
2405 H HD12 . ILE   B 37  ? 0.593422 0.663889 0.850465 0.0837617   -0.0752899  -0.0609277  49  ILE   B HD12 
2406 H HD13 . ILE   B 37  ? 0.621671 0.648695 0.887112 0.0905981   -0.0808469  -0.0611604  49  ILE   B HD13 
2407 N N    . GLY   B 38  ? 0.631459 0.525429 0.894656 0.107835    -0.131222   0.0173318   50  GLY   B N    
2408 C CA   . GLY   B 38  ? 0.744403 0.589558 1.00481  0.114509    -0.145712   0.0411589   50  GLY   B CA   
2409 C C    . GLY   B 38  ? 0.772392 0.567796 1.02812  0.100657    -0.138391   0.0436909   50  GLY   B C    
2410 O O    . GLY   B 38  ? 0.895572 0.647769 1.13549  0.0953456   -0.145473   0.0702349   50  GLY   B O    
2411 H H    . GLY   B 38  ? 0.62481  0.530775 0.867825 0.0930228   -0.124073   0.0213291   50  GLY   B H    
2412 H HA2  . GLY   B 38  ? 0.737574 0.583378 0.976035 0.108656    -0.151405   0.061019    50  GLY   B HA2  
2413 H HA3  . GLY   B 38  ? 0.745517 0.588597 1.02893  0.13438     -0.155872   0.037078    50  GLY   B HA3  
2414 N N    . ASP   B 39  ? 0.70658  0.507826 0.976066 0.0948401   -0.125497   0.0163502   51  ASP   B N    
2415 C CA   . ASP   B 39  ? 0.759961 0.520177 1.03204  0.0803113   -0.119576   0.0125882   51  ASP   B CA   
2416 C C    . ASP   B 39  ? 0.71174  0.4629   0.955111 0.0525453   -0.111171   0.0359549   51  ASP   B C    
2417 O O    . ASP   B 39  ? 0.773623 0.560208 0.995936 0.0424929   -0.103923   0.0416635   51  ASP   B O    
2418 C CB   . ASP   B 39  ? 0.68962  0.467501 0.976246 0.0774601   -0.10905    -0.0224562  51  ASP   B CB   
2419 C CG   . ASP   B 39  ? 0.705012 0.480241 1.01975  0.101538    -0.112786   -0.0507402  51  ASP   B CG   
2420 O OD1  . ASP   B 39  ? 0.693926 0.449595 1.02505  0.123356    -0.124487   -0.0443394  51  ASP   B OD1  
2421 O OD2  . ASP   B 39  ? 0.730303 0.523694 1.04973  0.0998158   -0.104083   -0.0800098  51  ASP   B OD2  
2422 H H    . ASP   B 39  ? 0.693564 0.526145 0.970715 0.0993587   -0.120654   -0.00086486 51  ASP   B H    
2423 H HA   . ASP   B 39  ? 0.774552 0.499513 1.05739  0.0898992   -0.128134   0.0178595   51  ASP   B HA   
2424 H HB2  . ASP   B 39  ? 0.663562 0.47707  0.940496 0.0723087   -0.102246   -0.0276372  51  ASP   B HB2  
2425 H HB3  . ASP   B 39  ? 0.711556 0.468387 0.996944 0.0628789   -0.105297   -0.022926   51  ASP   B HB3  
2426 N N    . LYS   B 40  ? 0.747316 0.449121 0.990828 0.0400877   -0.111155   0.0492034   52  LYS   B N    
2427 C CA   . LYS   B 40  ? 0.755032 0.446868 0.977568 0.0117813   -0.0994617  0.0689833   52  LYS   B CA   
2428 C C    . LYS   B 40  ? 0.740941 0.454844 0.978633 -0.00448122 -0.0866775  0.0431599   52  LYS   B C    
2429 O O    . LYS   B 40  ? 0.758171 0.457009 1.02051  -0.00114493 -0.0896164  0.0199501   52  LYS   B O    
2430 C CB   . LYS   B 40  ? 0.812454 0.440813 1.0302   0.00371371  -0.104124   0.0954376   52  LYS   B CB   
2431 H H    . LYS   B 40  ? 0.778991 0.451704 1.03761  0.0493332   -0.117845   0.0451724   52  LYS   B H    
2432 H HA   . LYS   B 40  ? 0.741953 0.455984 0.943623 0.00907905  -0.0969687  0.0808221   52  LYS   B HA   
2435 N N    . VAL   B 41  ? 0.726857 0.478868 0.949734 -0.0192933  -0.0741555  0.0445687   53  VAL   B N    
2436 C CA   . VAL   B 41  ? 0.686454 0.467543 0.924002 -0.0298726  -0.0655543  0.0195831   53  VAL   B CA   
2437 C C    . VAL   B 41  ? 0.617452 0.400312 0.854543 -0.0572389  -0.0518689  0.0304163   53  VAL   B C    
2438 O O    . VAL   B 41  ? 0.658182 0.446258 0.872262 -0.0659895  -0.0432403  0.0531482   53  VAL   B O    
2439 C CB   . VAL   B 41  ? 0.626426 0.456486 0.853604 -0.0184086  -0.0635818  0.0059581   53  VAL   B CB   
2440 C CG1  . VAL   B 41  ? 0.624339 0.484296 0.860185 -0.027931   -0.0563979  -0.0150173  53  VAL   B CG1  
2441 C CG2  . VAL   B 41  ? 0.7125   0.547014 0.948295 0.00575429  -0.0736653  -0.00957071 53  VAL   B CG2  
2442 H H    . VAL   B 41  ? 0.718606 0.478061 0.921592 -0.0220317  -0.0717155  0.0608816   53  VAL   B H    
2443 H HA   . VAL   B 41  ? 0.680281 0.447902 0.935732 -0.0261029  -0.0703897  0.00353966  53  VAL   B HA   
2444 H HB   . VAL   B 41  ? 0.643611 0.48348  0.852242 -0.0205227  -0.0603384  0.0211488   53  VAL   B HB   
2445 H HG11 . VAL   B 41  ? 0.626609 0.473483 0.879072 -0.0306828  -0.0594998  -0.0276192  53  VAL   B HG11 
2446 H HG12 . VAL   B 41  ? 0.609308 0.47793  0.839605 -0.0406283  -0.0485406  -0.00574112 53  VAL   B HG12 
2447 H HG13 . VAL   B 41  ? 0.589202 0.472737 0.819455 -0.0185555  -0.0568437  -0.0253734  53  VAL   B HG13 
2448 H HG21 . VAL   B 41  ? 0.653469 0.517958 0.881929 0.0103185   -0.0710263  -0.0164441  53  VAL   B HG21 
2449 H HG22 . VAL   B 41  ? 0.704007 0.521992 0.937269 0.0141086   -0.0802587  0.00348636  53  VAL   B HG22 
2450 H HG23 . VAL   B 41  ? 0.6916   0.515823 0.943079 0.00830946  -0.0760015  -0.0261346  53  VAL   B HG23 
2451 N N    . TYR   B 42  ? 0.631341 0.416682 0.894405 -0.0701901  -0.0495981  0.0110282   54  TYR   B N    
2452 C CA   . TYR   B 42  ? 0.628338 0.41916  0.904166 -0.0972829  -0.0371529  0.0167107   54  TYR   B CA   
2453 C C    . TYR   B 42  ? 0.576261 0.416183 0.866155 -0.100142   -0.0340109  -0.00682191 54  TYR   B C    
2454 O O    . TYR   B 42  ? 0.486834 0.331823 0.792053 -0.0932789  -0.0442108  -0.0327467  54  TYR   B O    
2455 C CB   . TYR   B 42  ? 0.723042 0.471829 1.02578  -0.113483   -0.0405621  0.0130012   54  TYR   B CB   
2456 C CG   . TYR   B 42  ? 0.816871 0.506318 1.10862  -0.112198   -0.0449829  0.0376112   54  TYR   B CG   
2457 C CD1  . TYR   B 42  ? 0.847853 0.506223 1.13852  -0.0878646  -0.0605381  0.0312972   54  TYR   B CD1  
2458 C CD2  . TYR   B 42  ? 0.854714 0.519617 1.13597  -0.134208   -0.0329979  0.0682809   54  TYR   B CD2  
2459 C CE1  . TYR   B 42  ? 0.909003 0.510982 1.1905   -0.0835314  -0.0670919  0.0552622   54  TYR   B CE1  
2460 C CE2  . TYR   B 42  ? 0.905584 0.511662 1.17186  -0.13263    -0.0384956  0.0942258   54  TYR   B CE2  
2461 C CZ   . TYR   B 42  ? 0.964218 0.538032 1.23108  -0.105997   -0.0570937  0.0881421   54  TYR   B CZ   
2462 O OH   . TYR   B 42  ? 1.10535  0.618625 1.3581   -0.102756   -0.0642847  0.115832    54  TYR   B OH   
2463 H H    . TYR   B 42  ? 0.620423 0.406142 0.895033 -0.0617568  -0.0563847  -0.00793092 54  TYR   B H    
2464 H HA   . TYR   B 42  ? 0.644946 0.435954 0.904385 -0.10432    -0.0284229  0.0371627   54  TYR   B HA   
2465 H HB2  . TYR   B 42  ? 0.711908 0.461357 1.02873  -0.106545   -0.049231   -0.00938831 54  TYR   B HB2  
2466 H HB3  . TYR   B 42  ? 0.720335 0.479977 1.03527  -0.132732   -0.0314585  0.0152819   54  TYR   B HB3  
2467 H HD1  . TYR   B 42  ? 0.821319 0.49712  1.11788  -0.0734896  -0.0665548  0.0104964   54  TYR   B HD1  
2468 H HD2  . TYR   B 42  ? 0.842709 0.530952 1.12681  -0.150387   -0.0205636  0.0718382   54  TYR   B HD2  
2469 H HE1  . TYR   B 42  ? 0.924433 0.507236 1.20889  -0.0649861  -0.0779494  0.0497773   54  TYR   B HE1  
2470 H HE2  . TYR   B 42  ? 0.949246 0.537453 1.20467  -0.148842   -0.0293962  0.116386    54  TYR   B HE2  
2472 N N    . VAL   B 43  ? 0.545031 0.419339 0.82765  -0.108694   -0.0205306  0.00192861  55  VAL   B N    
2473 C CA   . VAL   B 43  ? 0.557238 0.476756 0.853722 -0.108207   -0.019508   -0.018273   55  VAL   B CA   
2474 C C    . VAL   B 43  ? 0.507137 0.450785 0.824211 -0.129896   -0.00431977 -0.0122373  55  VAL   B C    
2475 O O    . VAL   B 43  ? 0.530496 0.461403 0.840087 -0.144207   0.0101686   0.0104158   55  VAL   B O    
2476 C CB   . VAL   B 43  ? 0.45792  0.405475 0.727722 -0.0886872  -0.0198304  -0.021396   55  VAL   B CB   
2477 C CG1  . VAL   B 43  ? 0.489728 0.423018 0.744525 -0.0684867  -0.0321318  -0.0289605  55  VAL   B CG1  
2478 C CG2  . VAL   B 43  ? 0.50411  0.459496 0.74888  -0.0915155  -0.00559635 0.00043962  55  VAL   B CG2  
2479 H H    . VAL   B 43  ? 0.569169 0.437848 0.837268 -0.113897   -0.0123206  0.0203359   55  VAL   B H    
2480 H HA   . VAL   B 43  ? 0.525688 0.443    0.83758  -0.106631   -0.0289743  -0.0356295  55  VAL   B HA   
2481 H HB   . VAL   B 43  ? 0.464097 0.436648 0.743953 -0.087887   -0.0210062  -0.0346883  55  VAL   B HB   
2482 H HG11 . VAL   B 43  ? 0.499005 0.408718 0.746148 -0.0670636  -0.033086   -0.0162568  55  VAL   B HG11 
2483 H HG12 . VAL   B 43  ? 0.482115 0.411665 0.750213 -0.0663164  -0.0397995  -0.045003   55  VAL   B HG12 
2484 H HG13 . VAL   B 43  ? 0.456764 0.408551 0.696622 -0.0591885  -0.0312428  -0.0308228  55  VAL   B HG13 
2485 H HG21 . VAL   B 43  ? 0.470273 0.437472 0.69787  -0.0796884  -0.00728867 -0.00194235 55  VAL   B HG21 
2486 H HG22 . VAL   B 43  ? 0.485759 0.458453 0.741217 -0.101703   0.00388824  0.00121899  55  VAL   B HG22 
2487 H HG23 . VAL   B 43  ? 0.513303 0.444314 0.747938 -0.0950236  -0.00431804 0.0155653   55  VAL   B HG23 
2488 N N    . HIS   B 44  ? 0.460636 0.441557 0.802734 -0.131015   -0.00787111 -0.0328022  56  HIS   B N    
2489 C CA   . HIS   B 44  ? 0.482594 0.505043 0.841892 -0.140084   0.00577695  -0.0315352  56  HIS   B CA   
2490 C C    . HIS   B 44  ? 0.414291 0.467037 0.754507 -0.118592   0.00288944  -0.0397899  56  HIS   B C    
2491 O O    . HIS   B 44  ? 0.456274 0.508144 0.785467 -0.102674   -0.0123482  -0.0540637  56  HIS   B O    
2492 C CB   . HIS   B 44  ? 0.487715 0.534061 0.896582 -0.156804   0.0011439   -0.0488856  56  HIS   B CB   
2493 C CG   . HIS   B 44  ? 0.556198 0.582425 0.989519 -0.184931   0.0122239   -0.037017   56  HIS   B CG   
2494 N ND1  . HIS   B 44  ? 0.554927 0.577842 0.979373 -0.198942   0.0357513   -0.0123126  56  HIS   B ND1  
2495 C CD2  . HIS   B 44  ? 0.593731 0.597633 1.05584  -0.202585   0.00361399  -0.0458792  56  HIS   B CD2  
2496 C CE1  . HIS   B 44  ? 0.615963 0.613964 1.06223  -0.224804   0.041836    -0.00394197 56  HIS   B CE1  
2497 N NE2  . HIS   B 44  ? 0.661252 0.647264 1.13288  -0.227729   0.0222261   -0.0246379  56  HIS   B NE2  
2498 H H    . HIS   B 44  ? 0.469766 0.450698 0.818648 -0.124854   -0.0198497  -0.0488075  56  HIS   B H    
2499 H HA   . HIS   B 44  ? 0.483144 0.499775 0.833899 -0.148656   0.0198401   -0.0144973  56  HIS   B HA   
2500 H HB2  . HIS   B 44  ? 0.492294 0.533478 0.905471 -0.150804   -0.0143075  -0.0646174  56  HIS   B HB2  
2501 H HB3  . HIS   B 44  ? 0.47518  0.556349 0.895928 -0.154967   0.00570344  -0.0530952  56  HIS   B HB3  
2503 H HD2  . HIS   B 44  ? 0.598729 0.598196 1.07054  -0.199201   -0.0117493  -0.0633875  56  HIS   B HD2  
2504 H HE1  . HIS   B 44  ? 0.642682 0.633472 1.08672  -0.239839   0.0581221   0.0131654   56  HIS   B HE1  
2506 N N    . TYR   B 45  ? 0.425215 0.502932 0.760136 -0.118606   0.0189955   -0.0310014  57  TYR   B N    
2507 C CA   . TYR   B 45  ? 0.4061   0.50696  0.723368 -0.0991083  0.0170976   -0.0379423  57  TYR   B CA   
2508 C C    . TYR   B 45  ? 0.347515 0.486661 0.685713 -0.101957   0.0322801   -0.0387481  57  TYR   B C    
2509 O O    . TYR   B 45  ? 0.411647 0.55612  0.761994 -0.118133   0.0509196   -0.0278567  57  TYR   B O    
2510 C CB   . TYR   B 45  ? 0.361454 0.438821 0.631623 -0.0872984  0.01908     -0.0256788  57  TYR   B CB   
2511 C CG   . TYR   B 45  ? 0.352383 0.426023 0.602392 -0.0951824  0.0390028   -0.00687744 57  TYR   B CG   
2512 C CD1  . TYR   B 45  ? 0.357899 0.454377 0.597836 -0.0891179  0.0516726   -0.00775675 57  TYR   B CD1  
2513 C CD2  . TYR   B 45  ? 0.400209 0.445781 0.640145 -0.10896    0.0455398   0.0113705   57  TYR   B CD2  
2514 C CE1  . TYR   B 45  ? 0.394996 0.48907  0.613453 -0.0967859  0.0712628   0.00636157  57  TYR   B CE1  
2515 C CE2  . TYR   B 45  ? 0.460617 0.502379 0.675451 -0.117045   0.0638473   0.0289236   57  TYR   B CE2  
2516 C CZ   . TYR   B 45  ? 0.432108 0.499992 0.636213 -0.111644   0.077669    0.0251123   57  TYR   B CZ   
2517 O OH   . TYR   B 45  ? 0.493772 0.55828  0.668991 -0.119554   0.0969273   0.0395932   57  TYR   B OH   
2518 H H    . TYR   B 45  ? 0.435759 0.514492 0.777217 -0.131028   0.032049    -0.0207343  57  TYR   B H    
2519 H HA   . TYR   B 45  ? 0.376544 0.483194 0.699978 -0.0913222  0.00334194  -0.0514587  57  TYR   B HA   
2520 H HB2  . TYR   B 45  ? 0.34764  0.434759 0.606495 -0.0746846  0.0143438   -0.0325936  57  TYR   B HB2  
2521 H HB3  . TYR   B 45  ? 0.373895 0.428526 0.637253 -0.0868543  0.01123     -0.0239457  57  TYR   B HB3  
2522 H HD1  . TYR   B 45  ? 0.341094 0.453775 0.587632 -0.0791922  0.0468843   -0.018634   57  TYR   B HD1  
2523 H HD2  . TYR   B 45  ? 0.416252 0.442682 0.663626 -0.112226   0.0369278   0.0120035   57  TYR   B HD2  
2524 H HE1  . TYR   B 45  ? 0.388128 0.496425 0.599452 -0.0916236  0.0801583   0.00341581  57  TYR   B HE1  
2525 H HE2  . TYR   B 45  ? 0.473228 0.493617 0.677687 -0.126302   0.0672844   0.043081    57  TYR   B HE2  
2527 N N    . LYS   B 46  ? 0.351437 0.513722 0.688219 -0.0843027  0.0253937   -0.0502194  58  LYS   B N    
2528 C CA   . LYS   B 46  ? 0.354491 0.54661  0.698966 -0.0778023  0.0397265   -0.050613   58  LYS   B CA   
2529 C C    . LYS   B 46  ? 0.311232 0.491466 0.613119 -0.0583051  0.0385356   -0.0491533  58  LYS   B C    
2530 O O    . LYS   B 46  ? 0.364072 0.532092 0.647523 -0.0465115  0.0218945   -0.0548058  58  LYS   B O    
2531 C CB   . LYS   B 46  ? 0.32934  0.56226  0.720915 -0.0737076  0.0302096   -0.0667572  58  LYS   B CB   
2532 H H    . LYS   B 46  ? 0.339749 0.497507 0.669622 -0.0753366  0.0114106   -0.0581324  58  LYS   B H    
2533 H HA   . LYS   B 46  ? 0.356533 0.549868 0.70339  -0.0887165  0.0563332   -0.0416549  58  LYS   B HA   
2536 N N    . GLY   B 47  ? 0.352769 0.533926 0.635583 -0.0564085  0.0573499   -0.0418134  59  GLY   B N    
2537 C CA   . GLY   B 47  ? 0.308399 0.473931 0.550305 -0.0409073  0.0562201   -0.0412879  59  GLY   B CA   
2538 C C    . GLY   B 47  ? 0.32091  0.5062   0.567547 -0.0317119  0.0719872   -0.0459283  59  GLY   B C    
2539 O O    . GLY   B 47  ? 0.38053  0.591484 0.658031 -0.0391264  0.0873992   -0.0470819  59  GLY   B O    
2540 H H    . GLY   B 47  ? 0.34578  0.536788 0.640237 -0.0656621  0.0716083   -0.0377177  59  GLY   B H    
2541 H HA2  . GLY   B 47  ? 0.309684 0.471517 0.547907 -0.0319186  0.0418435   -0.0470451  59  GLY   B HA2  
2542 H HA3  . GLY   B 47  ? 0.327232 0.472419 0.542129 -0.0455464  0.059577    -0.0326021  59  GLY   B HA3  
2543 N N    . LYS   B 48  ? 0.340629 0.512063 0.556783 -0.0166007  0.0693193   -0.0488     60  LYS   B N    
2544 C CA   . LYS   B 48  ? 0.349241 0.530928 0.565374 -0.00345753 0.0816781   -0.0555719  60  LYS   B CA   
2545 C C    . LYS   B 48  ? 0.341914 0.493325 0.514332 0.00797076  0.0757951   -0.0560638  60  LYS   B C    
2546 O O    . LYS   B 48  ? 0.318188 0.448909 0.468574 0.00723005  0.0605109   -0.0524779  60  LYS   B O    
2547 C CB   . LYS   B 48  ? 0.331244 0.54573  0.593677 0.00994091  0.0749779   -0.0666783  60  LYS   B CB   
2548 C CG   . LYS   B 48  ? 0.369909 0.580072 0.634262 0.0222701   0.0486618   -0.0708495  60  LYS   B CG   
2549 C CD   . LYS   B 48  ? 0.371819 0.619561 0.685209 0.0353904   0.0407767   -0.0809781  60  LYS   B CD   
2550 C CE   . LYS   B 48  ? 0.428908 0.670988 0.736621 0.0505291   0.0139346   -0.0841644  60  LYS   B CE   
2551 N NZ   . LYS   B 48  ? 0.465673 0.739986 0.813297 0.0699357   0.00446798  -0.0926182  60  LYS   B NZ   
2552 H H    . LYS   B 48  ? 0.331502 0.484764 0.526138 -0.014523   0.0593846   -0.0468331  60  LYS   B H    
2553 H HA   . LYS   B 48  ? 0.357313 0.543564 0.570811 -0.0105998  0.098786    -0.0529172  60  LYS   B HA   
2554 H HB2  . LYS   B 48  ? 0.353885 0.573611 0.616709 0.0200515   0.0847247   -0.0712065  60  LYS   B HB2  
2555 H HB3  . LYS   B 48  ? 0.343497 0.57992  0.637149 0.00058278  0.0793741   -0.067266   60  LYS   B HB3  
2556 H HG2  . LYS   B 48  ? 0.35162  0.556193 0.614672 0.0130514   0.0396087   -0.0683125  60  LYS   B HG2  
2557 H HG3  . LYS   B 48  ? 0.363676 0.552509 0.598676 0.031       0.0454399   -0.0697608  60  LYS   B HG3  
2558 H HD2  . LYS   B 48  ? 0.393439 0.648988 0.712946 0.0446272   0.0522146   -0.0840672  60  LYS   B HD2  
2559 H HD3  . LYS   B 48  ? 0.380929 0.650772 0.725515 0.0244519   0.0424282   -0.0826845  60  LYS   B HD3  
2560 H HE2  . LYS   B 48  ? 0.414457 0.657253 0.725432 0.0418106   0.00301349  -0.0844088  60  LYS   B HE2  
2561 H HE3  . LYS   B 48  ? 0.426404 0.641217 0.698569 0.0565784   0.0124042   -0.0803059  60  LYS   B HE3  
2562 H HZ1  . LYS   B 48  ? 0.449545 0.750546 0.831163 0.0638406   0.00024113  -0.0970478  60  LYS   B HZ1  
2563 H HZ2  . LYS   B 48  ? 0.461485 0.740499 0.815044 0.0770165   0.0174072   -0.094142   60  LYS   B HZ2  
2564 H HZ3  . LYS   B 48  ? 0.4615   0.724416 0.794119 0.0811733   -0.0105025  -0.0920905  60  LYS   B HZ3  
2565 N N    . LEU   B 49  ? 0.341457 0.490293 0.502345 0.0175066   0.0897758   -0.0616076  61  LEU   B N    
2566 C CA   . LEU   B 49  ? 0.396006 0.515562 0.521584 0.0288545   0.0847369   -0.0645457  61  LEU   B CA   
2567 C C    . LEU   B 49  ? 0.398975 0.523331 0.544491 0.0454515   0.0667854   -0.0686794  61  LEU   B C    
2568 O O    . LEU   B 49  ? 0.430351 0.585149 0.61789  0.0524226   0.0637147   -0.0733325  61  LEU   B O    
2569 C CB   . LEU   B 49  ? 0.415154 0.527056 0.52388  0.0359078   0.104365    -0.0723925  61  LEU   B CB   
2570 C CG   . LEU   B 49  ? 0.469983 0.581375 0.55633  0.0207931   0.124824    -0.0697349  61  LEU   B CG   
2571 C CD1  . LEU   B 49  ? 0.494211 0.594331 0.556797 0.0288754   0.144115    -0.0814033  61  LEU   B CD1  
2572 C CD2  . LEU   B 49  ? 0.461677 0.549158 0.510065 0.00571942  0.115456    -0.0591523  61  LEU   B CD2  
2573 H H    . LEU   B 49  ? 0.363234 0.528242 0.538968 0.0164552   0.103716    -0.0642745  61  LEU   B H    
2574 H HA   . LEU   B 49  ? 0.38566  0.487087 0.486151 0.0211607   0.0787585   -0.0590489  61  LEU   B HA   
2575 H HB2  . LEU   B 49  ? 0.427262 0.557167 0.563373 0.0469777   0.108785    -0.078963   61  LEU   B HB2  
2576 H HB3  . LEU   B 49  ? 0.43416  0.522097 0.518278 0.041305    0.0992069   -0.0740918  61  LEU   B HB3  
2577 H HG   . LEU   B 49  ? 0.454872 0.589215 0.565993 0.014698    0.132313    -0.0674206  61  LEU   B HG   
2578 H HD11 . LEU   B 49  ? 0.499605 0.616903 0.589322 0.0404446   0.151414    -0.0891087  61  LEU   B HD11 
2579 H HD12 . LEU   B 49  ? 0.511142 0.611465 0.555596 0.0181048   0.156417    -0.0790356  61  LEU   B HD12 
2580 H HD13 . LEU   B 49  ? 0.504728 0.579919 0.543031 0.0331777   0.13675     -0.0839868  61  LEU   B HD13 
2581 H HD21 . LEU   B 49  ? 0.445897 0.539544 0.508555 0.00056997  0.105355    -0.0526831  61  LEU   B HD21 
2582 H HD22 . LEU   B 49  ? 0.467715 0.535393 0.495374 0.00983561  0.107951    -0.061577   61  LEU   B HD22 
2583 H HD23 . LEU   B 49  ? 0.479958 0.565577 0.510261 -0.00303436 0.12674     -0.0565446  61  LEU   B HD23 
2584 N N    . SER   B 50  ? 0.433977 0.529791 0.5496   0.0508029   0.054101    -0.0663817  62  SER   B N    
2585 C CA   . SER   B 50  ? 0.49463  0.591257 0.620748 0.0657986   0.0361619   -0.0674073  62  SER   B CA   
2586 C C    . SER   B 50  ? 0.487038 0.59413  0.636687 0.0871138   0.0393548   -0.0748387  62  SER   B C    
2587 O O    . SER   B 50  ? 0.595202 0.717537 0.768507 0.100477    0.0235497   -0.0760499  62  SER   B O    
2588 C CB   . SER   B 50  ? 0.532768 0.595012 0.619068 0.0657228   0.0257381   -0.0619065  62  SER   B CB   
2589 O OG   . SER   B 50  ? 0.645346 0.678038 0.701984 0.0672431   0.0362774   -0.0631108  62  SER   B OG   
2590 H H    . SER   B 50  ? 0.444203 0.520409 0.532246 0.0445572   0.0563665   -0.0637646  62  SER   B H    
2591 H HA   . SER   B 50  ? 0.467974 0.58309  0.614543 0.0621555   0.0280406   -0.0670648  62  SER   B HA   
2592 H HB2  . SER   B 50  ? 0.550554 0.612027 0.640105 0.0757818   0.0141939   -0.0612999  62  SER   B HB2  
2593 H HB3  . SER   B 50  ? 0.532518 0.593541 0.610266 0.0541021   0.0230999   -0.0584355  62  SER   B HB3  
2595 N N    . ASN   B 51  ? 0.510315 0.607636 0.650639 0.0909797   0.0581395   -0.080405   63  ASN   B N    
2596 C CA   . ASN   B 51  ? 0.598227 0.708893 0.764724 0.110737    0.0690268   -0.0907462  63  ASN   B CA   
2597 C C    . ASN   B 51  ? 0.705401 0.869711 0.930841 0.113177    0.0726603   -0.0960539  63  ASN   B C    
2598 O O    . ASN   B 51  ? 0.668663 0.853338 0.928128 0.133619    0.0760937   -0.10498    63  ASN   B O    
2599 C CB   . ASN   B 51  ? 0.505683 0.602884 0.650364 0.106968    0.0944804   -0.0983457  63  ASN   B CB   
2600 H H    . ASN   B 51  ? 0.526272 0.606452 0.640266 0.0806518   0.0649968   -0.0785416  63  ASN   B H    
2601 H HA   . ASN   B 51  ? 0.594461 0.689239 0.756245 0.125898    0.0590538   -0.0908704  63  ASN   B HA   
2604 N N    . GLY   B 52  ? 0.731389 0.918872 0.972274 0.0924639   0.0724346   -0.09133    64  GLY   B N    
2605 C CA   . GLY   B 52  ? 0.684103 0.921777 0.983347 0.090115    0.073564    -0.0960031  64  GLY   B CA   
2606 C C    . GLY   B 52  ? 0.712451 0.974556 1.02899  0.0760598   0.103273    -0.0989016  64  GLY   B C    
2607 O O    . GLY   B 52  ? 0.713837 1.01776  1.07914  0.0669532   0.107355    -0.101205   64  GLY   B O    
2608 H H    . GLY   B 52  ? 0.698225 0.869269 0.913802 0.0790395   0.0717504   -0.0853213  64  GLY   B H    
2609 H HA2  . GLY   B 52  ? 0.680219 0.922326 0.984361 0.0802176   0.0608809   -0.0918761  64  GLY   B HA2  
2610 H HA3  . GLY   B 52  ? 0.701637 0.954342 1.02618  0.107488    0.066487    -0.10163    64  GLY   B HA3  
2611 N N    . LYS   B 53  ? 0.659298 0.895296 0.934199 0.0718402   0.123666    -0.0986201  65  LYS   B N    
2612 C CA   . LYS   B 53  ? 0.68369  0.938284 0.962635 0.0565853   0.153279    -0.0994062  65  LYS   B CA   
2613 C C    . LYS   B 53  ? 0.714046 0.952445 0.963235 0.0288159   0.154392    -0.0847176  65  LYS   B C    
2614 O O    . LYS   B 53  ? 0.653517 0.867939 0.881789 0.0221941   0.133144    -0.0758064  65  LYS   B O    
2615 C CB   . LYS   B 53  ? 0.598209 0.83964  0.852361 0.0692653   0.175989    -0.110358   65  LYS   B CB   
2616 H H    . LYS   B 53  ? 0.687248 0.893109 0.92912  0.07756     0.119071    -0.0979186  65  LYS   B H    
2617 H HA   . LYS   B 53  ? 0.65836  0.949274 0.982074 0.0569159   0.158321    -0.103481   65  LYS   B HA   
2620 N N    . LYS   B 54  ? 0.591046 0.845162 0.841519 0.0126504   0.180623    -0.0818127  66  LYS   B N    
2621 C CA   . LYS   B 54  ? 0.574656 0.811672 0.794345 -0.0123542  0.185673    -0.0661312  66  LYS   B CA   
2622 C C    . LYS   B 54  ? 0.607389 0.852253 0.857784 -0.0263156  0.167825    -0.0568861  66  LYS   B C    
2623 O O    . LYS   B 54  ? 0.738991 0.961119 0.963617 -0.0433283  0.164383    -0.042857   66  LYS   B O    
2624 C CB   . LYS   B 54  ? 0.575833 0.767694 0.728517 -0.0114032  0.18065     -0.0621962  66  LYS   B CB   
2625 H H    . LYS   B 54  ? 0.625704 0.902522 0.897523 0.0180537   0.196575    -0.0896114  66  LYS   B H    
2626 H HA   . LYS   B 54  ? 0.60444  0.856257 0.827581 -0.0206813  0.207577    -0.0656976  66  LYS   B HA   
2629 N N    . PHE   B 55  ? 0.581649 0.860458 0.88951  -0.0205761  0.157924    -0.0651324  67  PHE   B N    
2630 C CA   . PHE   B 55  ? 0.573247 0.857784 0.909849 -0.0333441  0.139223    -0.0607133  67  PHE   B CA   
2631 C C    . PHE   B 55  ? 0.490077 0.763784 0.817986 -0.0608585  0.151876    -0.0457849  67  PHE   B C    
2632 O O    . PHE   B 55  ? 0.559753 0.853048 0.900177 -0.073329   0.178197    -0.0428213  67  PHE   B O    
2633 C CB   . PHE   B 55  ? 0.569758 0.902188 0.973451 -0.025958   0.13313     -0.0738318  67  PHE   B CB   
2634 C CG   . PHE   B 55  ? 0.722072 1.06101  1.15589  -0.0345529  0.1074      -0.0753312  67  PHE   B CG   
2635 C CD1  . PHE   B 55  ? 0.828536 1.17942  1.29299  -0.0606359  0.112992    -0.0707899  67  PHE   B CD1  
2636 C CD2  . PHE   B 55  ? 0.80418  1.13603  1.23451  -0.017199   0.0779738   -0.0821896  67  PHE   B CD2  
2637 C CE1  . PHE   B 55  ? 0.851964 1.20624  1.3433   -0.068581   0.0887987   -0.0757752  67  PHE   B CE1  
2638 C CE2  . PHE   B 55  ? 0.834772 1.17295  1.28867  -0.024606   0.0545518   -0.0866716  67  PHE   B CE2  
2639 C CZ   . PHE   B 55  ? 0.818493 1.16794  1.30399  -0.0500084  0.0594948   -0.0849751  67  PHE   B CZ   
2640 H H    . PHE   B 55  ? 0.586199 0.885385 0.916462 -0.00797485 0.162432    -0.0747342  67  PHE   B H    
2641 H HA   . PHE   B 55  ? 0.539655 0.802062 0.856077 -0.0273705  0.120475    -0.0595724  67  PHE   B HA   
2642 H HB2  . PHE   B 55  ? 0.597817 0.933868 1.0021   -0.006667   0.127053    -0.0814665  67  PHE   B HB2  
2643 H HB3  . PHE   B 55  ? 0.611436 0.969365 1.04026  -0.0340531  0.152603    -0.0750346  67  PHE   B HB3  
2644 H HD1  . PHE   B 55  ? 0.824413 1.17878  1.28907  -0.0737345  0.133705    -0.0644048  67  PHE   B HD1  
2645 H HD2  . PHE   B 55  ? 0.783445 1.10473  1.19325  -0.00073473 0.074227    -0.0840592  67  PHE   B HD2  
2646 H HE1  . PHE   B 55  ? 0.845511 1.20416  1.35729  -0.0872415  0.0928027   -0.0731126  67  PHE   B HE1  
2647 H HE2  . PHE   B 55  ? 0.813114 1.14592  1.25956  -0.0129406  0.0354992   -0.0910964  67  PHE   B HE2  
2648 H HZ   . PHE   B 55  ? 0.823223 1.17433  1.32334  -0.0554213  0.0431887   -0.0898166  67  PHE   B HZ   
2649 N N    . ASP   B 56  ? 0.446291 0.687746 0.752477 -0.0698771  0.134168    -0.0359422  68  ASP   B N    
2650 C CA   . ASP   B 56  ? 0.484343 0.704265 0.774737 -0.092975   0.142572    -0.0189427  68  ASP   B CA   
2651 C C    . ASP   B 56  ? 0.585377 0.797375 0.902797 -0.102481   0.121623    -0.0186844  68  ASP   B C    
2652 O O    . ASP   B 56  ? 0.524862 0.728063 0.840208 -0.0894358  0.0978152   -0.0269751  68  ASP   B O    
2653 C CB   . ASP   B 56  ? 0.508707 0.688446 0.7349   -0.0926306  0.143398    -0.00563167 68  ASP   B CB   
2654 C CG   . ASP   B 56  ? 0.61592  0.763142 0.82279  -0.109802   0.138621    0.0130971   68  ASP   B CG   
2655 O OD1  . ASP   B 56  ? 0.670357 0.823252 0.896191 -0.12993    0.154098    0.0227268   68  ASP   B OD1  
2656 O OD2  . ASP   B 56  ? 0.538336 0.655542 0.716824 -0.10322    0.11897     0.017806    68  ASP   B OD2  
2657 H H    . ASP   B 56  ? 0.446083 0.677614 0.746789 -0.0604198  0.116125    -0.0398297  68  ASP   B H    
2658 H HA   . ASP   B 56  ? 0.517026 0.754657 0.822966 -0.103726   0.161968    -0.0164684  68  ASP   B HA   
2659 H HB2  . ASP   B 56  ? 0.541642 0.726088 0.751066 -0.0931303  0.160969    -0.00436505 68  ASP   B HB2  
2660 H HB3  . ASP   B 56  ? 0.510444 0.679576 0.721391 -0.0794502  0.12914     -0.0108147  68  ASP   B HB3  
2661 N N    . SER   B 57  ? 0.563854 0.775622 0.903034 -0.126204   0.131694    -0.00925094 69  SER   B N    
2662 C CA   . SER   B 57  ? 0.620413 0.821584 0.987763 -0.137616   0.113488    -0.0112011  69  SER   B CA   
2663 C C    . SER   B 57  ? 0.590933 0.755266 0.941002 -0.159955   0.121512    0.00936287  69  SER   B C    
2664 O O    . SER   B 57  ? 0.655734 0.824934 1.00445  -0.177353   0.146725    0.0223908   69  SER   B O    
2665 C CB   . SER   B 57  ? 0.657294 0.903586 1.09014  -0.145177   0.113029    -0.026291   69  SER   B CB   
2666 O OG   . SER   B 57  ? 0.689655 0.923135 1.1477   -0.157836   0.0944822   -0.0309186  69  SER   B OG   
2667 H H    . SER   B 57  ? 0.603882 0.820476 0.938847 -0.136251   0.151134    -0.00162433 69  SER   B H    
2668 H HA   . SER   B 57  ? 0.586976 0.774196 0.941441 -0.125316   0.094753    -0.0167024  69  SER   B HA   
2669 H HB2  . SER   B 57  ? 0.633353 0.900696 1.07573  -0.128983   0.105282    -0.0381681  69  SER   B HB2  
2670 H HB3  . SER   B 57  ? 0.668625 0.932742 1.11762  -0.157521   0.133255    -0.021702   69  SER   B HB3  
2672 N N    . SER   B 58  ? 0.567052 0.693687 0.903534 -0.158785   0.100705    0.0123759   70  SER   B N    
2673 C CA   . SER   B 58  ? 0.600383 0.68783  0.930088 -0.178359   0.102644    0.0300719   70  SER   B CA   
2674 C C    . SER   B 58  ? 0.726557 0.831057 1.1054   -0.206104   0.116702    0.0306074   70  SER   B C    
2675 O O    . SER   B 58  ? 0.817753 0.900554 1.18653  -0.227662   0.134347    0.0515058   70  SER   B O    
2676 C CB   . SER   B 58  ? 0.520958 0.573161 0.846125 -0.170659   0.0766331   0.0253723   70  SER   B CB   
2677 O OG   . SER   B 58  ? 0.513454 0.586944 0.876377 -0.165254   0.0592168   0.00093691  70  SER   B OG   
2678 H H    . SER   B 58  ? 0.553072 0.677157 0.88406  -0.144595   0.0849591   0.00302224  70  SER   B H    
2679 H HA   . SER   B 58  ? 0.62146  0.692226 0.916791 -0.179894   0.11287     0.0457844   70  SER   B HA   
2680 H HB2  . SER   B 58  ? 0.571917 0.597053 0.897232 -0.183858   0.0781675   0.0366379   70  SER   B HB2  
2681 H HB3  . SER   B 58  ? 0.534023 0.57328  0.827719 -0.155983   0.0698445   0.0281994   70  SER   B HB3  
2683 N N    . HIS   B 59  ? 0.713737 0.854773 1.14512  -0.20672    0.106709    0.00819968  71  HIS   B N    
2684 C CA   . HIS   B 59  ? 0.778412 0.942787 1.26589  -0.234628   0.117402    0.00490233  71  HIS   B CA   
2685 C C    . HIS   B 59  ? 0.833334 1.01827  1.32369  -0.253383   0.15341     0.0210843   71  HIS   B C    
2686 O O    . HIS   B 59  ? 0.819758 0.995156 1.32963  -0.283495   0.169273    0.0336596   71  HIS   B O    
2687 C CB   . HIS   B 59  ? 0.685173 0.902081 1.22894  -0.228823   0.103061    -0.022617   71  HIS   B CB   
2688 C CG   . HIS   B 59  ? 0.638475 0.837609 1.17987  -0.214784   0.0697851   -0.0397958  71  HIS   B CG   
2689 N ND1  . HIS   B 59  ? 0.650471 0.867533 1.179    -0.186191   0.0523356   -0.0545485  71  HIS   B ND1  
2690 C CD2  . HIS   B 59  ? 0.67963  0.841908 1.22463  -0.224564   0.0526118   -0.0443544  71  HIS   B CD2  
2691 C CE1  . HIS   B 59  ? 0.745677 0.94122  1.26977  -0.180091   0.026309    -0.0679895  71  HIS   B CE1  
2692 N NE2  . HIS   B 59  ? 0.734586 0.897125 1.2698   -0.20241    0.0258982   -0.0637402  71  HIS   B NE2  
2693 H H    . HIS   B 59  ? 0.69278  0.844975 1.12516  -0.190208   0.0924822   -0.00508346 71  HIS   B H    
2694 H HA   . HIS   B 59  ? 0.785212 0.91749  1.27415  -0.24696    0.110539    0.00988613  71  HIS   B HA   
2695 H HB2  . HIS   B 59  ? 0.670669 0.916324 1.21289  -0.214373   0.108564    -0.0272191  71  HIS   B HB2  
2696 H HB3  . HIS   B 59  ? 0.704568 0.940263 1.28856  -0.249159   0.110963    -0.0247389  71  HIS   B HB3  
2698 H HD2  . HIS   B 59  ? 0.720099 0.859446 1.27286  -0.243509   0.0580784   -0.0363271  71  HIS   B HD2  
2699 H HE1  . HIS   B 59  ? 0.693239 0.894134 1.20648  -0.163082   0.0114567   -0.0785946  71  HIS   B HE1  
2701 N N    . ASP   B 60  ? 0.849914 1.06182  1.31955  -0.235977   0.167423    0.0198624   72  ASP   B N    
2702 C CA   . ASP   B 60  ? 0.991673 1.22823  1.45925  -0.249086   0.203837    0.0308574   72  ASP   B CA   
2703 C C    . ASP   B 60  ? 1.12665  1.31372  1.53744  -0.265684   0.221099    0.0611786   72  ASP   B C    
2704 O O    . ASP   B 60  ? 1.11139  1.31257  1.51561  -0.282928   0.254069    0.0736478   72  ASP   B O    
2705 C CB   . ASP   B 60  ? 0.96251  1.23157  1.41559  -0.222476   0.211592    0.0191645   72  ASP   B CB   
2706 C CG   . ASP   B 60  ? 0.88697  1.20478  1.39238  -0.203202   0.195479    -0.00770697 72  ASP   B CG   
2707 O OD1  . ASP   B 60  ? 0.827155 1.17     1.39134  -0.214934   0.18401     -0.0191786  72  ASP   B OD1  
2708 O OD2  . ASP   B 60  ? 0.896264 1.22409  1.38162  -0.176619   0.192584    -0.0168081  72  ASP   B OD2  
2709 H H    . ASP   B 60  ? 0.83985  1.05414  1.29534  -0.215143   0.154423    0.0110149   72  ASP   B H    
2710 H HA   . ASP   B 60  ? 0.984941 1.25149  1.49978  -0.265203   0.213375    0.0254367   72  ASP   B HA   
2711 H HB2  . ASP   B 60  ? 0.950378 1.19068  1.35793  -0.208317   0.202303    0.0239639   72  ASP   B HB2  
2712 H HB3  . ASP   B 60  ? 0.975001 1.26054  1.42595  -0.231086   0.237452    0.0249065   72  ASP   B HB3  
2713 N N    . ARG   B 61  ? 1.11409  1.2442   1.48216  -0.259507   0.199404    0.0735017   73  ARG   B N    
2714 C CA   . ARG   B 61  ? 1.07313  1.15157  1.39215  -0.275523   0.209489    0.104245    73  ARG   B CA   
2715 C C    . ARG   B 61  ? 1.04827  1.09449  1.39789  -0.301405   0.203551    0.113292    73  ARG   B C    
2716 O O    . ARG   B 61  ? 1.09286  1.09099  1.40876  -0.317887   0.210941    0.140882    73  ARG   B O    
2717 C CB   . ARG   B 61  ? 0.973988 1.01544  1.22923  -0.250272   0.190418    0.111949    73  ARG   B CB   
2718 H H    . ARG   B 61  ? 1.0627   1.18644  1.43133  -0.243862   0.177739    0.0628221   73  ARG   B H    
2719 H HA   . ARG   B 61  ? 1.08487  1.17727  1.39312  -0.286313   0.234585    0.113278    73  ARG   B HA   
2722 N N    . ASN   B 62  ? 0.94329  1.01478  1.35585  -0.3054     0.189517    0.0897563   74  ASN   B N    
2723 C CA   . ASN   B 62  ? 0.905436 0.95411  1.35834  -0.332477   0.184155    0.0909816   74  ASN   B CA   
2724 C C    . ASN   B 62  ? 0.906092 0.881498 1.32494  -0.326946   0.160333    0.103176    74  ASN   B C    
2725 O O    . ASN   B 62  ? 0.924287 0.860704 1.35796  -0.351834   0.161133    0.114227    74  ASN   B O    
2726 C CB   . ASN   B 62  ? 0.880564 0.944981 1.3588   -0.37031    0.219291    0.106652    74  ASN   B CB   
2727 H H    . ASN   B 62  ? 0.911153 1.01476  1.34127  -0.290261   0.181692    0.0713344   74  ASN   B H    
2728 H HA   . ASN   B 62  ? 0.869006 0.945544 1.36274  -0.328843   0.171384    0.0689617   74  ASN   B HA   
2731 N N    . GLU   B 63  ? 0.863242 0.820173 1.2436   -0.294498   0.137747    0.09853     75  GLU   B N    
2732 C CA   . GLU   B 63  ? 0.836099 0.733255 1.19852  -0.285139   0.112744    0.102651    75  GLU   B CA   
2733 C C    . GLU   B 63  ? 0.780629 0.68314  1.11886  -0.248628   0.0897563   0.0872633   75  GLU   B C    
2734 O O    . GLU   B 63  ? 0.71594  0.650832 1.03144  -0.232373   0.09557     0.0849662   75  GLU   B O    
2735 C CB   . GLU   B 63  ? 0.887108 0.723863 1.20736  -0.298447   0.121818    0.139162    75  GLU   B CB   
2736 H H    . GLU   B 63  ? 0.827203 0.809469 1.19432  -0.278124   0.138485    0.0921025   75  GLU   B H    
2737 H HA   . GLU   B 63  ? 0.844267 0.737743 1.24259  -0.295365   0.10459     0.0899499   75  GLU   B HA   
2740 N N    . PRO   B 64  ? 0.786929 0.659529 1.13075  -0.234971   0.0642579   0.0740848   76  PRO   B N    
2741 C CA   . PRO   B 64  ? 0.722041 0.603999 1.04646  -0.202861   0.0453834   0.0585879   76  PRO   B CA   
2742 C C    . PRO   B 64  ? 0.70895  0.575679 0.980416 -0.186623   0.0469      0.0795976   76  PRO   B C    
2743 O O    . PRO   B 64  ? 0.749635 0.581756 0.993996 -0.19642    0.0548871   0.107277    76  PRO   B O    
2744 C CB   . PRO   B 64  ? 0.763236 0.607673 1.10122  -0.195577   0.0230092   0.0446635   76  PRO   B CB   
2745 C CG   . PRO   B 64  ? 0.796722 0.621207 1.1719   -0.22565    0.0280284   0.0448529   76  PRO   B CG   
2746 C CD   . PRO   B 64  ? 0.836708 0.661541 1.20246  -0.249381   0.0538849   0.0736412   76  PRO   B CD   
2747 H HA   . PRO   B 64  ? 0.692538 0.613071 1.03112  -0.197553   0.0456528   0.0426821   76  PRO   B HA   
2748 H HB2  . PRO   B 64  ? 0.772794 0.585525 1.08653  -0.185191   0.0168275   0.056374    76  PRO   B HB2  
2749 H HB3  . PRO   B 64  ? 0.723221 0.588431 1.07089  -0.183164   0.0125043   0.0238044   76  PRO   B HB3  
2750 H HG2  . PRO   B 64  ? 0.830042 0.613115 1.20404  -0.224788   0.0181614   0.0464046   76  PRO   B HG2  
2751 H HG3  . PRO   B 64  ? 0.780793 0.633707 1.18642  -0.230972   0.0249163   0.0248741   76  PRO   B HG3  
2752 H HD2  . PRO   B 64  ? 0.870472 0.654608 1.21173  -0.251233   0.0549779   0.0944648   76  PRO   B HD2  
2753 H HD3  . PRO   B 64  ? 0.843788 0.679951 1.24131  -0.27081    0.0621951   0.0696379   76  PRO   B HD3  
2754 N N    . PHE   B 65  ? 0.689733 0.582641 0.945954 -0.162985   0.0383985   0.0663407   77  PHE   B N    
2755 C CA   . PHE   B 65  ? 0.647397 0.53436  0.857488 -0.146934   0.036808    0.080411    77  PHE   B CA   
2756 C C    . PHE   B 65  ? 0.656181 0.508633 0.857955 -0.128905   0.0147131   0.0800295   77  PHE   B C    
2757 O O    . PHE   B 65  ? 0.525965 0.382486 0.750183 -0.117379   0.00092571  0.0573846   77  PHE   B O    
2758 C CB   . PHE   B 65  ? 0.631612 0.56428  0.834835 -0.134133   0.0408426   0.0651616   77  PHE   B CB   
2759 C CG   . PHE   B 65  ? 0.626247 0.554439 0.784181 -0.119453   0.0375581   0.0758115   77  PHE   B CG   
2760 C CD1  . PHE   B 65  ? 0.731898 0.650878 0.853621 -0.128361   0.0510774   0.0981838   77  PHE   B CD1  
2761 C CD2  . PHE   B 65  ? 0.622528 0.552945 0.773177 -0.0987744  0.0203399   0.0643252   77  PHE   B CD2  
2762 C CE1  . PHE   B 65  ? 0.767738 0.681556 0.846972 -0.11632    0.0446361   0.106948    77  PHE   B CE1  
2763 C CE2  . PHE   B 65  ? 0.645748 0.572719 0.759526 -0.0880288  0.0154103   0.073946    77  PHE   B CE2  
2764 C CZ   . PHE   B 65  ? 0.698695 0.617069 0.777066 -0.0966243  0.0258028   0.0946402   77  PHE   B CZ   
2765 H H    . PHE   B 65  ? 0.646188 0.561498 0.921507 -0.157343   0.0326785   0.0474748   77  PHE   B H    
2766 H HA   . PHE   B 65  ? 0.690394 0.564858 0.880875 -0.157349   0.0478587   0.100006    77  PHE   B HA   
2767 H HB2  . PHE   B 65  ? 0.621975 0.575254 0.833674 -0.144716   0.0554944   0.0654359   77  PHE   B HB2  
2768 H HB3  . PHE   B 65  ? 0.598054 0.542631 0.81899  -0.125322   0.0307892   0.0472679   77  PHE   B HB3  
2769 H HD1  . PHE   B 65  ? 0.741116 0.658962 0.866641 -0.143567   0.0650397   0.106763    77  PHE   B HD1  
2770 H HD2  . PHE   B 65  ? 0.605164 0.54027  0.776082 -0.0928714  0.012014    0.04956     77  PHE   B HD2  
2771 H HE1  . PHE   B 65  ? 0.774962 0.682723 0.826048 -0.122623   0.0532177   0.121117    77  PHE   B HE1  
2772 H HE2  . PHE   B 65  ? 0.628103 0.560069 0.740523 -0.0755127  0.0050071   0.0655316   77  PHE   B HE2  
2773 H HZ   . PHE   B 65  ? 0.705099 0.622905 0.758037 -0.0898168  0.0208229   0.0994539   77  PHE   B HZ   
2774 N N    . VAL   B 66  ? 0.71087  0.529029 0.880151 -0.126643   0.0117609   0.105612    78  VAL   B N    
2775 C CA   . VAL   B 66  ? 0.772316 0.555609 0.937955 -0.108856   -0.00885549 0.108563    78  VAL   B CA   
2776 C C    . VAL   B 66  ? 0.695456 0.488158 0.825406 -0.0904851  -0.0171752  0.117676    78  VAL   B C    
2777 O O    . VAL   B 66  ? 0.696704 0.493886 0.792711 -0.0979163  -0.00754903 0.136074    78  VAL   B O    
2778 C CB   . VAL   B 66  ? 0.890913 0.618681 1.05461  -0.121444   -0.00991056 0.132366    78  VAL   B CB   
2779 C CG1  . VAL   B 66  ? 0.955586 0.644535 1.1182   -0.0990879  -0.0324692  0.135822    78  VAL   B CG1  
2780 C CG2  . VAL   B 66  ? 0.890266 0.609672 1.09252  -0.144307   -0.00109539 0.122075    78  VAL   B CG2  
2781 H H    . VAL   B 66  ? 0.734086 0.551279 0.882801 -0.135505   0.0225402   0.1214      78  VAL   B H    
2782 H HA   . VAL   B 66  ? 0.735957 0.525728 0.924003 -0.100821   -0.0167313  0.0887219   78  VAL   B HA   
2783 H HB   . VAL   B 66  ? 0.908869 0.630641 1.0458   -0.129986   -0.00125399 0.153306    78  VAL   B HB   
2784 H HG11 . VAL   B 66  ? 0.918743 0.617455 1.10382  -0.0886531  -0.0398342  0.113667    78  VAL   B HG11 
2785 H HG12 . VAL   B 66  ? 0.942448 0.635961 1.08119  -0.0871878  -0.038418   0.145818    78  VAL   B HG12 
2786 H HG13 . VAL   B 66  ? 0.987994 0.637848 1.15173  -0.107007   -0.0335784  0.149838    78  VAL   B HG13 
2787 H HG21 . VAL   B 66  ? 0.938057 0.616862 1.14091  -0.150763   -0.00401651 0.135181    78  VAL   B HG21 
2788 H HG22 . VAL   B 66  ? 0.887567 0.628416 1.09047  -0.159806   0.0143762   0.125272    78  VAL   B HG22 
2789 H HG23 . VAL   B 66  ? 0.865702 0.599044 1.0915   -0.137241   -0.00819957 0.0988328   78  VAL   B HG23 
2790 N N    . PHE   B 67  ? 0.703287 0.499845 0.84146  -0.0677752  -0.0344773  0.10384     79  PHE   B N    
2791 C CA   . PHE   B 67  ? 0.637021 0.443135 0.748828 -0.0509566  -0.0455647  0.111603    79  PHE   B CA   
2792 C C    . PHE   B 67  ? 0.675935 0.474738 0.80863  -0.0274666  -0.0647241  0.0997458   79  PHE   B C    
2793 O O    . PHE   B 67  ? 0.650143 0.441543 0.813949 -0.0233578  -0.0671363  0.0806173   79  PHE   B O    
2794 C CB   . PHE   B 67  ? 0.580867 0.432976 0.682016 -0.0508983  -0.0367341  0.0974621   79  PHE   B CB   
2795 C CG   . PHE   B 67  ? 0.522905 0.403228 0.650864 -0.0404105  -0.0393771  0.0678246   79  PHE   B CG   
2796 C CD1  . PHE   B 67  ? 0.520738 0.410959 0.6736   -0.0488547  -0.0313555  0.0506956   79  PHE   B CD1  
2797 C CD2  . PHE   B 67  ? 0.489346 0.390013 0.61525  -0.0236328  -0.0492837  0.0573588   79  PHE   B CD2  
2798 C CE1  . PHE   B 67  ? 0.421735 0.335986 0.590562 -0.0396226  -0.0343654  0.0257942   79  PHE   B CE1  
2799 C CE2  . PHE   B 67  ? 0.457695 0.382426 0.601689 -0.0164444  -0.0487691  0.0326588   79  PHE   B CE2  
2800 C CZ   . PHE   B 67  ? 0.420099 0.349552 0.582139 -0.0238915  -0.0417886  0.0177557   79  PHE   B CZ   
2801 H H    . PHE   B 67  ? 0.672708 0.467575 0.834405 -0.0632051  -0.0392665  0.0882631   79  PHE   B H    
2802 H HA   . PHE   B 67  ? 0.688045 0.475848 0.775679 -0.0552424  -0.0460226  0.133175    79  PHE   B HA   
2803 H HB2  . PHE   B 67  ? 0.584328 0.441278 0.663826 -0.0447867  -0.0422264  0.105381    79  PHE   B HB2  
2804 H HB3  . PHE   B 67  ? 0.581508 0.439948 0.676578 -0.0645447  -0.0231667  0.10078     79  PHE   B HB3  
2805 H HD1  . PHE   B 67  ? 0.516086 0.396709 0.674656 -0.0616439  -0.0241721  0.0565118   79  PHE   B HD1  
2806 H HD2  . PHE   B 67  ? 0.504335 0.402588 0.616316 -0.0179005  -0.056427   0.0675292   79  PHE   B HD2  
2807 H HE1  . PHE   B 67  ? 0.431717 0.352253 0.615951 -0.0450469  -0.0312589  0.0146799   79  PHE   B HE1  
2808 H HE2  . PHE   B 67  ? 0.437062 0.375597 0.580425 -0.00684729 -0.0536579  0.0263279   79  PHE   B HE2  
2809 H HZ   . PHE   B 67  ? 0.401719 0.346078 0.571505 -0.0186987  -0.0424193  0.00206714  79  PHE   B HZ   
2810 N N    . SER   B 68  ? 0.681259 0.485326 0.797578 -0.0118673  -0.07833    0.10929     80  SER   B N    
2811 C CA   . SER   B 68  ? 0.716392 0.521219 0.856436 0.012265    -0.0952923  0.0979336   80  SER   B CA   
2812 C C    . SER   B 68  ? 0.609217 0.463518 0.755881 0.0196643   -0.0929763  0.0750877   80  SER   B C    
2813 O O    . SER   B 68  ? 0.629002 0.507926 0.751219 0.0137268   -0.0895309  0.0800349   80  SER   B O    
2814 C CB   . SER   B 68  ? 0.796417 0.578339 0.922567 0.0263062   -0.114433   0.122345    80  SER   B CB   
2815 O OG   . SER   B 68  ? 0.938591 0.666987 1.05653  0.0195186   -0.116655   0.145674    80  SER   B OG   
2816 H H    . SER   B 68  ? 0.697255 0.506395 0.788186 -0.016353   -0.0769559  0.1222      80  SER   B H    
2817 H HA   . SER   B 68  ? 0.710057 0.498417 0.872275 0.0144282   -0.0953838  0.087868    80  SER   B HA   
2818 H HB2  . SER   B 68  ? 0.804539 0.601795 0.906344 0.0229749   -0.115402   0.131947    80  SER   B HB2  
2819 H HB3  . SER   B 68  ? 0.801273 0.590285 0.948101 0.0437085   -0.124894   0.112368    80  SER   B HB3  
2821 N N    . LEU   B 69  ? 0.568985 0.434846 0.745863 0.0314635   -0.093948   0.0500962   81  LEU   B N    
2822 C CA   . LEU   B 69  ? 0.508894 0.417725 0.689519 0.0339266   -0.0875275  0.0289812   81  LEU   B CA   
2823 C C    . LEU   B 69  ? 0.562387 0.496372 0.743581 0.0479588   -0.0985095  0.0312578   81  LEU   B C    
2824 O O    . LEU   B 69  ? 0.505474 0.429529 0.702968 0.0648562   -0.112783   0.0362593   81  LEU   B O    
2825 C CB   . LEU   B 69  ? 0.560464 0.471019 0.767818 0.0407458   -0.084056   0.00231229  81  LEU   B CB   
2826 C CG   . LEU   B 69  ? 0.522891 0.472866 0.73209  0.0431946   -0.0761407  -0.0199539  81  LEU   B CG   
2827 C CD1  . LEU   B 69  ? 0.526829 0.490329 0.717951 0.0266242   -0.0646363  -0.0217896  81  LEU   B CD1  
2828 C CD2  . LEU   B 69  ? 0.532548 0.479907 0.764404 0.0540734   -0.0754742  -0.0451256  81  LEU   B CD2  
2829 H H    . LEU   B 69  ? 0.589747 0.434775 0.78325  0.0377617   -0.0981692  0.0462152   81  LEU   B H    
2830 H HA   . LEU   B 69  ? 0.518104 0.437533 0.683063 0.0214485   -0.0784504  0.0305586   81  LEU   B HA   
2831 H HB2  . LEU   B 69  ? 0.552372 0.447098 0.760671 0.0306582   -0.0792956  0.00126647  81  LEU   B HB2  
2832 H HB3  . LEU   B 69  ? 0.564299 0.461974 0.787514 0.0537627   -0.0920807  7.936e-05   81  LEU   B HB3  
2833 H HG   . LEU   B 69  ? 0.520609 0.489171 0.728187 0.049382    -0.0791898  -0.0176836  81  LEU   B HG   
2834 H HD11 . LEU   B 69  ? 0.516564 0.482229 0.6919   0.0200895   -0.063496   -0.00798993 81  LEU   B HD11 
2835 H HD12 . LEU   B 69  ? 0.497538 0.48174  0.687842 0.0289272   -0.0606079  -0.0342773  81  LEU   B HD12 
2836 H HD13 . LEU   B 69  ? 0.525227 0.474584 0.721258 0.0201309   -0.0623844  -0.0245671  81  LEU   B HD13 
2837 H HD21 . LEU   B 69  ? 0.547532 0.486624 0.793951 0.0670101   -0.0823145  -0.0457667  81  LEU   B HD21 
2838 H HD22 . LEU   B 69  ? 0.540222 0.469812 0.774196 0.047006    -0.0738809  -0.0487181  81  LEU   B HD22 
2839 H HD23 . LEU   B 69  ? 0.509351 0.480779 0.738643 0.0551386   -0.069776   -0.0576011  81  LEU   B HD23 
2840 N N    . GLY   B 70  ? 0.529829 0.496878 0.696104 0.0407373   -0.0920759  0.0262819   82  GLY   B N    
2841 C CA   . GLY   B 70  ? 0.561655 0.560952 0.732409 0.0489642   -0.099723   0.022915    82  GLY   B CA   
2842 C C    . GLY   B 70  ? 0.647383 0.640328 0.801915 0.0515539   -0.116071   0.0455074   82  GLY   B C    
2843 O O    . GLY   B 70  ? 0.687811 0.704623 0.857669 0.0632194   -0.129062   0.0437453   82  GLY   B O    
2844 H H    . GLY   B 70  ? 0.526543 0.495912 0.680563 0.0295164   -0.0823683  0.0245291   82  GLY   B H    
2845 H HA2  . GLY   B 70  ? 0.539273 0.557375 0.6999   0.0407439   -0.0916079  0.0161563   82  GLY   B HA2  
2846 H HA3  . GLY   B 70  ? 0.558872 0.56701  0.754044 0.0610923   -0.102509   0.0114364   82  GLY   B HA3  
2847 N N    . LYS   B 71  ? 0.639685 0.601778 0.764682 0.0408743   -0.115625   0.0663796   83  LYS   B N    
2848 C CA   . LYS   B 71  ? 0.698071 0.647583 0.796848 0.0417623   -0.131086   0.0907361   83  LYS   B CA   
2849 C C    . LYS   B 71  ? 0.765025 0.72305  0.821312 0.0226697   -0.1213     0.0964414   83  LYS   B C    
2850 O O    . LYS   B 71  ? 0.870335 0.812095 0.890708 0.0171085   -0.12808    0.117479    83  LYS   B O    
2851 C CB   . LYS   B 71  ? 0.661389 0.563735 0.759524 0.0466684   -0.138074   0.110655    83  LYS   B CB   
2852 H H    . LYS   B 71  ? 0.64921  0.598645 0.769225 0.0320128   -0.104797   0.0653223   83  LYS   B H    
2853 H HA   . LYS   B 71  ? 0.689161 0.656907 0.800689 0.0527901   -0.143983   0.088468    83  LYS   B HA   
2856 N N    . GLY   B 72  ? 0.758052 0.73904  0.816008 0.0134657   -0.105089   0.0774209   84  GLY   B N    
2857 C CA   . GLY   B 72  ? 0.776906 0.76416  0.798954 -0.00254574 -0.0932927  0.0780516   84  GLY   B CA   
2858 C C    . GLY   B 72  ? 0.732577 0.691547 0.721872 -0.0148092  -0.0834566  0.0965676   84  GLY   B C    
2859 O O    . GLY   B 72  ? 0.658805 0.61763  0.609367 -0.0240294  -0.0812385  0.104442    84  GLY   B O    
2860 H H    . GLY   B 72  ? 0.728337 0.720213 0.809718 0.0181422   -0.101348   0.0633372   84  GLY   B H    
2861 H HA2  . GLY   B 72  ? 0.725541 0.724322 0.755987 -0.00603613 -0.0820282  0.0640469   84  GLY   B HA2  
2862 H HA3  . GLY   B 72  ? 0.758622 0.758763 0.768894 -0.00229615 -0.102341   0.0790591   84  GLY   B HA3  
2863 N N    . GLN   B 73  ? 0.651055 0.587322 0.655405 -0.0169654  -0.0753546  0.101522    85  GLN   B N    
2864 C CA   . GLN   B 73  ? 0.667571 0.583426 0.64766  -0.0325359  -0.0596895  0.115839    85  GLN   B CA   
2865 C C    . GLN   B 73  ? 0.642994 0.577258 0.629172 -0.0426788  -0.0379318  0.0989381   85  GLN   B C    
2866 O O    . GLN   B 73  ? 0.596446 0.525156 0.564358 -0.0560872  -0.0210763  0.106347    85  GLN   B O    
2867 C CB   . GLN   B 73  ? 0.722671 0.604683 0.719496 -0.0328963  -0.0614461  0.129309    85  GLN   B CB   
2868 C CG   . GLN   B 73  ? 0.746437 0.60414  0.735741 -0.0203647  -0.0841332  0.149084    85  GLN   B CG   
2869 C CD   . GLN   B 73  ? 0.822232 0.642225 0.835777 -0.0167932  -0.0884197  0.157918    85  GLN   B CD   
2870 O OE1  . GLN   B 73  ? 0.741961 0.55121  0.775337 -0.0276702  -0.0739399  0.151205    85  GLN   B OE1  
2871 N NE2  . GLN   B 73  ? 0.877288 0.675588 0.889316 -0.00121056 -0.11034    0.173517    85  GLN   B NE2  
2872 H H    . GLN   B 73  ? 0.659896 0.594067 0.690973 -0.00941281 -0.0789592  0.0949919   85  GLN   B H    
2873 H HA   . GLN   B 73  ? 0.702269 0.613862 0.650408 -0.0364655  -0.0621884  0.127923    85  GLN   B HA   
2874 H HB2  . GLN   B 73  ? 0.689364 0.575222 0.716423 -0.0289592  -0.0601226  0.115604    85  GLN   B HB2  
2875 H HB3  . GLN   B 73  ? 0.73013  0.601157 0.713322 -0.0455723  -0.0487748  0.138412    85  GLN   B HB3  
2876 H HG2  . GLN   B 73  ? 0.792228 0.641094 0.747651 -0.0260455  -0.0853271  0.16545     85  GLN   B HG2  
2877 H HG3  . GLN   B 73  ? 0.744539 0.619389 0.745717 -0.0082051  -0.0962065  0.140142    85  GLN   B HG3  
2878 H HE21 . GLN   B 73  ? 0.89381  0.665319 0.918158 0.00232128  -0.114444   0.179958    85  GLN   B HE21 
2879 H HE22 . GLN   B 73  ? 0.874505 0.68467  0.874177 0.00606911  -0.121714   0.177325    85  GLN   B HE22 
2880 N N    . VAL   B 74  ? 0.530852 0.487877 0.542134 -0.0355113  -0.0382468  0.0769009   86  VAL   B N    
2881 C CA   . VAL   B 74  ? 0.520973 0.494979 0.539894 -0.0409009  -0.022181   0.0609214   86  VAL   B CA   
2882 C C    . VAL   B 74  ? 0.458705 0.453998 0.470794 -0.0359211  -0.0248696  0.0467071   86  VAL   B C    
2883 O O    . VAL   B 74  ? 0.407421 0.407548 0.417972 -0.0293921  -0.0387169  0.0474703   86  VAL   B O    
2884 C CB   . VAL   B 74  ? 0.50888  0.482933 0.565497 -0.0386075  -0.0202053  0.0491321   86  VAL   B CB   
2885 C CG1  . VAL   B 74  ? 0.535694 0.489006 0.599921 -0.0494784  -0.0131612  0.0616397   86  VAL   B CG1  
2886 C CG2  . VAL   B 74  ? 0.461419 0.437383 0.540324 -0.024673   -0.0350373  0.0394864   86  VAL   B CG2  
2887 H H    . VAL   B 74  ? 0.543558 0.505649 0.567368 -0.0263814  -0.0490929  0.0722488   86  VAL   B H    
2888 H HA   . VAL   B 74  ? 0.524554 0.495812 0.527962 -0.0495054  -0.0111936  0.0667027   86  VAL   B HA   
2889 H HB   . VAL   B 74  ? 0.479574 0.467622 0.540367 -0.039881   -0.0126603  0.0382063   86  VAL   B HB   
2890 H HG11 . VAL   B 74  ? 0.561041 0.496298 0.617922 -0.0483734  -0.0204871  0.0746172   86  VAL   B HG11 
2891 H HG12 . VAL   B 74  ? 0.541886 0.499394 0.594045 -0.0582294  -0.00125966 0.0656391   86  VAL   B HG12 
2892 H HG13 . VAL   B 74  ? 0.525239 0.478922 0.613769 -0.0491464  -0.0131666  0.0524537   86  VAL   B HG13 
2893 H HG21 . VAL   B 74  ? 0.461167 0.437112 0.559828 -0.0235957  -0.0335071  0.0298939   86  VAL   B HG21 
2894 H HG22 . VAL   B 74  ? 0.455755 0.446783 0.529894 -0.0204902  -0.0371257  0.0323563   86  VAL   B HG22 
2895 H HG23 . VAL   B 74  ? 0.491882 0.454101 0.570086 -0.0211029  -0.043649   0.0496317   86  VAL   B HG23 
2896 N N    . ILE   B 75  ? 0.399114 0.406635 0.410995 -0.0387352  -0.0123503  0.0339536   87  ILE   B N    
2897 C CA   . ILE   B 75  ? 0.396499 0.418037 0.402301 -0.0354806  -0.0140467  0.0211568   87  ILE   B CA   
2898 C C    . ILE   B 75  ? 0.382847 0.413772 0.414021 -0.0265533  -0.0242055  0.0121376   87  ILE   B C    
2899 O O    . ILE   B 75  ? 0.365249 0.39259  0.420525 -0.0217347  -0.0265691  0.00995923  87  ILE   B O    
2900 C CB   . ILE   B 75  ? 0.376455 0.403553 0.379178 -0.0375084  0.00029158  0.0106408   87  ILE   B CB   
2901 C CG1  . ILE   B 75  ? 0.346988 0.378291 0.37946  -0.0346118  0.00468751  0.00437144  87  ILE   B CG1  
2902 C CG2  . ILE   B 75  ? 0.446106 0.467625 0.419801 -0.0450733  0.0127001   0.0157648   87  ILE   B CG2  
2903 C CD1  . ILE   B 75  ? 0.330845 0.370084 0.3643   -0.0331354  0.015377    -0.00529429 87  ILE   B CD1  
2904 H H    . ILE   B 75  ? 0.412507 0.419027 0.428626 -0.0429073  -0.0027403  0.0337507   87  ILE   B H    
2905 H HA   . ILE   B 75  ? 0.406511 0.427287 0.392561 -0.0378953  -0.0179427  0.0253291   87  ILE   B HA   
2906 H HB   . ILE   B 75  ? 0.373762 0.405991 0.373296 -0.0353799  -0.00171725 0.00315192  87  ILE   B HB   
2907 H HG12 . ILE   B 75  ? 0.358742 0.384645 0.39757  -0.0384002  0.0068539   0.0114175   87  ILE   B HG12 
2908 H HG13 . ILE   B 75  ? 0.33695  0.371037 0.38278  -0.0297229  -0.00251095 -0.00060866 87  ILE   B HG13 
2909 H HG21 . ILE   B 75  ? 0.425141 0.450409 0.397771 -0.0439622  0.0206898   0.00750582  87  ILE   B HG21 
2910 H HG22 . ILE   B 75  ? 0.443084 0.460592 0.419947 -0.0486525  0.0176618   0.0233677   87  ILE   B HG22 
2911 H HG23 . ILE   B 75  ? 0.44614  0.464287 0.399092 -0.0474079  0.00772127  0.0192031   87  ILE   B HG23 
2912 H HD11 . ILE   B 75  ? 0.329067 0.368807 0.351324 -0.0306409  0.0142229   -0.0103072  87  ILE   B HD11 
2913 H HD12 . ILE   B 75  ? 0.322133 0.366579 0.375241 -0.0303278  0.0141951   -0.0103184  87  ILE   B HD12 
2914 H HD13 . ILE   B 75  ? 0.345061 0.383533 0.3709   -0.0372552  0.0244462   -0.00179044 87  ILE   B HD13 
2915 N N    . LYS   B 76  ? 0.342367 0.385647 0.368041 -0.0256542  -0.0287446  0.00531398  88  LYS   B N    
2916 C CA   . LYS   B 76  ? 0.339646 0.397059 0.387629 -0.0187078  -0.0344664  -0.00431252 88  LYS   B CA   
2917 C C    . LYS   B 76  ? 0.315807 0.374075 0.379966 -0.0143072  -0.0276958  -0.0151478  88  LYS   B C    
2918 O O    . LYS   B 76  ? 0.322623 0.385435 0.408127 -0.00662299 -0.0319101  -0.0213795  88  LYS   B O    
2919 C CB   . LYS   B 76  ? 0.33927  0.410728 0.377028 -0.0237206  -0.0368573  -0.00918403 88  LYS   B CB   
2920 H H    . LYS   B 76  ? 0.360595 0.403772 0.367719 -0.030532   -0.0271636  0.00614137  88  LYS   B H    
2921 H HA   . LYS   B 76  ? 0.342534 0.399688 0.402241 -0.013656   -0.0427547  0.00011953  88  LYS   B HA   
2924 N N    . ALA   B 77  ? 0.306308 0.360718 0.360596 -0.0177139  -0.0183071  -0.0186688  89  ALA   B N    
2925 C CA   . ALA   B 77  ? 0.303298 0.359949 0.369468 -0.013309   -0.0153323  -0.0285968  89  ALA   B CA   
2926 C C    . ALA   B 77  ? 0.282757 0.333576 0.371028 -0.0103859  -0.0192765  -0.0294254  89  ALA   B C    
2927 O O    . ALA   B 77  ? 0.315653 0.369781 0.415739 -0.00543793 -0.0215263  -0.0402424  89  ALA   B O    
2928 C CB   . ALA   B 77  ? 0.290425 0.344769 0.345329 -0.0151654  -0.0075973  -0.0305359  89  ALA   B CB   
2929 H H    . ALA   B 77  ? 0.314897 0.365552 0.354339 -0.0221514  -0.0143646  -0.0153403  89  ALA   B H    
2930 H HA   . ALA   B 77  ? 0.290466 0.354107 0.358352 -0.0106217  -0.0164327  -0.0347219  89  ALA   B HA   
2931 H HB1  . ALA   B 77  ? 0.29552  0.349491 0.336275 -0.0167937  -0.00519837 -0.0311999  89  ALA   B HB1  
2932 H HB2  . ALA   B 77  ? 0.299596 0.350107 0.353728 -0.0181019  -0.00441862 -0.0254512  89  ALA   B HB2  
2933 H HB3  . ALA   B 77  ? 0.289264 0.346156 0.351929 -0.0116151  -0.0082371  -0.0365111  89  ALA   B HB3  
2934 N N    . TRP   B 78  ? 0.309969 0.349795 0.401083 -0.0144216  -0.0202251  -0.0182575  90  TRP   B N    
2935 C CA   . TRP   B 78  ? 0.332521 0.361148 0.444613 -0.0144244  -0.0236419  -0.0179963  90  TRP   B CA   
2936 C C    . TRP   B 78  ? 0.357673 0.38082  0.483044 -0.00548215 -0.0335377  -0.020341   90  TRP   B C    
2937 O O    . TRP   B 78  ? 0.374449 0.391374 0.518622 -0.00128832 -0.0370183  -0.0305736  90  TRP   B O    
2938 C CB   . TRP   B 78  ? 0.384911 0.401006 0.493104 -0.0242973  -0.0183349  -0.0030929  90  TRP   B CB   
2939 C CG   . TRP   B 78  ? 0.367006 0.390684 0.482978 -0.0315374  -0.00829993 -0.00672024 90  TRP   B CG   
2940 C CD1  . TRP   B 78  ? 0.378699 0.418215 0.490272 -0.0303205  -0.00168802 -0.0145931  90  TRP   B CD1  
2941 C CD2  . TRP   B 78  ? 0.38303  0.398904 0.518826 -0.0410803  -0.00464539 -0.00259608 90  TRP   B CD2  
2942 N NE1  . TRP   B 78  ? 0.397809 0.44478  0.527443 -0.036918   0.00568586  -0.0156951  90  TRP   B NE1  
2943 C CE2  . TRP   B 78  ? 0.403502 0.43794  0.549603 -0.045277   0.00447742  -0.00920382 90  TRP   B CE2  
2944 C CE3  . TRP   B 78  ? 0.42271  0.416424 0.569662 -0.0466068  -0.00841479 0.00644624  90  TRP   B CE3  
2945 C CZ2  . TRP   B 78  ? 0.389493 0.42716  0.560434 -0.0568962  0.0109008   -0.00795295 90  TRP   B CZ2  
2946 C CZ3  . TRP   B 78  ? 0.514387 0.504789 0.68138  -0.0599998  -0.00128915 0.00902765  90  TRP   B CZ3  
2947 C CH2  . TRP   B 78  ? 0.439217 0.454519 0.619803 -0.0659993  0.00872145  0.00133486  90  TRP   B CH2  
2948 H H    . TRP   B 78  ? 0.317226 0.354679 0.395093 -0.0181476  -0.0185142  -0.0104139  90  TRP   B H    
2949 H HA   . TRP   B 78  ? 0.33177  0.364799 0.452748 -0.0139087  -0.022471   -0.0273031  90  TRP   B HA   
2950 H HB2  . TRP   B 78  ? 0.379712 0.395265 0.470055 -0.0261232  -0.0169635  0.00511166  90  TRP   B HB2  
2951 H HB3  . TRP   B 78  ? 0.387709 0.390909 0.506011 -0.0243364  -0.0228839  0.00131191  90  TRP   B HB3  
2952 H HD1  . TRP   B 78  ? 0.368595 0.412803 0.467106 -0.0261112  -0.00166877 -0.0177914  90  TRP   B HD1  
2953 H HE1  . TRP   B 78  ? 0.383207 0.441115 0.515983 -0.0355718  0.00958179  -0.0204655  90  TRP   B HE1  
2954 H HE3  . TRP   B 78  ? 0.444746 0.425925 0.586947 -0.0416279  -0.0155304  0.0109694   90  TRP   B HE3  
2955 H HZ2  . TRP   B 78  ? 0.394285 0.448384 0.576158 -0.0586689  0.0165573   -0.0128957  90  TRP   B HZ2  
2956 H HZ3  . TRP   B 78  ? 0.499013 0.470722 0.673127 -0.0651432  -0.00343898 0.0157301   90  TRP   B HZ3  
2957 H HH2  . TRP   B 78  ? 0.454353 0.470791 0.653071 -0.0761315  0.0135282   0.00234823  90  TRP   B HH2  
2958 N N    . ASP   B 79  ? 0.316576 0.343179 0.433895 -0.00188511 -0.0388221  -0.0126826  91  ASP   B N    
2959 C CA   . ASP   B 79  ? 0.35882  0.385303 0.493837 0.00963288  -0.048621   -0.0153686  91  ASP   B CA   
2960 C C    . ASP   B 79  ? 0.361869 0.404525 0.508522 0.0162858   -0.0451454  -0.0354664  91  ASP   B C    
2961 O O    . ASP   B 79  ? 0.365619 0.403431 0.531902 0.0257246   -0.0487102  -0.0455994  91  ASP   B O    
2962 C CB   . ASP   B 79  ? 0.401242 0.435387 0.528742 0.0124031   -0.0571626  -0.00428188 91  ASP   B CB   
2963 C CG   . ASP   B 79  ? 0.467638 0.479205 0.585396 0.0108569   -0.0652332  0.0162803   91  ASP   B CG   
2964 O OD1  . ASP   B 79  ? 0.466167 0.45325  0.591572 0.00992446  -0.0648486  0.0215725   91  ASP   B OD1  
2965 O OD2  . ASP   B 79  ? 0.475114 0.492579 0.576626 0.00973883  -0.0725019  0.0268382   91  ASP   B OD2  
2966 H H    . ASP   B 79  ? 0.33543  0.365479 0.437093 -0.00626583 -0.0367625  -0.00648377 91  ASP   B H    
2967 H HA   . ASP   B 79  ? 0.377149 0.386851 0.522155 0.0112865   -0.0520487  -0.0120122  91  ASP   B HA   
2968 H HB2  . ASP   B 79  ? 0.391591 0.436585 0.504151 0.00643369  -0.0532563  -0.00434404 91  ASP   B HB2  
2969 H HB3  . ASP   B 79  ? 0.399082 0.443226 0.542366 0.0212612   -0.0619374  -0.010779   91  ASP   B HB3  
2970 N N    . ILE   B 80  ? 0.283056 0.342155 0.414736 0.0114943   -0.0377573  -0.0408825  92  ILE   B N    
2971 C CA   . ILE   B 80  ? 0.298167 0.371879 0.432056 0.0156414   -0.0325924  -0.05696    92  ILE   B CA   
2972 C C    . ILE   B 80  ? 0.325263 0.389595 0.462017 0.0166594   -0.0315475  -0.0681019  92  ILE   B C    
2973 O O    . ILE   B 80  ? 0.312413 0.378683 0.459562 0.0243059   -0.0321057  -0.0826318  92  ILE   B O    
2974 C CB   . ILE   B 80  ? 0.30184  0.388825 0.414653 0.00825677  -0.0251423  -0.0563347  92  ILE   B CB   
2975 C CG1  . ILE   B 80  ? 0.302357 0.404914 0.418404 0.0065907   -0.027392   -0.0516869  92  ILE   B CG1  
2976 C CG2  . ILE   B 80  ? 0.333881 0.429191 0.439011 0.00985605  -0.0179249  -0.0696052  92  ILE   B CG2  
2977 C CD1  . ILE   B 80  ? 0.328321 0.43403  0.421462 -0.00490651 -0.0219592  -0.0475324  92  ILE   B CD1  
2978 H H    . ILE   B 80  ? 0.30019  0.359645 0.417681 0.00522135  -0.0354053  -0.033977   92  ILE   B H    
2979 H HA   . ILE   B 80  ? 0.303844 0.3847   0.451172 0.022602    -0.0349103  -0.0616724  92  ILE   B HA   
2980 H HB   . ILE   B 80  ? 0.303962 0.383146 0.404683 0.00278876  -0.0236999  -0.0501526  92  ILE   B HB   
2981 H HG12 . ILE   B 80  ? 0.308124 0.423823 0.436716 0.0114191   -0.026047   -0.0595258  92  ILE   B HG12 
2982 H HG13 . ILE   B 80  ? 0.313982 0.411525 0.435803 0.00828621  -0.0343731  -0.0440983  92  ILE   B HG13 
2983 H HG21 . ILE   B 80  ? 0.321677 0.423173 0.414603 0.0049285   -0.0131939  -0.0678305  92  ILE   B HG21 
2984 H HG22 . ILE   B 80  ? 0.327265 0.429539 0.444547 0.0159213   -0.0178698  -0.0777863  92  ILE   B HG22 
2985 H HG23 . ILE   B 80  ? 0.324699 0.411768 0.42422  0.00960546  -0.0181898  -0.0716901  92  ILE   B HG23 
2986 H HD11 . ILE   B 80  ? 0.321476 0.414713 0.402222 -0.00845544 -0.0219134  -0.0415319  92  ILE   B HD11 
2987 H HD12 . ILE   B 80  ? 0.321182 0.437518 0.418631 -0.00724063 -0.0251888  -0.0453711  92  ILE   B HD12 
2988 H HD13 . ILE   B 80  ? 0.31769  0.426556 0.404047 -0.00653649 -0.0153721  -0.0533559  92  ILE   B HD13 
2989 N N    . GLY   B 81  ? 0.285227 0.341571 0.414215 0.00914817  -0.0303256  -0.0628512  93  GLY   B N    
2990 C CA   . GLY   B 81  ? 0.333587 0.387282 0.466039 0.00853811  -0.0316462  -0.0739123  93  GLY   B CA   
2991 C C    . GLY   B 81  ? 0.297662 0.336249 0.45209  0.00965764  -0.038039   -0.0804872  93  GLY   B C    
2992 O O    . GLY   B 81  ? 0.34119  0.379555 0.499715 0.0135109   -0.0412442  -0.0970456  93  GLY   B O    
2993 H H    . GLY   B 81  ? 0.301652 0.355912 0.423814 0.00438149  -0.0288936  -0.0528788  93  GLY   B H    
2994 H HA2  . GLY   B 81  ? 0.309727 0.371237 0.434032 0.0119405   -0.0302809  -0.0828756  93  GLY   B HA2  
2995 H HA3  . GLY   B 81  ? 0.305843 0.360089 0.43325  0.00354542  -0.0298098  -0.0688514  93  GLY   B HA3  
2996 N N    . VAL   B 82  ? 0.359495 0.382226 0.524968 0.00527007  -0.0399351  -0.0673576  94  VAL   B N    
2997 C CA   . VAL   B 82  ? 0.344448 0.345717 0.530645 0.0040413   -0.0456652  -0.0715421  94  VAL   B CA   
2998 C C    . VAL   B 82  ? 0.39161  0.386561 0.587594 0.0177135   -0.0503327  -0.0846632  94  VAL   B C    
2999 O O    . VAL   B 82  ? 0.419486 0.399551 0.629253 0.0196921   -0.0548719  -0.0994927  94  VAL   B O    
3000 C CB   . VAL   B 82  ? 0.392456 0.374788 0.582783 -0.00507695 -0.0449124  -0.0508851  94  VAL   B CB   
3001 C CG1  . VAL   B 82  ? 0.459932 0.412271 0.671797 -0.00791809 -0.0507856  -0.0531968  94  VAL   B CG1  
3002 C CG2  . VAL   B 82  ? 0.370665 0.3644   0.554575 -0.0179798  -0.0367309  -0.0427323  94  VAL   B CG2  
3003 H H    . VAL   B 82  ? 0.335155 0.358544 0.493111 0.00243743  -0.0375846  -0.0554225  94  VAL   B H    
3004 H HA   . VAL   B 82  ? 0.36342  0.366837 0.554141 -8.924e-05  -0.0465892  -0.0805896  94  VAL   B HA   
3005 H HB   . VAL   B 82  ? 0.391507 0.373084 0.573996 -0.00083494 -0.0455988  -0.0410939  94  VAL   B HB   
3006 H HG11 . VAL   B 82  ? 0.448784 0.403215 0.669585 -0.0107501  -0.0521833  -0.0669596  94  VAL   B HG11 
3007 H HG12 . VAL   B 82  ? 0.459376 0.401535 0.675379 0.00185467  -0.0555493  -0.0551685  94  VAL   B HG12 
3008 H HG13 . VAL   B 82  ? 0.460286 0.401026 0.672557 -0.0168876  -0.0483849  -0.0391574  94  VAL   B HG13 
3009 H HG21 . VAL   B 82  ? 0.387291 0.369188 0.572628 -0.0251157  -0.0342691  -0.0301687  94  VAL   B HG21 
3010 H HG22 . VAL   B 82  ? 0.360034 0.367131 0.529185 -0.015839   -0.0331651  -0.040157   94  VAL   B HG22 
3011 H HG23 . VAL   B 82  ? 0.370909 0.370414 0.564398 -0.0210436  -0.0374909  -0.0531205  94  VAL   B HG23 
3012 N N    . ALA   B 83  ? 0.332885 0.341175 0.524046 0.0271387   -0.0488898  -0.0818712  95  ALA   B N    
3013 C CA   . ALA   B 83  ? 0.362273 0.37145  0.567764 0.0420896   -0.0509829  -0.0962951  95  ALA   B CA   
3014 C C    . ALA   B 83  ? 0.354966 0.374292 0.55523  0.0456592   -0.0467235  -0.121165   95  ALA   B C    
3015 O O    . ALA   B 83  ? 0.361752 0.375075 0.575295 0.0572431   -0.0475962  -0.137935   95  ALA   B O    
3016 C CB   . ALA   B 83  ? 0.365047 0.39527  0.571781 0.0498533   -0.049946   -0.0890151  95  ALA   B CB   
3017 H H    . ALA   B 83  ? 0.337301 0.355332 0.517975 0.0241845   -0.0463667  -0.0718959  95  ALA   B H    
3018 H HA   . ALA   B 83  ? 0.378748 0.366753 0.597971 0.0451777   -0.0564615  -0.0951884  95  ALA   B HA   
3019 H HB1  . ALA   B 83  ? 0.365501 0.388193 0.572613 0.0480094   -0.0545958  -0.073739   95  ALA   B HB1  
3020 H HB2  . ALA   B 83  ? 0.345914 0.394125 0.53934  0.0454127   -0.0441287  -0.0898434  95  ALA   B HB2  
3021 H HB3  . ALA   B 83  ? 0.370401 0.403858 0.591188 0.0608468   -0.0506524  -0.0991954  95  ALA   B HB3  
3022 N N    . THR   B 84  ? 0.394725 0.427804 0.573927 0.0372268   -0.0426255  -0.123704   96  THR   B N    
3023 C CA   . THR   B 84  ? 0.385781 0.427177 0.551397 0.0398228   -0.0403673  -0.144827   96  THR   B CA   
3024 C C    . THR   B 84  ? 0.471105 0.49544  0.642505 0.0348267   -0.0492331  -0.15784    96  THR   B C    
3025 O O    . THR   B 84  ? 0.403577 0.43277  0.560895 0.0368161   -0.0504044  -0.176712   96  THR   B O    
3026 C CB   . THR   B 84  ? 0.375761 0.436103 0.513084 0.0344265   -0.0346852  -0.140361   96  THR   B CB   
3027 O OG1  . THR   B 84  ? 0.381292 0.436038 0.51705  0.0249716   -0.0404063  -0.130887   96  THR   B OG1  
3028 C CG2  . THR   B 84  ? 0.351819 0.428848 0.481973 0.0347859   -0.0257592  -0.128791   96  THR   B CG2  
3029 H H    . THR   B 84  ? 0.364291 0.400965 0.535643 0.0303778   -0.0415699  -0.111674   96  THR   B H    
3030 H HA   . THR   B 84  ? 0.409612 0.455161 0.579456 0.0484842   -0.0370462  -0.155251   96  THR   B HA   
3031 H HB   . THR   B 84  ? 0.387387 0.452128 0.512577 0.0372104   -0.0333496  -0.153825   96  THR   B HB   
3033 H HG21 . THR   B 84  ? 0.350839 0.434962 0.461711 0.0309123   -0.0220891  -0.126474   96  THR   B HG21 
3034 H HG22 . THR   B 84  ? 0.345601 0.418913 0.483892 0.032021    -0.0278216  -0.11606    96  THR   B HG22 
3035 H HG23 . THR   B 84  ? 0.360714 0.444988 0.497548 0.041335    -0.0217834  -0.136804   96  THR   B HG23 
3036 N N    . MET   B 85  ? 0.460921 0.466281 0.651134 0.0266821   -0.0554377  -0.148347   97  MET   B N    
3037 C CA   . MET   B 85  ? 0.439157 0.433896 0.638453 0.0171156   -0.0638834  -0.159529   97  MET   B CA   
3038 C C    . MET   B 85  ? 0.479613 0.444342 0.699547 0.0194867   -0.0700559  -0.174877   97  MET   B C    
3039 O O    . MET   B 85  ? 0.477648 0.42309  0.711174 0.0263327   -0.0689736  -0.167262   97  MET   B O    
3040 C CB   . MET   B 85  ? 0.407307 0.401385 0.617704 0.00295068  -0.0639821  -0.13944    97  MET   B CB   
3041 C CG   . MET   B 85  ? 0.380771 0.400233 0.573839 0.00032495  -0.0586249  -0.126446   97  MET   B CG   
3042 S SD   . MET   B 85  ? 0.36074  0.380274 0.570142 -0.0147129  -0.0546173  -0.105908   97  MET   B SD   
3043 C CE   . MET   B 85  ? 0.47051  0.49338  0.704288 -0.0253622  -0.0652189  -0.123987   97  MET   B CE   
3044 H H    . MET   B 85  ? 0.450388 0.449817 0.647986 0.0260229   -0.0544771  -0.134512   97  MET   B H    
3045 H HA   . MET   B 85  ? 0.443583 0.450793 0.628943 0.0175389   -0.065542   -0.170333   97  MET   B HA   
3046 H HB2  . MET   B 85  ? 0.415404 0.396351 0.633987 0.00245799  -0.0619129  -0.12729    97  MET   B HB2  
3047 H HB3  . MET   B 85  ? 0.424015 0.412373 0.646349 -0.0045879  -0.0695458  -0.147135   97  MET   B HB3  
3048 H HG2  . MET   B 85  ? 0.378031 0.408637 0.562625 0.00119206  -0.0620997  -0.136398   97  MET   B HG2  
3049 H HG3  . MET   B 85  ? 0.368892 0.393339 0.549969 0.00606549  -0.053433   -0.119879   97  MET   B HG3  
3050 H HE1  . MET   B 85  ? 0.440619 0.467994 0.688455 -0.0348518  -0.0622963  -0.115672   97  MET   B HE1  
3051 H HE2  . MET   B 85  ? 0.461421 0.467283 0.704299 -0.0263362  -0.0696211  -0.132844   97  MET   B HE2  
3052 H HE3  . MET   B 85  ? 0.439591 0.476977 0.663714 -0.0209829  -0.0698041  -0.133607   97  MET   B HE3  
3053 N N    . LYS   B 86  ? 0.528761 0.486698 0.752361 0.0130458   -0.0786107  -0.195823   98  LYS   B N    
3054 C CA   . LYS   B 86  ? 0.608336 0.532493 0.851332 0.0122139   -0.0857417  -0.213985   98  LYS   B CA   
3055 C C    . LYS   B 86  ? 0.623911 0.529437 0.892323 -0.00766979 -0.0919037  -0.204997   98  LYS   B C    
3056 O O    . LYS   B 86  ? 0.565693 0.492458 0.836619 -0.0203512  -0.0914005  -0.191725   98  LYS   B O    
3057 C CB   . LYS   B 86  ? 0.64364  0.572248 0.870938 0.0162422   -0.0916686  -0.247068   98  LYS   B CB   
3058 C CG   . LYS   B 86  ? 0.763383 0.714445 0.962479 0.0327308   -0.0817629  -0.254145   98  LYS   B CG   
3059 C CD   . LYS   B 86  ? 0.95033  0.907778 1.12317  0.0370572   -0.0850806  -0.285427   98  LYS   B CD   
3060 C CE   . LYS   B 86  ? 0.991517 0.967433 1.14022  0.0526095   -0.0704686  -0.291665   98  LYS   B CE   
3061 N NZ   . LYS   B 86  ? 0.978468 0.947573 1.10714  0.0588746   -0.0717187  -0.326843   98  LYS   B NZ   
3062 H H    . LYS   B 86  ? 0.523231 0.497283 0.736725 0.00889872  -0.0811263  -0.199505   98  LYS   B H    
3063 H HA   . LYS   B 86  ? 0.610527 0.520453 0.859537 0.0219764   -0.0824619  -0.211285   98  LYS   B HA   
3064 H HB2  . LYS   B 86  ? 0.662939 0.604141 0.88631  0.00676101  -0.0978863  -0.249973   98  LYS   B HB2  
3065 H HB3  . LYS   B 86  ? 0.696164 0.600291 0.93486  0.0172026   -0.095707   -0.261651   98  LYS   B HB3  
3066 H HG2  . LYS   B 86  ? 0.767056 0.70905  0.974879 0.0426208   -0.0761158  -0.252555   98  LYS   B HG2  
3067 H HG3  . LYS   B 86  ? 0.732888 0.704203 0.921229 0.0309437   -0.0777652  -0.238579   98  LYS   B HG3  
3068 H HD2  . LYS   B 86  ? 0.913806 0.884773 1.07449  0.0292561   -0.0914983  -0.284769   98  LYS   B HD2  
3069 H HD3  . LYS   B 86  ? 0.948163 0.884084 1.13141  0.0368805   -0.0905265  -0.302884   98  LYS   B HD3  
3070 H HE2  . LYS   B 86  ? 0.959814 0.931251 1.12417  0.0604133   -0.0635977  -0.285018   98  LYS   B HE2  
3071 H HE3  . LYS   B 86  ? 0.948829 0.94542  1.07898  0.0504332   -0.0670652  -0.280419   98  LYS   B HE3  
3072 H HZ1  . LYS   B 86  ? 1.01393  0.961003 1.15987  0.0604478   -0.0756973  -0.338669   98  LYS   B HZ1  
3073 H HZ2  . LYS   B 86  ? 1.00189  0.977178 1.11306  0.0520395   -0.079358   -0.332506   98  LYS   B HZ2  
3074 H HZ3  . LYS   B 86  ? 0.998287 0.978947 1.11371  0.0680185   -0.0608231  -0.331939   98  LYS   B HZ3  
3075 N N    . LYS   B 87  ? 0.618183 0.483168 0.907083 -0.0101816  -0.0961641  -0.211241   99  LYS   B N    
3076 C CA   . LYS   B 87  ? 0.642895 0.483791 0.957631 -0.031745   -0.100101   -0.202625   99  LYS   B CA   
3077 C C    . LYS   B 87  ? 0.644495 0.509144 0.965421 -0.0478223  -0.108687   -0.220218   99  LYS   B C    
3078 O O    . LYS   B 87  ? 0.681571 0.548821 0.992953 -0.042849   -0.117594   -0.249878   99  LYS   B O    
3079 C CB   . LYS   B 87  ? 0.635172 0.421872 0.96892  -0.0326407  -0.105622   -0.213054   99  LYS   B CB   
3080 H H    . LYS   B 87  ? 0.645172 0.496101 0.93247  0.00199902  -0.0959383  -0.221396   99  LYS   B H    
3081 H HA   . LYS   B 87  ? 0.615622 0.460889 0.932171 -0.0368839  -0.0940835  -0.179016   99  LYS   B HA   
3084 N N    . GLY   B 88  ? 0.610293 0.496339 0.945308 -0.0650999  -0.105754   -0.202163   100 GLY   B N    
3085 C CA   . GLY   B 88  ? 0.605144 0.52018  0.953771 -0.0795759  -0.115576   -0.216956   100 GLY   B CA   
3086 C C    . GLY   B 88  ? 0.576214 0.538633 0.904882 -0.0702365  -0.115143   -0.212819   100 GLY   B C    
3087 O O    . GLY   B 88  ? 0.501456 0.494054 0.845198 -0.0803769  -0.122424   -0.217213   100 GLY   B O    
3088 H H    . GLY   B 88  ? 0.602671 0.486649 0.939412 -0.0673213  -0.0977033  -0.180895   100 GLY   B H    
3089 H HA2  . GLY   B 88  ? 0.61283  0.525529 0.984954 -0.0961283  -0.11349    -0.207591   100 GLY   B HA2  
3090 H HA3  . GLY   B 88  ? 0.632079 0.537157 0.981152 -0.0798823  -0.125488   -0.239909   100 GLY   B HA3  
3091 N N    . GLU   B 89  ? 0.54258  0.511431 0.839949 -0.0510681  -0.10697    -0.203683   101 GLU   B N    
3092 C CA   . GLU   B 89  ? 0.491533 0.496362 0.76533  -0.0416067  -0.107513   -0.201701   101 GLU   B CA   
3093 C C    . GLU   B 89  ? 0.45219  0.480673 0.738997 -0.0490452  -0.0997928  -0.178471   101 GLU   B C    
3094 O O    . GLU   B 89  ? 0.4658   0.483125 0.763956 -0.0556956  -0.0878208  -0.157795   101 GLU   B O    
3095 C CB   . GLU   B 89  ? 0.477284 0.47931  0.717307 -0.0226206  -0.0990672  -0.198933   101 GLU   B CB   
3096 C CG   . GLU   B 89  ? 0.456635 0.487215 0.665489 -0.0126536  -0.0977249  -0.195257   101 GLU   B CG   
3097 C CD   . GLU   B 89  ? 0.459329 0.488159 0.641201 0.00133252  -0.0860959  -0.18969    101 GLU   B CD   
3098 O OE1  . GLU   B 89  ? 0.43525  0.448096 0.614236 0.00832025  -0.0853207  -0.205741   101 GLU   B OE1  
3099 O OE2  . GLU   B 89  ? 0.404645 0.448071 0.569916 0.00531915  -0.0777884  -0.172264   101 GLU   B OE2  
3100 H H    . GLU   B 89  ? 0.544356 0.494463 0.836116 -0.0441417  -0.101393   -0.198277   101 GLU   B H    
3101 H HA   . GLU   B 89  ? 0.504674 0.519792 0.776237 -0.0428115  -0.118546   -0.218532   101 GLU   B HA   
3102 H HB2  . GLU   B 89  ? 0.499013 0.487291 0.733556 -0.0176359  -0.10231    -0.215159   101 GLU   B HB2  
3103 H HB3  . GLU   B 89  ? 0.469833 0.462636 0.713504 -0.021514   -0.0904519  -0.183274   101 GLU   B HB3  
3104 H HG2  . GLU   B 89  ? 0.441545 0.485082 0.656822 -0.0166558  -0.0953606  -0.181558   101 GLU   B HG2  
3105 H HG3  . GLU   B 89  ? 0.473059 0.511238 0.672851 -0.0118517  -0.107201   -0.210369   101 GLU   B HG3  
3106 N N    . ILE   B 90  ? 0.439695 0.500443 0.72129  -0.0460047  -0.106846   -0.182268   102 ILE   B N    
3107 C CA   . ILE   B 90  ? 0.409158 0.494708 0.696711 -0.0462172  -0.0984866  -0.163235   102 ILE   B CA   
3108 C C    . ILE   B 90  ? 0.420171 0.516615 0.669586 -0.0287533  -0.0972947  -0.158825   102 ILE   B C    
3109 O O    . ILE   B 90  ? 0.449703 0.553007 0.678693 -0.0207261  -0.109665   -0.173222   102 ILE   B O    
3110 C CB   . ILE   B 90  ? 0.432107 0.547706 0.755987 -0.0573522  -0.107157   -0.168791   102 ILE   B CB   
3111 C CG1  . ILE   B 90  ? 0.518015 0.622235 0.881731 -0.0790129  -0.105409   -0.171095   102 ILE   B CG1  
3112 C CG2  . ILE   B 90  ? 0.408499 0.550265 0.736004 -0.0522658  -0.0967764  -0.151432   102 ILE   B CG2  
3113 C CD1  . ILE   B 90  ? 0.506532 0.643191 0.913468 -0.0931654  -0.117228   -0.183366   102 ILE   B CD1  
3114 H H    . ILE   B 90  ? 0.450082 0.516621 0.723278 -0.0428002  -0.117535   -0.197486   102 ILE   B H    
3115 H HA   . ILE   B 90  ? 0.412117 0.487356 0.704502 -0.0502297  -0.0870997  -0.149143   102 ILE   B HA   
3116 H HB   . ILE   B 90  ? 0.449058 0.574614 0.76763  -0.0533492  -0.121127   -0.183186   102 ILE   B HB   
3117 H HG12 . ILE   B 90  ? 0.488691 0.585967 0.856888 -0.0836806  -0.091473   -0.154811   102 ILE   B HG12 
3118 H HG13 . ILE   B 90  ? 0.514063 0.594353 0.871645 -0.0802143  -0.109849   -0.180571   102 ILE   B HG13 
3119 H HG21 . ILE   B 90  ? 0.408598 0.572216 0.764916 -0.0590707  -0.100784   -0.154888   102 ILE   B HG21 
3120 H HG22 . ILE   B 90  ? 0.40126  0.532245 0.726563 -0.0550662  -0.0828255  -0.137609   102 ILE   B HG22 
3121 H HG23 . ILE   B 90  ? 0.402229 0.549222 0.705386 -0.0393599  -0.100051   -0.151187   102 ILE   B HG23 
3122 H HD11 . ILE   B 90  ? 0.521587 0.664866 0.922389 -0.0888551  -0.133167   -0.199961   102 ILE   B HD11 
3123 H HD12 . ILE   B 90  ? 0.525001 0.651034 0.956813 -0.109272   -0.114118   -0.183761   102 ILE   B HD12 
3124 H HD13 . ILE   B 90  ? 0.493984 0.655939 0.91073  -0.0907339  -0.112198   -0.174645   102 ILE   B HD13 
3125 N N    . ALA   B 91  ? 0.355603 0.4511   0.593463 -0.0246178  -0.0823679  -0.138708   103 ALA   B N    
3126 C CA   . ALA   B 91  ? 0.355322 0.455834 0.557788 -0.0109141  -0.0792685  -0.132734   103 ALA   B CA   
3127 C C    . ALA   B 91  ? 0.292395 0.406417 0.498289 -0.0096455  -0.0700679  -0.1166     103 ALA   B C    
3128 O O    . ALA   B 91  ? 0.340519 0.456656 0.570386 -0.0192703  -0.0609734  -0.107683   103 ALA   B O    
3129 C CB   . ALA   B 91  ? 0.363761 0.444956 0.54272  -0.00556864 -0.0703073  -0.12881    103 ALA   B CB   
3130 H H    . ALA   B 91  ? 0.363609 0.453957 0.61425  -0.0312916  -0.0741347  -0.12874    103 ALA   B H    
3131 H HA   . ALA   B 91  ? 0.355719 0.463752 0.547651 -0.00590548 -0.0893528  -0.142662   103 ALA   B HA   
3132 H HB1  . ALA   B 91  ? 0.374319 0.44755  0.552175 -0.004675   -0.0750985  -0.140722   103 ALA   B HB1  
3133 H HB2  . ALA   B 91  ? 0.355112 0.428763 0.542725 -0.00973921 -0.0627512  -0.118632   103 ALA   B HB2  
3134 H HB3  . ALA   B 91  ? 0.356478 0.441182 0.513338 0.00111903  -0.0674475  -0.124897   103 ALA   B HB3  
3135 N N    . HIS   B 92  ? 0.27255  0.393114 0.453129 0.00184228  -0.0720608  -0.113807   104 HIS   B N    
3136 C CA   . HIS   B 92  ? 0.281016 0.407019 0.456307 0.00672491  -0.0626814  -0.100509   104 HIS   B CA   
3137 C C    . HIS   B 92  ? 0.325283 0.433096 0.465814 0.0104303   -0.0521406  -0.0910449  104 HIS   B C    
3138 O O    . HIS   B 92  ? 0.350401 0.450444 0.465475 0.0149154   -0.0556699  -0.0954336  104 HIS   B O    
3139 C CB   . HIS   B 92  ? 0.326257 0.468228 0.499551 0.0179399   -0.0744698  -0.103571   104 HIS   B CB   
3140 C CG   . HIS   B 92  ? 0.326666 0.495769 0.543    0.0147271   -0.084058   -0.111387   104 HIS   B CG   
3141 N ND1  . HIS   B 92  ? 0.307424 0.496605 0.531229 0.0260017   -0.0995423  -0.115867   104 HIS   B ND1  
3142 C CD2  . HIS   B 92  ? 0.344125 0.524588 0.599994 0.00076612  -0.0806106  -0.114972   104 HIS   B CD2  
3143 C CE1  . HIS   B 92  ? 0.327473 0.54507  0.599226 0.0190868   -0.105326   -0.123544   104 HIS   B CE1  
3144 N NE2  . HIS   B 92  ? 0.329541 0.541527 0.621247 0.00200287  -0.092765   -0.123158   104 HIS   B NE2  
3145 H H    . HIS   B 92  ? 0.291794 0.411123 0.45572  0.00696206  -0.0795866  -0.120942   104 HIS   B H    
3146 H HA   . HIS   B 92  ? 0.286003 0.416517 0.481626 0.00026615  -0.0554687  -0.0957785  104 HIS   B HA   
3147 H HB2  . HIS   B 92  ? 0.328555 0.465766 0.481092 0.0226618   -0.083063   -0.108746   104 HIS   B HB2  
3148 H HB3  . HIS   B 92  ? 0.3144   0.453299 0.476931 0.0234541   -0.0676957  -0.0951381  104 HIS   B HB3  
3150 H HD2  . HIS   B 92  ? 0.330657 0.499955 0.590354 -0.00844665 -0.0718728  -0.111856   104 HIS   B HD2  
3151 H HE1  . HIS   B 92  ? 0.330253 0.568536 0.619292 0.0251006   -0.117225   -0.128263   104 HIS   B HE1  
3153 N N    . LEU   B 93  ? 0.284125 0.386938 0.423681 0.00718458  -0.0386943  -0.0790499  105 LEU   B N    
3154 C CA   . LEU   B 93  ? 0.324279 0.413088 0.434601 0.00872656  -0.0301403  -0.0708686  105 LEU   B CA   
3155 C C    . LEU   B 93  ? 0.338266 0.426406 0.439609 0.012989    -0.0229333  -0.0637135  105 LEU   B C    
3156 O O    . LEU   B 93  ? 0.30489  0.402469 0.425865 0.0114961   -0.0174231  -0.0617992  105 LEU   B O    
3157 C CB   . LEU   B 93  ? 0.334416 0.414447 0.447995 0.00073534  -0.0231566  -0.0647017  105 LEU   B CB   
3158 C CG   . LEU   B 93  ? 0.31621  0.391202 0.441636 -0.00177545 -0.0288213  -0.0710008  105 LEU   B CG   
3159 C CD1  . LEU   B 93  ? 0.31982  0.384407 0.446919 -0.00705022 -0.023249   -0.0603208  105 LEU   B CD1  
3160 C CD2  . LEU   B 93  ? 0.331394 0.40551  0.439265 0.00461102  -0.0326728  -0.0796429  105 LEU   B CD2  
3161 H H    . LEU   B 93  ? 0.296853 0.406079 0.454571 0.00293692  -0.0346893  -0.0765446  105 LEU   B H    
3162 H HA   . LEU   B 93  ? 0.325591 0.410801 0.41968  0.0124124   -0.0339771  -0.0743755  105 LEU   B HA   
3163 H HB2  . LEU   B 93  ? 0.324604 0.40669  0.448991 -0.00355619 -0.0181365  -0.0597471  105 LEU   B HB2  
3164 H HB3  . LEU   B 93  ? 0.325506 0.399623 0.42154  0.00138703  -0.018917   -0.0602195  105 LEU   B HB3  
3165 H HG   . LEU   B 93  ? 0.325688 0.404436 0.468923 -0.00420895 -0.0333931  -0.0762681  105 LEU   B HG   
3166 H HD11 . LEU   B 93  ? 0.320212 0.384708 0.455188 -0.0122241  -0.019283   -0.0541681  105 LEU   B HD11 
3167 H HD12 . LEU   B 93  ? 0.323794 0.38272  0.459323 -0.00675622 -0.0272194  -0.063954   105 LEU   B HD12 
3168 H HD13 . LEU   B 93  ? 0.316373 0.37979  0.427831 -0.00551552 -0.0200065  -0.0560917  105 LEU   B HD13 
3169 H HD21 . LEU   B 93  ? 0.332895 0.411897 0.436472 0.00788174  -0.0376754  -0.0856247  105 LEU   B HD21 
3170 H HD22 . LEU   B 93  ? 0.325985 0.398362 0.41847  0.00546312  -0.0277102  -0.07452    105 LEU   B HD22 
3171 H HD23 . LEU   B 93  ? 0.33197  0.402329 0.447695 0.0045144   -0.0349459  -0.0847432  105 LEU   B HD23 
3172 N N    . LEU   B 94  ? 0.29059  0.366489 0.362479 0.0177015   -0.0216103  -0.0606024  106 LEU   B N    
3173 C CA   . LEU   B 94  ? 0.342621 0.408206 0.399812 0.0208065   -0.0135038  -0.054462   106 LEU   B CA   
3174 C C    . LEU   B 94  ? 0.372069 0.423498 0.406761 0.0128922   -0.00595717 -0.0495156  106 LEU   B C    
3175 O O    . LEU   B 94  ? 0.332929 0.381017 0.354442 0.0105139   -0.0083499  -0.0503893  106 LEU   B O    
3176 C CB   . LEU   B 94  ? 0.334533 0.392594 0.37578  0.0323247   -0.0202139  -0.0541836  106 LEU   B CB   
3177 C CG   . LEU   B 94  ? 0.349292 0.39327  0.380309 0.0392955   -0.0136084  -0.0500092  106 LEU   B CG   
3178 C CD1  . LEU   B 94  ? 0.337668 0.399922 0.40092  0.043682    -0.00871629 -0.0535271  106 LEU   B CD1  
3179 C CD2  . LEU   B 94  ? 0.416841 0.445577 0.426661 0.0508868   -0.0222487  -0.0467457  106 LEU   B CD2  
3180 H H    . LEU   B 94  ? 0.317317 0.389859 0.377222 0.0184537   -0.0252461  -0.0629032  106 LEU   B H    
3181 H HA   . LEU   B 94  ? 0.329805 0.401844 0.401757 0.0202591   -0.00877244 -0.0539255  106 LEU   B HA   
3182 H HB2  . LEU   B 94  ? 0.340581 0.410769 0.396557 0.0373895   -0.0285225  -0.0582783  106 LEU   B HB2  
3183 H HB3  . LEU   B 94  ? 0.347788 0.397262 0.369655 0.0309086   -0.0220074  -0.0531539  106 LEU   B HB3  
3184 H HG   . LEU   B 94  ? 0.357563 0.389695 0.374437 0.0326782   -0.00586826 -0.0472981  106 LEU   B HG   
3185 H HD11 . LEU   B 94  ? 0.329467 0.39626  0.399247 0.034947    -0.00134938 -0.0532214  106 LEU   B HD11 
3186 H HD12 . LEU   B 94  ? 0.35111  0.404547 0.408871 0.0507351   -0.00468584 -0.0528168  106 LEU   B HD12 
3187 H HD13 . LEU   B 94  ? 0.335594 0.413775 0.418113 0.0479429   -0.0167991  -0.0570409  106 LEU   B HD13 
3188 H HD21 . LEU   B 94  ? 0.410018 0.427411 0.398278 0.0459732   -0.0221225  -0.0439049  106 LEU   B HD21 
3189 H HD22 . LEU   B 94  ? 0.404115 0.445471 0.425914 0.0576342   -0.0321225  -0.049514   106 LEU   B HD22 
3190 H HD23 . LEU   B 94  ? 0.415242 0.432119 0.420231 0.0565928   -0.018305   -0.0446625  106 LEU   B HD23 
3191 N N    . ILE   B 95  ? 0.332922 0.379024 0.364151 0.00850727  0.00318965  -0.0456885  107 ILE   B N    
3192 C CA   . ILE   B 95  ? 0.334544 0.373276 0.351147 -0.00094974 0.00739858  -0.0419849  107 ILE   B CA   
3193 C C    . ILE   B 95  ? 0.342238 0.364091 0.3358   -0.00268106 0.01459     -0.0409321  107 ILE   B C    
3194 O O    . ILE   B 95  ? 0.376842 0.396419 0.371006 -0.00015344 0.0214985   -0.0418829  107 ILE   B O    
3195 C CB   . ILE   B 95  ? 0.356251 0.403186 0.387536 -0.00702884 0.00898961  -0.0385602  107 ILE   B CB   
3196 C CG1  . ILE   B 95  ? 0.333916 0.391412 0.389745 -0.00610018 0.00157258  -0.041037   107 ILE   B CG1  
3197 C CG2  . ILE   B 95  ? 0.333101 0.374547 0.349062 -0.0151325  0.00969819  -0.0338989  107 ILE   B CG2  
3198 C CD1  . ILE   B 95  ? 0.346634 0.407181 0.419266 -0.0119957  0.00434662  -0.0359769  107 ILE   B CD1  
3199 H H    . ILE   B 95  ? 0.344906 0.39344  0.38316  0.0117534   0.00656422  -0.0461292  107 ILE   B H    
3200 H HA   . ILE   B 95  ? 0.33599  0.375036 0.34837  -0.0025923  0.0040028   -0.0426532  107 ILE   B HA   
3201 H HB   . ILE   B 95  ? 0.346945 0.395158 0.38189  -0.00632528 0.0144112   -0.0379958  107 ILE   B HB   
3202 H HG12 . ILE   B 95  ? 0.336583 0.393518 0.38985  -0.00676462 -0.0022574  -0.0419685  107 ILE   B HG12 
3203 H HG13 . ILE   B 95  ? 0.337876 0.399747 0.400563 -0.00113557 -0.00144859 -0.0455443  107 ILE   B HG13 
3204 H HG21 . ILE   B 95  ? 0.339629 0.384507 0.363689 -0.0178086  0.00819196  -0.0301686  107 ILE   B HG21 
3205 H HG22 . ILE   B 95  ? 0.339132 0.380671 0.35105  -0.0158141  0.00622786  -0.0353878  107 ILE   B HG22 
3206 H HG23 . ILE   B 95  ? 0.351107 0.385613 0.353155 -0.0170778  0.0147735   -0.0334071  107 ILE   B HG23 
3207 H HD11 . ILE   B 95  ? 0.345792 0.409914 0.422413 -0.0120875  0.0102323   -0.0355537  107 ILE   B HD11 
3208 H HD12 . ILE   B 95  ? 0.3395   0.403292 0.427773 -0.0118519  -0.00074268 -0.0387343  107 ILE   B HD12 
3209 H HD13 . ILE   B 95  ? 0.346796 0.402009 0.410386 -0.0161389  0.00543955  -0.030393   107 ILE   B HD13 
3210 N N    . LYS   B 96  ? 0.365337 0.376249 0.339915 -0.00889351 0.0143281   -0.040189   108 LYS   B N    
3211 C CA   . LYS   B 96  ? 0.377222 0.368378 0.328931 -0.0143665  0.0199995   -0.0409734  108 LYS   B CA   
3212 C C    . LYS   B 96  ? 0.391382 0.386866 0.33879  -0.0235049  0.0217484   -0.0407044  108 LYS   B C    
3213 O O    . LYS   B 96  ? 0.386045 0.397615 0.346318 -0.0264553  0.0172103   -0.0372617  108 LYS   B O    
3214 C CB   . LYS   B 96  ? 0.416212 0.395079 0.351494 -0.0220817  0.019361    -0.0400955  108 LYS   B CB   
3215 C CG   . LYS   B 96  ? 0.459766 0.424805 0.385359 -0.0149262  0.0184866   -0.0376107  108 LYS   B CG   
3216 C CD   . LYS   B 96  ? 0.493511 0.448936 0.402818 -0.0272305  0.0210219   -0.0349067  108 LYS   B CD   
3217 C CE   . LYS   B 96  ? 0.569916 0.507023 0.460763 -0.0226656  0.0210931   -0.0291847  108 LYS   B CE   
3218 N NZ   . LYS   B 96  ? 0.579217 0.509153 0.456123 -0.0398459  0.0275374   -0.0263747  108 LYS   B NZ   
3219 H H    . LYS   B 96  ? 0.354701 0.370705 0.331185 -0.0106213  0.0109757   -0.0401055  108 LYS   B H    
3220 H HA   . LYS   B 96  ? 0.396192 0.37818  0.345041 -0.007444   0.0232465   -0.0425851  108 LYS   B HA   
3221 H HB2  . LYS   B 96  ? 0.405729 0.39817  0.348483 -0.0272814  0.0166919   -0.0395105  108 LYS   B HB2  
3222 H HB3  . LYS   B 96  ? 0.431175 0.397318 0.353379 -0.0282967  0.0223048   -0.0416241  108 LYS   B HB3  
3223 H HG2  . LYS   B 96  ? 0.472026 0.421445 0.390437 -0.00873034 0.0202628   -0.037912   108 LYS   B HG2  
3224 H HG3  . LYS   B 96  ? 0.445423 0.423113 0.382184 -0.0085128  0.0145074   -0.0374464  108 LYS   B HG3  
3225 H HD2  . LYS   B 96  ? 0.485742 0.459883 0.405557 -0.0322     0.0200033   -0.0358866  108 LYS   B HD2  
3226 H HD3  . LYS   B 96  ? 0.513846 0.456849 0.413897 -0.0350798  0.0240533   -0.0360958  108 LYS   B HD3  
3227 H HE2  . LYS   B 96  ? 0.57262  0.489625 0.454016 -0.0159198  0.0208675   -0.0275947  108 LYS   B HE2  
3228 H HE3  . LYS   B 96  ? 0.54558  0.495562 0.442672 -0.0160678  0.0172803   -0.0290076  108 LYS   B HE3  
3229 H HZ1  . LYS   B 96  ? 0.592046 0.508816 0.463136 -0.0469822  0.0300659   -0.027381   108 LYS   B HZ1  
3230 H HZ2  . LYS   B 96  ? 0.564803 0.51602  0.453674 -0.0449303  0.0280166   -0.0287902  108 LYS   B HZ2  
3231 H HZ3  . LYS   B 96  ? 0.599462 0.516858 0.461678 -0.0386638  0.028691    -0.0213827  108 LYS   B HZ3  
3232 N N    . PRO   B 97  ? 0.419559 0.398222 0.346191 -0.0272954  0.0276061   -0.0444986  109 PRO   B N    
3233 C CA   . PRO   B 97  ? 0.390178 0.372046 0.305957 -0.0347463  0.0290088   -0.044495   109 PRO   B CA   
3234 C C    . PRO   B 97  ? 0.36408  0.357754 0.280158 -0.0453544  0.0188743   -0.0408031  109 PRO   B C    
3235 O O    . PRO   B 97  ? 0.373176 0.375659 0.287533 -0.0481064  0.0156444   -0.0360478  109 PRO   B O    
3236 C CB   . PRO   B 97  ? 0.468027 0.425866 0.357584 -0.0364014  0.0368539   -0.0530512  109 PRO   B CB   
3237 C CG   . PRO   B 97  ? 0.4564   0.393915 0.343751 -0.030823   0.0380819   -0.0559473  109 PRO   B CG   
3238 C CD   . PRO   B 97  ? 0.466122 0.419848 0.378063 -0.0216292  0.0334108   -0.0494104  109 PRO   B CD   
3239 H HA   . PRO   B 97  ? 0.394878 0.385574 0.319831 -0.0307468  0.031924    -0.042057   109 PRO   B HA   
3240 H HB2  . PRO   B 97  ? 0.463938 0.418062 0.338909 -0.0459714  0.0337436   -0.0549565  109 PRO   B HB2  
3241 H HB3  . PRO   B 97  ? 0.458692 0.417028 0.346894 -0.031464   0.0440885   -0.054961   109 PRO   B HB3  
3242 H HG2  . PRO   B 97  ? 0.478334 0.406448 0.355535 -0.039786   0.0349934   -0.0569643  109 PRO   B HG2  
3243 H HG3  . PRO   B 97  ? 0.485576 0.409401 0.36612  -0.0241373  0.044565    -0.0609     109 PRO   B HG3  
3244 H HD2  . PRO   B 97  ? 0.455932 0.401213 0.364072 -0.0226563  0.0308265   -0.0479959  109 PRO   B HD2  
3245 H HD3  . PRO   B 97  ? 0.450823 0.406729 0.371902 -0.0114644  0.0365324   -0.0502754  109 PRO   B HD3  
3246 N N    . GLU   B 98  ? 0.36202  0.356898 0.281343 -0.0509203  0.0141173   -0.0421927  110 GLU   B N    
3247 C CA   . GLU   B 98  ? 0.399765 0.412465 0.327436 -0.0595494  0.00430433  -0.0403829  110 GLU   B CA   
3248 C C    . GLU   B 98  ? 0.361547 0.394679 0.313173 -0.0522378  -0.00213562 -0.033828   110 GLU   B C    
3249 O O    . GLU   B 98  ? 0.357319 0.404594 0.316157 -0.0553655  -0.0119356  -0.030725   110 GLU   B O    
3250 C CB   . GLU   B 98  ? 0.408078 0.423255 0.340903 -0.067355   0.00434007  -0.0435369  110 GLU   B CB   
3251 C CG   . GLU   B 98  ? 0.498308 0.487929 0.407199 -0.0782279  0.00917129  -0.0494506  110 GLU   B CG   
3252 C CD   . GLU   B 98  ? 0.600022 0.559651 0.493494 -0.0695072  0.0186297   -0.0505315  110 GLU   B CD   
3253 O OE1  . GLU   B 98  ? 0.454437 0.415731 0.35738  -0.0560642  0.0211446   -0.046577   110 GLU   B OE1  
3254 O OE2  . GLU   B 98  ? 0.656514 0.589428 0.5281   -0.0756205  0.0222453   -0.056643   110 GLU   B OE2  
3255 H H    . GLU   B 98  ? 0.376234 0.361784 0.293642 -0.0490567  0.0172451   -0.0439497  110 GLU   B H    
3256 H HA   . GLU   B 98  ? 0.403846 0.41364  0.317973 -0.0658706  0.0015096   -0.0417326  110 GLU   B HA   
3257 H HB2  . GLU   B 98  ? 0.409225 0.425274 0.34994  -0.0612094  0.00757007  -0.0422823  110 GLU   B HB2  
3258 H HB3  . GLU   B 98  ? 0.413119 0.44568  0.357608 -0.0718408  -0.00190207 -0.0431171  110 GLU   B HB3  
3259 H HG2  . GLU   B 98  ? 0.50333  0.497668 0.4171   -0.086802   0.00874214  -0.0504042  110 GLU   B HG2  
3260 H HG3  . GLU   B 98  ? 0.513529 0.500469 0.411503 -0.0835566  0.00594599  -0.052336   110 GLU   B HG3  
3261 N N    . TYR   B 99  ? 0.321863 0.355419 0.286684 -0.0422234  0.00169226  -0.0321572  111 TYR   B N    
3262 C CA   . TYR   B 99  ? 0.347757 0.393991 0.334929 -0.0361244  -0.00405205 -0.0275282  111 TYR   B CA   
3263 C C    . TYR   B 99  ? 0.389121 0.429194 0.374915 -0.033804   -0.00045881 -0.0217147  111 TYR   B C    
3264 O O    . TYR   B 99  ? 0.350176 0.394102 0.354199 -0.0298689  -0.0034971  -0.0174138  111 TYR   B O    
3265 C CB   . TYR   B 99  ? 0.335427 0.388756 0.340892 -0.0291921  -0.00375295 -0.0320416  111 TYR   B CB   
3266 C CG   . TYR   B 99  ? 0.320441 0.383915 0.328664 -0.0329065  -0.00429583 -0.0367307  111 TYR   B CG   
3267 C CD1  . TYR   B 99  ? 0.286183 0.340349 0.277819 -0.0383955  0.00208466  -0.0394426  111 TYR   B CD1  
3268 C CD2  . TYR   B 99  ? 0.357415 0.439617 0.386982 -0.0305422  -0.00995964 -0.0383527  111 TYR   B CD2  
3269 C CE1  . TYR   B 99  ? 0.345268 0.409247 0.339118 -0.045311   0.00465001  -0.0425067  111 TYR   B CE1  
3270 C CE2  . TYR   B 99  ? 0.353406 0.450759 0.389277 -0.0353589  -0.00744258 -0.0434427  111 TYR   B CE2  
3271 C CZ   . TYR   B 99  ? 0.37285  0.461867 0.390533 -0.0441531  0.00094091  -0.0452002  111 TYR   B CZ   
3272 O OH   . TYR   B 99  ? 0.351908 0.457356 0.377095 -0.0517297  0.00608259  -0.0492857  111 TYR   B OH   
3273 H H    . TYR   B 99  ? 0.337973 0.363011 0.29875  -0.0389687  0.00713594  -0.0344083  111 TYR   B H    
3274 H HA   . TYR   B 99  ? 0.347864 0.402092 0.338805 -0.0386537  -0.0108489  -0.0253698  111 TYR   B HA   
3275 H HB2  . TYR   B 99  ? 0.331957 0.378395 0.333142 -0.0263002  0.00076655  -0.0339303  111 TYR   B HB2  
3276 H HB3  . TYR   B 99  ? 0.325898 0.384121 0.34574  -0.0251325  -0.00739304 -0.0304142  111 TYR   B HB3  
3277 H HD1  . TYR   B 99  ? 0.317314 0.357336 0.295957 -0.0378948  0.00546551  -0.0388794  111 TYR   B HD1  
3278 H HD2  . TYR   B 99  ? 0.342712 0.427488 0.383136 -0.0261124  -0.0151961  -0.0356477  111 TYR   B HD2  
3279 H HE1  . TYR   B 99  ? 0.35061  0.404378 0.331059 -0.0505829  0.00957301  -0.0427706  111 TYR   B HE1  
3280 H HE2  . TYR   B 99  ? 0.350974 0.463837 0.4046   -0.0323336  -0.0105282  -0.0457026  111 TYR   B HE2  
3282 N N    . ALA   B 100 ? 0.364776 0.394396 0.328536 -0.0375303  0.00708839  -0.0220507  112 ALA   B N    
3283 C CA   . ALA   B 100 ? 0.371598 0.398272 0.331279 -0.0379584  0.0142648   -0.0163892  112 ALA   B CA   
3284 C C    . ALA   B 100 ? 0.427427 0.446182 0.354456 -0.0457811  0.0157495   -0.013587   112 ALA   B C    
3285 O O    . ALA   B 100 ? 0.430382 0.451463 0.350303 -0.0497556  0.00451595  -0.00625738 112 ALA   B O    
3286 C CB   . ALA   B 100 ? 0.370637 0.397163 0.340033 -0.0319395  0.0253521   -0.0220726  112 ALA   B CB   
3287 H H    . ALA   B 100 ? 0.379742 0.403502 0.330412 -0.0403923  0.00886005  -0.0264064  112 ALA   B H    
3288 H HA   . ALA   B 100 ? 0.37349  0.404273 0.346336 -0.037194   0.0100168   -0.010436   112 ALA   B HA   
3289 H HB1  . ALA   B 100 ? 0.354811 0.387516 0.343743 -0.0278378  0.022227    -0.0227661  112 ALA   B HB1  
3290 H HB2  . ALA   B 100 ? 0.374266 0.394442 0.333751 -0.0303819  0.0280314   -0.0279861  112 ALA   B HB2  
3291 H HB3  . ALA   B 100 ? 0.379112 0.40593  0.34566  -0.033543   0.0327845   -0.0194582  112 ALA   B HB3  
3292 N N    . TYR   B 101 ? 0.415403 0.424923 0.321903 -0.04676    0.0282649   -0.0203036  113 TYR   B N    
3293 C CA   . TYR   B 101 ? 0.438411 0.439438 0.308335 -0.0543436  0.0317134   -0.0196135  113 TYR   B CA   
3294 C C    . TYR   B 101 ? 0.432888 0.421601 0.277765 -0.0591717  0.0295156   -0.0319227  113 TYR   B C    
3295 O O    . TYR   B 101 ? 0.489735 0.469396 0.30023  -0.0655262  0.0323808   -0.0355059  113 TYR   B O    
3296 C CB   . TYR   B 101 ? 0.459888 0.460091 0.322608 -0.053164   0.0506471   -0.0193423  113 TYR   B CB   
3297 C CG   . TYR   B 101 ? 0.464982 0.474894 0.349703 -0.0537526  0.0522795   -0.00568146 113 TYR   B CG   
3298 C CD1  . TYR   B 101 ? 0.47942  0.485229 0.34564  -0.061147   0.0469509   0.009367    113 TYR   B CD1  
3299 C CD2  . TYR   B 101 ? 0.415065 0.435791 0.337714 -0.0475772  0.0574167   -0.00747227 113 TYR   B CD2  
3300 C CE1  . TYR   B 101 ? 0.479594 0.487423 0.364064 -0.0635489  0.0497632   0.0229472   113 TYR   B CE1  
3301 C CE2  . TYR   B 101 ? 0.410644 0.437462 0.3552   -0.050837   0.0581472   0.00345555  113 TYR   B CE2  
3302 C CZ   . TYR   B 101 ? 0.431601 0.449893 0.357286 -0.0593195  0.0556438   0.0188924   113 TYR   B CZ   
3303 O OH   . TYR   B 101 ? 0.438693 0.457059 0.385734 -0.0639429  0.0575203   0.030176    113 TYR   B OH   
3304 H H    . TYR   B 101 ? 0.413253 0.421326 0.32748  -0.0418942  0.0345322   -0.0260343  113 TYR   B H    
3305 H HA   . TYR   B 101 ? 0.443012 0.447045 0.308394 -0.0579324  0.0226577   -0.0110042  113 TYR   B HA   
3306 H HB2  . TYR   B 101 ? 0.455261 0.454975 0.327974 -0.0473089  0.0586528   -0.0276373  113 TYR   B HB2  
3307 H HB3  . TYR   B 101 ? 0.488872 0.482447 0.322643 -0.0582306  0.0541736   -0.0202644  113 TYR   B HB3  
3308 H HD1  . TYR   B 101 ? 0.503067 0.502854 0.341839 -0.0651516  0.0418705   0.0105558   113 TYR   B HD1  
3309 H HD2  . TYR   B 101 ? 0.408192 0.430943 0.341871 -0.0414471  0.058755    -0.016129   113 TYR   B HD2  
3310 H HE1  . TYR   B 101 ? 0.494805 0.495868 0.364517 -0.0681576  0.0456572   0.0348779   113 TYR   B HE1  
3311 H HE2  . TYR   B 101 ? 0.394963 0.430222 0.365813 -0.0477706  0.060491    0.00062436  113 TYR   B HE2  
3313 N N    . GLY   B 102 ? 0.438642 0.424746 0.297913 -0.0573154  0.025598    -0.0385742  114 GLY   B N    
3314 C CA   . GLY   B 102 ? 0.47511  0.449003 0.316408 -0.0658933  0.0203912   -0.0483339  114 GLY   B CA   
3315 C C    . GLY   B 102 ? 0.495935 0.446104 0.307422 -0.0665787  0.0325225   -0.0612966  114 GLY   B C    
3316 O O    . GLY   B 102 ? 0.479466 0.424697 0.289682 -0.0571466  0.0474541   -0.0642902  114 GLY   B O    
3317 H H    . GLY   B 102 ? 0.417519 0.40879  0.297853 -0.0514771  0.0263835   -0.0369188  114 GLY   B H    
3318 H HA2  . GLY   B 102 ? 0.452974 0.427081 0.309125 -0.0647133  0.0184326   -0.0495009  114 GLY   B HA2  
3319 H HA3  . GLY   B 102 ? 0.474004 0.454638 0.308245 -0.0729454  0.0102829   -0.0458546  114 GLY   B HA3  
3320 N N    . SER   B 103 ? 0.519648 0.456752 0.307392 -0.0784347  0.0260672   -0.0706681  115 SER   B N    
3321 C CA   . SER   B 103 ? 0.54822  0.457499 0.304825 -0.0795429  0.0368579   -0.0863938  115 SER   B CA   
3322 C C    . SER   B 103 ? 0.53789  0.448375 0.263623 -0.0799786  0.0443296   -0.088648   115 SER   B C    
3323 O O    . SER   B 103 ? 0.613115 0.505041 0.316752 -0.0755038  0.059501    -0.101902   115 SER   B O    
3324 C CB   . SER   B 103 ? 0.599517 0.490832 0.341259 -0.0944645  0.027573    -0.0976106  115 SER   B CB   
3325 O OG   . SER   B 103 ? 0.616111 0.526329 0.34957  -0.108031   0.0104476   -0.094622   115 SER   B OG   
3326 H H    . SER   B 103 ? 0.513534 0.459057 0.305431 -0.0859257  0.0149563   -0.0685872  115 SER   B H    
3327 H HA   . SER   B 103 ? 0.542976 0.443302 0.30966  -0.0696462  0.0465366   -0.0886872  115 SER   B HA   
3328 H HB2  . SER   B 103 ? 0.626643 0.496004 0.34677  -0.094942   0.0345933   -0.109412   115 SER   B HB2  
3329 H HB3  . SER   B 103 ? 0.580995 0.469923 0.340841 -0.0944712  0.0260254   -0.0952305  115 SER   B HB3  
3331 N N    . ALA   B 104 ? 0.526709 0.456772 0.246524 -0.0856298  0.0337172   -0.0762298  116 ALA   B N    
3332 C CA   . ALA   B 104 ? 0.577347 0.507826 0.262795 -0.0873782  0.0412208   -0.0741862  116 ALA   B CA   
3333 C C    . ALA   B 104 ? 0.556414 0.491968 0.255161 -0.0756913  0.0637479   -0.0704456  116 ALA   B C    
3334 O O    . ALA   B 104 ? 0.588314 0.517847 0.257771 -0.0752518  0.0809141   -0.0772019  116 ALA   B O    
3335 C CB   . ALA   B 104 ? 0.603555 0.55027  0.280065 -0.094348   0.0228561   -0.0578183  116 ALA   B CB   
3336 H H    . ALA   B 104 ? 0.513571 0.456062 0.250104 -0.0881328  0.0217816   -0.0685173  116 ALA   B H    
3337 H HA   . ALA   B 104 ? 0.609242 0.524618 0.265343 -0.0921348  0.0440892   -0.0872691  116 ALA   B HA   
3338 H HB1  . ALA   B 104 ? 0.605009 0.551932 0.274231 -0.101805   0.00818001  -0.0618641  116 ALA   B HB1  
3339 H HB2  . ALA   B 104 ? 0.566396 0.525307 0.271759 -0.0895454  0.0195252   -0.0462983  116 ALA   B HB2  
3340 H HB3  . ALA   B 104 ? 0.623819 0.568195 0.272933 -0.0960226  0.0287419   -0.0548353  116 ALA   B HB3  
3341 N N    . GLY   B 105 ? 0.521313 0.470978 0.264151 -0.0675766  0.0632262   -0.0602179  117 GLY   B N    
3342 C CA   . GLY   B 105 ? 0.50152  0.46416  0.266843 -0.0593872  0.0795582   -0.0536578  117 GLY   B CA   
3343 C C    . GLY   B 105 ? 0.534795 0.506105 0.282125 -0.066808   0.0825      -0.0385098  117 GLY   B C    
3344 O O    . GLY   B 105 ? 0.545689 0.515706 0.272721 -0.0749957  0.0659093   -0.0282459  117 GLY   B O    
3345 H H    . GLY   B 105 ? 0.496484 0.448939 0.256743 -0.0679597  0.0521557   -0.0578855  117 GLY   B H    
3346 H HA2  . GLY   B 105 ? 0.475468 0.446385 0.272348 -0.0544499  0.0749435   -0.0488507  117 GLY   B HA2  
3347 H HA3  . GLY   B 105 ? 0.519277 0.476514 0.281102 -0.053883   0.0936883   -0.0641261  117 GLY   B HA3  
3348 N N    . SER   B 106 ? 0.530063 0.510912 0.286963 -0.0637537  0.103812    -0.0363554  118 SER   B N    
3349 C CA   . SER   B 106 ? 0.540729 0.528112 0.28509  -0.0720709  0.110783    -0.0190939  118 SER   B CA   
3350 C C    . SER   B 106 ? 0.557599 0.555618 0.305359 -0.0704363  0.141268    -0.0248764  118 SER   B C    
3351 O O    . SER   B 106 ? 0.526948 0.542189 0.313804 -0.069433   0.151303    -0.0178278  118 SER   B O    
3352 C CB   . SER   B 106 ? 0.531507 0.527473 0.312507 -0.0727518  0.0973043   -0.00102374 118 SER   B CB   
3353 O OG   . SER   B 106 ? 0.547836 0.539242 0.304061 -0.082878   0.0979903   0.0187412   118 SER   B OG   
3354 H H    . SER   B 106 ? 0.523271 0.506759 0.296184 -0.0564742  0.114558    -0.0455733  118 SER   B H    
3355 H HA   . SER   B 106 ? 0.576093 0.554383 0.28333  -0.0788257  0.10492     -0.0158979  118 SER   B HA   
3356 H HB2  . SER   B 106 ? 0.504963 0.498218 0.293026 -0.0707981  0.0801761   -0.00117935 118 SER   B HB2  
3357 H HB3  . SER   B 106 ? 0.500156 0.506469 0.313905 -0.0682509  0.105172    -0.00305121 118 SER   B HB3  
3359 N N    . LEU   B 107 ? 0.587941 0.576808 0.294735 -0.0709735  0.156097    -0.0394568  119 LEU   B N    
3360 C CA   . LEU   B 107 ? 0.59817  0.599016 0.305399 -0.0677688  0.188227    -0.0496724  119 LEU   B CA   
3361 C C    . LEU   B 107 ? 0.659393 0.670472 0.351054 -0.0813445  0.204116    -0.030343   119 LEU   B C    
3362 O O    . LEU   B 107 ? 0.659912 0.657756 0.310992 -0.0932015  0.192263    -0.0131033  119 LEU   B O    
3363 C CB   . LEU   B 107 ? 0.645715 0.628828 0.306518 -0.0647017  0.198388    -0.0725918  119 LEU   B CB   
3364 C CG   . LEU   B 107 ? 0.63042  0.59932  0.309396 -0.0510192  0.189523    -0.092987   119 LEU   B CG   
3365 C CD1  . LEU   B 107 ? 0.659809 0.6062   0.290846 -0.0491984  0.201249    -0.1173     119 LEU   B CD1  
3366 C CD2  . LEU   B 107 ? 0.6004   0.588136 0.341551 -0.0348169  0.199247    -0.0977497  119 LEU   B CD2  
3367 H H    . LEU   B 107 ? 0.603854 0.579304 0.282024 -0.073469   0.145955    -0.044514   119 LEU   B H    
3368 H HA   . LEU   B 107 ? 0.579341 0.59269  0.328391 -0.0587459  0.192831    -0.0547482  119 LEU   B HA   
3369 H HB2  . LEU   B 107 ? 0.673324 0.643566 0.293415 -0.0736813  0.188254    -0.06839    119 LEU   B HB2  
3370 H HB3  . LEU   B 107 ? 0.671604 0.663718 0.326945 -0.063513   0.221823    -0.0787244  119 LEU   B HB3  
3371 H HG   . LEU   B 107 ? 0.607561 0.568025 0.288369 -0.0542005  0.167884    -0.0872086  119 LEU   B HG   
3372 H HD11 . LEU   B 107 ? 0.693173 0.628894 0.28391  -0.0600677  0.1925      -0.114622   119 LEU   B HD11 
3373 H HD12 . LEU   B 107 ? 0.659681 0.592478 0.301622 -0.0414619  0.194618    -0.128804   119 LEU   B HD12 
3374 H HD13 . LEU   B 107 ? 0.687564 0.643273 0.316962 -0.0449955  0.224097    -0.124582   119 LEU   B HD13 
3375 H HD21 . LEU   B 107 ? 0.562844 0.559119 0.332267 -0.0357008  0.186227    -0.0855537  119 LEU   B HD21 
3376 H HD22 . LEU   B 107 ? 0.609459 0.613511 0.358541 -0.0333009  0.219549    -0.0994458  119 LEU   B HD22 
3377 H HD23 . LEU   B 107 ? 0.599917 0.574859 0.344588 -0.0250519  0.197817    -0.111576   119 LEU   B HD23 
3378 N N    . PRO   B 108 ? 0.681785 0.716097 0.400278 -0.0802816  0.23374     -0.0337649  120 PRO   B N    
3379 C CA   . PRO   B 108 ? 0.671063 0.722626 0.433552 -0.0635858  0.248062    -0.0557846  120 PRO   B CA   
3380 C C    . PRO   B 108 ? 0.621236 0.690586 0.453562 -0.0546611  0.234763    -0.0528986  120 PRO   B C    
3381 O O    . PRO   B 108 ? 0.632215 0.711498 0.499022 -0.0380768  0.238234    -0.0696392  120 PRO   B O    
3382 C CB   . PRO   B 108 ? 0.71901  0.79216  0.475549 -0.0676711  0.286781    -0.0611855  120 PRO   B CB   
3383 C CG   . PRO   B 108 ? 0.730841 0.806462 0.471974 -0.088876   0.290413    -0.0332678  120 PRO   B CG   
3384 C CD   . PRO   B 108 ? 0.736123 0.780551 0.43739  -0.095605   0.257066    -0.0174812  120 PRO   B CD   
3385 H HA   . PRO   B 108 ? 0.678813 0.71561  0.423351 -0.055975   0.243245    -0.0700703  120 PRO   B HA   
3386 H HB2  . PRO   B 108 ? 0.696619 0.791814 0.498176 -0.0588867  0.29775     -0.0694145  120 PRO   B HB2  
3387 H HB3  . PRO   B 108 ? 0.752475 0.814604 0.469639 -0.0661952  0.296847    -0.0731823  120 PRO   B HB3  
3388 H HG2  . PRO   B 108 ? 0.705174 0.798163 0.491552 -0.0906874  0.291285    -0.0257999  120 PRO   B HG2  
3389 H HG3  . PRO   B 108 ? 0.774356 0.853667 0.486042 -0.0962387  0.312854    -0.0331947  120 PRO   B HG3  
3390 H HD2  . PRO   B 108 ? 0.715903 0.761074 0.434171 -0.102526   0.247605    -5.26e-06   120 PRO   B HD2  
3391 H HD3  . PRO   B 108 ? 0.773476 0.80423  0.422735 -0.102346   0.260492    -0.0153428  120 PRO   B HD3  
3392 N N    . LYS   B 109 ? 0.653824 0.723095 0.504681 -0.0632196  0.215824    -0.0334553  121 LYS   B N    
3393 C CA   . LYS   B 109 ? 0.589004 0.676282 0.502734 -0.055338   0.204662    -0.0336809  121 LYS   B CA   
3394 C C    . LYS   B 109 ? 0.549966 0.624533 0.473905 -0.0403276  0.181784    -0.0442866  121 LYS   B C    
3395 O O    . LYS   B 109 ? 0.515986 0.606243 0.484679 -0.0279486  0.178721    -0.0522261  121 LYS   B O    
3396 C CB   . LYS   B 109 ? 0.646978 0.735909 0.581004 -0.0680788  0.191768    -0.0129508  121 LYS   B CB   
3397 C CG   . LYS   B 109 ? 0.715957 0.825026 0.666915 -0.0832666  0.216349    -0.00214097 121 LYS   B CG   
3398 C CD   . LYS   B 109 ? 0.740716 0.856681 0.737254 -0.0913708  0.203688    0.0101497   121 LYS   B CD   
3399 C CE   . LYS   B 109 ? 0.77773  0.92302  0.816303 -0.104036   0.22667     0.013414    121 LYS   B CE   
3400 N NZ   . LYS   B 109 ? 0.87173  1.00434  0.868846 -0.123506   0.24627     0.0319187   121 LYS   B NZ   
3401 H H    . LYS   B 109 ? 0.648046 0.705516 0.472274 -0.0731934  0.209102    -0.0206742  121 LYS   B H    
3402 H HA   . LYS   B 109 ? 0.60311  0.711865 0.544803 -0.0510674  0.221156    -0.0412206  121 LYS   B HA   
3403 H HB2  . LYS   B 109 ? 0.647913 0.717614 0.551244 -0.0735328  0.179683    -0.00354526 121 LYS   B HB2  
3404 H HB3  . LYS   B 109 ? 0.606672 0.701738 0.573956 -0.0615766  0.178908    -0.0157217  121 LYS   B HB3  
3405 H HG2  . LYS   B 109 ? 0.717375 0.847041 0.687874 -0.0783336  0.233777    -0.0135216  121 LYS   B HG2  
3406 H HG3  . LYS   B 109 ? 0.749574 0.845939 0.661412 -0.0931522  0.223458    0.00763381  121 LYS   B HG3  
3407 H HD2  . LYS   B 109 ? 0.745688 0.841186 0.719342 -0.0988015  0.192914    0.0239803   121 LYS   B HD2  
3408 H HD3  . LYS   B 109 ? 0.702055 0.821693 0.723656 -0.0809917  0.18849     0.00206611  121 LYS   B HD3  
3409 H HE2  . LYS   B 109 ? 0.760441 0.909559 0.831699 -0.107426   0.215442    0.0169715   121 LYS   B HE2  
3410 H HE3  . LYS   B 109 ? 0.776492 0.944887 0.836054 -0.0965311  0.239926    -0.0001225  121 LYS   B HE3  
3411 H HZ1  . LYS   B 109 ? 0.861867 0.973842 0.845491 -0.130103   0.233272    0.0457234   121 LYS   B HZ1  
3412 H HZ2  . LYS   B 109 ? 0.877683 1.00342  0.838097 -0.120576   0.254043    0.0286768   121 LYS   B HZ2  
3413 H HZ3  . LYS   B 109 ? 0.866122 1.018    0.886961 -0.132464   0.264013    0.0331941   121 LYS   B HZ3  
3414 N N    . ILE   B 110 ? 0.510715 0.55881  0.396917 -0.0430799  0.163128    -0.0417062  122 ILE   B N    
3415 C CA   . ILE   B 110 ? 0.483418 0.519684 0.379825 -0.0334745  0.142357    -0.047832   122 ILE   B CA   
3416 C C    . ILE   B 110 ? 0.531258 0.543379 0.387827 -0.0300037  0.142754    -0.0620527  122 ILE   B C    
3417 O O    . ILE   B 110 ? 0.506475 0.503949 0.319648 -0.0408092  0.138509    -0.0592714  122 ILE   B O    
3418 C CB   . ILE   B 110 ? 0.502921 0.532178 0.400255 -0.040645   0.118044    -0.0337707  122 ILE   B CB   
3419 C CG1  . ILE   B 110 ? 0.518309 0.562563 0.445101 -0.0477094  0.116993    -0.0187552  122 ILE   B CG1  
3420 C CG2  . ILE   B 110 ? 0.475302 0.497704 0.388887 -0.0309571  0.10135     -0.0406351  122 ILE   B CG2  
3421 C CD1  . ILE   B 110 ? 0.510099 0.575411 0.488774 -0.0395784  0.118772    -0.0241462  122 ILE   B CD1  
3422 H H    . ILE   B 110 ? 0.543524 0.581931 0.397117 -0.0517991  0.163623    -0.0356115  122 ILE   B H    
3423 H HA   . ILE   B 110 ? 0.477203 0.524753 0.405888 -0.024308   0.143417    -0.0528302  122 ILE   B HA   
3424 H HB   . ILE   B 110 ? 0.518186 0.535727 0.383732 -0.0474197  0.113799    -0.030384   122 ILE   B HB   
3425 H HG12 . ILE   B 110 ? 0.537834 0.584321 0.451681 -0.0551682  0.129309    -0.0130496  122 ILE   B HG12 
3426 H HG13 . ILE   B 110 ? 0.507236 0.544292 0.430908 -0.0508946  0.10224     -0.0110865  122 ILE   B HG13 
3427 H HG21 . ILE   B 110 ? 0.458457 0.481832 0.380456 -0.0340227  0.0886316   -0.0331183  122 ILE   B HG21 
3428 H HG22 . ILE   B 110 ? 0.464107 0.495326 0.402313 -0.0223145  0.105492    -0.0460352  122 ILE   B HG22 
3429 H HG23 . ILE   B 110 ? 0.488815 0.496702 0.379243 -0.0305863  0.0993386   -0.0471721  122 ILE   B HG23 
3430 H HD11 . ILE   B 110 ? 0.48418  0.546009 0.471912 -0.0324114  0.106269    -0.0285108  122 ILE   B HD11 
3431 H HD12 . ILE   B 110 ? 0.497604 0.569959 0.493225 -0.0461978  0.117913    -0.0156403  122 ILE   B HD12 
3432 H HD13 . ILE   B 110 ? 0.510916 0.586418 0.497242 -0.0350279  0.13291     -0.0319706  122 ILE   B HD13 
3433 N N    . PRO   B 111 ? 0.524797 0.529227 0.394742 -0.0154863  0.143699    -0.0765332  123 PRO   B N    
3434 C CA   . PRO   B 111 ? 0.567799 0.542718 0.400942 -0.0137305  0.142876    -0.0908022  123 PRO   B CA   
3435 C C    . PRO   B 111 ? 0.530003 0.485989 0.351247 -0.0207347  0.119123    -0.0865375  123 PRO   B C    
3436 O O    . PRO   B 111 ? 0.497582 0.463679 0.340874 -0.0235447  0.10392     -0.0740332  123 PRO   B O    
3437 C CB   . PRO   B 111 ? 0.590282 0.563644 0.446966 0.00604226  0.155092    -0.105938   123 PRO   B CB   
3438 C CG   . PRO   B 111 ? 0.566834 0.565103 0.475944 0.0144974   0.146974    -0.0962749  123 PRO   B CG   
3439 C CD   . PRO   B 111 ? 0.522495 0.544362 0.441698 2.529e-05   0.145508    -0.0802374  123 PRO   B CD   
3440 H HA   . PRO   B 111 ? 0.591409 0.562124 0.394576 -0.0204619  0.151706    -0.0939161  123 PRO   B HA   
3441 H HB2  . PRO   B 111 ? 0.602902 0.552842 0.446764 0.00999731  0.149304    -0.113606   123 PRO   B HB2  
3442 H HB3  . PRO   B 111 ? 0.612434 0.593057 0.464486 0.00892399  0.172767    -0.113509   123 PRO   B HB3  
3443 H HG2  . PRO   B 111 ? 0.543264 0.529921 0.455981 0.0169285   0.132314    -0.0937094  123 PRO   B HG2  
3444 H HG3  . PRO   B 111 ? 0.559561 0.569468 0.491538 0.0265762   0.157114    -0.103265   123 PRO   B HG3  
3445 H HD2  . PRO   B 111 ? 0.495453 0.521675 0.432786 -0.00057209 0.131602    -0.0725813  123 PRO   B HD2  
3446 H HD3  . PRO   B 111 ? 0.524193 0.565946 0.460921 0.00116119  0.159354    -0.0807442  123 PRO   B HD3  
3447 N N    . SER   B 112 ? 0.550651 0.47935  0.336983 -0.0244638  0.117273    -0.0989617  124 SER   B N    
3448 C CA   . SER   B 112 ? 0.532592 0.443723 0.309098 -0.0329831  0.0980849   -0.098181   124 SER   B CA   
3449 C C    . SER   B 112 ? 0.515357 0.423781 0.325561 -0.0230244  0.0902061   -0.0941639  124 SER   B C    
3450 O O    . SER   B 112 ? 0.478926 0.381453 0.305374 -0.00737905 0.0987001   -0.10022    124 SER   B O    
3451 C CB   . SER   B 112 ? 0.581216 0.461015 0.317511 -0.038773   0.100393    -0.115923   124 SER   B CB   
3452 O OG   . SER   B 112 ? 0.58486  0.448995 0.317908 -0.0492053  0.0829479   -0.11559    124 SER   B OG   
3453 H H    . SER   B 112 ? 0.579048 0.500165 0.347411 -0.0223559  0.129374    -0.109374   124 SER   B H    
3454 H HA   . SER   B 112 ? 0.52682  0.448651 0.300113 -0.0424211  0.088247    -0.0885472  124 SER   B HA   
3455 H HB2  . SER   B 112 ? 0.603304 0.485862 0.314311 -0.0463444  0.102876    -0.117708   124 SER   B HB2  
3456 H HB3  . SER   B 112 ? 0.598532 0.466006 0.336541 -0.0281509  0.111448    -0.126247   124 SER   B HB3  
3458 N N    . ASN   B 113 ? 0.482906 0.397662 0.302964 -0.0313792  0.0737632   -0.0835874  125 ASN   B N    
3459 C CA   . ASN   B 113 ? 0.562061 0.470371 0.40226  -0.0254783  0.0661563   -0.0798467  125 ASN   B CA   
3460 C C    . ASN   B 113 ? 0.524403 0.450281 0.398502 -0.0091321  0.0696314   -0.0748489  125 ASN   B C    
3461 O O    . ASN   B 113 ? 0.514428 0.427289 0.397661 0.00305823  0.0688553   -0.0766344  125 ASN   B O    
3462 C CB   . ASN   B 113 ? 0.562532 0.433219 0.383187 -0.0249049  0.0676949   -0.0904508  125 ASN   B CB   
3463 C CG   . ASN   B 113 ? 0.584033 0.440252 0.378399 -0.0448585  0.0599173   -0.0952658  125 ASN   B CG   
3464 O OD1  . ASN   B 113 ? 0.674173 0.497551 0.445492 -0.0486893  0.0631676   -0.107573   125 ASN   B OD1  
3465 N ND2  . ASN   B 113 ? 0.557786 0.437479 0.358168 -0.0573101  0.0485793   -0.0867811  125 ASN   B ND2  
3466 H H    . ASN   B 113 ? 0.499696 0.423362 0.312825 -0.0405943  0.0674281   -0.0785059  125 ASN   B H    
3467 H HA   . ASN   B 113 ? 0.516079 0.432723 0.360513 -0.0334478  0.0565011   -0.0732855  125 ASN   B HA   
3468 H HB2  . ASN   B 113 ? 0.589545 0.449876 0.403631 -0.0167375  0.0774259   -0.0989977  125 ASN   B HB2  
3469 H HB3  . ASN   B 113 ? 0.5618   0.426818 0.394092 -0.0194896  0.063972    -0.0860627  125 ASN   B HB3  
3470 H HD21 . ASN   B 113 ? 0.571377 0.447419 0.358755 -0.0688419  0.0431585   -0.0902542  125 ASN   B HD21 
3471 H HD22 . ASN   B 113 ? 0.532985 0.431788 0.3514   -0.0540038  0.0456452   -0.0783064  125 ASN   B HD22 
3472 N N    . ALA   B 114 ? 0.450465 0.404297 0.342769 -0.00974445 0.0714619   -0.0679132  126 ALA   B N    
3473 C CA   . ALA   B 114 ? 0.481367 0.455189 0.408393 0.00297545  0.0742361   -0.0656114  126 ALA   B CA   
3474 C C    . ALA   B 114 ? 0.431533 0.416337 0.378918 0.00269072  0.0593593   -0.0568856  126 ALA   B C    
3475 O O    . ALA   B 114 ? 0.406412 0.397564 0.35104  -0.00820134 0.0517536   -0.0502988  126 ALA   B O    
3476 C CB   . ALA   B 114 ? 0.432087 0.428463 0.369651 0.00034218  0.0865985   -0.063898   126 ALA   B CB   
3477 H H    . ALA   B 114 ? 0.472706 0.432852 0.35622  -0.0186433  0.0701193   -0.064343   126 ALA   B H    
3478 H HA   . ALA   B 114 ? 0.471059 0.435555 0.40105  0.013751    0.0779516   -0.0717033  126 ALA   B HA   
3479 H HB1  . ALA   B 114 ? 0.468324 0.458124 0.390789 0.00123099  0.0976474   -0.0706925  126 ALA   B HB1  
3480 H HB2  . ALA   B 114 ? 0.439066 0.440532 0.371313 -0.00953478 0.0823838   -0.0567269  126 ALA   B HB2  
3481 H HB3  . ALA   B 114 ? 0.432524 0.444734 0.397101 0.00729313  0.0879631   -0.0632391  126 ALA   B HB3  
3482 N N    . THR   B 115 ? 0.41687  0.404995 0.384524 0.0161539   0.0550366   -0.0577229  127 THR   B N    
3483 C CA   . THR   B 115 ? 0.353864 0.357557 0.34211  0.0173343   0.0427926   -0.0520497  127 THR   B CA   
3484 C C    . THR   B 115 ? 0.334105 0.367156 0.355939 0.0187015   0.0450453   -0.0515504  127 THR   B C    
3485 O O    . THR   B 115 ? 0.378545 0.42304  0.417789 0.0269734   0.0537989   -0.0564187  127 THR   B O    
3486 C CB   . THR   B 115 ? 0.387174 0.377759 0.373787 0.0301135   0.0348739   -0.052485   127 THR   B CB   
3487 O OG1  . THR   B 115 ? 0.404388 0.367696 0.360171 0.0221324   0.0340108   -0.0508225  127 THR   B OG1  
3488 C CG2  . THR   B 115 ? 0.37321  0.378699 0.374843 0.0326269   0.0216661   -0.0488366  127 THR   B CG2  
3489 H H    . THR   B 115 ? 0.423877 0.403811 0.391391 0.0254094   0.0591269   -0.0625004  127 THR   B H    
3490 H HA   . THR   B 115 ? 0.35828  0.360377 0.338158 0.00846907  0.0381525   -0.0485082  127 THR   B HA   
3491 H HB   . THR   B 115 ? 0.39646  0.384902 0.38951  0.0407938   0.0386203   -0.0562702  127 THR   B HB   
3493 H HG21 . THR   B 115 ? 0.384269 0.378871 0.378679 0.0404292   0.0163361   -0.0477392  127 THR   B HG21 
3494 H HG22 . THR   B 115 ? 0.36385  0.369909 0.358764 0.0234306   0.0192662   -0.046375   127 THR   B HG22 
3495 H HG23 . THR   B 115 ? 0.361772 0.386701 0.386355 0.0355277   0.0209147   -0.0505518  127 THR   B HG23 
3496 N N    . LEU   B 116 ? 0.316802 0.361724 0.35003  0.0104184   0.0378338   -0.0466507  128 LEU   B N    
3497 C CA   . LEU   B 116 ? 0.329171 0.396818 0.393417 0.00683297  0.0390999   -0.045352   128 LEU   B CA   
3498 C C    . LEU   B 116 ? 0.304443 0.383378 0.390752 0.0115998   0.024608    -0.047995   128 LEU   B C    
3499 O O    . LEU   B 116 ? 0.315711 0.38423  0.387121 0.0122531   0.0148725   -0.0475721  128 LEU   B O    
3500 C CB   . LEU   B 116 ? 0.378425 0.444353 0.43635  -0.00715339 0.0414283   -0.0374544  128 LEU   B CB   
3501 C CG   . LEU   B 116 ? 0.435809 0.48922  0.462861 -0.0143581  0.0517163   -0.0335812  128 LEU   B CG   
3502 C CD1  . LEU   B 116 ? 0.443671 0.498519 0.47089  -0.0261213  0.05252     -0.0228472  128 LEU   B CD1  
3503 C CD2  . LEU   B 116 ? 0.432965 0.488218 0.454896 -0.0098983  0.0676691   -0.0395812  128 LEU   B CD2  
3504 H H    . LEU   B 116 ? 0.318645 0.356235 0.340593 0.00633503  0.0319818   -0.0443798  128 LEU   B H    
3505 H HA   . LEU   B 116 ? 0.336504 0.413364 0.412329 0.0104015   0.0476133   -0.0482358  128 LEU   B HA   
3506 H HB2  . LEU   B 116 ? 0.366487 0.427814 0.421057 -0.00877432 0.0322706   -0.0358543  128 LEU   B HB2  
3507 H HB3  . LEU   B 116 ? 0.371358 0.44927  0.449769 -0.0104548  0.0439681   -0.0361266  128 LEU   B HB3  
3508 H HG   . LEU   B 116 ? 0.427395 0.469118 0.436015 -0.0146692  0.0463769   -0.034065   128 LEU   B HG   
3509 H HD11 . LEU   B 116 ? 0.433154 0.485473 0.464408 -0.0270631  0.0421613   -0.0202611  128 LEU   B HD11 
3510 H HD12 . LEU   B 116 ? 0.457527 0.504602 0.461785 -0.0306674  0.0571424   -0.0197126  128 LEU   B HD12 
3511 H HD13 . LEU   B 116 ? 0.44208  0.507407 0.487958 -0.0281115  0.0586096   -0.0217528  128 LEU   B HD13 
3512 H HD21 . LEU   B 116 ? 0.440321 0.488959 0.458481 -0.00167436 0.0660362   -0.0454489  128 LEU   B HD21 
3513 H HD22 . LEU   B 116 ? 0.435891 0.506576 0.48036  -0.00916927 0.073646    -0.0401073  128 LEU   B HD22 
3514 H HD23 . LEU   B 116 ? 0.454372 0.501906 0.454218 -0.0158702  0.07387     -0.0375529  128 LEU   B HD23 
3515 N N    . PHE   B 117 ? 0.325258 0.426861 0.446351 0.0118218   0.024629    -0.0511008  129 PHE   B N    
3516 C CA   . PHE   B 117 ? 0.273304 0.389022 0.418751 0.0136013   0.0101515   -0.0560631  129 PHE   B CA   
3517 C C    . PHE   B 117 ? 0.293642 0.420536 0.46517  -0.00020159 0.0127942   -0.0546829  129 PHE   B C    
3518 O O    . PHE   B 117 ? 0.282506 0.420746 0.470089 -0.00709758 0.026887    -0.0518062  129 PHE   B O    
3519 C CB   . PHE   B 117 ? 0.268704 0.40239  0.435806 0.0275069   0.00431732  -0.0627506  129 PHE   B CB   
3520 C CG   . PHE   B 117 ? 0.305007 0.458082 0.49981  0.0274602   -0.0124592  -0.0697692  129 PHE   B CG   
3521 C CD1  . PHE   B 117 ? 0.346592 0.526044 0.583794 0.018441    -0.0104245  -0.0740438  129 PHE   B CD1  
3522 C CD2  . PHE   B 117 ? 0.312995 0.456923 0.48903  0.0336724   -0.0293661  -0.0726212  129 PHE   B CD2  
3523 C CE1  . PHE   B 117 ? 0.379947 0.57518  0.641631 0.015693    -0.0276419  -0.0827897  129 PHE   B CE1  
3524 C CE2  . PHE   B 117 ? 0.346466 0.506824 0.542564 0.0331935   -0.046115   -0.0814725  129 PHE   B CE2  
3525 C CZ   . PHE   B 117 ? 0.334816 0.519652 0.574001 0.0234889   -0.0461443  -0.0873252  129 PHE   B CZ   
3526 H H    . PHE   B 117 ? 0.312721 0.422391 0.443092 0.00981078  0.0347616   -0.0509094  129 PHE   B H    
3527 H HA   . PHE   B 117 ? 0.283402 0.388367 0.41301  0.0146823   0.00195461  -0.0560935  129 PHE   B HA   
3528 H HB2  . PHE   B 117 ? 0.287125 0.408012 0.4344   0.036519    0.00087611  -0.0621581  129 PHE   B HB2  
3529 H HB3  . PHE   B 117 ? 0.281835 0.427241 0.464578 0.0278408   0.0146072   -0.0635357  129 PHE   B HB3  
3530 H HD1  . PHE   B 117 ? 0.341669 0.52741  0.589646 0.012537    0.00302953  -0.071299   129 PHE   B HD1  
3531 H HD2  . PHE   B 117 ? 0.325795 0.452307 0.473876 0.0380382   -0.0293109  -0.0690108  129 PHE   B HD2  
3532 H HE1  . PHE   B 117 ? 0.356374 0.569475 0.64902  0.00762099  -0.026285   -0.0861501  129 PHE   B HE1  
3533 H HE2  . PHE   B 117 ? 0.344705 0.498043 0.523127 0.0373732   -0.0567142  -0.0837621  129 PHE   B HE2  
3534 H HZ   . PHE   B 117 ? 0.349599 0.545428 0.603162 0.0219967   -0.0586463  -0.0948688  129 PHE   B HZ   
3535 N N    . PHE   B 118 ? 0.294301 0.416861 0.47002  -0.00448951 0.00049811  -0.0573604  130 PHE   B N    
3536 C CA   . PHE   B 118 ? 0.345867 0.474277 0.54944  -0.0174065  0.00044252  -0.0574833  130 PHE   B CA   
3537 C C    . PHE   B 118 ? 0.34295  0.479561 0.566254 -0.0165146  -0.01684    -0.0696199  130 PHE   B C    
3538 O O    . PHE   B 118 ? 0.322491 0.452754 0.526767 -0.00733801 -0.0287486  -0.0758134  130 PHE   B O    
3539 C CB   . PHE   B 118 ? 0.312019 0.417665 0.49984  -0.0265635  0.00360577  -0.0482214  130 PHE   B CB   
3540 C CG   . PHE   B 118 ? 0.317943 0.413325 0.482887 -0.0308669  0.0178168   -0.0355815  130 PHE   B CG   
3541 C CD1  . PHE   B 118 ? 0.344867 0.429287 0.476502 -0.0238507  0.0182793   -0.0333819  130 PHE   B CD1  
3542 C CD2  . PHE   B 118 ? 0.331283 0.426432 0.50497  -0.0436754  0.0302331   -0.0259359  130 PHE   B CD2  
3543 C CE1  . PHE   B 118 ? 0.392348 0.467273 0.500029 -0.0286077  0.0285762   -0.0239523  130 PHE   B CE1  
3544 C CE2  . PHE   B 118 ? 0.371406 0.455736 0.516189 -0.0476297  0.0420027   -0.0144996  130 PHE   B CE2  
3545 C CZ   . PHE   B 118 ? 0.376207 0.4514   0.488151 -0.0395542  0.0401652   -0.0147399  130 PHE   B CZ   
3546 H H    . PHE   B 118 ? 0.302252 0.41683  0.462977 0.00029462  -0.00711138 -0.0595201  130 PHE   B H    
3547 H HA   . PHE   B 118 ? 0.32936  0.470906 0.550962 -0.0216441  0.00923118  -0.0560726  130 PHE   B HA   
3548 H HB2  . PHE   B 118 ? 0.317494 0.413847 0.491315 -0.0216581  -0.00407458 -0.0508565  130 PHE   B HB2  
3549 H HB3  . PHE   B 118 ? 0.325178 0.430964 0.53204  -0.034708   0.00222638  -0.0485333  130 PHE   B HB3  
3550 H HD1  . PHE   B 118 ? 0.339481 0.422877 0.464181 -0.0169395  0.0114689   -0.0385761  130 PHE   B HD1  
3551 H HD2  . PHE   B 118 ? 0.34098  0.442887 0.538671 -0.050611   0.0306194   -0.0271781  130 PHE   B HD2  
3552 H HE1  . PHE   B 118 ? 0.376257 0.444392 0.463165 -0.0253155  0.0280447   -0.0238662  130 PHE   B HE1  
3553 H HE2  . PHE   B 118 ? 0.381048 0.46451  0.527677 -0.0567808  0.0514886   -0.00693772 130 PHE   B HE2  
3554 H HZ   . PHE   B 118 ? 0.393737 0.46181  0.484674 -0.0427956  0.0466366   -0.00831952 130 PHE   B HZ   
3555 N N    . GLU   B 119 ? 0.332655 0.483694 0.593177 -0.027943   -0.0170697  -0.0733903  131 GLU   B N    
3556 C CA   . GLU   B 119 ? 0.290992 0.443775 0.571233 -0.0331695  -0.0329283  -0.0858494  131 GLU   B CA   
3557 C C    . GLU   B 119 ? 0.330512 0.459505 0.614215 -0.0476529  -0.0271814  -0.0793821  131 GLU   B C    
3558 O O    . GLU   B 119 ? 0.422642 0.551799 0.720228 -0.0603513  -0.0128932  -0.0683988  131 GLU   B O    
3559 C CB   . GLU   B 119 ? 0.302848 0.489556 0.62508  -0.0359284  -0.0401407  -0.0961618  131 GLU   B CB   
3560 C CG   . GLU   B 119 ? 0.322404 0.513079 0.668407 -0.0446206  -0.0582332  -0.111981   131 GLU   B CG   
3561 C CD   . GLU   B 119 ? 0.282497 0.51209  0.673137 -0.0476329  -0.0695364  -0.123987   131 GLU   B CD   
3562 O OE1  . GLU   B 119 ? 0.288906 0.535424 0.67458  -0.0328138  -0.0859962  -0.132229   131 GLU   B OE1  
3563 O OE2  . GLU   B 119 ? 0.286183 0.530154 0.718989 -0.0663024  -0.0618217  -0.124244   131 GLU   B OE2  
3564 H H    . GLU   B 119 ? 0.326095 0.48611  0.600162 -0.0336667  -0.00642446 -0.0688021  131 GLU   B H    
3565 H HA   . GLU   B 119 ? 0.307674 0.453215 0.568609 -0.0247303  -0.042455   -0.091222   131 GLU   B HA   
3566 H HB2  . GLU   B 119 ? 0.297834 0.496073 0.614058 -0.0237521  -0.0450598  -0.0985248  131 GLU   B HB2  
3567 H HB3  . GLU   B 119 ? 0.302167 0.499088 0.644089 -0.044184   -0.0280582  -0.0907281  131 GLU   B HB3  
3568 H HG2  . GLU   B 119 ? 0.317684 0.494104 0.671533 -0.0569372  -0.0531178  -0.109448   131 GLU   B HG2  
3569 H HG3  . GLU   B 119 ? 0.313453 0.492972 0.636493 -0.036636   -0.0686677  -0.117919   131 GLU   B HG3  
3570 N N    . ILE   B 120 ? 0.344531 0.45172  0.614462 -0.0451331  -0.0374215  -0.0857107  132 ILE   B N    
3571 C CA   . ILE   B 120 ? 0.363469 0.4432   0.637166 -0.0552006  -0.0345778  -0.0796065  132 ILE   B CA   
3572 C C    . ILE   B 120 ? 0.361223 0.430991 0.654403 -0.060662   -0.0484749  -0.0965545  132 ILE   B C    
3573 O O    . ILE   B 120 ? 0.31981  0.391729 0.600834 -0.0502269  -0.0605518  -0.112132   132 ILE   B O    
3574 C CB   . ILE   B 120 ? 0.372938 0.431353 0.612954 -0.0449759  -0.0322129  -0.0710057  132 ILE   B CB   
3575 C CG1  . ILE   B 120 ? 0.379014 0.445    0.596326 -0.0407235  -0.020467   -0.0571721  132 ILE   B CG1  
3576 C CG2  . ILE   B 120 ? 0.391271 0.419367 0.636971 -0.0521968  -0.0318455  -0.063143   132 ILE   B CG2  
3577 C CD1  . ILE   B 120 ? 0.38637  0.438346 0.574106 -0.03169    -0.0206798  -0.0510822  132 ILE   B CD1  
3578 H H    . ILE   B 120 ? 0.340627 0.449256 0.598292 -0.0364465  -0.0458818  -0.0937742  132 ILE   B H    
3579 H HA   . ILE   B 120 ? 0.366994 0.447292 0.652064 -0.0651677  -0.0251177  -0.0699171  132 ILE   B HA   
3580 H HB   . ILE   B 120 ? 0.370019 0.429108 0.600124 -0.0362938  -0.0396243  -0.080951   132 ILE   B HB   
3581 H HG12 . ILE   B 120 ? 0.383422 0.448285 0.606781 -0.04921    -0.0118326  -0.0474722  132 ILE   B HG12 
3582 H HG13 . ILE   B 120 ? 0.366661 0.44872  0.582999 -0.0358265  -0.0210805  -0.0622146  132 ILE   B HG13 
3583 H HG21 . ILE   B 120 ? 0.392066 0.410254 0.620053 -0.0452262  -0.0311128  -0.0568874  132 ILE   B HG21 
3584 H HG22 . ILE   B 120 ? 0.400943 0.426764 0.656005 -0.0628093  -0.024498   -0.0530718  132 ILE   B HG22 
3585 H HG23 . ILE   B 120 ? 0.402394 0.422546 0.659894 -0.053087   -0.039885   -0.0744803  132 ILE   B HG23 
3586 H HD11 . ILE   B 120 ? 0.379767 0.432581 0.562925 -0.0246361  -0.027434   -0.060687   132 ILE   B HD11 
3587 H HD12 . ILE   B 120 ? 0.376776 0.434412 0.54988  -0.0296582  -0.014646   -0.0452575  132 ILE   B HD12 
3588 H HD13 . ILE   B 120 ? 0.394362 0.431253 0.582716 -0.035124   -0.020215   -0.0437418  132 ILE   B HD13 
3589 N N    . GLU   B 121 ? 0.407197 0.462179 0.726271 -0.0778211  -0.0455155  -0.092918   133 GLU   B N    
3590 C CA   . GLU   B 121 ? 0.403508 0.43673  0.738127 -0.084201   -0.0577337  -0.108535   133 GLU   B CA   
3591 C C    . GLU   B 121 ? 0.399098 0.389746 0.7224   -0.0835983  -0.0543207  -0.0974999  133 GLU   B C    
3592 O O    . GLU   B 121 ? 0.45236  0.427724 0.778503 -0.0943868  -0.0430676  -0.0767087  133 GLU   B O    
3593 C CB   . GLU   B 121 ? 0.406185 0.450316 0.783644 -0.106002   -0.0600114  -0.115632   133 GLU   B CB   
3594 C CG   . GLU   B 121 ? 0.451635 0.469398 0.846092 -0.115241   -0.0738374  -0.134832   133 GLU   B CG   
3595 C CD   . GLU   B 121 ? 0.460767 0.491731 0.901558 -0.140049   -0.0781116  -0.144723   133 GLU   B CD   
3596 O OE1  . GLU   B 121 ? 0.457515 0.529081 0.919889 -0.146423   -0.0719507  -0.139714   133 GLU   B OE1  
3597 O OE2  . GLU   B 121 ? 0.460808 0.462596 0.918821 -0.153572   -0.0858629  -0.156494   133 GLU   B OE2  
3598 H H    . GLU   B 121 ? 0.396522 0.453318 0.722468 -0.086248   -0.0350858  -0.0807072  133 GLU   B H    
3599 H HA   . GLU   B 121 ? 0.398087 0.436483 0.722916 -0.0744281  -0.0676786  -0.122998   133 GLU   B HA   
3600 H HB2  . GLU   B 121 ? 0.398964 0.473221 0.786209 -0.104418   -0.0638063  -0.122707   133 GLU   B HB2  
3601 H HB3  . GLU   B 121 ? 0.417929 0.457668 0.803999 -0.116861   -0.0480611  -0.100568   133 GLU   B HB3  
3602 H HG2  . GLU   B 121 ? 0.463759 0.449578 0.850718 -0.115885   -0.0700794  -0.126992   133 GLU   B HG2  
3603 H HG3  . GLU   B 121 ? 0.444265 0.46519  0.825676 -0.103928   -0.0847002  -0.150288   133 GLU   B HG3  
3604 N N    . LEU   B 122 ? 0.441257 0.413828 0.750582 -0.0698076  -0.0637667  -0.111081   134 LEU   B N    
3605 C CA   . LEU   B 122 ? 0.488513 0.420811 0.793292 -0.065011   -0.0641861  -0.104803   134 LEU   B CA   
3606 C C    . LEU   B 122 ? 0.517378 0.418321 0.84956  -0.0800212  -0.0705837  -0.114549   134 LEU   B C    
3607 O O    . LEU   B 122 ? 0.588491 0.486751 0.929138 -0.0791332  -0.0818512  -0.140806   134 LEU   B O    
3608 C CB   . LEU   B 122 ? 0.537814 0.466823 0.822034 -0.0429008  -0.0693914  -0.117616   134 LEU   B CB   
3609 C CG   . LEU   B 122 ? 0.527995 0.419676 0.812434 -0.0329373  -0.070998   -0.111934   134 LEU   B CG   
3610 C CD1  . LEU   B 122 ? 0.532376 0.410759 0.811013 -0.0374167  -0.063833   -0.0799522  134 LEU   B CD1  
3611 C CD2  . LEU   B 122 ? 0.565532 0.467862 0.834038 -0.0111113  -0.0725431  -0.125362   134 LEU   B CD2  
3612 H H    . LEU   B 122 ? 0.428972 0.415016 0.731264 -0.0622001  -0.0700741  -0.1249     134 LEU   B H    
3613 H HA   . LEU   B 122 ? 0.490581 0.416965 0.788797 -0.0670744  -0.0564609  -0.0851607  134 LEU   B HA   
3614 H HB2  . LEU   B 122 ? 0.493527 0.442227 0.761448 -0.0358522  -0.0650603  -0.111326   134 LEU   B HB2  
3615 H HB3  . LEU   B 122 ? 0.521223 0.455259 0.80784  -0.0411815  -0.0761846  -0.137317   134 LEU   B HB3  
3616 H HG   . LEU   B 122 ? 0.569591 0.438198 0.868899 -0.0382098  -0.0760695  -0.121374   134 LEU   B HG   
3617 H HD11 . LEU   B 122 ? 0.547533 0.413284 0.837506 -0.0519748  -0.061714   -0.0723836  134 LEU   B HD11 
3618 H HD12 . LEU   B 122 ? 0.547231 0.406616 0.823535 -0.027158   -0.0668553  -0.0757891  134 LEU   B HD12 
3619 H HD13 . LEU   B 122 ? 0.508065 0.409361 0.773287 -0.0360241  -0.0585525  -0.0717155  134 LEU   B HD13 
3620 H HD21 . LEU   B 122 ? 0.552479 0.462489 0.819984 -0.00936417 -0.0761641  -0.144894   134 LEU   B HD21 
3621 H HD22 . LEU   B 122 ? 0.527103 0.449958 0.781811 -0.00734432 -0.0677309  -0.116031   134 LEU   B HD22 
3622 H HD23 . LEU   B 122 ? 0.568877 0.450027 0.842059 -0.0028232  -0.0745046  -0.124034   134 LEU   B HD23 
3623 N N    . LEU   B 123 ? 0.574504 0.449549 0.91777  -0.0952813  -0.0632048  -0.0934277  135 LEU   B N    
3624 C CA   . LEU   B 123 ? 0.657168 0.497759 1.02794  -0.113943   -0.0676871  -0.0999174  135 LEU   B CA   
3625 C C    . LEU   B 123 ? 0.759172 0.548933 1.12443  -0.100653   -0.0756904  -0.104596   135 LEU   B C    
3626 O O    . LEU   B 123 ? 0.718481 0.482125 1.0999   -0.104181   -0.0857903  -0.127775   135 LEU   B O    
3627 C CB   . LEU   B 123 ? 0.695884 0.527472 1.07775  -0.137388   -0.0537171  -0.0723367  135 LEU   B CB   
3628 C CG   . LEU   B 123 ? 0.634463 0.517064 1.02351  -0.148233   -0.0415422  -0.0651252  135 LEU   B CG   
3629 C CD1  . LEU   B 123 ? 0.673388 0.545585 1.0677   -0.170627   -0.0233821  -0.036705   135 LEU   B CD1  
3630 C CD2  . LEU   B 123 ? 0.63192  0.548153 1.0522   -0.157371   -0.0508127  -0.0922495  135 LEU   B CD2  
3631 H H    . LEU   B 123 ? 0.568599 0.445319 0.900508 -0.0949421  -0.0551871  -0.0745396  135 LEU   B H    
3632 H HA   . LEU   B 123 ? 0.660759 0.516729 1.04638  -0.1201     -0.0742807  -0.119351   135 LEU   B HA   
3633 H HB2  . LEU   B 123 ? 0.694253 0.504911 1.05841  -0.131169   -0.0495204  -0.053528   135 LEU   B HB2  
3634 H HB3  . LEU   B 123 ? 0.714811 0.524185 1.11712  -0.152588   -0.0561525  -0.0769431  135 LEU   B HB3  
3635 H HG   . LEU   B 123 ? 0.615385 0.517071 0.983419 -0.133202   -0.0396931  -0.0618819  135 LEU   B HG   
3636 H HD11 . LEU   B 123 ? 0.681729 0.529748 1.05271  -0.163989   -0.0202215  -0.0193259  135 LEU   B HD11 
3637 H HD12 . LEU   B 123 ? 0.646836 0.553417 1.04468  -0.174431   -0.0142645  -0.0335506  135 LEU   B HD12 
3638 H HD13 . LEU   B 123 ? 0.696854 0.551937 1.11378  -0.188008   -0.02385    -0.0391857  135 LEU   B HD13 
3639 H HD21 . LEU   B 123 ? 0.613534 0.539037 1.02307  -0.142208   -0.0608655  -0.108031   135 LEU   B HD21 
3640 H HD22 . LEU   B 123 ? 0.657404 0.553908 1.09861  -0.171942   -0.0547788  -0.0988955  135 LEU   B HD22 
3641 H HD23 . LEU   B 123 ? 0.611057 0.559556 1.04133  -0.163967   -0.043153   -0.0876231  135 LEU   B HD23 
3642 N N    . ASP   B 124 ? 0.710026 0.483915 1.05406  -0.0854039  -0.0718746  -0.0824888  136 ASP   B N    
3643 C CA   . ASP   B 124 ? 0.72691  0.45163  1.07061  -0.0707819  -0.0796473  -0.0828197  136 ASP   B CA   
3644 C C    . ASP   B 124 ? 0.737427 0.466803 1.05763  -0.0484374  -0.0785793  -0.0634032  136 ASP   B C    
3645 O O    . ASP   B 124 ? 0.640281 0.399536 0.943284 -0.0510365  -0.0706329  -0.0450109  136 ASP   B O    
3646 C CB   . ASP   B 124 ? 0.814701 0.48516  1.17422  -0.09017    -0.0795427  -0.068235   136 ASP   B CB   
3647 C CG   . ASP   B 124 ? 0.876388 0.490699 1.24729  -0.0787541  -0.0910157  -0.083052   136 ASP   B CG   
3648 O OD1  . ASP   B 124 ? 0.846869 0.466823 1.21264  -0.0521634  -0.0977438  -0.103509   136 ASP   B OD1  
3649 O OD2  . ASP   B 124 ? 0.992905 0.558039 1.37929  -0.0974584  -0.0920015  -0.0760151  136 ASP   B OD2  
3650 H H    . ASP   B 124 ? 0.693554 0.487116 1.02427  -0.0835254  -0.0653275  -0.0678525  136 ASP   B H    
3651 H HA   . ASP   B 124 ? 0.744512 0.468662 1.0933   -0.0620095  -0.0863319  -0.106945   136 ASP   B HA   
3652 H HB2  . ASP   B 124 ? 0.811065 0.489914 1.18555  -0.11014    -0.0766818  -0.0734532  136 ASP   B HB2  
3653 H HB3  . ASP   B 124 ? 0.817104 0.478097 1.1648   -0.0922218  -0.0741749  -0.0421898  136 ASP   B HB3  
3654 N N    . PHE   B 125 ? 0.759316 0.462174 1.0812   -0.0258236  -0.087191   -0.0707605  137 PHE   B N    
3655 C CA   . PHE   B 125 ? 0.778992 0.481537 1.08651  -0.00516136 -0.0897409  -0.0511475  137 PHE   B CA   
3656 C C    . PHE   B 125 ? 0.818058 0.469187 1.13874  0.0128359   -0.10062    -0.0517771  137 PHE   B C    
3657 O O    . PHE   B 125 ? 0.825897 0.456664 1.16398  0.0186552   -0.104969   -0.0795807  137 PHE   B O    
3658 C CB   . PHE   B 125 ? 0.713323 0.467257 1.01051  0.0120748   -0.0876998  -0.0655388  137 PHE   B CB   
3659 C CG   . PHE   B 125 ? 0.712866 0.478905 1.01961  0.0256252   -0.0897558  -0.102093   137 PHE   B CG   
3660 C CD1  . PHE   B 125 ? 0.682042 0.472162 0.986713 0.0140685   -0.086698   -0.124024   137 PHE   B CD1  
3661 C CD2  . PHE   B 125 ? 0.762896 0.520467 1.07895  0.0511761   -0.0944666  -0.114687   137 PHE   B CD2  
3662 C CE1  . PHE   B 125 ? 0.706602 0.508885 1.01092  0.026125    -0.087957   -0.156359   137 PHE   B CE1  
3663 C CE2  . PHE   B 125 ? 0.754573 0.526097 1.07483  0.0632283   -0.0928298  -0.149363   137 PHE   B CE2  
3664 C CZ   . PHE   B 125 ? 0.752702 0.545653 1.06322  0.0500235   -0.0893405  -0.169525   137 PHE   B CZ   
3665 H H    . PHE   B 125 ? 0.783279 0.469028 1.11705  -0.0227487  -0.0921258  -0.0897255  137 PHE   B H    
3666 H HA   . PHE   B 125 ? 0.769329 0.471155 1.06519  -0.0146566  -0.0857799  -0.027315   137 PHE   B HA   
3667 H HB2  . PHE   B 125 ? 0.7188   0.47367  1.01028  0.0247474   -0.0905326  -0.0532383  137 PHE   B HB2  
3668 H HB3  . PHE   B 125 ? 0.689651 0.471035 0.976723 0.00143863  -0.0813761  -0.0611787  137 PHE   B HB3  
3669 H HD1  . PHE   B 125 ? 0.678868 0.479116 0.981044 -0.00156814 -0.0837185  -0.116527   137 PHE   B HD1  
3670 H HD2  . PHE   B 125 ? 0.767847 0.510803 1.08727  0.0610024   -0.0986822  -0.0999139  137 PHE   B HD2  
3671 H HE1  . PHE   B 125 ? 0.697843 0.515395 0.997657 0.0182645   -0.0877816  -0.169935   137 PHE   B HE1  
3672 H HE2  . PHE   B 125 ? 0.771525 0.539326 1.10035  0.0811768   -0.0941754  -0.158834   137 PHE   B HE2  
3673 H HZ   . PHE   B 125 ? 0.746006 0.546724 1.05468  0.0576574   -0.0883194  -0.192664   137 PHE   B HZ   
3674 N N    . LYS   B 126 ? 0.845846 0.475203 1.15655  0.0220902   -0.105887   -0.0214899  138 LYS   B N    
3675 C CA   . LYS   B 126 ? 0.871509 0.444169 1.1941   0.0391555   -0.11808    -0.0141888  138 LYS   B CA   
3676 C C    . LYS   B 126 ? 0.857779 0.44993  1.17537  0.0679679   -0.127063   -0.0025643  138 LYS   B C    
3677 O O    . LYS   B 126 ? 0.846225 0.472991 1.14253  0.0639783   -0.124573   0.0165499   138 LYS   B O    
3678 C CB   . LYS   B 126 ? 0.846801 0.362088 1.16236  0.017784    -0.118356   0.0166916   138 LYS   B CB   
3679 H H    . LYS   B 126 ? 0.818023 0.467645 1.11289  0.0183819   -0.102676   -0.00466723 138 LYS   B H    
3680 H HA   . LYS   B 126 ? 0.87276  0.433373 1.21213  0.0463474   -0.120317   -0.038851   138 LYS   B HA   
3683 N N    . GLY   B 127 ? 0.952447 0.526811 1.2923   0.0971694   -0.137294   -0.0175965  139 GLY   B N    
3684 C CA   . GLY   B 127 ? 0.951881 0.546676 1.29647  0.126129    -0.148098   -0.00800437 139 GLY   B CA   
3685 C C    . GLY   B 127 ? 1.07495  0.630072 1.4021   0.126339    -0.160837   0.0346821   139 GLY   B C    
3686 O O    . GLY   B 127 ? 1.18408  0.675555 1.51095  0.119153    -0.16494    0.0478883   139 GLY   B O    
3687 H H    . GLY   B 127 ? 0.957057 0.506896 1.31132  0.0993313   -0.137771   -0.0354595  139 GLY   B H    
3688 H HA2  . GLY   B 127 ? 0.922059 0.564361 1.25928  0.124998    -0.143006   -0.0114211  139 GLY   B HA2  
3689 H HA3  . GLY   B 127 ? 0.982464 0.569505 1.34879  0.146564    -0.15241    -0.0262404  139 GLY   B HA3  
3690 N N    . GLU   B 128 ? 1.12096  0.711232 1.43131  0.13296     -0.167352   0.0557674   140 GLU   B N    
3691 C CA   . GLU   B 128 ? 1.17683  0.735953 1.458    0.128559    -0.17867    0.0983577   140 GLU   B CA   
3692 C C    . GLU   B 128 ? 1.26337  0.759237 1.55963  0.153409    -0.198467   0.112715    140 GLU   B C    
3693 O O    . GLU   B 128 ? 1.37772  0.879119 1.67056  0.175452    -0.217281   0.132494    140 GLU   B O    
3694 C CB   . GLU   B 128 ? 1.04768  0.660925 1.30937  0.133268    -0.184528   0.111541    140 GLU   B CB   
3695 O OXT  . GLU   B 128 ? 1.29721  0.737982 1.60827  0.150053    -0.196076   0.104027    140 GLU   B OXT  
3696 H H    . GLU   B 128 ? 1.06533  0.699985 1.381    0.139733    -0.164829   0.0428682   140 GLU   B H    
3697 H HA   . GLU   B 128 ? 1.16589  0.707112 1.42834  0.104601    -0.169279   0.109624    140 GLU   B HA   
3700 C C4   . A1INV C .   ? 0.459722 0.457921 0.401504 -0.0213306  0.0799225   0.0294357   201 A1INV A C4   
3701 C C14  . A1INV C .   ? 0.55012  0.601782 0.511903 0.00380579  0.100046    0.00309367  201 A1INV A C14  
3702 C C5   . A1INV C .   ? 0.447697 0.455693 0.406046 -0.0218146  0.0932566   0.046797    201 A1INV A C5   
3703 C C6   . A1INV C .   ? 0.507314 0.529794 0.449298 -0.006509   0.109011    0.0549507   201 A1INV A C6   
3704 C C11  . A1INV C .   ? 0.626871 0.687304 0.644555 -0.0160755  0.129282    0.0722579   201 A1INV A C11  
3705 C C7   . A1INV C .   ? 0.504049 0.529744 0.410553 0.00916985  0.106551    0.0431706   201 A1INV A C7   
3706 C C8   . A1INV C .   ? 0.55034  0.599967 0.418525 0.0375026   0.122792    0.0344862   201 A1INV A C8   
3707 C C9   . A1INV C .   ? 0.611104 0.667679 0.587206 -0.00064801 0.139833    0.0764407   201 A1INV A C9   
3708 C C10  . A1INV C .   ? 0.723141 0.79293  0.710091 0.00431455  0.165045    0.103203    201 A1INV A C10  
3709 C C12  . A1INV C .   ? 0.610449 0.688137 0.633648 -0.00578329 0.134501    0.0614131   201 A1INV A C12  
3710 C C13  . A1INV C .   ? 0.579737 0.636668 0.573811 -0.00621242 0.10455     0.0210056   201 A1INV A C13  
3711 N N1   . A1INV C .   ? 0.620989 0.688841 0.611656 0.00192215  0.12261     0.0371365   201 A1INV A N1   
3712 N N2   . A1INV C .   ? 0.767722 0.826897 0.703754 0.01924     0.113317    0.00721391  201 A1INV A N2   
3713 C C3   . A1INV C .   ? 0.428539 0.434221 0.344485 -0.00741126 0.0792137   0.0194819   201 A1INV A C3   
3714 N N3   . A1INV C .   ? 0.670111 0.73844  0.621212 0.0187779   0.128885    0.0293574   201 A1INV A N3   
3715 C C1   . A1INV C .   ? 0.428595 0.452248 0.295414 0.0208611   0.0705212   -0.00018937 201 A1INV A C1   
3716 O O1   . A1INV C .   ? 0.432625 0.45811  0.302215 0.0219004   0.0856763   0.0150481   201 A1INV A O1   
3717 C C2   . A1INV C .   ? 0.49544  0.514182 0.393148 0.00747454  0.0900091   0.0249735   201 A1INV A C2   
3718 O O2   . A1INV C .   ? 0.548443 0.584777 0.429201 0.0264235   0.120205    0.0501751   201 A1INV A O2   
3719 O O3   . A1INV C .   ? 0.490569 0.524838 0.449082 -0.00542462 0.12739     0.0754483   201 A1INV A O3   
3720 C C15  . A1INV C .   ? 0.562205 0.602895 0.518099 -0.00018579 0.0845412   -0.0168072  201 A1INV A C15  
3721 C C16  . A1INV C .   ? 0.512154 0.547357 0.440074 0.00366165  0.0759507   -0.0296534  201 A1INV A C16  
3722 C C17  . A1INV C .   ? 0.464185 0.49357  0.38646  -0.00188875 0.0718154   -0.0215621  201 A1INV A C17  
3723 O O4   . A1INV C .   ? 0.369067 0.387664 0.311253 -0.0167088  0.0674255   -0.0132885  201 A1INV A O4   
3724 C C18  . A1INV C .   ? 0.351193 0.360688 0.299035 -0.0256002  0.057449    -0.0225944  201 A1INV A C18  
3725 O O5   . A1INV C .   ? 0.335841 0.346472 0.282531 -0.0245475  0.0533991   -0.0351573  201 A1INV A O5   
3726 C C19  . A1INV C .   ? 0.360774 0.355435 0.317366 -0.0377319  0.0521073   -0.0141889  201 A1INV A C19  
3727 C C20  . A1INV C .   ? 0.362264 0.353926 0.336745 -0.0457007  0.0462499   -0.0139484  201 A1INV A C20  
3728 C C21  . A1INV C .   ? 0.338021 0.343572 0.335432 -0.0438476  0.0520595   -0.00437929 201 A1INV A C21  
3729 C C22  . A1INV C .   ? 0.337639 0.343517 0.345805 -0.0487128  0.0555062   0.0105974   201 A1INV A C22  
3730 C C23  . A1INV C .   ? 0.370068 0.37388  0.35613  -0.0413102  0.063664    0.0132344   201 A1INV A C23  
3731 N N4   . A1INV C .   ? 0.351969 0.344668 0.313334 -0.0387741  0.0572692   0.0006799   201 A1INV A N4   
3732 C C24  . A1INV C .   ? 0.381971 0.366482 0.327981 -0.0348916  0.0585633   0.00387445  201 A1INV A C24  
3733 O O6   . A1INV C .   ? 0.391188 0.374715 0.322362 -0.0297026  0.0553328   -0.00593621 201 A1INV A O6   
3734 C C25  . A1INV C .   ? 0.413644 0.393769 0.364594 -0.0350894  0.0660542   0.0216669   201 A1INV A C25  
3735 C C26  . A1INV C .   ? 0.450879 0.40877  0.387591 -0.0347048  0.0619128   0.0234665   201 A1INV A C26  
3736 C C27  . A1INV C .   ? 0.488519 0.423845 0.427277 -0.0464195  0.0498811   0.0158243   201 A1INV A C27  
3737 C C28  . A1INV C .   ? 0.466076 0.375531 0.389287 -0.0435203  0.0473923   0.016015    201 A1INV A C28  
3738 C C29  . A1INV C .   ? 0.478877 0.375645 0.406912 -0.0434003  0.0527134   0.0330698   201 A1INV A C29  
3739 C C30  . A1INV C .   ? 0.530158 0.451315 0.454998 -0.0312489  0.0653084   0.0435942   201 A1INV A C30  
3740 C C31  . A1INV C .   ? 0.469325 0.418116 0.40898  -0.0339698  0.0698779   0.0425766   201 A1INV A C31  
3741 H H5   . A1INV C .   ? 0.459298 0.464245 0.44022  -0.0324455  0.091809    0.0537217   201 A1INV A H5   
3742 H H14  . A1INV C .   ? 0.601627 0.647958 0.615223 -0.023685   0.113679    0.0620005   201 A1INV A H14  
3743 H H13  . A1INV C .   ? 0.617858 0.682204 0.663571 -0.0250269  0.133851    0.0873504   201 A1INV A H13  
3744 H H7   . A1INV C .   ? 0.576359 0.630854 0.420911 0.0509564   0.132579    0.0395925   201 A1INV A H7   
3745 H H8   . A1INV C .   ? 0.541559 0.596764 0.432591 0.0319554   0.127744    0.0356826   201 A1INV A H8   
3746 H H6   . A1INV C .   ? 0.542111 0.589156 0.402561 0.0375741   0.10963     0.0178524   201 A1INV A H6   
3747 H H9   . A1INV C .   ? 0.607434 0.668531 0.560785 0.0111823   0.140003    0.0635638   201 A1INV A H9   
3748 H H12  . A1INV C .   ? 0.695278 0.758816 0.70601  -0.00857268 0.163918    0.116198    201 A1INV A H12  
3749 H H10  . A1INV C .   ? 0.695034 0.781655 0.697234 0.00846194  0.175209    0.10465     201 A1INV A H10  
3750 H H11  . A1INV C .   ? 0.716533 0.78384  0.671782 0.0166945   0.172507    0.106608    201 A1INV A H11  
3751 H H15  . A1INV C .   ? 0.632587 0.723274 0.65263  0.00511935  0.151668    0.0696269   201 A1INV A H15  
3752 H H16  . A1INV C .   ? 0.604217 0.686666 0.657826 -0.0146238  0.129022    0.0629683   201 A1INV A H16  
3753 H H17  . A1INV C .   ? 0.564677 0.617689 0.578603 -0.0169331  0.0959779   0.0223911   201 A1INV A H17  
3754 H H4   . A1INV C .   ? 0.439038 0.441534 0.349603 -0.00771696 0.0711387   0.00896427  201 A1INV A H4   
3755 H H2   . A1INV C .   ? 0.439112 0.470022 0.288483 0.0313584   0.0665978   -0.00577502 201 A1INV A H2   
3756 H H3   . A1INV C .   ? 0.411167 0.435675 0.29034  0.0134264   0.065938    -0.010549   201 A1INV A H3   
3757 H H1   . A1INV C .   ? 0.425823 0.439948 0.296395 0.0176049   0.06878     0.00576869  201 A1INV A H1   
3758 H H19  . A1INV C .   ? 0.527761 0.561819 0.498012 -0.0112297  0.0770928   -0.0145315  201 A1INV A H19  
3759 H H18  . A1INV C .   ? 0.547167 0.590599 0.505915 0.00552054  0.0867964   -0.0237109  201 A1INV A H18  
3760 H H20  . A1INV C .   ? 0.529243 0.569849 0.439692 0.0151925   0.0809011   -0.032982   201 A1INV A H20  
3761 H H21  . A1INV C .   ? 0.50572  0.535648 0.436438 -0.00027454 0.067737    -0.040952   201 A1INV A H21  
3762 H H23  . A1INV C .   ? 0.450857 0.478909 0.363508 -0.00073305 0.0643701   -0.0312619  201 A1INV A H23  
3763 H H22  . A1INV C .   ? 0.464499 0.49779  0.377165 0.00484817  0.0792873   -0.0123524  201 A1INV A H22  
3764 H H24  . A1INV C .   ? 0.35586  0.342554 0.303188 -0.0394474  0.0480628   -0.0190382  201 A1INV A H24  
3765 H H26  . A1INV C .   ? 0.35114  0.342623 0.322816 -0.0444706  0.0442766   -0.0223262  201 A1INV A H26  
3766 H H25  . A1INV C .   ? 0.356528 0.336014 0.330576 -0.0531436  0.0396645   -0.01181    201 A1INV A H25  
3767 H H27  . A1INV C .   ? 0.338796 0.34267  0.348735 -0.0480958  0.0461159   -0.00434953 201 A1INV A H27  
3768 H H28  . A1INV C .   ? 0.345006 0.360857 0.339089 -0.034722   0.05972     -0.00740938 201 A1INV A H28  
3769 H H29  . A1INV C .   ? 0.345631 0.33919  0.357456 -0.0579685  0.0459385   0.0119128   201 A1INV A H29  
3770 H H30  . A1INV C .   ? 0.345074 0.363953 0.37238  -0.0473345  0.061662    0.018469    201 A1INV A H30  
3771 H H31  . A1INV C .   ? 0.368533 0.366419 0.361705 -0.0465551  0.0641997   0.023246    201 A1INV A H31  
3772 H H32  . A1INV C .   ? 0.365305 0.381652 0.347702 -0.0320167  0.0732497   0.0147391   201 A1INV A H32  
3773 H H33  . A1INV C .   ? 0.419899 0.398399 0.389676 -0.0439808  0.064815    0.0278899   201 A1INV A H33  
3774 H H34  . A1INV C .   ? 0.451226 0.413641 0.373367 -0.0257986  0.0617358   0.0168008   201 A1INV A H34  
3775 H H36  . A1INV C .   ? 0.470791 0.402947 0.425071 -0.0557575  0.046682    0.0207902   201 A1INV A H36  
3776 H H35  . A1INV C .   ? 0.458175 0.398026 0.392557 -0.0459676  0.0466265   0.00561851  201 A1INV A H35  
3777 H H37  . A1INV C .   ? 0.470434 0.385561 0.381698 -0.0340911  0.0494088   0.0102925   201 A1INV A H37  
3778 H H38  . A1INV C .   ? 0.478734 0.371742 0.399589 -0.0502763  0.0399797   0.0103272   201 A1INV A H38  
3779 H H39  . A1INV C .   ? 0.50757  0.385465 0.423957 -0.0394459  0.0508677   0.0318669   201 A1INV A H39  
3780 H H40  . A1INV C .   ? 0.496856 0.387344 0.441199 -0.0545748  0.0497856   0.0389153   201 A1INV A H40  
3781 H H41  . A1INV C .   ? 0.506879 0.433505 0.416396 -0.0204476  0.0652846   0.0375873   201 A1INV A H41  
3782 H H42  . A1INV C .   ? 0.525064 0.437919 0.452859 -0.031304   0.0706322   0.0573409   201 A1INV A H42  
3783 H H44  . A1INV C .   ? 0.480304 0.427095 0.439458 -0.0439548  0.0699828   0.0499134   201 A1INV A H44  
3784 H H43  . A1INV C .   ? 0.483847 0.445746 0.416169 -0.0245838  0.0784563   0.0481743   201 A1INV A H43  
3785 C C4   . A1INV D .   ? 0.526189 0.582662 0.553767 -0.0889898  0.112287    0.0369284   201 A1INV B C4   
3786 C C14  . A1INV D .   ? 1.06659  1.01919  1.03482  -0.109365   0.0685142   0.109471    201 A1INV B C14  
3787 C C5   . A1INV D .   ? 0.612244 0.675526 0.655514 -0.104496   0.130403    0.0465639   201 A1INV B C5   
3788 C C6   . A1INV D .   ? 0.685038 0.736758 0.689448 -0.117207   0.147149    0.0624383   201 A1INV B C6   
3789 C C11  . A1INV D .   ? 0.974516 0.997722 1.03309  -0.144973   0.138305    0.0903389   201 A1INV B C11  
3790 C C7   . A1INV D .   ? 0.688831 0.724203 0.637714 -0.113414   0.144377    0.0665442   201 A1INV B C7   
3791 C C8   . A1INV D .   ? 0.864714 0.900311 0.738469 -0.12495    0.181718    0.0714449   201 A1INV B C8   
3792 C C9   . A1INV D .   ? 0.887548 0.940171 0.940221 -0.149793   0.167656    0.0840691   201 A1INV B C9   
3793 C C10  . A1INV D .   ? 0.832493 0.926599 0.943015 -0.146862   0.176569    0.0629743   201 A1INV B C10  
3794 C C12  . A1INV D .   ? 1.06184  1.04362  1.07832  -0.15278    0.131344    0.117068    201 A1INV B C12  
3795 C C13  . A1INV D .   ? 1.04693  1.01595  1.05319  -0.118806   0.0848668   0.101739    201 A1INV B C13  
3796 N N1   . A1INV D .   ? 1.07626  1.04014  1.06305  -0.135766   0.10631     0.117692    201 A1INV B N1   
3797 N N2   . A1INV D .   ? 1.15766  1.09325  1.08165  -0.120219   0.078035    0.130545    201 A1INV B N2   
3798 C C3   . A1INV D .   ? 0.54852  0.59024  0.52622  -0.086715   0.110929    0.0404726   201 A1INV B C3   
3799 N N3   . A1INV D .   ? 1.1155   1.057    1.0481   -0.136658   0.102782    0.135916    201 A1INV B N3   
3800 C C1   . A1INV D .   ? 0.646288 0.663411 0.52025  -0.0857374  0.109981    0.0414818   201 A1INV B C1   
3801 O O1   . A1INV D .   ? 0.653802 0.670263 0.537958 -0.097651   0.12154     0.0577444   201 A1INV B O1   
3802 C C2   . A1INV D .   ? 0.681121 0.712548 0.61869  -0.0982671  0.125406    0.05433     201 A1INV B C2   
3803 O O2   . A1INV D .   ? 0.795408 0.819035 0.700311 -0.126543   0.160743    0.0826689   201 A1INV B O2   
3804 O O3   . A1INV D .   ? 0.847202 0.90167  0.858287 -0.135787   0.168049    0.0756932   201 A1INV B O3   
3805 C C15  . A1INV D .   ? 0.967447 0.920536 0.939714 -0.0918734  0.0442482   0.0990337   201 A1INV B C15  
3806 C C16  . A1INV D .   ? 0.815204 0.777239 0.751206 -0.0847558  0.0398966   0.0931012   201 A1INV B C16  
3807 C C17  . A1INV D .   ? 0.695628 0.682411 0.645789 -0.0780857  0.0462394   0.0696781   201 A1INV B C17  
3808 O O4   . A1INV D .   ? 0.586227 0.587152 0.582242 -0.0755703  0.049776    0.0564781   201 A1INV B O4   
3809 C C18  . A1INV D .   ? 0.476611 0.483384 0.493184 -0.064485   0.0353264   0.043855    201 A1INV B C18  
3810 O O5   . A1INV D .   ? 0.50626  0.507189 0.513215 -0.057653   0.0203209   0.0446052   201 A1INV B O5   
3811 C C19  . A1INV D .   ? 0.461918 0.487026 0.514984 -0.0615699  0.0402971   0.0280669   201 A1INV B C19  
3812 C C20  . A1INV D .   ? 0.43187  0.451166 0.516699 -0.0598977  0.0277929   0.0253097   201 A1INV B C20  
3813 C C21  . A1INV D .   ? 0.444796 0.449394 0.541553 -0.0724671  0.0322894   0.0384267   201 A1INV B C21  
3814 C C22  . A1INV D .   ? 0.447403 0.470132 0.561114 -0.0833475  0.0509215   0.0362506   201 A1INV B C22  
3815 C C23  . A1INV D .   ? 0.494815 0.525259 0.575812 -0.0848524  0.0668452   0.0407376   201 A1INV B C23  
3816 N N4   . A1INV D .   ? 0.448675 0.485833 0.510081 -0.0707505  0.0603433   0.0290884   201 A1INV B N4   
3817 C C24  . A1INV D .   ? 0.457775 0.507695 0.505195 -0.0679493  0.073779    0.0217754   201 A1INV B C24  
3818 O O6   . A1INV D .   ? 0.455212 0.501832 0.478938 -0.0596525  0.0686988   0.0153197   201 A1INV B O6   
3819 C C25  . A1INV D .   ? 0.456426 0.524995 0.519764 -0.0761063  0.097014    0.0208929   201 A1INV B C25  
3820 C C26  . A1INV D .   ? 0.449373 0.537867 0.519445 -0.064106   0.105801    0.00367356  201 A1INV B C26  
3821 C C27  . A1INV D .   ? 0.430027 0.532633 0.536846 -0.0523342  0.0920815   -0.00976559 201 A1INV B C27  
3822 C C28  . A1INV D .   ? 0.418336 0.533713 0.528604 -0.0374473  0.0973239   -0.0240736  201 A1INV B C28  
3823 C C29  . A1INV D .   ? 0.448782 0.587466 0.576041 -0.0390963  0.120891    -0.028343   201 A1INV B C29  
3824 C C30  . A1INV D .   ? 0.46821  0.596276 0.561374 -0.0535849  0.139108    -0.0168524  201 A1INV B C30  
3825 C C31  . A1INV D .   ? 0.462214 0.572579 0.544427 -0.0697338  0.132103    0.00119887  201 A1INV B C31  
3826 H H5   . A1INV D .   ? 0.5914   0.666357 0.670742 -0.107502   0.130684    0.0428357   201 A1INV B H5   
3827 H H14  . A1INV D .   ? 0.931029 0.956502 0.986516 -0.1305     0.1243      0.079685    201 A1INV B H14  
3828 H H13  . A1INV D .   ? 0.946843 0.976307 1.04348  -0.150021   0.136225    0.0859931   201 A1INV B H13  
3829 H H7   . A1INV D .   ? 0.889469 0.915439 0.728768 -0.135124   0.19275     0.0839039   201 A1INV B H7   
3830 H H8   . A1INV D .   ? 0.838274 0.869019 0.694678 -0.115164   0.170427    0.0623213   201 A1INV B H8   
3831 H H6   . A1INV D .   ? 0.83439  0.892198 0.738544 -0.123564   0.196349    0.0601154   201 A1INV B H6   
3832 H H9   . A1INV D .   ? 0.929327 0.974544 0.967888 -0.164635   0.182991    0.0986151   201 A1INV B H9   
3833 H H12  . A1INV D .   ? 0.803151 0.901706 0.925609 -0.133      0.160738    0.0506197   201 A1INV B H12  
3834 H H10  . A1INV D .   ? 0.842237 0.940386 0.98343  -0.158851   0.179442    0.0664914   201 A1INV B H10  
3835 H H11  . A1INV D .   ? 0.845704 0.95829  0.951237 -0.146796   0.195021    0.0579524   201 A1INV B H11  
3836 H H15  . A1INV D .   ? 1.08859  1.06857  1.07716  -0.161967   0.147684    0.127576    201 A1INV B H15  
3837 H H16  . A1INV D .   ? 1.0668   1.03498  1.10399  -0.160867   0.1276      0.124199    201 A1INV B H16  
3838 H H17  . A1INV D .   ? 1.00887  0.99148  1.04759  -0.11474    0.0817983   0.088023    201 A1INV B H17  
3839 H H4   . A1INV D .   ? 0.553495 0.592206 0.52315  -0.0781304  0.0999604   0.0332235   201 A1INV B H4   
3840 H H2   . A1INV D .   ? 0.668403 0.676526 0.504446 -0.0880193  0.109853    0.0430803   201 A1INV B H2   
3841 H H3   . A1INV D .   ? 0.620075 0.633551 0.507947 -0.0808725  0.0926856   0.0417981   201 A1INV B H3   
3842 H H1   . A1INV D .   ? 0.627839 0.657611 0.518593 -0.0804514  0.119497    0.0282534   201 A1INV B H1   
3843 H H19  . A1INV D .   ? 0.909873 0.87538  0.911953 -0.0871705  0.0424507   0.0849081   201 A1INV B H19  
3844 H H18  . A1INV D .   ? 0.959155 0.893716 0.930485 -0.0897325  0.0318366   0.109563    201 A1INV B H18  
3845 H H20  . A1INV D .   ? 0.858106 0.81485  0.763712 -0.0918326  0.0487626   0.102345    201 A1INV B H20  
3846 H H21  . A1INV D .   ? 0.826068 0.781171 0.757642 -0.0776777  0.0233232   0.0959261   201 A1INV B H21  
3847 H H23  . A1INV D .   ? 0.680461 0.668601 0.623746 -0.070902   0.0343264   0.0643792   201 A1INV B H23  
3848 H H22  . A1INV D .   ? 0.706342 0.697925 0.637263 -0.0825163  0.059624    0.0684851   201 A1INV B H22  
3849 H H24  . A1INV D .   ? 0.434524 0.467487 0.484074 -0.0542805  0.0379643   0.0181423   201 A1INV B H24  
3850 H H26  . A1INV D .   ? 0.430087 0.44208  0.508834 -0.053619   0.0165839   0.0254182   201 A1INV B H26  
3851 H H25  . A1INV D .   ? 0.414631 0.446623 0.518566 -0.0564861  0.0273413   0.0136155   201 A1INV B H25  
3852 H H27  . A1INV D .   ? 0.444945 0.44259  0.561028 -0.0708575  0.023317    0.0347842   201 A1INV B H27  
3853 H H28  . A1INV D .   ? 0.47082  0.460723 0.545436 -0.0754836  0.032158    0.0519479   201 A1INV B H28  
3854 H H29  . A1INV D .   ? 0.433553 0.472423 0.56909  -0.0789253  0.0489084   0.0229739   201 A1INV B H29  
3855 H H30  . A1INV D .   ? 0.473365 0.48703  0.597625 -0.0939442  0.0549662   0.044587    201 A1INV B H30  
3856 H H31  . A1INV D .   ? 0.48204  0.52792  0.577537 -0.0902376  0.0802787   0.0374924   201 A1INV B H31  
3857 H H32  . A1INV D .   ? 0.509366 0.524076 0.56668  -0.0906334  0.0688504   0.054642    201 A1INV B H32  
3858 H H33  . A1INV D .   ? 0.459931 0.535499 0.55373  -0.0807954  0.0962344   0.0208867   201 A1INV B H33  
3859 H H34  . A1INV D .   ? 0.455064 0.532911 0.496004 -0.0592509  0.103526    0.00188448  201 A1INV B H34  
3860 H H36  . A1INV D .   ? 0.421545 0.536218 0.558079 -0.057557   0.093078    -0.00983331 201 A1INV B H36  
3861 H H35  . A1INV D .   ? 0.415803 0.506349 0.51506  -0.0490448  0.0776372   -0.00913028 201 A1INV B H35  
3862 H H37  . A1INV D .   ? 0.42881  0.529407 0.509766 -0.0334197  0.0956215   -0.0248459  201 A1INV B H37  
3863 H H38  . A1INV D .   ? 0.405846 0.528346 0.536385 -0.0300577  0.0864784   -0.0303745  201 A1INV B H38  
3864 H H39  . A1INV D .   ? 0.442635 0.584777 0.567843 -0.0275945  0.124039    -0.0374804  201 A1INV B H39  
3865 H H40  . A1INV D .   ? 0.434056 0.591735 0.596491 -0.0422599  0.121526    -0.0297883  201 A1INV B H40  
3866 H H41  . A1INV D .   ? 0.478412 0.592257 0.538791 -0.0492734  0.139805    -0.0188797  201 A1INV B H41  
3867 H H42  . A1INV D .   ? 0.478235 0.624594 0.586347 -0.0565502  0.156454    -0.0194017  201 A1INV B H42  
3868 H H44  . A1INV D .   ? 0.463758 0.586202 0.576433 -0.0768741  0.135018    0.00335748  201 A1INV B H44  
3869 H H43  . A1INV D .   ? 0.493203 0.594226 0.546122 -0.0770127  0.142411    0.00915305  201 A1INV B H43  
# 
