data_8YMF
# 
_entry.id   8YMF 
# 
_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   8YMF         pdb_00008ymf 10.2210/pdb8ymf/pdb 
WWPDB D_1300045544 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-12 
_pdbx_audit_revision_history.part_number         ? 
# 
_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             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8YMF 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-09 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_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              ehdoh.junichi@mb.mt-pharma.co.jp 
_pdbx_contact_author.name_first         Junichi 
_pdbx_contact_author.name_last          Endo 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0009-0001-0259-5306 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Sasaki, C.'    1 0009-0001-6670-0873 
'Miyaguchi, I.' 2 0000-0003-0021-7296 
'Hagihara, S.'  3 0009-0003-9379-5120 
'Ishizawa, K.'  4 0009-0005-9777-8306 
'Endo, J.'      5 0009-0001-0259-5306 
# 
_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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Discovery of a potent, orally available pyrazolopyridone derivative as a novel selective BET BD1 Inhibitor (Part 2).' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Hagihara, S.'  1  0009-0003-9379-5120 
primary 'Ishizawa, K.'  2  0009-0005-9777-8306 
primary 'Soga, K.'      3  ?                   
primary 'Honjo, T.'     4  ?                   
primary 'Takai, S.'     5  ?                   
primary 'Kawano, Y.'    6  ?                   
primary 'Kikuchi, M.'   7  ?                   
primary 'Nishidate, A.' 8  ?                   
primary 'Matsumoto, F.' 9  ?                   
primary 'Murase, M.'    10 ?                   
primary 'Hashimoto, N.' 11 ?                   
primary 'Sasaki, C.'    12 0009-0001-6670-0873 
primary 'Miyaguchi, I.' 13 0000-0003-0021-7296 
primary 'Okada, O.'     14 ?                   
primary 'Akashi, T.'    15 ?                   
primary 'Nakayama, S.'  16 ?                   
primary 'Ogasawara, Y.' 17 ?                   
primary 'Endo, J.'      18 0009-0001-0259-5306 
# 
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 'Bromodomain-containing protein 4' 15156.431 1   ? ? ? ? 
2 non-polymer syn 
'7-[2-(cyclopropylmethoxy)phenyl]-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[4,3-c]pyridin-4-one' 470.584   1   ? 
? ? ? 
3 water       nat water 18.015    152 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Protein HUNK1' 
# 
_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       
;GSMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYW
NAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYW
NAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '7-[2-(cyclopropylmethoxy)phenyl]-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[4,3-c]pyridin-4-one' A1LZB 
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   SER n 
1 3   MET n 
1 4   ASN n 
1 5   PRO n 
1 6   PRO n 
1 7   PRO n 
1 8   PRO n 
1 9   GLU n 
1 10  THR n 
1 11  SER n 
1 12  ASN n 
1 13  PRO n 
1 14  ASN n 
1 15  LYS n 
1 16  PRO n 
1 17  LYS n 
1 18  ARG n 
1 19  GLN n 
1 20  THR n 
1 21  ASN n 
1 22  GLN n 
1 23  LEU n 
1 24  GLN n 
1 25  TYR n 
1 26  LEU n 
1 27  LEU n 
1 28  ARG n 
1 29  VAL n 
1 30  VAL n 
1 31  LEU n 
1 32  LYS n 
1 33  THR n 
1 34  LEU n 
1 35  TRP n 
1 36  LYS n 
1 37  HIS n 
1 38  GLN n 
1 39  PHE n 
1 40  ALA n 
1 41  TRP n 
1 42  PRO n 
1 43  PHE n 
1 44  GLN n 
1 45  GLN n 
1 46  PRO n 
1 47  VAL n 
1 48  ASP n 
1 49  ALA n 
1 50  VAL n 
1 51  LYS n 
1 52  LEU n 
1 53  ASN n 
1 54  LEU n 
1 55  PRO n 
1 56  ASP n 
1 57  TYR n 
1 58  TYR n 
1 59  LYS n 
1 60  ILE n 
1 61  ILE n 
1 62  LYS n 
1 63  THR n 
1 64  PRO n 
1 65  MET n 
1 66  ASP n 
1 67  MET n 
1 68  GLY n 
1 69  THR n 
1 70  ILE n 
1 71  LYS n 
1 72  LYS n 
1 73  ARG n 
1 74  LEU n 
1 75  GLU n 
1 76  ASN n 
1 77  ASN n 
1 78  TYR n 
1 79  TYR n 
1 80  TRP n 
1 81  ASN n 
1 82  ALA n 
1 83  GLN n 
1 84  GLU n 
1 85  CYS n 
1 86  ILE n 
1 87  GLN n 
1 88  ASP n 
1 89  PHE n 
1 90  ASN n 
1 91  THR n 
1 92  MET n 
1 93  PHE n 
1 94  THR n 
1 95  ASN n 
1 96  CYS n 
1 97  TYR n 
1 98  ILE n 
1 99  TYR n 
1 100 ASN n 
1 101 LYS n 
1 102 PRO n 
1 103 GLY n 
1 104 ASP n 
1 105 ASP n 
1 106 ILE n 
1 107 VAL n 
1 108 LEU n 
1 109 MET n 
1 110 ALA n 
1 111 GLU n 
1 112 ALA n 
1 113 LEU n 
1 114 GLU n 
1 115 LYS n 
1 116 LEU n 
1 117 PHE n 
1 118 LEU n 
1 119 GLN n 
1 120 LYS n 
1 121 ILE n 
1 122 ASN n 
1 123 GLU n 
1 124 LEU n 
1 125 PRO n 
1 126 THR n 
1 127 GLU 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                 'BRD4, HUNK1' 
_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' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_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 
A1LZB non-polymer         . 
'7-[2-(cyclopropylmethoxy)phenyl]-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[4,3-c]pyridin-4-one' ? 
'C24 H30 N4 O4 S' 470.584 
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   41  ?   ?   ?   A . n 
A 1 2   SER 2   42  42  SER SER A . n 
A 1 3   MET 3   43  43  MET MET A . n 
A 1 4   ASN 4   44  44  ASN ASN A . n 
A 1 5   PRO 5   45  45  PRO PRO A . n 
A 1 6   PRO 6   46  46  PRO PRO A . n 
A 1 7   PRO 7   47  47  PRO PRO A . n 
A 1 8   PRO 8   48  48  PRO PRO A . n 
A 1 9   GLU 9   49  49  GLU GLU A . n 
A 1 10  THR 10  50  50  THR THR A . n 
A 1 11  SER 11  51  51  SER SER A . n 
A 1 12  ASN 12  52  52  ASN ASN A . n 
A 1 13  PRO 13  53  53  PRO PRO A . n 
A 1 14  ASN 14  54  54  ASN ASN A . n 
A 1 15  LYS 15  55  55  LYS LYS A . n 
A 1 16  PRO 16  56  56  PRO PRO A . n 
A 1 17  LYS 17  57  57  LYS LYS A . n 
A 1 18  ARG 18  58  58  ARG ARG A . n 
A 1 19  GLN 19  59  59  GLN GLN A . n 
A 1 20  THR 20  60  60  THR THR A . n 
A 1 21  ASN 21  61  61  ASN ASN A . n 
A 1 22  GLN 22  62  62  GLN GLN A . n 
A 1 23  LEU 23  63  63  LEU LEU A . n 
A 1 24  GLN 24  64  64  GLN GLN A . n 
A 1 25  TYR 25  65  65  TYR TYR A . n 
A 1 26  LEU 26  66  66  LEU LEU A . n 
A 1 27  LEU 27  67  67  LEU LEU A . n 
A 1 28  ARG 28  68  68  ARG ARG A . n 
A 1 29  VAL 29  69  69  VAL VAL A . n 
A 1 30  VAL 30  70  70  VAL VAL A . n 
A 1 31  LEU 31  71  71  LEU LEU A . n 
A 1 32  LYS 32  72  72  LYS LYS A . n 
A 1 33  THR 33  73  73  THR THR A . n 
A 1 34  LEU 34  74  74  LEU LEU A . n 
A 1 35  TRP 35  75  75  TRP TRP A . n 
A 1 36  LYS 36  76  76  LYS LYS A . n 
A 1 37  HIS 37  77  77  HIS HIS A . n 
A 1 38  GLN 38  78  78  GLN GLN A . n 
A 1 39  PHE 39  79  79  PHE PHE A . n 
A 1 40  ALA 40  80  80  ALA ALA A . n 
A 1 41  TRP 41  81  81  TRP TRP A . n 
A 1 42  PRO 42  82  82  PRO PRO A . n 
A 1 43  PHE 43  83  83  PHE PHE A . n 
A 1 44  GLN 44  84  84  GLN GLN A . n 
A 1 45  GLN 45  85  85  GLN GLN A . n 
A 1 46  PRO 46  86  86  PRO PRO A . n 
A 1 47  VAL 47  87  87  VAL VAL A . n 
A 1 48  ASP 48  88  88  ASP ASP A . n 
A 1 49  ALA 49  89  89  ALA ALA A . n 
A 1 50  VAL 50  90  90  VAL VAL A . n 
A 1 51  LYS 51  91  91  LYS LYS A . n 
A 1 52  LEU 52  92  92  LEU LEU A . n 
A 1 53  ASN 53  93  93  ASN ASN A . n 
A 1 54  LEU 54  94  94  LEU LEU A . n 
A 1 55  PRO 55  95  95  PRO PRO A . n 
A 1 56  ASP 56  96  96  ASP ASP A . n 
A 1 57  TYR 57  97  97  TYR TYR A . n 
A 1 58  TYR 58  98  98  TYR TYR A . n 
A 1 59  LYS 59  99  99  LYS LYS A . n 
A 1 60  ILE 60  100 100 ILE ILE A . n 
A 1 61  ILE 61  101 101 ILE ILE A . n 
A 1 62  LYS 62  102 102 LYS LYS A . n 
A 1 63  THR 63  103 103 THR THR A . n 
A 1 64  PRO 64  104 104 PRO PRO A . n 
A 1 65  MET 65  105 105 MET MET A . n 
A 1 66  ASP 66  106 106 ASP ASP A . n 
A 1 67  MET 67  107 107 MET MET A . n 
A 1 68  GLY 68  108 108 GLY GLY A . n 
A 1 69  THR 69  109 109 THR THR A . n 
A 1 70  ILE 70  110 110 ILE ILE A . n 
A 1 71  LYS 71  111 111 LYS LYS A . n 
A 1 72  LYS 72  112 112 LYS LYS A . n 
A 1 73  ARG 73  113 113 ARG ARG A . n 
A 1 74  LEU 74  114 114 LEU LEU A . n 
A 1 75  GLU 75  115 115 GLU GLU A . n 
A 1 76  ASN 76  116 116 ASN ASN A . n 
A 1 77  ASN 77  117 117 ASN ASN A . n 
A 1 78  TYR 78  118 118 TYR TYR A . n 
A 1 79  TYR 79  119 119 TYR TYR A . n 
A 1 80  TRP 80  120 120 TRP TRP A . n 
A 1 81  ASN 81  121 121 ASN ASN A . n 
A 1 82  ALA 82  122 122 ALA ALA A . n 
A 1 83  GLN 83  123 123 GLN GLN A . n 
A 1 84  GLU 84  124 124 GLU GLU A . n 
A 1 85  CYS 85  125 125 CYS CYS A . n 
A 1 86  ILE 86  126 126 ILE ILE A . n 
A 1 87  GLN 87  127 127 GLN GLN A . n 
A 1 88  ASP 88  128 128 ASP ASP A . n 
A 1 89  PHE 89  129 129 PHE PHE A . n 
A 1 90  ASN 90  130 130 ASN ASN A . n 
A 1 91  THR 91  131 131 THR THR A . n 
A 1 92  MET 92  132 132 MET MET A . n 
A 1 93  PHE 93  133 133 PHE PHE A . n 
A 1 94  THR 94  134 134 THR THR A . n 
A 1 95  ASN 95  135 135 ASN ASN A . n 
A 1 96  CYS 96  136 136 CYS CYS A . n 
A 1 97  TYR 97  137 137 TYR TYR A . n 
A 1 98  ILE 98  138 138 ILE ILE A . n 
A 1 99  TYR 99  139 139 TYR TYR A . n 
A 1 100 ASN 100 140 140 ASN ASN A . n 
A 1 101 LYS 101 141 141 LYS LYS A . n 
A 1 102 PRO 102 142 142 PRO PRO A . n 
A 1 103 GLY 103 143 143 GLY GLY A . n 
A 1 104 ASP 104 144 144 ASP ASP A . n 
A 1 105 ASP 105 145 145 ASP ASP A . n 
A 1 106 ILE 106 146 146 ILE ILE A . n 
A 1 107 VAL 107 147 147 VAL VAL A . n 
A 1 108 LEU 108 148 148 LEU LEU A . n 
A 1 109 MET 109 149 149 MET MET A . n 
A 1 110 ALA 110 150 150 ALA ALA A . n 
A 1 111 GLU 111 151 151 GLU GLU A . n 
A 1 112 ALA 112 152 152 ALA ALA A . n 
A 1 113 LEU 113 153 153 LEU LEU A . n 
A 1 114 GLU 114 154 154 GLU GLU A . n 
A 1 115 LYS 115 155 155 LYS LYS A . n 
A 1 116 LEU 116 156 156 LEU LEU A . n 
A 1 117 PHE 117 157 157 PHE PHE A . n 
A 1 118 LEU 118 158 158 LEU LEU A . n 
A 1 119 GLN 119 159 159 GLN GLN A . n 
A 1 120 LYS 120 160 160 LYS LYS A . n 
A 1 121 ILE 121 161 161 ILE ILE A . n 
A 1 122 ASN 122 162 162 ASN ASN A . n 
A 1 123 GLU 123 163 163 GLU GLU A . n 
A 1 124 LEU 124 164 164 LEU LEU A . n 
A 1 125 PRO 125 165 165 PRO PRO A . n 
A 1 126 THR 126 166 166 THR THR A . n 
A 1 127 GLU 127 167 ?   ?   ?   A . n 
A 1 128 GLU 128 168 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1LZB 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1LZB 
_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 
B 2 A1LZB 1   201 201 A1LZB UNL A . 
C 3 HOH   1   301 88  HOH   HOH A . 
C 3 HOH   2   302 121 HOH   HOH A . 
C 3 HOH   3   303 109 HOH   HOH A . 
C 3 HOH   4   304 105 HOH   HOH A . 
C 3 HOH   5   305 1   HOH   HOH A . 
C 3 HOH   6   306 86  HOH   HOH A . 
C 3 HOH   7   307 130 HOH   HOH A . 
C 3 HOH   8   308 99  HOH   HOH A . 
C 3 HOH   9   309 71  HOH   HOH A . 
C 3 HOH   10  310 25  HOH   HOH A . 
C 3 HOH   11  311 29  HOH   HOH A . 
C 3 HOH   12  312 135 HOH   HOH A . 
C 3 HOH   13  313 36  HOH   HOH A . 
C 3 HOH   14  314 39  HOH   HOH A . 
C 3 HOH   15  315 15  HOH   HOH A . 
C 3 HOH   16  316 152 HOH   HOH A . 
C 3 HOH   17  317 5   HOH   HOH A . 
C 3 HOH   18  318 18  HOH   HOH A . 
C 3 HOH   19  319 43  HOH   HOH A . 
C 3 HOH   20  320 33  HOH   HOH A . 
C 3 HOH   21  321 78  HOH   HOH A . 
C 3 HOH   22  322 17  HOH   HOH A . 
C 3 HOH   23  323 74  HOH   HOH A . 
C 3 HOH   24  324 42  HOH   HOH A . 
C 3 HOH   25  325 8   HOH   HOH A . 
C 3 HOH   26  326 49  HOH   HOH A . 
C 3 HOH   27  327 62  HOH   HOH A . 
C 3 HOH   28  328 113 HOH   HOH A . 
C 3 HOH   29  329 12  HOH   HOH A . 
C 3 HOH   30  330 38  HOH   HOH A . 
C 3 HOH   31  331 132 HOH   HOH A . 
C 3 HOH   32  332 6   HOH   HOH A . 
C 3 HOH   33  333 72  HOH   HOH A . 
C 3 HOH   34  334 22  HOH   HOH A . 
C 3 HOH   35  335 85  HOH   HOH A . 
C 3 HOH   36  336 134 HOH   HOH A . 
C 3 HOH   37  337 65  HOH   HOH A . 
C 3 HOH   38  338 28  HOH   HOH A . 
C 3 HOH   39  339 107 HOH   HOH A . 
C 3 HOH   40  340 30  HOH   HOH A . 
C 3 HOH   41  341 31  HOH   HOH A . 
C 3 HOH   42  342 75  HOH   HOH A . 
C 3 HOH   43  343 53  HOH   HOH A . 
C 3 HOH   44  344 68  HOH   HOH A . 
C 3 HOH   45  345 48  HOH   HOH A . 
C 3 HOH   46  346 4   HOH   HOH A . 
C 3 HOH   47  347 20  HOH   HOH A . 
C 3 HOH   48  348 93  HOH   HOH A . 
C 3 HOH   49  349 27  HOH   HOH A . 
C 3 HOH   50  350 11  HOH   HOH A . 
C 3 HOH   51  351 119 HOH   HOH A . 
C 3 HOH   52  352 23  HOH   HOH A . 
C 3 HOH   53  353 58  HOH   HOH A . 
C 3 HOH   54  354 2   HOH   HOH A . 
C 3 HOH   55  355 91  HOH   HOH A . 
C 3 HOH   56  356 52  HOH   HOH A . 
C 3 HOH   57  357 70  HOH   HOH A . 
C 3 HOH   58  358 10  HOH   HOH A . 
C 3 HOH   59  359 57  HOH   HOH A . 
C 3 HOH   60  360 51  HOH   HOH A . 
C 3 HOH   61  361 63  HOH   HOH A . 
C 3 HOH   62  362 111 HOH   HOH A . 
C 3 HOH   63  363 80  HOH   HOH A . 
C 3 HOH   64  364 21  HOH   HOH A . 
C 3 HOH   65  365 79  HOH   HOH A . 
C 3 HOH   66  366 13  HOH   HOH A . 
C 3 HOH   67  367 96  HOH   HOH A . 
C 3 HOH   68  368 26  HOH   HOH A . 
C 3 HOH   69  369 117 HOH   HOH A . 
C 3 HOH   70  370 37  HOH   HOH A . 
C 3 HOH   71  371 90  HOH   HOH A . 
C 3 HOH   72  372 3   HOH   HOH A . 
C 3 HOH   73  373 64  HOH   HOH A . 
C 3 HOH   74  374 9   HOH   HOH A . 
C 3 HOH   75  375 60  HOH   HOH A . 
C 3 HOH   76  376 14  HOH   HOH A . 
C 3 HOH   77  377 24  HOH   HOH A . 
C 3 HOH   78  378 35  HOH   HOH A . 
C 3 HOH   79  379 98  HOH   HOH A . 
C 3 HOH   80  380 19  HOH   HOH A . 
C 3 HOH   81  381 108 HOH   HOH A . 
C 3 HOH   82  382 76  HOH   HOH A . 
C 3 HOH   83  383 73  HOH   HOH A . 
C 3 HOH   84  384 100 HOH   HOH A . 
C 3 HOH   85  385 112 HOH   HOH A . 
C 3 HOH   86  386 7   HOH   HOH A . 
C 3 HOH   87  387 81  HOH   HOH A . 
C 3 HOH   88  388 92  HOH   HOH A . 
C 3 HOH   89  389 47  HOH   HOH A . 
C 3 HOH   90  390 122 HOH   HOH A . 
C 3 HOH   91  391 133 HOH   HOH A . 
C 3 HOH   92  392 69  HOH   HOH A . 
C 3 HOH   93  393 128 HOH   HOH A . 
C 3 HOH   94  394 83  HOH   HOH A . 
C 3 HOH   95  395 77  HOH   HOH A . 
C 3 HOH   96  396 32  HOH   HOH A . 
C 3 HOH   97  397 16  HOH   HOH A . 
C 3 HOH   98  398 106 HOH   HOH A . 
C 3 HOH   99  399 46  HOH   HOH A . 
C 3 HOH   100 400 101 HOH   HOH A . 
C 3 HOH   101 401 149 HOH   HOH A . 
C 3 HOH   102 402 54  HOH   HOH A . 
C 3 HOH   103 403 56  HOH   HOH A . 
C 3 HOH   104 404 146 HOH   HOH A . 
C 3 HOH   105 405 87  HOH   HOH A . 
C 3 HOH   106 406 95  HOH   HOH A . 
C 3 HOH   107 407 148 HOH   HOH A . 
C 3 HOH   108 408 150 HOH   HOH A . 
C 3 HOH   109 409 94  HOH   HOH A . 
C 3 HOH   110 410 127 HOH   HOH A . 
C 3 HOH   111 411 82  HOH   HOH A . 
C 3 HOH   112 412 44  HOH   HOH A . 
C 3 HOH   113 413 120 HOH   HOH A . 
C 3 HOH   114 414 110 HOH   HOH A . 
C 3 HOH   115 415 140 HOH   HOH A . 
C 3 HOH   116 416 126 HOH   HOH A . 
C 3 HOH   117 417 45  HOH   HOH A . 
C 3 HOH   118 418 138 HOH   HOH A . 
C 3 HOH   119 419 41  HOH   HOH A . 
C 3 HOH   120 420 66  HOH   HOH A . 
C 3 HOH   121 421 151 HOH   HOH A . 
C 3 HOH   122 422 136 HOH   HOH A . 
C 3 HOH   123 423 143 HOH   HOH A . 
C 3 HOH   124 424 129 HOH   HOH A . 
C 3 HOH   125 425 123 HOH   HOH A . 
C 3 HOH   126 426 67  HOH   HOH A . 
C 3 HOH   127 427 61  HOH   HOH A . 
C 3 HOH   128 428 118 HOH   HOH A . 
C 3 HOH   129 429 144 HOH   HOH A . 
C 3 HOH   130 430 59  HOH   HOH A . 
C 3 HOH   131 431 125 HOH   HOH A . 
C 3 HOH   132 432 104 HOH   HOH A . 
C 3 HOH   133 433 50  HOH   HOH A . 
C 3 HOH   134 434 124 HOH   HOH A . 
C 3 HOH   135 435 102 HOH   HOH A . 
C 3 HOH   136 436 145 HOH   HOH A . 
C 3 HOH   137 437 115 HOH   HOH A . 
C 3 HOH   138 438 97  HOH   HOH A . 
C 3 HOH   139 439 114 HOH   HOH A . 
C 3 HOH   140 440 34  HOH   HOH A . 
C 3 HOH   141 441 84  HOH   HOH A . 
C 3 HOH   142 442 55  HOH   HOH A . 
C 3 HOH   143 443 40  HOH   HOH A . 
C 3 HOH   144 444 141 HOH   HOH A . 
C 3 HOH   145 445 103 HOH   HOH A . 
C 3 HOH   146 446 89  HOH   HOH A . 
C 3 HOH   147 447 139 HOH   HOH A . 
C 3 HOH   148 448 131 HOH   HOH A . 
C 3 HOH   149 449 137 HOH   HOH A . 
C 3 HOH   150 450 142 HOH   HOH A . 
C 3 HOH   151 451 116 HOH   HOH A . 
C 3 HOH   152 452 147 HOH   HOH A . 
# 
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 ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8YMF 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     41.030 
_cell.length_a_esd                 ? 
_cell.length_b                     52.370 
_cell.length_b_esd                 ? 
_cell.length_c                     57.940 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_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                         8YMF 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_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                   8YMF 
_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             2.10 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          41.35 
_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' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_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    '0.1M Hepes pH 7.0, 5% MgCl2, 20% PEG 6000' 
_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 EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2020-09-19 
_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   1.0 
_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                        'SLS BEAMLINE X06DA' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   X06DA 
_diffrn_source.pdbx_synchrotron_site       SLS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8YMF 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.015 
_reflns.d_resolution_low                               50 
_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                                     99575 
_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                           79.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.17 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          16.84 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_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                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.997 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_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                        ? 
# 
_reflns_shell.d_res_high                                    1.015 
_reflns_shell.d_res_low                                     1.04 
_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                             913 
_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                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.878 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          9.9 
_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               ? 
# 
_refine.aniso_B[1][1]                            0.244 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.314 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.071 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               12.873 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.969 
_refine.correlation_coeff_Fo_to_Fc_free          0.965 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8YMF 
_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                            1.015 
_refine.ls_d_res_low                             38.852 
_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                     52990 
_refine.ls_number_reflns_R_free                  2650 
_refine.ls_number_reflns_R_work                  50340 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    81.308 
_refine.ls_percent_reflns_R_free                 5.001 
_refine.ls_R_factor_all                          0.148 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1712 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1473 
_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                    'BABINET MODEL PLUS MASK' 
_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               'FREE R-VALUE' 
_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                       0.029 
_refine.pdbx_overall_ESU_R_Free                  0.030 
_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                             ? 
_refine.overall_SU_ML                            ? 
_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                       1.015 
_refine_hist.d_res_low                        38.852 
_refine_hist.number_atoms_solvent             152 
_refine_hist.number_atoms_total               1228 
_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        1043 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         33 
_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' ? 0.019  0.012  1125 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.032  0.016  1073 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 2.149  1.662  1539 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 2.344  1.581  2484 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 5.649  5.000  128  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 33.573 25.000 56   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.305 15.000 196  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 22.268 15.000 3    ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.144  0.200  140  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.014  0.020  1250 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.021  0.020  253  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.247  0.200  242  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.206  0.200  942  ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.200  0.200  562  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.076  0.200  518  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.121  0.200  73   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.288  0.200  16   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.241  0.200  44   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.185  0.200  16   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 0.018  0.200  1    ? r_xyhbond_nbd_other            ? ? 
'X-RAY DIFFRACTION' ? 1.186  1.047  506  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.139  1.044  505  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 1.425  1.581  633  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 1.447  1.583  634  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.397  1.327  619  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.395  1.327  620  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.993  1.891  902  ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.991  1.891  903  ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.280  13.388 1351 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.206  12.936 1321 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 12.448 3.000  2198 ? r_rigid_bond_restr             ? ? 
# 
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' 1.015 1.041  4738 . 29  551  12.2415 . 0.233 . . 0.230 . . . . . 0.196 . 20 . 0.924 0.897 0.302 
'X-RAY DIFFRACTION' 1.041 1.070  4648 . 71  1349 30.5508 . 0.160 . . 0.161 . . . . . 0.140 . 20 . 0.954 0.964 0.149 
'X-RAY DIFFRACTION' 1.070 1.101  4490 . 108 2050 48.0624 . 0.139 . . 0.138 . . . . . 0.127 . 20 . 0.967 0.965 0.165 
'X-RAY DIFFRACTION' 1.101 1.135  4405 . 152 2884 68.9217 . 0.126 . . 0.125 . . . . . 0.116 . 20 . 0.975 0.974 0.146 
'X-RAY DIFFRACTION' 1.135 1.172  4276 . 186 3543 87.2077 . 0.122 . . 0.119 . . . . . 0.113 . 20 . 0.976 0.969 0.162 
'X-RAY DIFFRACTION' 1.172 1.213  4097 . 199 3768 96.8270 . 0.121 . . 0.120 . . . . . 0.115 . 20 . 0.978 0.973 0.144 
'X-RAY DIFFRACTION' 1.213 1.259  3996 . 196 3741 98.5235 . 0.120 . . 0.119 . . . . . 0.115 . 20 . 0.980 0.977 0.132 
'X-RAY DIFFRACTION' 1.259 1.310  3826 . 189 3584 98.6147 . 0.119 . . 0.118 . . . . . 0.116 . 20 . 0.978 0.971 0.150 
'X-RAY DIFFRACTION' 1.310 1.368  3686 . 183 3474 99.2132 . 0.115 . . 0.113 . . . . . 0.114 . 20 . 0.978 0.970 0.156 
'X-RAY DIFFRACTION' 1.368 1.435  3512 . 174 3304 99.0319 . 0.116 . . 0.114 . . . . . 0.116 . 20 . 0.981 0.974 0.153 
'X-RAY DIFFRACTION' 1.435 1.512  3394 . 168 3204 99.3518 . 0.111 . . 0.110 . . . . . 0.116 . 20 . 0.982 0.976 0.135 
'X-RAY DIFFRACTION' 1.512 1.604  3171 . 158 2997 99.4954 . 0.116 . . 0.114 . . . . . 0.124 . 20 . 0.980 0.976 0.148 
'X-RAY DIFFRACTION' 1.604 1.715  3006 . 150 2847 99.7006 . 0.125 . . 0.124 . . . . . 0.140 . 20 . 0.977 0.972 0.145 
'X-RAY DIFFRACTION' 1.715 1.852  2802 . 137 2606 97.8944 . 0.133 . . 0.131 . . . . . 0.152 . 20 . 0.974 0.958 0.181 
'X-RAY DIFFRACTION' 1.852 2.028  2607 . 129 2448 98.8493 . 0.139 . . 0.139 . . . . . 0.167 . 20 . 0.974 0.973 0.149 
'X-RAY DIFFRACTION' 2.028 2.266  2363 . 117 2227 99.1959 . 0.142 . . 0.141 . . . . . 0.177 . 20 . 0.976 0.976 0.148 
'X-RAY DIFFRACTION' 2.266 2.616  2097 . 104 1976 99.1893 . 0.160 . . 0.159 . . . . . 0.214 . 20 . 0.970 0.969 0.162 
'X-RAY DIFFRACTION' 2.616 3.200  1779 . 89  1681 99.4941 . 0.180 . . 0.178 . . . . . 0.238 . 20 . 0.957 0.951 0.208 
'X-RAY DIFFRACTION' 3.200 4.510  1433 . 69  1316 96.6504 . 0.176 . . 0.174 . . . . . 0.239 . 20 . 0.966 0.953 0.214 
'X-RAY DIFFRACTION' 4.510 38.852 846  . 42  790  98.3452 . 0.236 . . 0.236 . . . . . 0.363 . 20 . 0.946 0.957 0.247 
# 
_struct.entry_id                     8YMF 
_struct.title                        
;BRD4-BD1 in complex with 7-[2-(cyclopropylmethoxy)phenyl]-5-methyl-2-[(1-methylsulfonyl-4-piperidyl)methyl]pyrazolo[4,3-c]pyridin-4-one
;
_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        8YMF 
_struct_keywords.text            
'brd4, epigenetic, signaling protein-inhibitor complex, signaling protein/inhibitor, SIGNALING PROTEIN' 
_struct_keywords.pdbx_keywords   'SIGNALING PROTEIN' 
# 
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 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    BRD4_HUMAN 
_struct_ref.pdbx_db_accession          O60885 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;NPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQ
ECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
;
_struct_ref.pdbx_align_begin           44 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8YMF 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 4 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 128 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             O60885 
_struct_ref_seq.db_align_beg                  44 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  168 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       44 
_struct_ref_seq.pdbx_auth_seq_align_end       168 
# 
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 8YMF GLY A 1 ? UNP O60885 ? ? 'expression tag' 41 1 
1 8YMF SER A 2 ? UNP O60885 ? ? 'expression tag' 42 2 
1 8YMF MET A 3 ? UNP O60885 ? ? 'expression tag' 43 3 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_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 THR A 20  ? VAL A 29  ? THR A 60  VAL A 69  1 ? 10 
HELX_P HELX_P2 AA2 VAL A 29  ? LYS A 36  ? VAL A 69  LYS A 76  1 ? 8  
HELX_P HELX_P3 AA3 ALA A 40  ? GLN A 44  ? ALA A 80  GLN A 84  5 ? 5  
HELX_P HELX_P4 AA4 ASP A 48  ? ASN A 53  ? ASP A 88  ASN A 93  1 ? 6  
HELX_P HELX_P5 AA5 ASP A 56  ? ILE A 61  ? ASP A 96  ILE A 101 1 ? 6  
HELX_P HELX_P6 AA6 ASP A 66  ? ASN A 76  ? ASP A 106 ASN A 116 1 ? 11 
HELX_P HELX_P7 AA7 ASN A 81  ? ASN A 100 ? ASN A 121 ASN A 140 1 ? 20 
HELX_P HELX_P8 AA8 ASP A 104 ? GLU A 123 ? ASP A 144 GLU A 163 1 ? 20 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_pdbx_entry_details.entry_id                   8YMF 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    VAL 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     69 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -106.32 
_pdbx_validate_torsion.psi             -62.70 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 448 ? 5.87 .    
2 1 O ? A HOH 449 ? 6.03 .    
3 1 O ? A HOH 450 ? 6.09 .    
4 1 O ? A HOH 451 ? 6.82 .    
5 1 O ? A HOH 452 ? .    7.38 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A GLY 41  ? A GLY 1   
2 1 Y 1 A GLU 167 ? A GLU 127 
3 1 Y 1 A GLU 168 ? A GLU 128 
# 
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 
A1LZB C1   C N N 1   
A1LZB N1   N N N 2   
A1LZB C2   C N N 3   
A1LZB C3   C N N 4   
A1LZB C4   C Y N 5   
A1LZB C5   C Y N 6   
A1LZB C6   C Y N 7   
A1LZB C7   C N N 8   
A1LZB O1   O N N 9   
A1LZB C8   C Y N 10  
A1LZB N2   N Y N 11  
A1LZB N3   N Y N 12  
A1LZB C9   C N N 13  
A1LZB C10  C N N 14  
A1LZB C11  C N N 15  
A1LZB C12  C N N 16  
A1LZB N4   N N N 17  
A1LZB C13  C N N 18  
A1LZB C14  C N N 19  
A1LZB S1   S N N 20  
A1LZB C15  C N N 21  
A1LZB O2   O N N 22  
A1LZB O3   O N N 23  
A1LZB C16  C Y N 24  
A1LZB C17  C Y N 25  
A1LZB C18  C Y N 26  
A1LZB C19  C Y N 27  
A1LZB C20  C Y N 28  
A1LZB O4   O N N 29  
A1LZB C21  C N N 30  
A1LZB C22  C N N 31  
A1LZB C23  C N N 32  
A1LZB C24  C N N 33  
A1LZB H3   H N N 34  
A1LZB H1   H N N 35  
A1LZB H2   H N N 36  
A1LZB H4   H N N 37  
A1LZB H5   H N N 38  
A1LZB H6   H N N 39  
A1LZB H7   H N N 40  
A1LZB H8   H N N 41  
A1LZB H9   H N N 42  
A1LZB H10  H N N 43  
A1LZB H11  H N N 44  
A1LZB H12  H N N 45  
A1LZB H13  H N N 46  
A1LZB H14  H N N 47  
A1LZB H16  H N N 48  
A1LZB H15  H N N 49  
A1LZB H19  H N N 50  
A1LZB H17  H N N 51  
A1LZB H18  H N N 52  
A1LZB H20  H N N 53  
A1LZB H21  H N N 54  
A1LZB H22  H N N 55  
A1LZB H23  H N N 56  
A1LZB H24  H N N 57  
A1LZB H25  H N N 58  
A1LZB H26  H N N 59  
A1LZB H27  H N N 60  
A1LZB H28  H N N 61  
A1LZB H30  H N N 62  
A1LZB H29  H N N 63  
ALA   N    N N N 64  
ALA   CA   C N S 65  
ALA   C    C N N 66  
ALA   O    O N N 67  
ALA   CB   C N N 68  
ALA   OXT  O N N 69  
ALA   H    H N N 70  
ALA   H2   H N N 71  
ALA   HA   H N N 72  
ALA   HB1  H N N 73  
ALA   HB2  H N N 74  
ALA   HB3  H N N 75  
ALA   HXT  H N N 76  
ARG   N    N N N 77  
ARG   CA   C N S 78  
ARG   C    C N N 79  
ARG   O    O N N 80  
ARG   CB   C N N 81  
ARG   CG   C N N 82  
ARG   CD   C N N 83  
ARG   NE   N N N 84  
ARG   CZ   C N N 85  
ARG   NH1  N N N 86  
ARG   NH2  N N N 87  
ARG   OXT  O N N 88  
ARG   H    H N N 89  
ARG   H2   H N N 90  
ARG   HA   H N N 91  
ARG   HB2  H N N 92  
ARG   HB3  H N N 93  
ARG   HG2  H N N 94  
ARG   HG3  H N N 95  
ARG   HD2  H N N 96  
ARG   HD3  H N N 97  
ARG   HE   H N N 98  
ARG   HH11 H N N 99  
ARG   HH12 H N N 100 
ARG   HH21 H N N 101 
ARG   HH22 H N N 102 
ARG   HXT  H N N 103 
ASN   N    N N N 104 
ASN   CA   C N S 105 
ASN   C    C N N 106 
ASN   O    O N N 107 
ASN   CB   C N N 108 
ASN   CG   C N N 109 
ASN   OD1  O N N 110 
ASN   ND2  N N N 111 
ASN   OXT  O N N 112 
ASN   H    H N N 113 
ASN   H2   H N N 114 
ASN   HA   H N N 115 
ASN   HB2  H N N 116 
ASN   HB3  H N N 117 
ASN   HD21 H N N 118 
ASN   HD22 H N N 119 
ASN   HXT  H N N 120 
ASP   N    N N N 121 
ASP   CA   C N S 122 
ASP   C    C N N 123 
ASP   O    O N N 124 
ASP   CB   C N N 125 
ASP   CG   C N N 126 
ASP   OD1  O N N 127 
ASP   OD2  O N N 128 
ASP   OXT  O N N 129 
ASP   H    H N N 130 
ASP   H2   H N N 131 
ASP   HA   H N N 132 
ASP   HB2  H N N 133 
ASP   HB3  H N N 134 
ASP   HD2  H N N 135 
ASP   HXT  H N N 136 
CYS   N    N N N 137 
CYS   CA   C N R 138 
CYS   C    C N N 139 
CYS   O    O N N 140 
CYS   CB   C N N 141 
CYS   SG   S N N 142 
CYS   OXT  O N N 143 
CYS   H    H N N 144 
CYS   H2   H N N 145 
CYS   HA   H N N 146 
CYS   HB2  H N N 147 
CYS   HB3  H N N 148 
CYS   HG   H N N 149 
CYS   HXT  H N N 150 
GLN   N    N N N 151 
GLN   CA   C N S 152 
GLN   C    C N N 153 
GLN   O    O N N 154 
GLN   CB   C N N 155 
GLN   CG   C N N 156 
GLN   CD   C N N 157 
GLN   OE1  O N N 158 
GLN   NE2  N N N 159 
GLN   OXT  O N N 160 
GLN   H    H N N 161 
GLN   H2   H N N 162 
GLN   HA   H N N 163 
GLN   HB2  H N N 164 
GLN   HB3  H N N 165 
GLN   HG2  H N N 166 
GLN   HG3  H N N 167 
GLN   HE21 H N N 168 
GLN   HE22 H N N 169 
GLN   HXT  H N N 170 
GLU   N    N N N 171 
GLU   CA   C N S 172 
GLU   C    C N N 173 
GLU   O    O N N 174 
GLU   CB   C N N 175 
GLU   CG   C N N 176 
GLU   CD   C N N 177 
GLU   OE1  O N N 178 
GLU   OE2  O N N 179 
GLU   OXT  O N N 180 
GLU   H    H N N 181 
GLU   H2   H N N 182 
GLU   HA   H N N 183 
GLU   HB2  H N N 184 
GLU   HB3  H N N 185 
GLU   HG2  H N N 186 
GLU   HG3  H N N 187 
GLU   HE2  H N N 188 
GLU   HXT  H N N 189 
GLY   N    N N N 190 
GLY   CA   C N N 191 
GLY   C    C N N 192 
GLY   O    O N N 193 
GLY   OXT  O N N 194 
GLY   H    H N N 195 
GLY   H2   H N N 196 
GLY   HA2  H N N 197 
GLY   HA3  H N N 198 
GLY   HXT  H N N 199 
HIS   N    N N N 200 
HIS   CA   C N S 201 
HIS   C    C N N 202 
HIS   O    O N N 203 
HIS   CB   C N N 204 
HIS   CG   C Y N 205 
HIS   ND1  N Y N 206 
HIS   CD2  C Y N 207 
HIS   CE1  C Y N 208 
HIS   NE2  N Y N 209 
HIS   OXT  O N N 210 
HIS   H    H N N 211 
HIS   H2   H N N 212 
HIS   HA   H N N 213 
HIS   HB2  H N N 214 
HIS   HB3  H N N 215 
HIS   HD1  H N N 216 
HIS   HD2  H N N 217 
HIS   HE1  H N N 218 
HIS   HE2  H N N 219 
HIS   HXT  H N N 220 
HOH   O    O N N 221 
HOH   H1   H N N 222 
HOH   H2   H N N 223 
ILE   N    N N N 224 
ILE   CA   C N S 225 
ILE   C    C N N 226 
ILE   O    O N N 227 
ILE   CB   C N S 228 
ILE   CG1  C N N 229 
ILE   CG2  C N N 230 
ILE   CD1  C N N 231 
ILE   OXT  O N N 232 
ILE   H    H N N 233 
ILE   H2   H N N 234 
ILE   HA   H N N 235 
ILE   HB   H N N 236 
ILE   HG12 H N N 237 
ILE   HG13 H N N 238 
ILE   HG21 H N N 239 
ILE   HG22 H N N 240 
ILE   HG23 H N N 241 
ILE   HD11 H N N 242 
ILE   HD12 H N N 243 
ILE   HD13 H N N 244 
ILE   HXT  H N N 245 
LEU   N    N N N 246 
LEU   CA   C N S 247 
LEU   C    C N N 248 
LEU   O    O N N 249 
LEU   CB   C N N 250 
LEU   CG   C N N 251 
LEU   CD1  C N N 252 
LEU   CD2  C N N 253 
LEU   OXT  O N N 254 
LEU   H    H N N 255 
LEU   H2   H N N 256 
LEU   HA   H N N 257 
LEU   HB2  H N N 258 
LEU   HB3  H N N 259 
LEU   HG   H N N 260 
LEU   HD11 H N N 261 
LEU   HD12 H N N 262 
LEU   HD13 H N N 263 
LEU   HD21 H N N 264 
LEU   HD22 H N N 265 
LEU   HD23 H N N 266 
LEU   HXT  H N N 267 
LYS   N    N N N 268 
LYS   CA   C N S 269 
LYS   C    C N N 270 
LYS   O    O N N 271 
LYS   CB   C N N 272 
LYS   CG   C N N 273 
LYS   CD   C N N 274 
LYS   CE   C N N 275 
LYS   NZ   N N N 276 
LYS   OXT  O N N 277 
LYS   H    H N N 278 
LYS   H2   H N N 279 
LYS   HA   H N N 280 
LYS   HB2  H N N 281 
LYS   HB3  H N N 282 
LYS   HG2  H N N 283 
LYS   HG3  H N N 284 
LYS   HD2  H N N 285 
LYS   HD3  H N N 286 
LYS   HE2  H N N 287 
LYS   HE3  H N N 288 
LYS   HZ1  H N N 289 
LYS   HZ2  H N N 290 
LYS   HZ3  H N N 291 
LYS   HXT  H N N 292 
MET   N    N N N 293 
MET   CA   C N S 294 
MET   C    C N N 295 
MET   O    O N N 296 
MET   CB   C N N 297 
MET   CG   C N N 298 
MET   SD   S N N 299 
MET   CE   C N N 300 
MET   OXT  O N N 301 
MET   H    H N N 302 
MET   H2   H N N 303 
MET   HA   H N N 304 
MET   HB2  H N N 305 
MET   HB3  H N N 306 
MET   HG2  H N N 307 
MET   HG3  H N N 308 
MET   HE1  H N N 309 
MET   HE2  H N N 310 
MET   HE3  H N N 311 
MET   HXT  H N N 312 
PHE   N    N N N 313 
PHE   CA   C N S 314 
PHE   C    C N N 315 
PHE   O    O N N 316 
PHE   CB   C N N 317 
PHE   CG   C Y N 318 
PHE   CD1  C Y N 319 
PHE   CD2  C Y N 320 
PHE   CE1  C Y N 321 
PHE   CE2  C Y N 322 
PHE   CZ   C Y N 323 
PHE   OXT  O N N 324 
PHE   H    H N N 325 
PHE   H2   H N N 326 
PHE   HA   H N N 327 
PHE   HB2  H N N 328 
PHE   HB3  H N N 329 
PHE   HD1  H N N 330 
PHE   HD2  H N N 331 
PHE   HE1  H N N 332 
PHE   HE2  H N N 333 
PHE   HZ   H N N 334 
PHE   HXT  H N N 335 
PRO   N    N N N 336 
PRO   CA   C N S 337 
PRO   C    C N N 338 
PRO   O    O N N 339 
PRO   CB   C N N 340 
PRO   CG   C N N 341 
PRO   CD   C N N 342 
PRO   OXT  O N N 343 
PRO   H    H N N 344 
PRO   HA   H N N 345 
PRO   HB2  H N N 346 
PRO   HB3  H N N 347 
PRO   HG2  H N N 348 
PRO   HG3  H N N 349 
PRO   HD2  H N N 350 
PRO   HD3  H N N 351 
PRO   HXT  H N N 352 
SER   N    N N N 353 
SER   CA   C N S 354 
SER   C    C N N 355 
SER   O    O N N 356 
SER   CB   C N N 357 
SER   OG   O N N 358 
SER   OXT  O N N 359 
SER   H    H N N 360 
SER   H2   H N N 361 
SER   HA   H N N 362 
SER   HB2  H N N 363 
SER   HB3  H N N 364 
SER   HG   H N N 365 
SER   HXT  H N N 366 
THR   N    N N N 367 
THR   CA   C N S 368 
THR   C    C N N 369 
THR   O    O N N 370 
THR   CB   C N R 371 
THR   OG1  O N N 372 
THR   CG2  C N N 373 
THR   OXT  O N N 374 
THR   H    H N N 375 
THR   H2   H N N 376 
THR   HA   H N N 377 
THR   HB   H N N 378 
THR   HG1  H N N 379 
THR   HG21 H N N 380 
THR   HG22 H N N 381 
THR   HG23 H N N 382 
THR   HXT  H N N 383 
TRP   N    N N N 384 
TRP   CA   C N S 385 
TRP   C    C N N 386 
TRP   O    O N N 387 
TRP   CB   C N N 388 
TRP   CG   C Y N 389 
TRP   CD1  C Y N 390 
TRP   CD2  C Y N 391 
TRP   NE1  N Y N 392 
TRP   CE2  C Y N 393 
TRP   CE3  C Y N 394 
TRP   CZ2  C Y N 395 
TRP   CZ3  C Y N 396 
TRP   CH2  C Y N 397 
TRP   OXT  O N N 398 
TRP   H    H N N 399 
TRP   H2   H N N 400 
TRP   HA   H N N 401 
TRP   HB2  H N N 402 
TRP   HB3  H N N 403 
TRP   HD1  H N N 404 
TRP   HE1  H N N 405 
TRP   HE3  H N N 406 
TRP   HZ2  H N N 407 
TRP   HZ3  H N N 408 
TRP   HH2  H N N 409 
TRP   HXT  H N N 410 
TYR   N    N N N 411 
TYR   CA   C N S 412 
TYR   C    C N N 413 
TYR   O    O N N 414 
TYR   CB   C N N 415 
TYR   CG   C Y N 416 
TYR   CD1  C Y N 417 
TYR   CD2  C Y N 418 
TYR   CE1  C Y N 419 
TYR   CE2  C Y N 420 
TYR   CZ   C Y N 421 
TYR   OH   O N N 422 
TYR   OXT  O N N 423 
TYR   H    H N N 424 
TYR   H2   H N N 425 
TYR   HA   H N N 426 
TYR   HB2  H N N 427 
TYR   HB3  H N N 428 
TYR   HD1  H N N 429 
TYR   HD2  H N N 430 
TYR   HE1  H N N 431 
TYR   HE2  H N N 432 
TYR   HH   H N N 433 
TYR   HXT  H N N 434 
VAL   N    N N N 435 
VAL   CA   C N S 436 
VAL   C    C N N 437 
VAL   O    O N N 438 
VAL   CB   C N N 439 
VAL   CG1  C N N 440 
VAL   CG2  C N N 441 
VAL   OXT  O N N 442 
VAL   H    H N N 443 
VAL   H2   H N N 444 
VAL   HA   H N N 445 
VAL   HB   H N N 446 
VAL   HG11 H N N 447 
VAL   HG12 H N N 448 
VAL   HG13 H N N 449 
VAL   HG21 H N N 450 
VAL   HG22 H N N 451 
VAL   HG23 H N N 452 
VAL   HXT  H N N 453 
# 
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 
A1LZB C1  N1   sing N N 1   
A1LZB N1  C2   sing N N 2   
A1LZB C2  C3   doub N N 3   
A1LZB C3  C4   sing N N 4   
A1LZB C3  C5   sing N N 5   
A1LZB C5  C6   sing Y N 6   
A1LZB C6  C7   sing N N 7   
A1LZB N1  C7   sing N N 8   
A1LZB C7  O1   doub N N 9   
A1LZB C6  C8   doub Y N 10  
A1LZB C8  N2   sing Y N 11  
A1LZB N2  N3   sing Y N 12  
A1LZB C5  N3   doub Y N 13  
A1LZB N2  C9   sing N N 14  
A1LZB C9  C10  sing N N 15  
A1LZB C11 C12  sing N N 16  
A1LZB C12 N4   sing N N 17  
A1LZB N4  C13  sing N N 18  
A1LZB C13 C14  sing N N 19  
A1LZB C10 C11  sing N N 20  
A1LZB C10 C14  sing N N 21  
A1LZB N4  S1   sing N N 22  
A1LZB S1  C15  sing N N 23  
A1LZB S1  O2   doub N N 24  
A1LZB S1  O3   doub N N 25  
A1LZB C16 C17  doub Y N 26  
A1LZB C17 C18  sing Y N 27  
A1LZB C18 C19  doub Y N 28  
A1LZB C19 C20  sing Y N 29  
A1LZB C4  C16  sing Y N 30  
A1LZB C4  C20  doub Y N 31  
A1LZB C16 O4   sing N N 32  
A1LZB O4  C21  sing N N 33  
A1LZB C21 C22  sing N N 34  
A1LZB C23 C24  sing N N 35  
A1LZB C22 C23  sing N N 36  
A1LZB C22 C24  sing N N 37  
A1LZB C1  H3   sing N N 38  
A1LZB C1  H1   sing N N 39  
A1LZB C1  H2   sing N N 40  
A1LZB C2  H4   sing N N 41  
A1LZB C8  H5   sing N N 42  
A1LZB C9  H6   sing N N 43  
A1LZB C9  H7   sing N N 44  
A1LZB C10 H8   sing N N 45  
A1LZB C11 H9   sing N N 46  
A1LZB C11 H10  sing N N 47  
A1LZB C12 H11  sing N N 48  
A1LZB C12 H12  sing N N 49  
A1LZB C13 H13  sing N N 50  
A1LZB C13 H14  sing N N 51  
A1LZB C14 H16  sing N N 52  
A1LZB C14 H15  sing N N 53  
A1LZB C15 H19  sing N N 54  
A1LZB C15 H17  sing N N 55  
A1LZB C15 H18  sing N N 56  
A1LZB C17 H20  sing N N 57  
A1LZB C18 H21  sing N N 58  
A1LZB C19 H22  sing N N 59  
A1LZB C20 H23  sing N N 60  
A1LZB C21 H24  sing N N 61  
A1LZB C21 H25  sing N N 62  
A1LZB C22 H26  sing N N 63  
A1LZB C23 H27  sing N N 64  
A1LZB C23 H28  sing N N 65  
A1LZB C24 H30  sing N N 66  
A1LZB C24 H29  sing N N 67  
ALA   N   CA   sing N N 68  
ALA   N   H    sing N N 69  
ALA   N   H2   sing N N 70  
ALA   CA  C    sing N N 71  
ALA   CA  CB   sing N N 72  
ALA   CA  HA   sing N N 73  
ALA   C   O    doub N N 74  
ALA   C   OXT  sing N N 75  
ALA   CB  HB1  sing N N 76  
ALA   CB  HB2  sing N N 77  
ALA   CB  HB3  sing N N 78  
ALA   OXT HXT  sing N N 79  
ARG   N   CA   sing N N 80  
ARG   N   H    sing N N 81  
ARG   N   H2   sing N N 82  
ARG   CA  C    sing N N 83  
ARG   CA  CB   sing N N 84  
ARG   CA  HA   sing N N 85  
ARG   C   O    doub N N 86  
ARG   C   OXT  sing N N 87  
ARG   CB  CG   sing N N 88  
ARG   CB  HB2  sing N N 89  
ARG   CB  HB3  sing N N 90  
ARG   CG  CD   sing N N 91  
ARG   CG  HG2  sing N N 92  
ARG   CG  HG3  sing N N 93  
ARG   CD  NE   sing N N 94  
ARG   CD  HD2  sing N N 95  
ARG   CD  HD3  sing N N 96  
ARG   NE  CZ   sing N N 97  
ARG   NE  HE   sing N N 98  
ARG   CZ  NH1  sing N N 99  
ARG   CZ  NH2  doub N N 100 
ARG   NH1 HH11 sing N N 101 
ARG   NH1 HH12 sing N N 102 
ARG   NH2 HH21 sing N N 103 
ARG   NH2 HH22 sing N N 104 
ARG   OXT HXT  sing N N 105 
ASN   N   CA   sing N N 106 
ASN   N   H    sing N N 107 
ASN   N   H2   sing N N 108 
ASN   CA  C    sing N N 109 
ASN   CA  CB   sing N N 110 
ASN   CA  HA   sing N N 111 
ASN   C   O    doub N N 112 
ASN   C   OXT  sing N N 113 
ASN   CB  CG   sing N N 114 
ASN   CB  HB2  sing N N 115 
ASN   CB  HB3  sing N N 116 
ASN   CG  OD1  doub N N 117 
ASN   CG  ND2  sing N N 118 
ASN   ND2 HD21 sing N N 119 
ASN   ND2 HD22 sing N N 120 
ASN   OXT HXT  sing N N 121 
ASP   N   CA   sing N N 122 
ASP   N   H    sing N N 123 
ASP   N   H2   sing N N 124 
ASP   CA  C    sing N N 125 
ASP   CA  CB   sing N N 126 
ASP   CA  HA   sing N N 127 
ASP   C   O    doub N N 128 
ASP   C   OXT  sing N N 129 
ASP   CB  CG   sing N N 130 
ASP   CB  HB2  sing N N 131 
ASP   CB  HB3  sing N N 132 
ASP   CG  OD1  doub N N 133 
ASP   CG  OD2  sing N N 134 
ASP   OD2 HD2  sing N N 135 
ASP   OXT HXT  sing N N 136 
CYS   N   CA   sing N N 137 
CYS   N   H    sing N N 138 
CYS   N   H2   sing N N 139 
CYS   CA  C    sing N N 140 
CYS   CA  CB   sing N N 141 
CYS   CA  HA   sing N N 142 
CYS   C   O    doub N N 143 
CYS   C   OXT  sing N N 144 
CYS   CB  SG   sing N N 145 
CYS   CB  HB2  sing N N 146 
CYS   CB  HB3  sing N N 147 
CYS   SG  HG   sing N N 148 
CYS   OXT HXT  sing N N 149 
GLN   N   CA   sing N N 150 
GLN   N   H    sing N N 151 
GLN   N   H2   sing N N 152 
GLN   CA  C    sing N N 153 
GLN   CA  CB   sing N N 154 
GLN   CA  HA   sing N N 155 
GLN   C   O    doub N N 156 
GLN   C   OXT  sing N N 157 
GLN   CB  CG   sing N N 158 
GLN   CB  HB2  sing N N 159 
GLN   CB  HB3  sing N N 160 
GLN   CG  CD   sing N N 161 
GLN   CG  HG2  sing N N 162 
GLN   CG  HG3  sing N N 163 
GLN   CD  OE1  doub N N 164 
GLN   CD  NE2  sing N N 165 
GLN   NE2 HE21 sing N N 166 
GLN   NE2 HE22 sing N N 167 
GLN   OXT HXT  sing N N 168 
GLU   N   CA   sing N N 169 
GLU   N   H    sing N N 170 
GLU   N   H2   sing N N 171 
GLU   CA  C    sing N N 172 
GLU   CA  CB   sing N N 173 
GLU   CA  HA   sing N N 174 
GLU   C   O    doub N N 175 
GLU   C   OXT  sing N N 176 
GLU   CB  CG   sing N N 177 
GLU   CB  HB2  sing N N 178 
GLU   CB  HB3  sing N N 179 
GLU   CG  CD   sing N N 180 
GLU   CG  HG2  sing N N 181 
GLU   CG  HG3  sing N N 182 
GLU   CD  OE1  doub N N 183 
GLU   CD  OE2  sing N N 184 
GLU   OE2 HE2  sing N N 185 
GLU   OXT HXT  sing N N 186 
GLY   N   CA   sing N N 187 
GLY   N   H    sing N N 188 
GLY   N   H2   sing N N 189 
GLY   CA  C    sing N N 190 
GLY   CA  HA2  sing N N 191 
GLY   CA  HA3  sing N N 192 
GLY   C   O    doub N N 193 
GLY   C   OXT  sing N N 194 
GLY   OXT HXT  sing N N 195 
HIS   N   CA   sing N N 196 
HIS   N   H    sing N N 197 
HIS   N   H2   sing N N 198 
HIS   CA  C    sing N N 199 
HIS   CA  CB   sing N N 200 
HIS   CA  HA   sing N N 201 
HIS   C   O    doub N N 202 
HIS   C   OXT  sing N N 203 
HIS   CB  CG   sing N N 204 
HIS   CB  HB2  sing N N 205 
HIS   CB  HB3  sing N N 206 
HIS   CG  ND1  sing Y N 207 
HIS   CG  CD2  doub Y N 208 
HIS   ND1 CE1  doub Y N 209 
HIS   ND1 HD1  sing N N 210 
HIS   CD2 NE2  sing Y N 211 
HIS   CD2 HD2  sing N N 212 
HIS   CE1 NE2  sing Y N 213 
HIS   CE1 HE1  sing N N 214 
HIS   NE2 HE2  sing N N 215 
HIS   OXT HXT  sing N N 216 
HOH   O   H1   sing N N 217 
HOH   O   H2   sing N N 218 
ILE   N   CA   sing N N 219 
ILE   N   H    sing N N 220 
ILE   N   H2   sing N N 221 
ILE   CA  C    sing N N 222 
ILE   CA  CB   sing N N 223 
ILE   CA  HA   sing N N 224 
ILE   C   O    doub N N 225 
ILE   C   OXT  sing N N 226 
ILE   CB  CG1  sing N N 227 
ILE   CB  CG2  sing N N 228 
ILE   CB  HB   sing N N 229 
ILE   CG1 CD1  sing N N 230 
ILE   CG1 HG12 sing N N 231 
ILE   CG1 HG13 sing N N 232 
ILE   CG2 HG21 sing N N 233 
ILE   CG2 HG22 sing N N 234 
ILE   CG2 HG23 sing N N 235 
ILE   CD1 HD11 sing N N 236 
ILE   CD1 HD12 sing N N 237 
ILE   CD1 HD13 sing N N 238 
ILE   OXT HXT  sing N N 239 
LEU   N   CA   sing N N 240 
LEU   N   H    sing N N 241 
LEU   N   H2   sing N N 242 
LEU   CA  C    sing N N 243 
LEU   CA  CB   sing N N 244 
LEU   CA  HA   sing N N 245 
LEU   C   O    doub N N 246 
LEU   C   OXT  sing N N 247 
LEU   CB  CG   sing N N 248 
LEU   CB  HB2  sing N N 249 
LEU   CB  HB3  sing N N 250 
LEU   CG  CD1  sing N N 251 
LEU   CG  CD2  sing N N 252 
LEU   CG  HG   sing N N 253 
LEU   CD1 HD11 sing N N 254 
LEU   CD1 HD12 sing N N 255 
LEU   CD1 HD13 sing N N 256 
LEU   CD2 HD21 sing N N 257 
LEU   CD2 HD22 sing N N 258 
LEU   CD2 HD23 sing N N 259 
LEU   OXT HXT  sing N N 260 
LYS   N   CA   sing N N 261 
LYS   N   H    sing N N 262 
LYS   N   H2   sing N N 263 
LYS   CA  C    sing N N 264 
LYS   CA  CB   sing N N 265 
LYS   CA  HA   sing N N 266 
LYS   C   O    doub N N 267 
LYS   C   OXT  sing N N 268 
LYS   CB  CG   sing N N 269 
LYS   CB  HB2  sing N N 270 
LYS   CB  HB3  sing N N 271 
LYS   CG  CD   sing N N 272 
LYS   CG  HG2  sing N N 273 
LYS   CG  HG3  sing N N 274 
LYS   CD  CE   sing N N 275 
LYS   CD  HD2  sing N N 276 
LYS   CD  HD3  sing N N 277 
LYS   CE  NZ   sing N N 278 
LYS   CE  HE2  sing N N 279 
LYS   CE  HE3  sing N N 280 
LYS   NZ  HZ1  sing N N 281 
LYS   NZ  HZ2  sing N N 282 
LYS   NZ  HZ3  sing N N 283 
LYS   OXT HXT  sing N N 284 
MET   N   CA   sing N N 285 
MET   N   H    sing N N 286 
MET   N   H2   sing N N 287 
MET   CA  C    sing N N 288 
MET   CA  CB   sing N N 289 
MET   CA  HA   sing N N 290 
MET   C   O    doub N N 291 
MET   C   OXT  sing N N 292 
MET   CB  CG   sing N N 293 
MET   CB  HB2  sing N N 294 
MET   CB  HB3  sing N N 295 
MET   CG  SD   sing N N 296 
MET   CG  HG2  sing N N 297 
MET   CG  HG3  sing N N 298 
MET   SD  CE   sing N N 299 
MET   CE  HE1  sing N N 300 
MET   CE  HE2  sing N N 301 
MET   CE  HE3  sing N N 302 
MET   OXT HXT  sing N N 303 
PHE   N   CA   sing N N 304 
PHE   N   H    sing N N 305 
PHE   N   H2   sing N N 306 
PHE   CA  C    sing N N 307 
PHE   CA  CB   sing N N 308 
PHE   CA  HA   sing N N 309 
PHE   C   O    doub N N 310 
PHE   C   OXT  sing N N 311 
PHE   CB  CG   sing N N 312 
PHE   CB  HB2  sing N N 313 
PHE   CB  HB3  sing N N 314 
PHE   CG  CD1  doub Y N 315 
PHE   CG  CD2  sing Y N 316 
PHE   CD1 CE1  sing Y N 317 
PHE   CD1 HD1  sing N N 318 
PHE   CD2 CE2  doub Y N 319 
PHE   CD2 HD2  sing N N 320 
PHE   CE1 CZ   doub Y N 321 
PHE   CE1 HE1  sing N N 322 
PHE   CE2 CZ   sing Y N 323 
PHE   CE2 HE2  sing N N 324 
PHE   CZ  HZ   sing N N 325 
PHE   OXT HXT  sing N N 326 
PRO   N   CA   sing N N 327 
PRO   N   CD   sing N N 328 
PRO   N   H    sing N N 329 
PRO   CA  C    sing N N 330 
PRO   CA  CB   sing N N 331 
PRO   CA  HA   sing N N 332 
PRO   C   O    doub N N 333 
PRO   C   OXT  sing N N 334 
PRO   CB  CG   sing N N 335 
PRO   CB  HB2  sing N N 336 
PRO   CB  HB3  sing N N 337 
PRO   CG  CD   sing N N 338 
PRO   CG  HG2  sing N N 339 
PRO   CG  HG3  sing N N 340 
PRO   CD  HD2  sing N N 341 
PRO   CD  HD3  sing N N 342 
PRO   OXT HXT  sing N N 343 
SER   N   CA   sing N N 344 
SER   N   H    sing N N 345 
SER   N   H2   sing N N 346 
SER   CA  C    sing N N 347 
SER   CA  CB   sing N N 348 
SER   CA  HA   sing N N 349 
SER   C   O    doub N N 350 
SER   C   OXT  sing N N 351 
SER   CB  OG   sing N N 352 
SER   CB  HB2  sing N N 353 
SER   CB  HB3  sing N N 354 
SER   OG  HG   sing N N 355 
SER   OXT HXT  sing N N 356 
THR   N   CA   sing N N 357 
THR   N   H    sing N N 358 
THR   N   H2   sing N N 359 
THR   CA  C    sing N N 360 
THR   CA  CB   sing N N 361 
THR   CA  HA   sing N N 362 
THR   C   O    doub N N 363 
THR   C   OXT  sing N N 364 
THR   CB  OG1  sing N N 365 
THR   CB  CG2  sing N N 366 
THR   CB  HB   sing N N 367 
THR   OG1 HG1  sing N N 368 
THR   CG2 HG21 sing N N 369 
THR   CG2 HG22 sing N N 370 
THR   CG2 HG23 sing N N 371 
THR   OXT HXT  sing N N 372 
TRP   N   CA   sing N N 373 
TRP   N   H    sing N N 374 
TRP   N   H2   sing N N 375 
TRP   CA  C    sing N N 376 
TRP   CA  CB   sing N N 377 
TRP   CA  HA   sing N N 378 
TRP   C   O    doub N N 379 
TRP   C   OXT  sing N N 380 
TRP   CB  CG   sing N N 381 
TRP   CB  HB2  sing N N 382 
TRP   CB  HB3  sing N N 383 
TRP   CG  CD1  doub Y N 384 
TRP   CG  CD2  sing Y N 385 
TRP   CD1 NE1  sing Y N 386 
TRP   CD1 HD1  sing N N 387 
TRP   CD2 CE2  doub Y N 388 
TRP   CD2 CE3  sing Y N 389 
TRP   NE1 CE2  sing Y N 390 
TRP   NE1 HE1  sing N N 391 
TRP   CE2 CZ2  sing Y N 392 
TRP   CE3 CZ3  doub Y N 393 
TRP   CE3 HE3  sing N N 394 
TRP   CZ2 CH2  doub Y N 395 
TRP   CZ2 HZ2  sing N N 396 
TRP   CZ3 CH2  sing Y N 397 
TRP   CZ3 HZ3  sing N N 398 
TRP   CH2 HH2  sing N N 399 
TRP   OXT HXT  sing N N 400 
TYR   N   CA   sing N N 401 
TYR   N   H    sing N N 402 
TYR   N   H2   sing N N 403 
TYR   CA  C    sing N N 404 
TYR   CA  CB   sing N N 405 
TYR   CA  HA   sing N N 406 
TYR   C   O    doub N N 407 
TYR   C   OXT  sing N N 408 
TYR   CB  CG   sing N N 409 
TYR   CB  HB2  sing N N 410 
TYR   CB  HB3  sing N N 411 
TYR   CG  CD1  doub Y N 412 
TYR   CG  CD2  sing Y N 413 
TYR   CD1 CE1  sing Y N 414 
TYR   CD1 HD1  sing N N 415 
TYR   CD2 CE2  doub Y N 416 
TYR   CD2 HD2  sing N N 417 
TYR   CE1 CZ   doub Y N 418 
TYR   CE1 HE1  sing N N 419 
TYR   CE2 CZ   sing Y N 420 
TYR   CE2 HE2  sing N N 421 
TYR   CZ  OH   sing N N 422 
TYR   OH  HH   sing N N 423 
TYR   OXT HXT  sing N N 424 
VAL   N   CA   sing N N 425 
VAL   N   H    sing N N 426 
VAL   N   H2   sing N N 427 
VAL   CA  C    sing N N 428 
VAL   CA  CB   sing N N 429 
VAL   CA  HA   sing N N 430 
VAL   C   O    doub N N 431 
VAL   C   OXT  sing N N 432 
VAL   CB  CG1  sing N N 433 
VAL   CB  CG2  sing N N 434 
VAL   CB  HB   sing N N 435 
VAL   CG1 HG11 sing N N 436 
VAL   CG1 HG12 sing N N 437 
VAL   CG1 HG13 sing N N 438 
VAL   CG2 HG21 sing N N 439 
VAL   CG2 HG22 sing N N 440 
VAL   CG2 HG23 sing N N 441 
VAL   OXT HXT  sing N N 442 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_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   6czu 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8YMF 
_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]   0.024372 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_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]   0.019095 
_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]   0.017259 
_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  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
CL 17 17 11.460 0.010  7.196 1.166  6.255 18.519 1.645 47.778 -9.338  
H  1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N  7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O  8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S  16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.056   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
ATOM   1    N N    . SER   A 1 2   ? -27.159 16.474 -22.704 1.000 23.450 0 42  SER   A N    1 ? 
ATOM   2    C CA   . SER   A 1 2   ? -27.284 16.678 -21.262 1.000 16.344 0 42  SER   A CA   1 ? 
ATOM   3    C C    . SER   A 1 2   ? -26.056 17.403 -20.789 1.000 16.528 0 42  SER   A C    1 ? 
ATOM   4    O O    . SER   A 1 2   ? -25.274 17.850 -21.592 1.000 19.713 0 42  SER   A O    1 ? 
ATOM   5    C CB   . SER   A 1 2   ? -27.280 15.283 -20.602 1.000 19.450 0 42  SER   A CB   1 ? 
ATOM   6    O OG   . SER   A 1 2   ? -25.992 14.607 -20.626 1.000 20.476 0 42  SER   A OG   1 ? 
ATOM   7    H H    . SER   A 1 2   ? -27.176 15.579 -22.888 1.000 23.450 0 42  SER   A H    1 c 
ATOM   8    H HA   . SER   A 1 2   ? -28.096 17.218 -21.098 1.000 16.344 0 42  SER   A HA   1 c 
ATOM   9    H HB2  . SER   A 1 2   ? -27.543 15.370 -19.652 1.000 19.450 0 42  SER   A HB2  1 c 
ATOM   10   H HB3  . SER   A 1 2   ? -27.923 14.696 -21.073 1.000 19.450 0 42  SER   A HB3  1 c 
ATOM   11   H HG   . SER   A 1 2   ? -26.075 13.861 -20.250 0.000 20.476 0 42  SER   A HG   1 c 
ATOM   12   N N    . MET   A 1 3   ? -25.909 17.422 -19.461 1.000 19.213 0 43  MET   A N    1 ? 
ATOM   13   C CA   . MET   A 1 3   ? -24.743 18.097 -18.854 1.000 17.160 0 43  MET   A CA   1 ? 
ATOM   14   C C    . MET   A 1 3   ? -23.504 17.368 -19.280 1.000 13.765 0 43  MET   A C    1 ? 
ATOM   15   O O    . MET   A 1 3   ? -22.456 18.036 -19.253 1.000 15.528 0 43  MET   A O    1 ? 
ATOM   16   C CB   . MET   A 1 3   ? -24.842 18.105 -17.309 1.000 19.423 0 43  MET   A CB   1 ? 
ATOM   17   C CG   . MET   A 1 3   ? -25.885 18.887 -16.670 1.000 20.055 0 43  MET   A CG   1 ? 
ATOM   18   S SD   . MET   A 1 3   ? -25.804 18.528 -14.959 1.000 20.818 0 43  MET   A SD   1 ? 
ATOM   19   C CE   . MET   A 1 3   ? -27.359 19.280 -14.481 1.000 30.530 0 43  MET   A CE   1 ? 
ATOM   20   H H    . MET   A 1 3   ? -26.589 16.978 -18.860 1.000 19.213 0 43  MET   A H    1 c 
ATOM   21   H HA   . MET   A 1 3   ? -24.708 19.022 -19.190 1.000 17.160 0 43  MET   A HA   1 c 
ATOM   22   H HB2  . MET   A 1 3   ? -24.967 17.186 -16.999 1.000 19.423 0 43  MET   A HB2  1 c 
ATOM   23   H HB3  . MET   A 1 3   ? -23.997 18.435 -16.943 1.000 19.423 0 43  MET   A HB3  1 c 
ATOM   24   H HG2  . MET   A 1 3   ? -25.731 19.839 -16.851 1.000 20.055 0 43  MET   A HG2  1 c 
ATOM   25   H HG3  . MET   A 1 3   ? -26.754 18.641 -17.054 1.000 20.055 0 43  MET   A HG3  1 c 
ATOM   26   H HE1  . MET   A 1 3   ? -27.487 19.175 -13.535 1.000 30.530 0 43  MET   A HE1  1 c 
ATOM   27   H HE2  . MET   A 1 3   ? -27.343 20.214 -14.701 1.000 30.530 0 43  MET   A HE2  1 c 
ATOM   28   H HE3  . MET   A 1 3   ? -28.082 18.850 -14.954 1.000 30.530 0 43  MET   A HE3  1 c 
ATOM   29   N N    . ASN   A 1 4   ? -23.589 16.063 -19.621 1.000 14.660 0 44  ASN   A N    1 ? 
ATOM   30   C CA   . ASN   A 1 4   ? -22.373 15.277 -19.834 1.000 14.475 0 44  ASN   A CA   1 ? 
ATOM   31   C C    . ASN   A 1 4   ? -21.940 15.325 -21.301 1.000 14.318 0 44  ASN   A C    1 ? 
ATOM   32   O O    . ASN   A 1 4   ? -22.722 15.072 -22.178 1.000 14.396 0 44  ASN   A O    1 ? 
ATOM   33   C CB   . ASN   A 1 4   ? -22.588 13.772 -19.638 1.000 14.528 0 44  ASN   A CB   1 ? 
ATOM   34   C CG   . ASN   A 1 4   ? -22.956 13.568 -18.185 1.000 14.844 0 44  ASN   A CG   1 ? 
ATOM   35   O OD1  . ASN   A 1 4   ? -22.485 14.294 -17.290 1.000 20.397 0 44  ASN   A OD1  1 ? 
ATOM   36   N ND2  . ASN   A 1 4   ? -23.647 12.480 -17.932 1.000 15.423 0 44  ASN   A ND2  1 ? 
ATOM   37   H H    . ASN   A 1 4   ? -24.489 15.618 -19.732 1.000 14.660 0 44  ASN   A H    1 c 
ATOM   38   H HA   . ASN   A 1 4   ? -21.649 15.667 -19.290 1.000 14.475 0 44  ASN   A HA   1 c 
ATOM   39   H HB2  . ASN   A 1 4   ? -23.295 13.471 -20.244 1.000 14.528 0 44  ASN   A HB2  1 c 
ATOM   40   H HB3  . ASN   A 1 4   ? -21.765 13.300 -19.881 1.000 14.528 0 44  ASN   A HB3  1 c 
ATOM   41   H HD21 . ASN   A 1 4   ? -23.896 12.297 -17.104 1.000 15.423 0 44  ASN   A HD21 1 c 
ATOM   42   H HD22 . ASN   A 1 4   ? -23.863 11.930 -18.590 1.000 15.423 0 44  ASN   A HD22 1 c 
ATOM   43   N N    . PRO   A 1 5   ? -20.688 15.524 -21.609 1.000 14.475 0 45  PRO   A N    1 ? 
ATOM   44   C CA   . PRO   A 1 5   ? -20.219 15.350 -22.981 1.000 12.423 0 45  PRO   A CA   1 ? 
ATOM   45   C C    . PRO   A 1 5   ? -20.174 13.892 -23.386 1.000 12.317 0 45  PRO   A C    1 ? 
ATOM   46   O O    . PRO   A 1 5   ? -20.175 12.994 -22.552 1.000 12.659 0 45  PRO   A O    1 ? 
ATOM   47   C CB   . PRO   A 1 5   ? -18.791 15.873 -22.841 1.000 13.896 0 45  PRO   A CB   1 ? 
ATOM   48   C CG   . PRO   A 1 5   ? -18.438 15.723 -21.402 1.000 16.713 0 45  PRO   A CG   1 ? 
ATOM   49   C CD   . PRO   A 1 5   ? -19.659 15.862 -20.640 1.000 16.607 0 45  PRO   A CD   1 ? 
ATOM   50   H HA   . PRO   A 1 5   ? -20.814 15.848 -23.596 1.000 12.423 0 45  PRO   A HA   1 c 
ATOM   51   H HB2  . PRO   A 1 5   ? -18.172 15.359 -23.401 1.000 13.896 0 45  PRO   A HB2  1 c 
ATOM   52   H HB3  . PRO   A 1 5   ? -18.733 16.813 -23.112 1.000 13.896 0 45  PRO   A HB3  1 c 
ATOM   53   H HG2  . PRO   A 1 5   ? -18.037 14.845 -21.231 1.000 16.713 0 45  PRO   A HG2  1 c 
ATOM   54   H HG3  . PRO   A 1 5   ? -17.795 16.409 -21.127 1.000 16.713 0 45  PRO   A HG3  1 c 
ATOM   55   H HD2  . PRO   A 1 5   ? -19.663 15.253 -19.872 1.000 16.607 0 45  PRO   A HD2  1 c 
ATOM   56   H HD3  . PRO   A 1 5   ? -19.758 16.777 -20.302 1.000 16.607 0 45  PRO   A HD3  1 c 
ATOM   57   N N    . PRO   A 1 6   ? -19.989 13.595 -24.686 1.000 13.396 0 46  PRO   A N    1 ? 
ATOM   58   C CA   . PRO   A 1 6   ? -19.628 12.216 -25.083 1.000 15.160 0 46  PRO   A CA   1 ? 
ATOM   59   C C    . PRO   A 1 6   ? -18.273 11.885 -24.393 1.000 12.949 0 46  PRO   A C    1 ? 
ATOM   60   O O    . PRO   A 1 6   ? -17.493 12.757 -24.216 1.000 16.291 0 46  PRO   A O    1 ? 
ATOM   61   C CB   . PRO   A 1 6   ? -19.592 12.277 -26.613 1.000 18.397 0 46  PRO   A CB   1 ? 
ATOM   62   C CG   . PRO   A 1 6   ? -19.317 13.701 -26.922 1.000 20.871 0 46  PRO   A CG   1 ? 
ATOM   63   C CD   . PRO   A 1 6   ? -19.951 14.547 -25.820 1.000 16.897 0 46  PRO   A CD   1 ? 
ATOM   64   H HA   . PRO   A 1 6   ? -20.350 11.597 -24.809 1.000 15.160 0 46  PRO   A HA   1 c 
ATOM   65   H HB2  . PRO   A 1 6   ? -18.890 11.694 -26.972 1.000 18.397 0 46  PRO   A HB2  1 c 
ATOM   66   H HB3  . PRO   A 1 6   ? -20.447 11.990 -26.996 1.000 18.397 0 46  PRO   A HB3  1 c 
ATOM   67   H HG2  . PRO   A 1 6   ? -18.352 13.871 -26.955 1.000 20.871 0 46  PRO   A HG2  1 c 
ATOM   68   H HG3  . PRO   A 1 6   ? -19.699 13.950 -27.790 1.000 20.871 0 46  PRO   A HG3  1 c 
ATOM   69   H HD2  . PRO   A 1 6   ? -19.404 15.338 -25.629 1.000 16.897 0 46  PRO   A HD2  1 c 
ATOM   70   H HD3  . PRO   A 1 6   ? -20.844 14.852 -26.084 1.000 16.897 0 46  PRO   A HD3  1 c 
ATOM   71   N N    . PRO   A 1 7   ? -17.974 10.674 -23.994 1.000 16.502 0 47  PRO   A N    1 ? 
ATOM   72   C CA   . PRO   A 1 7   ? -16.706 10.353 -23.385 1.000 16.291 0 47  PRO   A CA   1 ? 
ATOM   73   C C    . PRO   A 1 7   ? -15.593 10.438 -24.394 1.000 18.555 0 47  PRO   A C    1 ? 
ATOM   74   O O    . PRO   A 1 7   ? -15.861 10.423 -25.594 1.000 19.897 0 47  PRO   A O    1 ? 
ATOM   75   C CB   . PRO   A 1 7   ? -16.880 8.878  -22.990 1.000 22.003 0 47  PRO   A CB   1 ? 
ATOM   76   C CG   . PRO   A 1 7   ? -17.855 8.348  -24.058 1.000 25.029 0 47  PRO   A CG   1 ? 
ATOM   77   C CD   . PRO   A 1 7   ? -18.769 9.521  -24.291 1.000 22.003 0 47  PRO   A CD   1 ? 
ATOM   78   H HA   . PRO   A 1 7   ? -16.537 10.975 -22.633 1.000 16.291 0 47  PRO   A HA   1 c 
ATOM   79   H HB2  . PRO   A 1 7   ? -16.022 8.405  -23.009 1.000 22.003 0 47  PRO   A HB2  1 c 
ATOM   80   H HB3  . PRO   A 1 7   ? -17.247 8.797  -22.085 1.000 22.003 0 47  PRO   A HB3  1 c 
ATOM   81   H HG2  . PRO   A 1 7   ? -17.374 8.089  -24.872 1.000 25.029 0 47  PRO   A HG2  1 c 
ATOM   82   H HG3  . PRO   A 1 7   ? -18.340 7.563  -23.729 1.000 25.029 0 47  PRO   A HG3  1 c 
ATOM   83   H HD2  . PRO   A 1 7   ? -19.083 9.540  -25.219 1.000 22.003 0 47  PRO   A HD2  1 c 
ATOM   84   H HD3  . PRO   A 1 7   ? -19.554 9.474  -23.706 1.000 22.003 0 47  PRO   A HD3  1 c 
ATOM   85   N N    . PRO   A 1 8   ? -14.360 10.692 -23.905 1.000 17.871 0 48  PRO   A N    1 ? 
ATOM   86   C CA   . PRO   A 1 8   ? -13.251 10.768 -24.856 1.000 18.028 0 48  PRO   A CA   1 ? 
ATOM   87   C C    . PRO   A 1 8   ? -13.151 9.468  -25.681 1.000 16.976 0 48  PRO   A C    1 ? 
ATOM   88   O O    . PRO   A 1 8   ? -13.461 8.386  -25.235 1.000 18.581 0 48  PRO   A O    1 ? 
ATOM   89   C CB   . PRO   A 1 8   ? -12.073 10.943 -23.898 1.000 19.265 0 48  PRO   A CB   1 ? 
ATOM   90   C CG   . PRO   A 1 8   ? -12.644 11.436 -22.609 1.000 18.976 0 48  PRO   A CG   1 ? 
ATOM   91   C CD   . PRO   A 1 8   ? -13.948 10.717 -22.473 1.000 17.318 0 48  PRO   A CD   1 ? 
ATOM   92   H HA   . PRO   A 1 8   ? -13.385 11.546 -25.453 1.000 18.028 0 48  PRO   A HA   1 c 
ATOM   93   H HB2  . PRO   A 1 8   ? -11.605 10.094 -23.758 1.000 19.265 0 48  PRO   A HB2  1 c 
ATOM   94   H HB3  . PRO   A 1 8   ? -11.426 11.589 -24.251 1.000 19.265 0 48  PRO   A HB3  1 c 
ATOM   95   H HG2  . PRO   A 1 8   ? -12.046 11.230 -21.861 1.000 18.976 0 48  PRO   A HG2  1 c 
ATOM   96   H HG3  . PRO   A 1 8   ? -12.775 12.407 -22.634 1.000 18.976 0 48  PRO   A HG3  1 c 
ATOM   97   H HD2  . PRO   A 1 8   ? -13.817 9.827  -22.084 1.000 17.318 0 48  PRO   A HD2  1 c 
ATOM   98   H HD3  . PRO   A 1 8   ? -14.562 11.214 -21.894 1.000 17.318 0 48  PRO   A HD3  1 c 
ATOM   99   N N    . GLU   A 1 9   ? -12.709 9.576  -26.896 1.000 17.107 0 49  GLU   A N    1 ? 
ATOM   100  C CA   . GLU   A 1 9   ? -12.383 8.418  -27.735 1.000 15.739 0 49  GLU   A CA   1 ? 
ATOM   101  C C    . GLU   A 1 9   ? -11.428 7.469  -27.009 1.000 13.949 0 49  GLU   A C    1 ? 
ATOM   102  O O    . GLU   A 1 9   ? -10.496 8.004  -26.367 1.000 14.844 0 49  GLU   A O    1 ? 
ATOM   103  C CB   . GLU   A 1 9   ? -11.725 8.927  -29.001 1.000 19.687 0 49  GLU   A CB   1 ? 
ATOM   104  C CG   . GLU   A 1 9   ? -12.605 9.762  -29.864 1.000 22.450 0 49  GLU   A CG   1 ? 
ATOM   105  C CD   . GLU   A 1 9   ? -13.774 9.027  -30.456 1.000 33.267 0 49  GLU   A CD   1 ? 
ATOM   106  O OE1  . GLU   A 1 9   ? -13.563 7.909  -30.913 1.000 34.452 0 49  GLU   A OE1  1 ? 
ATOM   107  O OE2  . GLU   A 1 9   ? -14.883 9.570  -30.446 1.000 47.269 0 49  GLU   A OE2  1 ? 
ATOM   108  H H    . GLU   A 1 9   ? -12.588 10.506 -27.271 1.000 17.107 0 49  GLU   A H    1 c 
ATOM   109  H HA   . GLU   A 1 9   ? -13.215 7.926  -27.926 1.000 15.739 0 49  GLU   A HA   1 c 
ATOM   110  H HB2  . GLU   A 1 9   ? -10.942 9.461  -28.752 1.000 19.687 0 49  GLU   A HB2  1 c 
ATOM   111  H HB3  . GLU   A 1 9   ? -11.421 8.157  -29.525 1.000 19.687 0 49  GLU   A HB3  1 c 
ATOM   112  H HG2  . GLU   A 1 9   ? -12.946 10.515 -29.336 1.000 22.450 0 49  GLU   A HG2  1 c 
ATOM   113  H HG3  . GLU   A 1 9   ? -12.070 10.136 -30.596 1.000 22.450 0 49  GLU   A HG3  1 c 
ATOM   114  N N    . THR   A 1 10  ? -11.563 6.142  -27.154 1.000 14.028 0 50  THR   A N    1 ? 
ATOM   115  C CA   . THR   A 1 10  ? -10.718 5.136  -26.429 1.000 13.212 0 50  THR   A CA   1 ? 
ATOM   116  C C    . THR   A 1 10  ? -10.052 4.186  -27.401 1.000 13.449 0 50  THR   A C    1 ? 
ATOM   117  O O    . THR   A 1 10  ? -9.175  3.446  -26.992 1.000 15.554 0 50  THR   A O    1 ? 
ATOM   118  C CB   . THR   A 1 10  ? -11.430 4.383  -25.329 1.000 15.423 0 50  THR   A CB   1 ? 
ATOM   119  O OG1  . THR   A 1 10  ? -12.584 3.765  -25.925 1.000 19.739 0 50  THR   A OG1  1 ? 
ATOM   120  C CG2  . THR   A 1 10  ? -11.807 5.309  -24.229 1.000 15.423 0 50  THR   A CG2  1 ? 
ATOM   121  H H    . THR   A 1 10  ? -12.278 5.818  -27.790 1.000 14.028 0 50  THR   A H    1 c 
ATOM   122  H HA   . THR   A 1 10  ? -10.006 5.625  -25.947 1.000 13.212 0 50  THR   A HA   1 c 
ATOM   123  H HB   . THR   A 1 10  ? -10.821 3.682  -24.989 1.000 15.423 0 50  THR   A HB   1 c 
ATOM   124  H HG1  . THR   A 1 10  ? -13.007 3.336  -25.341 0.000 19.739 0 50  THR   A HG1  1 c 
ATOM   125  H HG21 . THR   A 1 10  ? -10.993 5.729  -23.856 1.000 15.423 0 50  THR   A HG21 1 c 
ATOM   126  H HG22 . THR   A 1 10  ? -12.271 4.805  -23.516 1.000 15.423 0 50  THR   A HG22 1 c 
ATOM   127  H HG23 . THR   A 1 10  ? -12.408 6.012  -24.579 1.000 15.423 0 50  THR   A HG23 1 c 
ATOM   128  N N    . SER   A 1 11  ? -10.376 4.249  -28.650 1.000 14.739 0 51  SER   A N    1 ? 
ATOM   129  C CA   . SER   A 1 11  ? -9.689  3.346  -29.595 1.000 15.449 0 51  SER   A CA   1 ? 
ATOM   130  C C    . SER   A 1 11  ? -9.429  4.196  -30.822 1.000 12.870 0 51  SER   A C    1 ? 
ATOM   131  O O    . SER   A 1 11  ? -10.126 5.202  -31.116 1.000 17.397 0 51  SER   A O    1 ? 
ATOM   132  C CB   . SER   A 1 11  ? -10.396 2.026  -29.842 1.000 18.160 0 51  SER   A CB   1 ? 
ATOM   133  O OG   . SER   A 1 11  ? -11.616 2.337  -30.370 1.000 24.371 0 51  SER   A OG   1 ? 
ATOM   134  H H    . SER   A 1 11  ? -11.076 4.888  -29.000 1.000 14.739 0 51  SER   A H    1 c 
ATOM   135  H HA   . SER   A 1 11  ? -8.836  3.062  -29.182 1.000 15.449 0 51  SER   A HA   1 c 
ATOM   136  H HB2  . SER   A 1 11  ? -9.858  1.478  -30.465 1.000 18.160 0 51  SER   A HB2  1 c 
ATOM   137  H HB3  . SER   A 1 11  ? -10.482 1.536  -28.987 1.000 18.160 0 51  SER   A HB3  1 c 
ATOM   138  H HG   . SER   A 1 11  ? -12.032 1.624  -30.518 0.000 24.371 0 51  SER   A HG   1 c 
ATOM   139  N N    . ASN   A 1 12  ? -8.426  3.840  -31.571 1.000 13.054 0 52  ASN   A N    1 ? 
ATOM   140  C CA   . ASN   A 1 12  ? -8.007  4.474  -32.784 1.000 12.607 0 52  ASN   A CA   1 ? 
ATOM   141  C C    . ASN   A 1 12  ? -7.856  3.440  -33.950 1.000 13.238 0 52  ASN   A C    1 ? 
ATOM   142  O O    . ASN   A 1 12  ? -6.837  2.761  -34.080 1.000 15.370 0 52  ASN   A O    1 ? 
ATOM   143  C CB   . ASN   A 1 12  ? -6.679  5.260  -32.668 1.000 14.660 0 52  ASN   A CB   1 ? 
ATOM   144  C CG   . ASN   A 1 12  ? -6.285  5.950  -33.951 1.000 14.265 0 52  ASN   A CG   1 ? 
ATOM   145  O OD1  . ASN   A 1 12  ? -6.863  5.624  -35.017 1.000 16.028 0 52  ASN   A OD1  1 ? 
ATOM   146  N ND2  . ASN   A 1 12  ? -5.399  6.959  -33.937 1.000 15.054 0 52  ASN   A ND2  1 ? 
ATOM   147  H H    . ASN   A 1 12  ? -7.916  3.036  -31.234 1.000 13.054 0 52  ASN   A H    1 c 
ATOM   148  H HA   . ASN   A 1 12  ? -8.696  5.127  -33.049 1.000 12.607 0 52  ASN   A HA   1 c 
ATOM   149  H HB2  . ASN   A 1 12  ? -6.768  5.930  -31.960 1.000 14.660 0 52  ASN   A HB2  1 c 
ATOM   150  H HB3  . ASN   A 1 12  ? -5.966  4.642  -32.407 1.000 14.660 0 52  ASN   A HB3  1 c 
ATOM   151  H HD21 . ASN   A 1 12  ? -5.172  7.359  -34.692 1.000 15.054 0 52  ASN   A HD21 1 c 
ATOM   152  H HD22 . ASN   A 1 12  ? -5.042  7.224  -33.173 1.000 15.054 0 52  ASN   A HD22 1 c 
ATOM   153  N N    . PRO   A 1 13  ? -8.864  3.260  -34.777 1.000 15.133 0 53  PRO   A N    1 ? 
ATOM   154  C CA   . PRO   A 1 13  ? -8.900  2.141  -35.707 1.000 15.502 0 53  PRO   A CA   1 ? 
ATOM   155  C C    . PRO   A 1 13  ? -7.978  2.330  -36.876 1.000 12.133 0 53  PRO   A C    1 ? 
ATOM   156  O O    . PRO   A 1 13  ? -7.879  1.363  -37.654 1.000 17.213 0 53  PRO   A O    1 ? 
ATOM   157  C CB   . PRO   A 1 13  ? -10.360 1.909  -35.983 1.000 22.424 0 53  PRO   A CB   1 ? 
ATOM   158  C CG   . PRO   A 1 13  ? -10.909 3.278  -35.909 1.000 19.713 0 53  PRO   A CG   1 ? 
ATOM   159  C CD   . PRO   A 1 13  ? -10.148 3.980  -34.780 1.000 17.581 0 53  PRO   A CD   1 ? 
ATOM   160  H HA   . PRO   A 1 13  ? -8.656  1.310  -35.228 1.000 15.502 0 53  PRO   A HA   1 c 
ATOM   161  H HB2  . PRO   A 1 13  ? -10.491 1.501  -36.864 1.000 22.424 0 53  PRO   A HB2  1 c 
ATOM   162  H HB3  . PRO   A 1 13  ? -10.754 1.311  -35.313 1.000 22.424 0 53  PRO   A HB3  1 c 
ATOM   163  H HG2  . PRO   A 1 13  ? -10.780 3.752  -36.757 1.000 19.713 0 53  PRO   A HG2  1 c 
ATOM   164  H HG3  . PRO   A 1 13  ? -11.869 3.259  -35.715 1.000 19.713 0 53  PRO   A HG3  1 c 
ATOM   165  H HD2  . PRO   A 1 13  ? -10.041 4.935  -34.972 1.000 17.581 0 53  PRO   A HD2  1 c 
ATOM   166  H HD3  . PRO   A 1 13  ? -10.627 3.894  -33.930 1.000 17.581 0 53  PRO   A HD3  1 c 
ATOM   167  N N    . ASN   A 1 14  ? -7.282  3.428  -36.924 1.000 14.318 0 54  ASN   A N    1 ? 
ATOM   168  C CA   . ASN   A 1 14  ? -6.479  3.537  -38.062 1.000 14.818 0 54  ASN   A CA   1 ? 
ATOM   169  C C    . ASN   A 1 14  ? -4.967  3.758  -37.780 1.000 13.870 0 54  ASN   A C    1 ? 
ATOM   170  O O    . ASN   A 1 14  ? -4.289  4.208  -38.694 1.000 15.765 0 54  ASN   A O    1 ? 
ATOM   171  C CB   . ASN   A 1 14  ? -7.062  4.686  -38.871 1.000 19.397 0 54  ASN   A CB   1 ? 
ATOM   172  C CG   . ASN   A 1 14  ? -7.135  5.909  -37.976 1.000 24.371 0 54  ASN   A CG   1 ? 
ATOM   173  O OD1  . ASN   A 1 14  ? -6.109  6.303  -37.409 1.000 60.902 0 54  ASN   A OD1  1 ? 
ATOM   174  N ND2  . ASN   A 1 14  ? -8.327  6.488  -37.796 1.000 47.664 0 54  ASN   A ND2  1 ? 
ATOM   175  H H    . ASN   A 1 14  ? -7.273  4.173  -36.242 1.000 14.318 0 54  ASN   A H    1 c 
ATOM   176  H HA   . ASN   A 1 14  ? -6.541  2.694  -38.570 1.000 14.818 0 54  ASN   A HA   1 c 
ATOM   177  H HB2  . ASN   A 1 14  ? -6.492  4.846  -39.651 1.000 19.397 0 54  ASN   A HB2  1 c 
ATOM   178  H HB3  . ASN   A 1 14  ? -7.948  4.427  -39.197 1.000 19.397 0 54  ASN   A HB3  1 c 
ATOM   179  H HD21 . ASN   A 1 14  ? -8.398  7.202  -37.280 1.000 47.664 0 54  ASN   A HD21 1 c 
ATOM   180  H HD22 . ASN   A 1 14  ? -9.044  6.157  -38.193 1.000 47.664 0 54  ASN   A HD22 1 c 
ATOM   181  N N    . LYS   A 1 15  ? -4.400  3.351  -36.624 1.000 12.133 0 55  LYS   A N    1 ? 
ATOM   182  C CA   . LYS   A 1 15  ? -3.034  3.447  -36.118 1.000 12.317 0 55  LYS   A CA   1 ? 
ATOM   183  C C    . LYS   A 1 15  ? -2.422  2.060  -36.028 1.000 12.370 0 55  LYS   A C    1 ? 
ATOM   184  O O    . LYS   A 1 15  ? -3.096  1.082  -35.655 1.000 15.423 0 55  LYS   A O    1 ? 
ATOM   185  C CB   . LYS   A 1 15  ? -3.039  4.202  -34.794 1.000 14.212 0 55  LYS   A CB   1 ? 
ATOM   186  C CG   . LYS   A 1 15  ? -1.961  4.069  -33.791 1.000 12.923 0 55  LYS   A CG   1 ? 
ATOM   187  C CD   . LYS   A 1 15  ? -2.357  4.511  -32.408 1.000 14.975 0 55  LYS   A CD   1 ? 
ATOM   188  C CE   . LYS   A 1 15  ? -1.106  4.417  -31.643 1.000 13.502 0 55  LYS   A CE   1 ? 
ATOM   189  N NZ   . LYS   A 1 15  ? -0.801  2.992  -31.401 1.000 12.528 0 55  LYS   A NZ   1 ? 
ATOM   190  H H    . LYS   A 1 15  ? -5.106  2.908  -36.054 1.000 12.133 0 55  LYS   A H    1 c 
ATOM   191  H HA   . LYS   A 1 15  ? -2.503  3.984  -36.751 1.000 12.317 0 55  LYS   A HA   1 c 
ATOM   192  H HB2  . LYS   A 1 15  ? -3.082  5.163  -34.983 1.000 14.212 0 55  LYS   A HB2  1 c 
ATOM   193  H HB3  . LYS   A 1 15  ? -3.858  3.972  -34.307 1.000 14.212 0 55  LYS   A HB3  1 c 
ATOM   194  H HG2  . LYS   A 1 15  ? -1.686  3.128  -33.750 1.000 12.923 0 55  LYS   A HG2  1 c 
ATOM   195  H HG3  . LYS   A 1 15  ? -1.194  4.607  -34.082 1.000 12.923 0 55  LYS   A HG3  1 c 
ATOM   196  H HD2  . LYS   A 1 15  ? -2.721  5.421  -32.455 1.000 14.975 0 55  LYS   A HD2  1 c 
ATOM   197  H HD3  . LYS   A 1 15  ? -3.066  3.921  -32.074 1.000 14.975 0 55  LYS   A HD3  1 c 
ATOM   198  H HE2  . LYS   A 1 15  ? -0.384  4.840  -32.144 1.000 13.502 0 55  LYS   A HE2  1 c 
ATOM   199  H HE3  . LYS   A 1 15  ? -1.203  4.894  -30.797 1.000 13.502 0 55  LYS   A HE3  1 c 
ATOM   200  H HZ1  . LYS   A 1 15  ? -1.477  2.609  -30.933 1.000 12.528 0 55  LYS   A HZ1  1 c 
ATOM   201  H HZ2  . LYS   A 1 15  ? -0.029  2.919  -30.931 1.000 12.528 0 55  LYS   A HZ2  1 c 
ATOM   202  H HZ3  . LYS   A 1 15  ? -0.707  2.559  -32.193 1.000 12.528 0 55  LYS   A HZ3  1 c 
ATOM   203  N N    . PRO   A 1 16  ? -1.120  1.885  -36.212 1.000 12.712 0 56  PRO   A N    1 ? 
ATOM   204  C CA   . PRO   A 1 16  ? -0.478  0.628  -35.961 1.000 14.160 0 56  PRO   A CA   1 ? 
ATOM   205  C C    . PRO   A 1 16  ? -0.498  0.319  -34.489 1.000 12.107 0 56  PRO   A C    1 ? 
ATOM   206  O O    . PRO   A 1 16  ? -0.455  1.243  -33.667 1.000 13.212 0 56  PRO   A O    1 ? 
ATOM   207  C CB   . PRO   A 1 16  ? 0.967   0.846  -36.411 1.000 14.107 0 56  PRO   A CB   1 ? 
ATOM   208  C CG   . PRO   A 1 16  ? 1.163   2.299  -36.287 1.000 14.712 0 56  PRO   A CG   1 ? 
ATOM   209  C CD   . PRO   A 1 16  ? -0.177  2.911  -36.663 1.000 13.660 0 56  PRO   A CD   1 ? 
ATOM   210  H HA   . PRO   A 1 16  ? -0.939  -0.083 -36.473 1.000 14.160 0 56  PRO   A HA   1 c 
ATOM   211  H HB2  . PRO   A 1 16  ? 1.591   0.350  -35.841 1.000 14.107 0 56  PRO   A HB2  1 c 
ATOM   212  H HB3  . PRO   A 1 16  ? 1.097   0.544  -37.334 1.000 14.107 0 56  PRO   A HB3  1 c 
ATOM   213  H HG2  . PRO   A 1 16  ? 1.415   2.540  -35.371 1.000 14.712 0 56  PRO   A HG2  1 c 
ATOM   214  H HG3  . PRO   A 1 16  ? 1.872   2.608  -36.889 1.000 14.712 0 56  PRO   A HG3  1 c 
ATOM   215  H HD2  . PRO   A 1 16  ? -0.310  3.768  -36.207 1.000 13.660 0 56  PRO   A HD2  1 c 
ATOM   216  H HD3  . PRO   A 1 16  ? -0.230  3.070  -37.629 1.000 13.660 0 56  PRO   A HD3  1 c 
ATOM   217  N N    . LYS   A 1 17  ? -0.425  -0.947 -34.176 1.000 12.212 0 57  LYS   A N    1 ? 
ATOM   218  C CA   . LYS   A 1 17  ? -0.158  -1.414 -32.819 1.000 11.791 0 57  LYS   A CA   1 ? 
ATOM   219  C C    . LYS   A 1 17  ? 1.334   -1.368 -32.566 1.000 12.001 0 57  LYS   A C    1 ? 
ATOM   220  O O    . LYS   A 1 17  ? 2.122   -1.983 -33.275 1.000 15.028 0 57  LYS   A O    1 ? 
ATOM   221  C CB   . LYS   A 1 17  ? -0.668  -2.837 -32.597 1.000 13.502 0 57  LYS   A CB   1 ? 
ATOM   222  C CG   . LYS   A 1 17  ? -2.167  -2.946 -32.794 1.000 12.659 0 57  LYS   A CG   1 ? 
ATOM   223  C CD   . LYS   A 1 17  ? -2.930  -2.164 -31.804 1.000 12.659 0 57  LYS   A CD   1 ? 
ATOM   224  C CE   . LYS   A 1 17  ? -4.415  -2.334 -31.989 1.000 14.081 0 57  LYS   A CE   1 ? 
ATOM   225  N NZ   . LYS   A 1 17  ? -5.240  -1.412 -31.267 1.000 15.949 0 57  LYS   A NZ   1 ? 
ATOM   226  H H    . LYS   A 1 17  ? -0.561  -1.625 -34.912 1.000 12.212 0 57  LYS   A H    1 c 
ATOM   227  H HA   . LYS   A 1 17  ? -0.608  -0.808 -32.186 1.000 11.791 0 57  LYS   A HA   1 c 
ATOM   228  H HB2  . LYS   A 1 17  ? -0.200  -3.436 -33.215 1.000 13.502 0 57  LYS   A HB2  1 c 
ATOM   229  H HB3  . LYS   A 1 17  ? -0.423  -3.118 -31.691 1.000 13.502 0 57  LYS   A HB3  1 c 
ATOM   230  H HG2  . LYS   A 1 17  ? -2.388  -2.627 -33.695 1.000 12.659 0 57  LYS   A HG2  1 c 
ATOM   231  H HG3  . LYS   A 1 17  ? -2.424  -3.890 -32.725 1.000 12.659 0 57  LYS   A HG3  1 c 
ATOM   232  H HD2  . LYS   A 1 17  ? -2.675  -2.453 -30.902 1.000 12.659 0 57  LYS   A HD2  1 c 
ATOM   233  H HD3  . LYS   A 1 17  ? -2.693  -1.216 -31.893 1.000 12.659 0 57  LYS   A HD3  1 c 
ATOM   234  H HE2  . LYS   A 1 17  ? -4.640  -2.237 -32.934 1.000 14.081 0 57  LYS   A HE2  1 c 
ATOM   235  H HE3  . LYS   A 1 17  ? -4.679  -3.231 -31.709 1.000 14.081 0 57  LYS   A HE3  1 c 
ATOM   236  H HZ1  . LYS   A 1 17  ? -5.084  -1.493 -30.377 1.000 15.949 0 57  LYS   A HZ1  1 c 
ATOM   237  H HZ2  . LYS   A 1 17  ? -6.114  -1.584 -31.438 1.000 15.949 0 57  LYS   A HZ2  1 c 
ATOM   238  H HZ3  . LYS   A 1 17  ? -5.050  -0.563 -31.525 1.000 15.949 0 57  LYS   A HZ3  1 c 
ATOM   239  N N    . ARG   A 1 18  ? 1.691   -0.579 -31.560 1.000 10.738 0 58  ARG   A N    1 ? 
ATOM   240  C CA   . ARG   A 1 18  ? 3.113   -0.409 -31.244 1.000 11.475 0 58  ARG   A CA   1 ? 
ATOM   241  C C    . ARG   A 1 18  ? 3.253   -0.187 -29.746 1.000 10.370 0 58  ARG   A C    1 ? 
ATOM   242  O O    . ARG   A 1 18  ? 2.644   0.766  -29.217 1.000 10.870 0 58  ARG   A O    1 ? 
ATOM   243  C CB   . ARG   A 1 18  ? 3.687   0.817  -31.958 1.000 12.291 0 58  ARG   A CB   1 ? 
ATOM   244  C CG   . ARG   A 1 18  ? 3.892   0.598  -33.447 1.000 18.292 0 58  ARG   A CG   1 ? 
ATOM   245  C CD   . ARG   A 1 18  ? 4.746   1.677  -34.078 1.000 23.819 0 58  ARG   A CD   1 ? 
ATOM   246  N NE   . ARG   A 1 18  ? 4.831   1.368  -35.493 1.000 27.003 0 58  ARG   A NE   1 ? 
ATOM   247  C CZ   . ARG   A 1 18  ? 4.867   2.287  -36.441 1.000 29.793 0 58  ARG   A CZ   1 ? 
ATOM   248  N NH1  . ARG   A 1 18  ? 4.871   1.926  -37.710 1.000 30.188 0 58  ARG   A NH1  1 ? 
ATOM   249  N NH2  . ARG   A 1 18  ? 4.890   3.564  -36.107 1.000 50.901 0 58  ARG   A NH2  1 ? 
ATOM   250  H H    . ARG   A 1 18  ? 1.002   -0.092 -31.006 1.000 10.738 0 58  ARG   A H    1 c 
ATOM   251  H HA   . ARG   A 1 18  ? 3.591   -1.237 -31.495 1.000 11.475 0 58  ARG   A HA   1 c 
ATOM   252  H HB2  . ARG   A 1 18  ? 3.070   1.578  -31.821 1.000 12.291 0 58  ARG   A HB2  1 c 
ATOM   253  H HB3  . ARG   A 1 18  ? 4.553   1.048  -31.539 1.000 12.291 0 58  ARG   A HB3  1 c 
ATOM   254  H HG2  . ARG   A 1 18  ? 4.325   -0.279 -33.591 1.000 18.292 0 58  ARG   A HG2  1 c 
ATOM   255  H HG3  . ARG   A 1 18  ? 3.012   0.580  -33.898 1.000 18.292 0 58  ARG   A HG3  1 c 
ATOM   256  H HD2  . ARG   A 1 18  ? 4.329   2.559  -33.915 1.000 23.819 0 58  ARG   A HD2  1 c 
ATOM   257  H HD3  . ARG   A 1 18  ? 5.635   1.683  -33.645 1.000 23.819 0 58  ARG   A HD3  1 c 
ATOM   258  H HE   . ARG   A 1 18  ? 4.861   0.502  -35.733 1.000 27.003 0 58  ARG   A HE   1 c 
ATOM   259  H HH11 . ARG   A 1 18  ? 4.849   1.054  -37.927 1.000 30.188 0 58  ARG   A HH11 1 c 
ATOM   260  H HH12 . ARG   A 1 18  ? 4.896   2.553  -38.354 1.000 30.188 0 58  ARG   A HH12 1 c 
ATOM   261  H HH21 . ARG   A 1 18  ? 4.881   3.800  -35.240 1.000 50.901 0 58  ARG   A HH21 1 c 
ATOM   262  H HH22 . ARG   A 1 18  ? 4.915   4.194  -36.748 1.000 50.901 0 58  ARG   A HH22 1 c 
ATOM   263  N N    . GLN   A 1 19  ? 3.930   -1.106 -29.100 1.000 12.001 0 59  GLN   A N    1 ? 
ATOM   264  C CA   . GLN   A 1 19  ? 4.301   -0.913 -27.684 1.000 12.501 0 59  GLN   A CA   1 ? 
ATOM   265  C C    . GLN   A 1 19  ? 5.607   -0.198 -27.544 1.000 11.922 0 59  GLN   A C    1 ? 
ATOM   266  O O    . GLN   A 1 19  ? 6.424   -0.203 -28.447 1.000 12.501 0 59  GLN   A O    1 ? 
ATOM   267  C CB   . GLN   A 1 19  ? 4.364   -2.248 -26.909 1.000 12.686 0 59  GLN   A CB   1 ? 
ATOM   268  C CG   . GLN   A 1 19  ? 3.038   -2.849 -26.754 1.000 14.133 0 59  GLN   A CG   1 ? 
ATOM   269  C CD   . GLN   A 1 19  ? 2.092   -2.136 -25.835 1.000 14.502 0 59  GLN   A CD   1 ? 
ATOM   270  O OE1  . GLN   A 1 19  ? 0.869   -2.306 -26.016 1.000 21.792 0 59  GLN   A OE1  1 ? 
ATOM   271  N NE2  . GLN   A 1 19  ? 2.599   -1.255 -24.949 1.000 13.186 0 59  GLN   A NE2  1 ? 
ATOM   272  H H    . GLN   A 1 19  ? 4.204   -1.957 -29.569 1.000 12.001 0 59  GLN   A H    1 c 
ATOM   273  H HA   . GLN   A 1 19  ? 3.610   -0.358 -27.253 1.000 12.502 0 59  GLN   A HA   1 c 
ATOM   274  H HB2  . GLN   A 1 19  ? 4.956   -2.861 -27.392 1.000 12.686 0 59  GLN   A HB2  1 c 
ATOM   275  H HB3  . GLN   A 1 19  ? 4.761   -2.079 -26.029 1.000 12.686 0 59  GLN   A HB3  1 c 
ATOM   276  H HG2  . GLN   A 1 19  ? 2.602   -2.900 -27.631 1.000 14.133 0 59  GLN   A HG2  1 c 
ATOM   277  H HG3  . GLN   A 1 19  ? 3.136   -3.763 -26.412 1.000 14.133 0 59  GLN   A HG3  1 c 
ATOM   278  H HE21 . GLN   A 1 19  ? 2.060   -0.823 -24.397 1.000 13.186 0 59  GLN   A HE21 1 c 
ATOM   279  H HE22 . GLN   A 1 19  ? 3.470   -1.109 -24.920 1.000 13.186 0 59  GLN   A HE22 1 c 
ATOM   280  N N    . THR   A 1 20  ? 5.791   0.397  -26.379 1.000 11.396 0 60  THR   A N    1 ? 
ATOM   281  C CA   . THR   A 1 20  ? 7.105   0.856  -25.922 1.000 11.659 0 60  THR   A CA   1 ? 
ATOM   282  C C    . THR   A 1 20  ? 7.228   0.352  -24.506 1.000 10.922 0 60  THR   A C    1 ? 
ATOM   283  O O    . THR   A 1 20  ? 6.236   0.066  -23.804 1.000 10.607 0 60  THR   A O    1 ? 
ATOM   284  C CB   . THR   A 1 20  ? 7.257   2.384  -26.009 1.000 12.449 0 60  THR   A CB   1 ? 
ATOM   285  O OG1  . THR   A 1 20  ? 6.399   2.976  -25.025 1.000 12.186 0 60  THR   A OG1  1 ? 
ATOM   286  C CG2  . THR   A 1 20  ? 6.990   2.910  -27.398 1.000 16.581 0 60  THR   A CG2  1 ? 
ATOM   287  H H    . THR   A 1 20  ? 4.986   0.537  -25.785 1.000 11.396 0 60  THR   A H    1 c 
ATOM   288  H HA   . THR   A 1 20  ? 7.792   0.440  -26.499 1.000 11.659 0 60  THR   A HA   1 c 
ATOM   289  H HB   . THR   A 1 20  ? 8.181   2.619  -25.747 1.000 12.449 0 60  THR   A HB   1 c 
ATOM   290  H HG1  . THR   A 1 20  ? 6.468   3.812  -25.057 0.000 12.186 0 60  THR   A HG1  1 c 
ATOM   291  H HG21 . THR   A 1 20  ? 7.629   2.504  -28.034 1.000 16.581 0 60  THR   A HG21 1 c 
ATOM   292  H HG22 . THR   A 1 20  ? 7.100   3.893  -27.407 1.000 16.581 0 60  THR   A HG22 1 c 
ATOM   293  H HG23 . THR   A 1 20  ? 6.067   2.680  -27.667 1.000 16.581 0 60  THR   A HG23 1 c 
ATOM   294  N N    A ASN   A 1 21  ? 8.421   0.167  -24.069 0.500 11.107 0 61  ASN   A N    1 ? 
ATOM   295  N N    B ASN   A 1 21  ? 8.468   0.417  -23.963 0.500 12.317 0 61  ASN   A N    1 ? 
ATOM   296  C CA   A ASN   A 1 21  ? 8.502   -0.269 -22.677 0.500 11.238 0 61  ASN   A CA   1 ? 
ATOM   297  C CA   B ASN   A 1 21  ? 8.798   0.061  -22.550 0.500 11.633 0 61  ASN   A CA   1 ? 
ATOM   298  C C    A ASN   A 1 21  ? 7.903   0.800  -21.709 0.500 10.659 0 61  ASN   A C    1 ? 
ATOM   299  C C    B ASN   A 1 21  ? 7.951   0.879  -21.623 0.500 10.580 0 61  ASN   A C    1 ? 
ATOM   300  O O    A ASN   A 1 21  ? 7.387   0.404  -20.687 0.500 10.396 0 61  ASN   A O    1 ? 
ATOM   301  O O    B ASN   A 1 21  ? 7.384   0.406  -20.669 0.500 10.475 0 61  ASN   A O    1 ? 
ATOM   302  C CB   A ASN   A 1 21  ? 9.936   -0.684 -22.407 0.500 9.949  0 61  ASN   A CB   1 ? 
ATOM   303  C CB   B ASN   A 1 21  ? 10.236  0.304  -22.095 0.500 11.422 0 61  ASN   A CB   1 ? 
ATOM   304  C CG   A ASN   A 1 21  ? 10.887  0.499  -22.385 0.500 11.107 0 61  ASN   A CG   1 ? 
ATOM   305  C CG   B ASN   A 1 21  ? 11.100  -0.732 -22.753 0.500 13.133 0 61  ASN   A CG   1 ? 
ATOM   306  O OD1  A ASN   A 1 21  ? 10.855  1.401  -23.240 0.500 17.318 0 61  ASN   A OD1  1 ? 
ATOM   307  O OD1  B ASN   A 1 21  ? 10.821  -1.937 -22.706 0.500 14.949 0 61  ASN   A OD1  1 ? 
ATOM   308  N ND2  A ASN   A 1 21  ? 11.761  0.503  -21.402 0.500 12.317 0 61  ASN   A ND2  1 ? 
ATOM   309  N ND2  B ASN   A 1 21  ? 12.233  -0.294 -23.171 0.500 14.423 0 61  ASN   A ND2  1 ? 
ATOM   310  H H    A ASN   A 1 21  ? 9.273   0.295  -24.595 0.500 11.107 0 61  ASN   A H    1 c 
ATOM   311  H H    B ASN   A 1 21  ? 9.206   0.731  -24.577 0.500 12.317 0 61  ASN   A H    1 c 
ATOM   312  H HA   A ASN   A 1 21  ? 7.974   -1.096 -22.577 0.500 11.238 0 61  ASN   A HA   1 c 
ATOM   313  H HA   B ASN   A 1 21  ? 8.591   -0.893 -22.411 0.500 11.633 0 61  ASN   A HA   1 c 
ATOM   314  H HB2  A ASN   A 1 21  ? 9.975   -1.148 -21.546 0.500 9.949  0 61  ASN   A HB2  1 c 
ATOM   315  H HB2  B ASN   A 1 21  ? 10.500  1.212  -22.348 0.500 11.422 0 61  ASN   A HB2  1 c 
ATOM   316  H HB3  A ASN   A 1 21  ? 10.219  -1.315 -23.100 0.500 9.949  0 61  ASN   A HB3  1 c 
ATOM   317  H HB3  B ASN   A 1 21  ? 10.274  0.243  -21.119 0.500 11.422 0 61  ASN   A HB3  1 c 
ATOM   318  H HD21 A ASN   A 1 21  ? 12.344  1.164  -21.331 0.500 12.317 0 61  ASN   A HD21 1 c 
ATOM   319  H HD21 B ASN   A 1 21  ? 12.799  -0.843 -23.570 0.500 14.423 0 61  ASN   A HD21 1 c 
ATOM   320  H HD22 A ASN   A 1 21  ? 11.766  -0.155 -20.812 0.500 12.317 0 61  ASN   A HD22 1 c 
ATOM   321  H HD22 B ASN   A 1 21  ? 12.447  0.557  -23.060 0.500 14.423 0 61  ASN   A HD22 1 c 
ATOM   322  N N    . GLN   A 1 22  ? 7.927   2.115  -22.018 1.000 10.896 0 62  GLN   A N    1 ? 
ATOM   323  C CA   . GLN   A 1 22  ? 7.247   3.102  -21.160 1.000 10.396 0 62  GLN   A CA   1 ? 
ATOM   324  C C    . GLN   A 1 22  ? 5.737   2.906  -21.230 1.000 8.922  0 62  GLN   A C    1 ? 
ATOM   325  O O    . GLN   A 1 22  ? 5.102   3.009  -20.174 1.000 9.054  0 62  GLN   A O    1 ? 
ATOM   326  C CB   . GLN   A 1 22  ? 7.621   4.496  -21.585 1.000 11.659 0 62  GLN   A CB   1 ? 
ATOM   327  C CG   . GLN   A 1 22  ? 9.087   4.781  -21.339 1.000 14.949 0 62  GLN   A CG   1 ? 
ATOM   328  C CD   . GLN   A 1 22  ? 9.418   6.209  -21.631 1.000 16.976 0 62  GLN   A CD   1 ? 
ATOM   329  O OE1  . GLN   A 1 22  ? 8.746   6.844  -22.448 1.000 19.397 0 62  GLN   A OE1  1 ? 
ATOM   330  N NE2  . GLN   A 1 22  ? 10.477  6.699  -21.015 1.000 18.765 0 62  GLN   A NE2  1 ? 
ATOM   331  H H    . GLN   A 1 22  ? 8.352   2.423  -22.881 1.000 10.896 0 62  GLN   A H    1 c 
ATOM   332  H HA   . GLN   A 1 22  ? 7.536   2.959  -20.229 1.000 10.396 0 62  GLN   A HA   1 c 
ATOM   333  H HB2  . GLN   A 1 22  ? 7.413   4.598  -22.537 1.000 11.659 0 62  GLN   A HB2  1 c 
ATOM   334  H HB3  . GLN   A 1 22  ? 7.066   5.133  -21.088 1.000 11.659 0 62  GLN   A HB3  1 c 
ATOM   335  H HG2  . GLN   A 1 22  ? 9.303   4.578  -20.404 1.000 14.949 0 62  GLN   A HG2  1 c 
ATOM   336  H HG3  . GLN   A 1 22  ? 9.630   4.195  -21.908 1.000 14.949 0 62  GLN   A HG3  1 c 
ATOM   337  H HE21 . GLN   A 1 22  ? 10.719  7.538  -21.151 1.000 18.765 0 62  GLN   A HE21 1 c 
ATOM   338  H HE22 . GLN   A 1 22  ? 10.945  6.188  -20.466 1.000 18.765 0 62  GLN   A HE22 1 c 
ATOM   339  N N    . LEU   A 1 23  ? 5.149   2.665  -22.393 1.000 8.685  0 63  LEU   A N    1 ? 
ATOM   340  C CA   . LEU   A 1 23  ? 3.712   2.396  -22.434 1.000 8.396  0 63  LEU   A CA   1 ? 
ATOM   341  C C    . LEU   A 1 23  ? 3.359   1.108  -21.678 1.000 8.054  0 63  LEU   A C    1 ? 
ATOM   342  O O    . LEU   A 1 23  ? 2.307   1.036  -21.011 1.000 8.001  0 63  LEU   A O    1 ? 
ATOM   343  C CB   . LEU   A 1 23  ? 3.205   2.343  -23.863 1.000 9.264  0 63  LEU   A CB   1 ? 
ATOM   344  C CG   . LEU   A 1 23  ? 3.000   3.703  -24.522 1.000 10.422 0 63  LEU   A CG   1 ? 
ATOM   345  C CD1  . LEU   A 1 23  ? 2.809   3.505  -26.021 1.000 11.949 0 63  LEU   A CD1  1 ? 
ATOM   346  C CD2  . LEU   A 1 23  ? 1.830   4.440  -23.942 1.000 10.843 0 63  LEU   A CD2  1 ? 
ATOM   347  H H    . LEU   A 1 23  ? 5.675   2.663  -23.255 1.000 8.685  0 63  LEU   A H    1 c 
ATOM   348  H HA   . LEU   A 1 23  ? 3.242   3.141  -21.993 1.000 8.396  0 63  LEU   A HA   1 c 
ATOM   349  H HB2  . LEU   A 1 23  ? 3.842   1.828  -24.397 1.000 9.264  0 63  LEU   A HB2  1 c 
ATOM   350  H HB3  . LEU   A 1 23  ? 2.355   1.859  -23.870 1.000 9.264  0 63  LEU   A HB3  1 c 
ATOM   351  H HG   . LEU   A 1 23  ? 3.807   4.249  -24.355 1.000 10.422 0 63  LEU   A HG   1 c 
ATOM   352  H HD11 . LEU   A 1 23  ? 3.598   3.074  -26.395 1.000 11.949 0 63  LEU   A HD11 1 c 
ATOM   353  H HD12 . LEU   A 1 23  ? 2.677   4.369  -26.448 1.000 11.949 0 63  LEU   A HD12 1 c 
ATOM   354  H HD13 . LEU   A 1 23  ? 2.030   2.944  -26.178 1.000 11.949 0 63  LEU   A HD13 1 c 
ATOM   355  H HD21 . LEU   A 1 23  ? 1.020   3.916  -24.070 1.000 10.843 0 63  LEU   A HD21 1 c 
ATOM   356  H HD22 . LEU   A 1 23  ? 1.735   5.300  -24.388 1.000 10.843 0 63  LEU   A HD22 1 c 
ATOM   357  H HD23 . LEU   A 1 23  ? 1.976   4.583  -22.991 1.000 10.843 0 63  LEU   A HD23 1 c 
ATOM   358  N N    . GLN   A 1 24  ? 4.215   0.084  -21.763 1.000 8.317  0 64  GLN   A N    1 ? 
ATOM   359  C CA   . GLN   A 1 24  ? 3.969   -1.149 -21.013 1.000 7.817  0 64  GLN   A CA   1 ? 
ATOM   360  C C    . GLN   A 1 24  ? 3.962   -0.824 -19.533 1.000 7.501  0 64  GLN   A C    1 ? 
ATOM   361  O O    . GLN   A 1 24  ? 3.143   -1.345 -18.767 1.000 8.133  0 64  GLN   A O    1 ? 
ATOM   362  C CB   . GLN   A 1 24  ? 5.072   -2.161 -21.333 1.000 8.764  0 64  GLN   A CB   1 ? 
ATOM   363  C CG   . GLN   A 1 24  ? 4.965   -2.758 -22.747 1.000 9.001  0 64  GLN   A CG   1 ? 
ATOM   364  C CD   . GLN   A 1 24  ? 3.944   -3.841 -22.865 1.000 9.133  0 64  GLN   A CD   1 ? 
ATOM   365  O OE1  . GLN   A 1 24  ? 2.993   -3.925 -22.096 1.000 10.080 0 64  GLN   A OE1  1 ? 
ATOM   366  N NE2  . GLN   A 1 24  ? 4.103   -4.657 -23.881 1.000 10.659 0 64  GLN   A NE2  1 ? 
ATOM   367  H H    . GLN   A 1 24  ? 5.038   0.151  -22.344 1.000 8.317  0 64  GLN   A H    1 c 
ATOM   368  H HA   . GLN   A 1 24  ? 3.085   -1.500 -21.270 1.000 7.817  0 64  GLN   A HA   1 c 
ATOM   369  H HB2  . GLN   A 1 24  ? 5.940   -1.717 -21.236 1.000 8.764  0 64  GLN   A HB2  1 c 
ATOM   370  H HB3  . GLN   A 1 24  ? 5.031   -2.885 -20.674 1.000 8.764  0 64  GLN   A HB3  1 c 
ATOM   371  H HG2  . GLN   A 1 24  ? 4.734   -2.046 -23.381 1.000 9.001  0 64  GLN   A HG2  1 c 
ATOM   372  H HG3  . GLN   A 1 24  ? 5.836   -3.126 -23.009 1.000 9.001  0 64  GLN   A HG3  1 c 
ATOM   373  H HE21 . GLN   A 1 24  ? 3.533   -5.321 -24.009 1.000 10.659 0 64  GLN   A HE21 1 c 
ATOM   374  H HE22 . GLN   A 1 24  ? 4.780   -4.543 -24.438 1.000 10.659 0 64  GLN   A HE22 1 c 
ATOM   375  N N    . TYR   A 1 25  ? 4.931   -0.035 -19.082 1.000 7.738  0 65  TYR   A N    1 ? 
ATOM   376  C CA   . TYR   A 1 25  ? 5.017   0.354  -17.678 1.000 7.843  0 65  TYR   A CA   1 ? 
ATOM   377  C C    . TYR   A 1 25  ? 3.792   1.163  -17.255 1.000 7.659  0 65  TYR   A C    1 ? 
ATOM   378  O O    . TYR   A 1 25  ? 3.239   0.957  -16.164 1.000 7.685  0 65  TYR   A O    1 ? 
ATOM   379  C CB   . TYR   A 1 25  ? 6.301   1.176  -17.501 1.000 8.448  0 65  TYR   A CB   1 ? 
ATOM   380  C CG   . TYR   A 1 25  ? 6.559   1.624  -16.084 1.000 8.159  0 65  TYR   A CG   1 ? 
ATOM   381  C CD1  . TYR   A 1 25  ? 6.167   2.861  -15.670 1.000 8.212  0 65  TYR   A CD1  1 ? 
ATOM   382  C CD2  . TYR   A 1 25  ? 7.282   0.851  -15.226 1.000 9.791  0 65  TYR   A CD2  1 ? 
ATOM   383  C CE1  . TYR   A 1 25  ? 6.452   3.326  -14.404 1.000 8.843  0 65  TYR   A CE1  1 ? 
ATOM   384  C CE2  . TYR   A 1 25  ? 7.579   1.272  -13.942 1.000 10.343 0 65  TYR   A CE2  1 ? 
ATOM   385  C CZ   . TYR   A 1 25  ? 7.150   2.518  -13.522 1.000 9.475  0 65  TYR   A CZ   1 ? 
ATOM   386  O OH   . TYR   A 1 25  ? 7.458   2.948  -12.262 1.000 11.080 0 65  TYR   A OH   1 ? 
ATOM   387  H H    . TYR   A 1 25  ? 5.627   0.304  -19.731 1.000 7.738  0 65  TYR   A H    1 c 
ATOM   388  H HA   . TYR   A 1 25  ? 5.041   -0.467 -17.123 1.000 7.843  0 65  TYR   A HA   1 c 
ATOM   389  H HB2  . TYR   A 1 25  ? 7.059   0.637  -17.811 1.000 8.448  0 65  TYR   A HB2  1 c 
ATOM   390  H HB3  . TYR   A 1 25  ? 6.247   1.963  -18.082 1.000 8.448  0 65  TYR   A HB3  1 c 
ATOM   391  H HD1  . TYR   A 1 25  ? 5.732   3.435  -16.279 1.000 8.212  0 65  TYR   A HD1  1 c 
ATOM   392  H HD2  . TYR   A 1 25  ? 7.587   0.007  -15.516 1.000 9.791  0 65  TYR   A HD2  1 c 
ATOM   393  H HE1  . TYR   A 1 25  ? 6.170   4.186  -14.140 1.000 8.843  0 65  TYR   A HE1  1 c 
ATOM   394  H HE2  . TYR   A 1 25  ? 8.055   0.713  -13.350 1.000 10.343 0 65  TYR   A HE2  1 c 
ATOM   395  H HH   . TYR   A 1 25  ? 7.159   3.743  -12.142 0.000 11.080 0 65  TYR   A HH   1 c 
ATOM   396  N N    . LEU   A 1 26  ? 3.348   2.076  -18.117 1.000 7.396  0 66  LEU   A N    1 ? 
ATOM   397  C CA   . LEU   A 1 26  ? 2.161   2.885  -17.791 1.000 8.027  0 66  LEU   A CA   1 ? 
ATOM   398  C C    . LEU   A 1 26  ? 0.946   2.023  -17.569 1.000 7.106  0 66  LEU   A C    1 ? 
ATOM   399  O O    . LEU   A 1 26  ? 0.132   2.360  -16.716 1.000 8.317  0 66  LEU   A O    1 ? 
ATOM   400  C CB   . LEU   A 1 26  ? 1.935   3.967  -18.835 1.000 8.159  0 66  LEU   A CB   1 ? 
ATOM   401  C CG   . LEU   A 1 26  ? 2.832   5.155  -18.679 1.000 10.396 0 66  LEU   A CG   1 ? 
ATOM   402  C CD1  . LEU   A 1 26  ? 2.942   5.932  -19.940 1.000 12.712 0 66  LEU   A CD1  1 ? 
ATOM   403  C CD2  . LEU   A 1 26  ? 2.452   6.043  -17.527 1.000 14.475 0 66  LEU   A CD2  1 ? 
ATOM   404  H H    . LEU   A 1 26  ? 3.817   2.223  -18.999 1.000 7.396  0 66  LEU   A H    1 c 
ATOM   405  H HA   . LEU   A 1 26  ? 2.337   3.375  -16.955 1.000 8.027  0 66  LEU   A HA   1 c 
ATOM   406  H HB2  . LEU   A 1 26  ? 2.070   3.574  -19.720 1.000 8.159  0 66  LEU   A HB2  1 c 
ATOM   407  H HB3  . LEU   A 1 26  ? 1.002   4.257  -18.781 1.000 8.159  0 66  LEU   A HB3  1 c 
ATOM   408  H HG   . LEU   A 1 26  ? 3.747   4.826  -18.498 1.000 10.396 0 66  LEU   A HG   1 c 
ATOM   409  H HD11 . LEU   A 1 26  ? 3.306   5.364  -20.641 1.000 12.712 0 66  LEU   A HD11 1 c 
ATOM   410  H HD12 . LEU   A 1 26  ? 3.530   6.695  -19.801 1.000 12.712 0 66  LEU   A HD12 1 c 
ATOM   411  H HD13 . LEU   A 1 26  ? 2.061   6.248  -20.205 1.000 12.712 0 66  LEU   A HD13 1 c 
ATOM   412  H HD21 . LEU   A 1 26  ? 1.547   6.375  -17.658 1.000 14.475 0 66  LEU   A HD21 1 c 
ATOM   413  H HD22 . LEU   A 1 26  ? 3.070   6.793  -17.478 1.000 14.475 0 66  LEU   A HD22 1 c 
ATOM   414  H HD23 . LEU   A 1 26  ? 2.493   5.535  -16.698 1.000 14.475 0 66  LEU   A HD23 1 c 
ATOM   415  N N    . LEU   A 1 27  ? 0.751   0.958  -18.334 1.000 7.159  0 67  LEU   A N    1 ? 
ATOM   416  C CA   . LEU   A 1 27  ? -0.391  0.093  -18.123 1.000 7.369  0 67  LEU   A CA   1 ? 
ATOM   417  C C    . LEU   A 1 27  ? -0.171  -0.856 -16.932 1.000 7.764  0 67  LEU   A C    1 ? 
ATOM   418  O O    . LEU   A 1 27  ? -0.968  -0.933 -16.008 1.000 8.396  0 67  LEU   A O    1 ? 
ATOM   419  C CB   . LEU   A 1 27  ? -0.730  -0.699 -19.379 1.000 8.185  0 67  LEU   A CB   1 ? 
ATOM   420  C CG   . LEU   A 1 27  ? -1.904  -1.668 -19.229 1.000 10.238 0 67  LEU   A CG   1 ? 
ATOM   421  C CD1  . LEU   A 1 27  ? -3.183  -1.020 -18.666 1.000 10.185 0 67  LEU   A CD1  1 ? 
ATOM   422  C CD2  . LEU   A 1 27  ? -2.195  -2.336 -20.563 1.000 13.186 0 67  LEU   A CD2  1 ? 
ATOM   423  H H    . LEU   A 1 27  ? 1.403   0.741  -19.075 1.000 7.159  0 67  LEU   A H    1 c 
ATOM   424  H HA   . LEU   A 1 27  ? -1.174  0.654  -17.918 1.000 7.369  0 67  LEU   A HA   1 c 
ATOM   425  H HB2  . LEU   A 1 27  ? -0.933  -0.066 -20.096 1.000 8.185  0 67  LEU   A HB2  1 c 
ATOM   426  H HB3  . LEU   A 1 27  ? 0.063   -1.204 -19.648 1.000 8.185  0 67  LEU   A HB3  1 c 
ATOM   427  H HG   . LEU   A 1 27  ? -1.644  -2.366 -18.578 1.000 10.238 0 67  LEU   A HG   1 c 
ATOM   428  H HD11 . LEU   A 1 27  ? -2.999  -0.652 -17.784 1.000 10.185 0 67  LEU   A HD11 1 c 
ATOM   429  H HD12 . LEU   A 1 27  ? -3.884  -1.691 -18.599 1.000 10.185 0 67  LEU   A HD12 1 c 
ATOM   430  H HD13 . LEU   A 1 27  ? -3.474  -0.306 -19.260 1.000 10.185 0 67  LEU   A HD13 1 c 
ATOM   431  H HD21 . LEU   A 1 27  ? -2.420  -1.658 -21.223 1.000 13.186 0 67  LEU   A HD21 1 c 
ATOM   432  H HD22 . LEU   A 1 27  ? -2.942  -2.952 -20.462 1.000 13.186 0 67  LEU   A HD22 1 c 
ATOM   433  H HD23 . LEU   A 1 27  ? -1.409  -2.827 -20.858 1.000 13.186 0 67  LEU   A HD23 1 c 
ATOM   434  N N    . ARG   A 1 28  ? 0.936   -1.600 -16.979 1.000 7.685  0 68  ARG   A N    1 ? 
ATOM   435  C CA   . ARG   A 1 28  ? 1.096   -2.766 -16.108 1.000 8.159  0 68  ARG   A CA   1 ? 
ATOM   436  C C    . ARG   A 1 28  ? 1.563   -2.379 -14.714 1.000 8.791  0 68  ARG   A C    1 ? 
ATOM   437  O O    . ARG   A 1 28  ? 1.319   -3.144 -13.779 1.000 10.870 0 68  ARG   A O    1 ? 
ATOM   438  C CB   . ARG   A 1 28  ? 2.081   -3.751 -16.754 1.000 8.133  0 68  ARG   A CB   1 ? 
ATOM   439  C CG   . ARG   A 1 28  ? 1.611   -4.291 -18.095 1.000 8.396  0 68  ARG   A CG   1 ? 
ATOM   440  C CD   . ARG   A 1 28  ? 2.638   -5.157 -18.763 1.000 9.027  0 68  ARG   A CD   1 ? 
ATOM   441  N NE   . ARG   A 1 28  ? 2.242   -5.671 -20.145 1.000 11.633 0 68  ARG   A NE   1 ? 
ATOM   442  C CZ   . ARG   A 1 28  ? 1.620   -6.858 -20.336 1.000 11.107 0 68  ARG   A CZ   1 ? 
ATOM   443  N NH1  . ARG   A 1 28  ? 1.304   -7.639 -19.261 1.000 9.501  0 68  ARG   A NH1  1 ? 
ATOM   444  N NH2  . ARG   A 1 28  ? 1.279   -7.229 -21.564 1.000 12.844 0 68  ARG   A NH2  1 ? 
ATOM   445  H H    . ARG   A 1 28  ? 1.677   -1.360 -17.622 1.000 7.685  0 68  ARG   A H    1 c 
ATOM   446  H HA   . ARG   A 1 28  ? 0.217   -3.210 -16.014 1.000 8.159  0 68  ARG   A HA   1 c 
ATOM   447  H HB2  . ARG   A 1 28  ? 2.949   -3.293 -16.877 1.000 8.133  0 68  ARG   A HB2  1 c 
ATOM   448  H HB3  . ARG   A 1 28  ? 2.222   -4.508 -16.133 1.000 8.133  0 68  ARG   A HB3  1 c 
ATOM   449  H HG2  . ARG   A 1 28  ? 0.786   -4.820 -17.963 1.000 8.396  0 68  ARG   A HG2  1 c 
ATOM   450  H HG3  . ARG   A 1 28  ? 1.395   -3.534 -18.694 1.000 8.396  0 68  ARG   A HG3  1 c 
ATOM   451  H HD2  . ARG   A 1 28  ? 3.481   -4.648 -18.858 1.000 9.027  0 68  ARG   A HD2  1 c 
ATOM   452  H HD3  . ARG   A 1 28  ? 2.825   -5.941 -18.189 1.000 9.027  0 68  ARG   A HD3  1 c 
ATOM   453  H HE   . ARG   A 1 28  ? 2.435   -5.156 -20.856 1.000 11.633 0 68  ARG   A HE   1 c 
ATOM   454  H HH11 . ARG   A 1 28  ? 1.510   -7.362 -18.431 1.000 9.501  0 68  ARG   A HH11 1 c 
ATOM   455  H HH12 . ARG   A 1 28  ? 0.891   -8.428 -19.387 1.000 9.501  0 68  ARG   A HH12 1 c 
ATOM   456  H HH21 . ARG   A 1 28  ? 1.462   -6.692 -22.261 1.000 12.844 0 68  ARG   A HH21 1 c 
ATOM   457  H HH22 . ARG   A 1 28  ? 0.866   -8.017 -21.695 1.000 12.844 0 68  ARG   A HH22 1 c 
ATOM   458  N N    . VAL   A 1 29  ? 2.211   -1.248 -14.573 1.000 8.554  0 69  VAL   A N    1 ? 
ATOM   459  C CA   . VAL   A 1 29  ? 2.675   -0.738 -13.283 1.000 8.975  0 69  VAL   A CA   1 ? 
ATOM   460  C C    . VAL   A 1 29  ? 1.765   0.444  -12.868 1.000 9.159  0 69  VAL   A C    1 ? 
ATOM   461  O O    . VAL   A 1 29  ? 1.142   0.399  -11.826 1.000 10.159 0 69  VAL   A O    1 ? 
ATOM   462  C CB   . VAL   A 1 29  ? 4.162   -0.362 -13.266 1.000 8.659  0 69  VAL   A CB   1 ? 
ATOM   463  C CG1  . VAL   A 1 29  ? 4.537   0.249  -11.936 1.000 10.028 0 69  VAL   A CG1  1 ? 
ATOM   464  C CG2  . VAL   A 1 29  ? 4.991   -1.620 -13.559 1.000 9.975  0 69  VAL   A CG2  1 ? 
ATOM   465  H H    . VAL   A 1 29  ? 2.392   -0.711 -15.409 1.000 8.554  0 69  VAL   A H    1 c 
ATOM   466  H HA   . VAL   A 1 29  ? 2.586   -1.448 -12.622 1.000 8.975  0 69  VAL   A HA   1 c 
ATOM   467  H HB   . VAL   A 1 29  ? 4.307   0.295  -13.991 1.000 8.659  0 69  VAL   A HB   1 c 
ATOM   468  H HG11 . VAL   A 1 29  ? 4.006   1.050  -11.785 1.000 10.028 0 69  VAL   A HG11 1 c 
ATOM   469  H HG12 . VAL   A 1 29  ? 5.482   0.482  -11.940 1.000 10.028 0 69  VAL   A HG12 1 c 
ATOM   470  H HG13 . VAL   A 1 29  ? 4.365   -0.391 -11.224 1.000 10.028 0 69  VAL   A HG13 1 c 
ATOM   471  H HG21 . VAL   A 1 29  ? 4.812   -2.293 -12.879 1.000 9.975  0 69  VAL   A HG21 1 c 
ATOM   472  H HG22 . VAL   A 1 29  ? 5.937   -1.394 -13.552 1.000 9.975  0 69  VAL   A HG22 1 c 
ATOM   473  H HG23 . VAL   A 1 29  ? 4.749   -1.972 -14.433 1.000 9.975  0 69  VAL   A HG23 1 c 
ATOM   474  N N    . VAL   A 1 30  ? 1.747   1.520  -13.638 1.000 8.633  0 70  VAL   A N    1 ? 
ATOM   475  C CA   . VAL   A 1 30  ? 1.122   2.784  -13.144 1.000 8.054  0 70  VAL   A CA   1 ? 
ATOM   476  C C    . VAL   A 1 30  ? -0.395  2.607  -13.047 1.000 8.501  0 70  VAL   A C    1 ? 
ATOM   477  O O    . VAL   A 1 30  ? -0.989  2.767  -11.968 1.000 8.896  0 70  VAL   A O    1 ? 
ATOM   478  C CB   . VAL   A 1 30  ? 1.537   3.980  -14.006 1.000 8.369  0 70  VAL   A CB   1 ? 
ATOM   479  C CG1  . VAL   A 1 30  ? 0.902   5.251  -13.450 1.000 9.475  0 70  VAL   A CG1  1 ? 
ATOM   480  C CG2  . VAL   A 1 30  ? 3.041   4.097  -14.056 1.000 9.527  0 70  VAL   A CG2  1 ? 
ATOM   481  H H    . VAL   A 1 30  ? 2.153   1.500  -14.563 1.000 8.633  0 70  VAL   A H    1 c 
ATOM   482  H HA   . VAL   A 1 30  ? 1.463   2.967  -12.250 1.000 8.054  0 70  VAL   A HA   1 c 
ATOM   483  H HB   . VAL   A 1 30  ? 1.210   3.808  -14.923 1.000 8.369  0 70  VAL   A HB   1 c 
ATOM   484  H HG11 . VAL   A 1 30  ? -0.067  5.162  -13.462 1.000 9.475  0 70  VAL   A HG11 1 c 
ATOM   485  H HG12 . VAL   A 1 30  ? 1.165   6.012  -13.997 1.000 9.475  0 70  VAL   A HG12 1 c 
ATOM   486  H HG13 . VAL   A 1 30  ? 1.202   5.391  -12.535 1.000 9.475  0 70  VAL   A HG13 1 c 
ATOM   487  H HG21 . VAL   A 1 30  ? 3.387   4.221  -13.155 1.000 9.527  0 70  VAL   A HG21 1 c 
ATOM   488  H HG22 . VAL   A 1 30  ? 3.289   4.860  -14.607 1.000 9.527  0 70  VAL   A HG22 1 c 
ATOM   489  H HG23 . VAL   A 1 30  ? 3.417   3.286  -14.439 1.000 9.527  0 70  VAL   A HG23 1 c 
ATOM   490  N N    . LEU   A 1 31  ? -1.054  2.361  -14.184 1.000 8.001  0 71  LEU   A N    1 ? 
ATOM   491  C CA   . LEU   A 1 31  ? -2.496  2.288  -14.169 1.000 8.475  0 71  LEU   A CA   1 ? 
ATOM   492  C C    . LEU   A 1 31  ? -2.942  1.160  -13.243 1.000 8.659  0 71  LEU   A C    1 ? 
ATOM   493  O O    . LEU   A 1 31  ? -3.860  1.358  -12.427 1.000 9.712  0 71  LEU   A O    1 ? 
ATOM   494  C CB   . LEU   A 1 31  ? -3.007  2.107  -15.594 1.000 8.843  0 71  LEU   A CB   1 ? 
ATOM   495  C CG   . LEU   A 1 31  ? -4.542  2.050  -15.790 1.000 10.212 0 71  LEU   A CG   1 ? 
ATOM   496  C CD1  . LEU   A 1 31  ? -5.171  0.737  -15.457 1.000 10.607 0 71  LEU   A CD1  1 ? 
ATOM   497  C CD2  . LEU   A 1 31  ? -5.295  3.219  -15.199 1.000 10.317 0 71  LEU   A CD2  1 ? 
ATOM   498  H H    . LEU   A 1 31  ? -0.563  2.225  -15.056 1.000 8.001  0 71  LEU   A H    1 c 
ATOM   499  H HA   . LEU   A 1 31  ? -2.848  3.139  -13.821 1.000 8.475  0 71  LEU   A HA   1 c 
ATOM   500  H HB2  . LEU   A 1 31  ? -2.666  2.844  -16.139 1.000 8.843  0 71  LEU   A HB2  1 c 
ATOM   501  H HB3  . LEU   A 1 31  ? -2.632  1.278  -15.952 1.000 8.843  0 71  LEU   A HB3  1 c 
ATOM   502  H HG   . LEU   A 1 31  ? -4.728  2.063  -16.761 1.000 10.212 0 71  LEU   A HG   1 c 
ATOM   503  H HD11 . LEU   A 1 31  ? -4.791  0.042  -16.022 1.000 10.607 0 71  LEU   A HD11 1 c 
ATOM   504  H HD12 . LEU   A 1 31  ? -6.131  0.790  -15.607 1.000 10.607 0 71  LEU   A HD12 1 c 
ATOM   505  H HD13 . LEU   A 1 31  ? -5.001  0.523  -14.523 1.000 10.607 0 71  LEU   A HD13 1 c 
ATOM   506  H HD21 . LEU   A 1 31  ? -5.134  3.258  -14.240 1.000 10.317 0 71  LEU   A HD21 1 c 
ATOM   507  H HD22 . LEU   A 1 31  ? -6.247  3.109  -15.365 1.000 10.317 0 71  LEU   A HD22 1 c 
ATOM   508  H HD23 . LEU   A 1 31  ? -4.988  4.045  -15.612 1.000 10.317 0 71  LEU   A HD23 1 c 
ATOM   509  N N    . LYS   A 1 32  ? -2.343  0.004  -13.335 1.000 9.291  0 72  LYS   A N    1 ? 
ATOM   510  C CA   . LYS   A 1 32  ? -2.833  -1.116 -12.512 1.000 11.422 0 72  LYS   A CA   1 ? 
ATOM   511  C C    . LYS   A 1 32  ? -2.681  -0.789 -11.020 1.000 10.738 0 72  LYS   A C    1 ? 
ATOM   512  O O    . LYS   A 1 32  ? -3.553  -1.192 -10.226 1.000 11.580 0 72  LYS   A O    1 ? 
ATOM   513  C CB   . LYS   A 1 32  ? -2.221  -2.422 -12.948 1.000 15.186 0 72  LYS   A CB   1 ? 
ATOM   514  C CG   . LYS   A 1 32  ? -2.890  -2.916 -14.263 1.000 19.187 0 72  LYS   A CG   1 ? 
ATOM   515  C CD   . LYS   A 1 32  ? -2.584  -4.319 -14.685 1.000 22.950 0 72  LYS   A CD   1 ? 
ATOM   516  C CE   . LYS   A 1 32  ? -2.968  -4.618 -16.124 1.000 25.845 0 72  LYS   A CE   1 ? 
ATOM   517  N NZ   . LYS   A 1 32  ? -1.775  -5.038 -16.903 1.000 30.477 0 72  LYS   A NZ   1 ? 
ATOM   518  H H    . LYS   A 1 32  ? -1.557  -0.145 -13.951 1.000 9.291  0 72  LYS   A H    1 c 
ATOM   519  H HA   . LYS   A 1 32  ? -3.790  -1.249 -12.703 1.000 11.422 0 72  LYS   A HA   1 c 
ATOM   520  H HB2  . LYS   A 1 32  ? -1.257  -2.290 -13.066 1.000 15.186 0 72  LYS   A HB2  1 c 
ATOM   521  H HB3  . LYS   A 1 32  ? -2.331  -3.075 -12.225 1.000 15.186 0 72  LYS   A HB3  1 c 
ATOM   522  H HG2  . LYS   A 1 32  ? -3.864  -2.851 -14.162 1.000 19.187 0 72  LYS   A HG2  1 c 
ATOM   523  H HG3  . LYS   A 1 32  ? -2.611  -2.327 -14.996 1.000 19.187 0 72  LYS   A HG3  1 c 
ATOM   524  H HD2  . LYS   A 1 32  ? -1.623  -4.483 -14.576 1.000 22.950 0 72  LYS   A HD2  1 c 
ATOM   525  H HD3  . LYS   A 1 32  ? -3.063  -4.942 -14.097 1.000 22.950 0 72  LYS   A HD3  1 c 
ATOM   526  H HE2  . LYS   A 1 32  ? -3.639  -5.327 -16.143 1.000 25.845 0 72  LYS   A HE2  1 c 
ATOM   527  H HE3  . LYS   A 1 32  ? -3.361  -3.822 -16.530 1.000 25.845 0 72  LYS   A HE3  1 c 
ATOM   528  H HZ1  . LYS   A 1 32  ? -1.155  -4.376 -16.895 1.000 30.477 0 72  LYS   A HZ1  1 c 
ATOM   529  H HZ2  . LYS   A 1 32  ? -2.015  -5.217 -17.759 1.000 30.477 0 72  LYS   A HZ2  1 c 
ATOM   530  H HZ3  . LYS   A 1 32  ? -1.415  -5.785 -16.535 1.000 30.477 0 72  LYS   A HZ3  1 c 
ATOM   531  N N    . THR   A 1 33  ? -1.610  -0.158 -10.607 1.000 9.843  0 73  THR   A N    1 ? 
ATOM   532  C CA   . THR   A 1 33  ? -1.449  0.193  -9.183  1.000 10.791 0 73  THR   A CA   1 ? 
ATOM   533  C C    . THR   A 1 33  ? -2.498  1.208  -8.760  1.000 8.948  0 73  THR   A C    1 ? 
ATOM   534  O O    . THR   A 1 33  ? -3.112  1.099  -7.663  1.000 10.922 0 73  THR   A O    1 ? 
ATOM   535  C CB   . THR   A 1 33  ? -0.049  0.722  -8.931  1.000 12.449 0 73  THR   A CB   1 ? 
ATOM   536  O OG1  . THR   A 1 33  ? 0.964   -0.225 -9.241  1.000 14.291 0 73  THR   A OG1  1 ? 
ATOM   537  C CG2  . THR   A 1 33  ? 0.183   1.185  -7.526  1.000 17.528 0 73  THR   A CG2  1 ? 
ATOM   538  H H    . THR   A 1 33  ? -0.883  0.094  -11.262 1.000 9.843  0 73  THR   A H    1 c 
ATOM   539  H HA   . THR   A 1 33  ? -1.584  -0.628 -8.648  1.000 10.791 0 73  THR   A HA   1 c 
ATOM   540  H HB   . THR   A 1 33  ? 0.108   1.486  -9.539  1.000 12.449 0 73  THR   A HB   1 c 
ATOM   541  H HG1  . THR   A 1 33  ? 1.718   0.109  -9.087  0.000 14.291 0 73  THR   A HG1  1 c 
ATOM   542  H HG21 . THR   A 1 33  ? -0.447  1.916  -7.310  1.000 17.528 0 73  THR   A HG21 1 c 
ATOM   543  H HG22 . THR   A 1 33  ? 1.111   1.516  -7.435  1.000 17.528 0 73  THR   A HG22 1 c 
ATOM   544  H HG23 . THR   A 1 33  ? 0.040   0.432  -6.901  1.000 17.528 0 73  THR   A HG23 1 c 
ATOM   545  N N    . LEU   A 1 34  ? -2.742  2.232  -9.536  1.000 8.606  0 74  LEU   A N    1 ? 
ATOM   546  C CA   A LEU   A 1 34  ? -3.743  3.265  -9.172  0.500 8.633  0 74  LEU   A CA   1 ? 
ATOM   547  C CA   B LEU   A 1 34  ? -3.750  3.244  -9.191  0.500 8.001  0 74  LEU   A CA   1 ? 
ATOM   548  C C    . LEU   A 1 34  ? -5.138  2.654  -9.225  1.000 8.290  0 74  LEU   A C    1 ? 
ATOM   549  O O    . LEU   A 1 34  ? -5.980  2.998  -8.366  1.000 9.054  0 74  LEU   A O    1 ? 
ATOM   550  C CB   A LEU   A 1 34  ? -3.647  4.529  -10.035 0.500 9.343  0 74  LEU   A CB   1 ? 
ATOM   551  C CB   B LEU   A 1 34  ? -3.646  4.395  -10.165 0.500 7.554  0 74  LEU   A CB   1 ? 
ATOM   552  C CG   A LEU   A 1 34  ? -2.760  5.668  -9.498  0.500 10.291 0 74  LEU   A CG   1 ? 
ATOM   553  C CG   B LEU   A 1 34  ? -2.332  5.156  -10.063 0.500 7.606  0 74  LEU   A CG   1 ? 
ATOM   554  C CD1  A LEU   A 1 34  ? -1.297  5.257  -9.466  0.500 10.054 0 74  LEU   A CD1  1 ? 
ATOM   555  C CD1  B LEU   A 1 34  ? -2.234  6.116  -11.220 0.500 7.896  0 74  LEU   A CD1  1 ? 
ATOM   556  C CD2  A LEU   A 1 34  ? -2.958  6.941  -10.290 0.500 10.554 0 74  LEU   A CD2  1 ? 
ATOM   557  C CD2  B LEU   A 1 34  ? -2.218  5.877  -8.743  0.500 9.054  0 74  LEU   A CD2  1 ? 
ATOM   558  H H    . LEU   A 1 34  ? -2.236  2.322  -10.405 1.000 8.606  0 74  LEU   A H    1 c 
ATOM   559  H HA   A LEU   A 1 34  ? -3.549  3.580  -8.259  0.500 8.633  0 74  LEU   A HA   1 c 
ATOM   560  H HA   B LEU   A 1 34  ? -3.575  3.559  -8.274  0.500 8.001  0 74  LEU   A HA   1 c 
ATOM   561  H HB2  A LEU   A 1 34  ? -3.307  4.275  -10.916 0.500 9.343  0 74  LEU   A HB2  1 c 
ATOM   562  H HB2  B LEU   A 1 34  ? -3.750  4.042  -11.071 0.500 7.554  0 74  LEU   A HB2  1 c 
ATOM   563  H HB3  A LEU   A 1 34  ? -4.549  4.886  -10.160 0.500 9.343  0 74  LEU   A HB3  1 c 
ATOM   564  H HB3  B LEU   A 1 34  ? -4.392  5.006  -10.000 0.500 7.554  0 74  LEU   A HB3  1 c 
ATOM   565  H HG   A LEU   A 1 34  ? -3.026  5.849  -8.563  0.500 10.291 0 74  LEU   A HG   1 c 
ATOM   566  H HG   B LEU   A 1 34  ? -1.593  4.500  -10.115 0.500 7.606  0 74  LEU   A HG   1 c 
ATOM   567  H HD11 A LEU   A 1 34  ? -1.190  4.481  -8.888  0.500 10.054 0 74  LEU   A HD11 1 c 
ATOM   568  H HD11 B LEU   A 1 34  ? -2.264  5.620  -12.057 0.500 7.896  0 74  LEU   A HD11 1 c 
ATOM   569  H HD12 A LEU   A 1 34  ? -0.760  5.993  -9.124  0.500 10.054 0 74  LEU   A HD12 1 c 
ATOM   570  H HD12 B LEU   A 1 34  ? -1.397  6.608  -11.163 0.500 7.896  0 74  LEU   A HD12 1 c 
ATOM   571  H HD13 A LEU   A 1 34  ? -1.003  5.033  -10.366 0.500 10.054 0 74  LEU   A HD13 1 c 
ATOM   572  H HD13 B LEU   A 1 34  ? -2.979  6.741  -11.188 0.500 7.896  0 74  LEU   A HD13 1 c 
ATOM   573  H HD21 A LEU   A 1 34  ? -2.728  6.783  -11.222 0.500 10.554 0 74  LEU   A HD21 1 c 
ATOM   574  H HD21 B LEU   A 1 34  ? -2.951  6.511  -8.655  0.500 9.054  0 74  LEU   A HD21 1 c 
ATOM   575  H HD22 A LEU   A 1 34  ? -2.387  7.641  -9.928  0.500 10.554 0 74  LEU   A HD22 1 c 
ATOM   576  H HD22 B LEU   A 1 34  ? -1.370  6.353  -8.705  0.500 9.054  0 74  LEU   A HD22 1 c 
ATOM   577  H HD23 A LEU   A 1 34  ? -3.888  7.219  -10.230 0.500 10.554 0 74  LEU   A HD23 1 c 
ATOM   578  H HD23 B LEU   A 1 34  ? -2.259  5.232  -8.016  0.500 9.054  0 74  LEU   A HD23 1 c 
ATOM   579  N N    . TRP   A 1 35  ? -5.428  1.805  -10.183 1.000 8.712  0 75  TRP   A N    1 ? 
ATOM   580  C CA   . TRP   A 1 35  ? -6.795  1.288  -10.374 1.000 8.843  0 75  TRP   A CA   1 ? 
ATOM   581  C C    . TRP   A 1 35  ? -7.259  0.525  -9.153  1.000 9.659  0 75  TRP   A C    1 ? 
ATOM   582  O O    . TRP   A 1 35  ? -8.434  0.537  -8.800  1.000 10.396 0 75  TRP   A O    1 ? 
ATOM   583  C CB   . TRP   A 1 35  ? -6.831  0.362  -11.586 1.000 9.633  0 75  TRP   A CB   1 ? 
ATOM   584  C CG   . TRP   A 1 35  ? -8.223  -0.061 -11.941 1.000 9.422  0 75  TRP   A CG   1 ? 
ATOM   585  C CD1  . TRP   A 1 35  ? -8.904  -1.194 -11.586 1.000 11.159 0 75  TRP   A CD1  1 ? 
ATOM   586  C CD2  . TRP   A 1 35  ? -9.116  0.676  -12.784 1.000 8.975  0 75  TRP   A CD2  1 ? 
ATOM   587  N NE1  . TRP   A 1 35  ? -10.170 -1.180 -12.087 1.000 11.265 0 75  TRP   A NE1  1 ? 
ATOM   588  C CE2  . TRP   A 1 35  ? -10.323 -0.039 -12.846 1.000 10.080 0 75  TRP   A CE2  1 ? 
ATOM   589  C CE3  . TRP   A 1 35  ? -9.017  1.900  -13.448 1.000 8.922  0 75  TRP   A CE3  1 ? 
ATOM   590  C CZ2  . TRP   A 1 35  ? -11.404 0.397  -13.584 1.000 10.554 0 75  TRP   A CZ2  1 ? 
ATOM   591  C CZ3  . TRP   A 1 35  ? -10.093 2.345  -14.153 1.000 10.185 0 75  TRP   A CZ3  1 ? 
ATOM   592  C CH2  . TRP   A 1 35  ? -11.265 1.600  -14.238 1.000 10.396 0 75  TRP   A CH2  1 ? 
ATOM   593  H H    . TRP   A 1 35  ? -4.694  1.498  -10.805 1.000 8.712  0 75  TRP   A H    1 c 
ATOM   594  H HA   . TRP   A 1 35  ? -7.397  2.058  -10.506 1.000 8.843  0 75  TRP   A HA   1 c 
ATOM   595  H HB2  . TRP   A 1 35  ? -6.425  0.831  -12.343 1.000 9.633  0 75  TRP   A HB2  1 c 
ATOM   596  H HB3  . TRP   A 1 35  ? -6.287  -0.427 -11.386 1.000 9.633  0 75  TRP   A HB3  1 c 
ATOM   597  H HD1  . TRP   A 1 35  ? -8.561  -1.887 -11.043 1.000 11.159 0 75  TRP   A HD1  1 c 
ATOM   598  H HE1  . TRP   A 1 35  ? -10.767 -1.812 -11.974 1.000 11.265 0 75  TRP   A HE1  1 c 
ATOM   599  H HE3  . TRP   A 1 35  ? -8.215  2.397  -13.419 1.000 8.922  0 75  TRP   A HE3  1 c 
ATOM   600  H HZ2  . TRP   A 1 35  ? -12.200 -0.104 -13.639 1.000 10.554 0 75  TRP   A HZ2  1 c 
ATOM   601  H HZ3  . TRP   A 1 35  ? -10.041 3.171  -14.607 1.000 10.185 0 75  TRP   A HZ3  1 c 
ATOM   602  H HH2  . TRP   A 1 35  ? -11.990 1.938  -14.734 1.000 10.396 0 75  TRP   A HH2  1 c 
ATOM   603  N N    . LYS   A 1 36  ? -6.348  -0.216 -8.508  1.000 9.817  0 76  LYS   A N    1 ? 
ATOM   604  C CA   . LYS   A 1 36  ? -6.692  -1.071 -7.389  1.000 11.107 0 76  LYS   A CA   1 ? 
ATOM   605  C C    . LYS   A 1 36  ? -6.660  -0.321 -6.067  1.000 10.370 0 76  LYS   A C    1 ? 
ATOM   606  O O    . LYS   A 1 36  ? -7.055  -0.917 -5.058  1.000 11.633 0 76  LYS   A O    1 ? 
ATOM   607  C CB   . LYS   A 1 36  ? -5.821  -2.316 -7.328  1.000 12.870 0 76  LYS   A CB   1 ? 
ATOM   608  C CG   . LYS   A 1 36  ? -4.394  -2.080 -6.977  1.000 15.502 0 76  LYS   A CG   1 ? 
ATOM   609  C CD   . LYS   A 1 36  ? -3.592  -3.366 -6.926  1.000 21.397 0 76  LYS   A CD   1 ? 
ATOM   610  C CE   . LYS   A 1 36  ? -2.195  -3.117 -6.384  1.000 29.267 0 76  LYS   A CE   1 ? 
ATOM   611  N NZ   . LYS   A 1 36  ? -1.305  -4.250 -6.652  1.000 38.557 0 76  LYS   A NZ   1 ? 
ATOM   612  H H    . LYS   A 1 36  ? -5.388  -0.173 -8.818  1.000 9.817  0 76  LYS   A H    1 c 
ATOM   613  H HA   . LYS   A 1 36  ? -7.611  -1.402 -7.519  1.000 11.107 0 76  LYS   A HA   1 c 
ATOM   614  H HB2  . LYS   A 1 36  ? -6.206  -2.934 -6.672  1.000 12.870 0 76  LYS   A HB2  1 c 
ATOM   615  H HB3  . LYS   A 1 36  ? -5.859  -2.766 -8.198  1.000 12.870 0 76  LYS   A HB3  1 c 
ATOM   616  H HG2  . LYS   A 1 36  ? -4.002  -1.480 -7.647  1.000 15.502 0 76  LYS   A HG2  1 c 
ATOM   617  H HG3  . LYS   A 1 36  ? -4.356  -1.639 -6.101  1.000 15.502 0 76  LYS   A HG3  1 c 
ATOM   618  H HD2  . LYS   A 1 36  ? -4.061  -4.013 -6.357  1.000 21.397 0 76  LYS   A HD2  1 c 
ATOM   619  H HD3  . LYS   A 1 36  ? -3.538  -3.745 -7.829  1.000 21.397 0 76  LYS   A HD3  1 c 
ATOM   620  H HE2  . LYS   A 1 36  ? -1.823  -2.314 -6.796  1.000 29.267 0 76  LYS   A HE2  1 c 
ATOM   621  H HE3  . LYS   A 1 36  ? -2.240  -2.967 -5.421  1.000 29.267 0 76  LYS   A HE3  1 c 
ATOM   622  H HZ1  . LYS   A 1 36  ? -1.635  -4.999 -6.261  1.000 38.557 0 76  LYS   A HZ1  1 c 
ATOM   623  H HZ2  . LYS   A 1 36  ? -0.478  -4.076 -6.322  1.000 38.557 0 76  LYS   A HZ2  1 c 
ATOM   624  H HZ3  . LYS   A 1 36  ? -1.243  -4.387 -7.547  1.000 38.557 0 76  LYS   A HZ3  1 c 
ATOM   625  N N    . HIS   A 1 37  ? -6.263  0.925  -6.053  1.000 9.554  0 77  HIS   A N    1 ? 
ATOM   626  C CA   . HIS   A 1 37  ? -6.177  1.681  -4.820  1.000 9.606  0 77  HIS   A CA   1 ? 
ATOM   627  C C    . HIS   A 1 37  ? -7.577  1.863  -4.244  1.000 9.212  0 77  HIS   A C    1 ? 
ATOM   628  O O    . HIS   A 1 37  ? -8.546  2.084  -4.978  1.000 9.527  0 77  HIS   A O    1 ? 
ATOM   629  C CB   . HIS   A 1 37  ? -5.464  2.991  -5.104  1.000 10.185 0 77  HIS   A CB   1 ? 
ATOM   630  C CG   . HIS   A 1 37  ? -5.094  3.780  -3.916  1.000 10.264 0 77  HIS   A CG   1 ? 
ATOM   631  N ND1  . HIS   A 1 37  ? -3.947  3.660  -3.195  1.000 13.923 0 77  HIS   A ND1  1 ? 
ATOM   632  C CD2  . HIS   A 1 37  ? -5.861  4.738  -3.330  1.000 9.054  0 77  HIS   A CD2  1 ? 
ATOM   633  C CE1  . HIS   A 1 37  ? -4.008  4.561  -2.198  1.000 11.080 0 77  HIS   A CE1  1 ? 
ATOM   634  N NE2  . HIS   A 1 37  ? -5.175  5.210  -2.276  1.000 13.054 0 77  HIS   A NE2  1 ? 
ATOM   635  H H    . HIS   A 1 37  ? -6.010  1.371  -6.923  1.000 9.554  0 77  HIS   A H    1 c 
ATOM   636  H HA   . HIS   A 1 37  ? -5.641  1.159  -4.178  1.000 9.606  0 77  HIS   A HA   1 c 
ATOM   637  H HB2  . HIS   A 1 37  ? -4.642  2.801  -5.608  1.000 10.185 0 77  HIS   A HB2  1 c 
ATOM   638  H HB3  . HIS   A 1 37  ? -6.043  3.550  -5.669  1.000 10.185 0 77  HIS   A HB3  1 c 
ATOM   639  H HD1  . HIS   A 1 37  ? -3.299  3.094  -3.363  0.000 13.923 0 77  HIS   A HD1  1 c 
ATOM   640  H HD2  . HIS   A 1 37  ? -6.713  5.021  -3.607  1.000 9.054  0 77  HIS   A HD2  1 c 
ATOM   641  H HE1  . HIS   A 1 37  ? -3.347  4.700  -1.541  1.000 11.080 0 77  HIS   A HE1  1 c 
ATOM   642  H HE2  . HIS   A 1 37  ? -5.442  5.844  -1.732  0.000 13.054 0 77  HIS   A HE2  1 c 
ATOM   643  N N    . GLN   A 1 38  ? -7.665  1.915  -2.922  1.000 9.317  0 78  GLN   A N    1 ? 
ATOM   644  C CA   . GLN   A 1 38  ? -8.947  2.095  -2.266  1.000 10.291 0 78  GLN   A CA   1 ? 
ATOM   645  C C    . GLN   A 1 38  ? -9.606  3.421  -2.588  1.000 9.449  0 78  GLN   A C    1 ? 
ATOM   646  O O    . GLN   A 1 38  ? -10.819 3.532  -2.407  1.000 11.054 0 78  GLN   A O    1 ? 
ATOM   647  C CB   . GLN   A 1 38  ? -8.818  1.929  -0.743  1.000 11.844 0 78  GLN   A CB   1 ? 
ATOM   648  C CG   . GLN   A 1 38  ? -7.946  2.950  -0.056  1.000 15.660 0 78  GLN   A CG   1 ? 
ATOM   649  C CD   . GLN   A 1 38  ? -7.680  2.554  1.355   1.000 25.082 0 78  GLN   A CD   1 ? 
ATOM   650  O OE1  . GLN   A 1 38  ? -8.094  1.487  1.827   1.000 37.768 0 78  GLN   A OE1  1 ? 
ATOM   651  N NE2  . GLN   A 1 38  ? -6.901  3.386  1.978   1.000 33.530 0 78  GLN   A NE2  1 ? 
ATOM   652  H H    . GLN   A 1 38  ? -6.831  1.829  -2.358  1.000 9.317  0 78  GLN   A H    1 c 
ATOM   653  H HA   . GLN   A 1 38  ? -9.559  1.389  -2.578  1.000 10.291 0 78  GLN   A HA   1 c 
ATOM   654  H HB2  . GLN   A 1 38  ? -9.713  1.974  -0.347  1.000 11.844 0 78  GLN   A HB2  1 c 
ATOM   655  H HB3  . GLN   A 1 38  ? -8.453  1.039  -0.556  1.000 11.844 0 78  GLN   A HB3  1 c 
ATOM   656  H HG2  . GLN   A 1 38  ? -7.099  3.032  -0.544  1.000 15.660 0 78  GLN   A HG2  1 c 
ATOM   657  H HG3  . GLN   A 1 38  ? -8.393  3.823  -0.078  1.000 15.660 0 78  GLN   A HG3  1 c 
ATOM   658  H HE21 . GLN   A 1 38  ? -6.682  3.240  2.822   1.000 33.530 0 78  GLN   A HE21 1 c 
ATOM   659  H HE22 . GLN   A 1 38  ? -6.589  4.099  1.558   1.000 33.530 0 78  GLN   A HE22 1 c 
ATOM   660  N N    . PHE   A 1 39  ? -8.873  4.426  -3.055  1.000 8.869  0 79  PHE   A N    1 ? 
ATOM   661  C CA   . PHE   A 1 39  ? -9.441  5.718  -3.400  1.000 9.159  0 79  PHE   A CA   1 ? 
ATOM   662  C C    . PHE   A 1 39  ? -9.688  5.859  -4.917  1.000 8.659  0 79  PHE   A C    1 ? 
ATOM   663  O O    . PHE   A 1 39  ? -10.022 6.960  -5.334  1.000 9.185  0 79  PHE   A O    1 ? 
ATOM   664  C CB   . PHE   A 1 39  ? -8.544  6.837  -2.928  1.000 10.028 0 79  PHE   A CB   1 ? 
ATOM   665  C CG   . PHE   A 1 39  ? -8.357  6.977  -1.461  1.000 11.212 0 79  PHE   A CG   1 ? 
ATOM   666  C CD1  . PHE   A 1 39  ? -9.249  6.446  -0.535  1.000 11.896 0 79  PHE   A CD1  1 ? 
ATOM   667  C CD2  . PHE   A 1 39  ? -7.320  7.771  -1.021  1.000 12.975 0 79  PHE   A CD2  1 ? 
ATOM   668  C CE1  . PHE   A 1 39  ? -9.058  6.690  0.815   1.000 15.660 0 79  PHE   A CE1  1 ? 
ATOM   669  C CE2  . PHE   A 1 39  ? -7.105  7.988  0.311   1.000 16.160 0 79  PHE   A CE2  1 ? 
ATOM   670  C CZ   . PHE   A 1 39  ? -7.972  7.440  1.216   1.000 16.265 0 79  PHE   A CZ   1 ? 
ATOM   671  H H    . PHE   A 1 39  ? -7.881  4.277  -3.172  1.000 8.869  0 79  PHE   A H    1 c 
ATOM   672  H HA   . PHE   A 1 39  ? -10.320 5.807  -2.951  1.000 9.159  0 79  PHE   A HA   1 c 
ATOM   673  H HB2  . PHE   A 1 39  ? -7.659  6.715  -3.331  1.000 10.028 0 79  PHE   A HB2  1 c 
ATOM   674  H HB3  . PHE   A 1 39  ? -8.903  7.685  -3.265  1.000 10.028 0 79  PHE   A HB3  1 c 
ATOM   675  H HD1  . PHE   A 1 39  ? -10.009 5.975  -0.837  1.000 11.896 0 79  PHE   A HD1  1 c 
ATOM   676  H HD2  . PHE   A 1 39  ? -6.750  8.170  -1.659  1.000 12.975 0 79  PHE   A HD2  1 c 
ATOM   677  H HE1  . PHE   A 1 39  ? -9.661  6.331  1.446   1.000 15.660 0 79  PHE   A HE1  1 c 
ATOM   678  H HE2  . PHE   A 1 39  ? -6.370  8.497  0.613   1.000 16.160 0 79  PHE   A HE2  1 c 
ATOM   679  H HZ   . PHE   A 1 39  ? -7.831  7.613  2.133   1.000 16.265 0 79  PHE   A HZ   1 c 
ATOM   680  N N    . ALA   A 1 40  ? -9.521  4.801  -5.686  1.000 8.527  0 80  ALA   A N    1 ? 
ATOM   681  C CA   . ALA   A 1 40  ? -9.657  4.934  -7.143  1.000 8.264  0 80  ALA   A CA   1 ? 
ATOM   682  C C    . ALA   A 1 40  ? -11.056 5.199  -7.622  1.000 7.711  0 80  ALA   A C    1 ? 
ATOM   683  O O    . ALA   A 1 40  ? -11.242 5.780  -8.694  1.000 7.790  0 80  ALA   A O    1 ? 
ATOM   684  C CB   . ALA   A 1 40  ? -9.143  3.692  -7.826  1.000 9.317  0 80  ALA   A CB   1 ? 
ATOM   685  H H    . ALA   A 1 40  ? -9.301  3.897  -5.292  1.000 8.527  0 80  ALA   A H    1 c 
ATOM   686  H HA   . ALA   A 1 40  ? -9.117  5.704  -7.439  1.000 8.264  0 80  ALA   A HA   1 c 
ATOM   687  H HB1  . ALA   A 1 40  ? -9.237  3.788  -8.787  1.000 9.317  0 80  ALA   A HB1  1 c 
ATOM   688  H HB2  . ALA   A 1 40  ? -8.207  3.564  -7.605  1.000 9.317  0 80  ALA   A HB2  1 c 
ATOM   689  H HB3  . ALA   A 1 40  ? -9.654  2.921  -7.527  1.000 9.317  0 80  ALA   A HB3  1 c 
ATOM   690  N N    . TRP   A 1 41  ? -12.075 4.728  -6.882  1.000 8.264  0 81  TRP   A N    1 ? 
ATOM   691  C CA   . TRP   A 1 41  ? -13.407 4.589  -7.456  1.000 8.791  0 81  TRP   A CA   1 ? 
ATOM   692  C C    . TRP   A 1 41  ? -13.981 5.888  -8.031  1.000 8.527  0 81  TRP   A C    1 ? 
ATOM   693  O O    . TRP   A 1 41  ? -14.636 5.791  -9.084  1.000 9.054  0 81  TRP   A O    1 ? 
ATOM   694  C CB   . TRP   A 1 41  ? -14.343 3.921  -6.422  1.000 10.159 0 81  TRP   A CB   1 ? 
ATOM   695  C CG   . TRP   A 1 41  ? -14.413 4.543  -5.060  1.000 10.001 0 81  TRP   A CG   1 ? 
ATOM   696  C CD1  . TRP   A 1 41  ? -13.564 4.406  -4.009  1.000 11.054 0 81  TRP   A CD1  1 ? 
ATOM   697  C CD2  . TRP   A 1 41  ? -15.418 5.449  -4.621  1.000 11.265 0 81  TRP   A CD2  1 ? 
ATOM   698  N NE1  . TRP   A 1 41  ? -13.964 5.179  -2.972  1.000 12.291 0 81  TRP   A NE1  1 ? 
ATOM   699  C CE2  . TRP   A 1 41  ? -15.128 5.826  -3.322  1.000 13.265 0 81  TRP   A CE2  1 ? 
ATOM   700  C CE3  . TRP   A 1 41  ? -16.579 5.961  -5.205  1.000 12.396 0 81  TRP   A CE3  1 ? 
ATOM   701  C CZ2  . TRP   A 1 41  ? -15.933 6.672  -2.534  1.000 13.528 0 81  TRP   A CZ2  1 ? 
ATOM   702  C CZ3  . TRP   A 1 41  ? -17.368 6.810  -4.462  1.000 14.607 0 81  TRP   A CZ3  1 ? 
ATOM   703  C CH2  . TRP   A 1 41  ? -17.045 7.168  -3.167  1.000 16.555 0 81  TRP   A CH2  1 ? 
ATOM   704  H H    . TRP   A 1 41  ? -11.924 4.466  -5.918  1.000 8.264  0 81  TRP   A H    1 c 
ATOM   705  H HA   . TRP   A 1 41  ? -13.352 3.947  -8.203  1.000 8.791  0 81  TRP   A HA   1 c 
ATOM   706  H HB2  . TRP   A 1 41  ? -15.251 3.918  -6.787  1.000 10.159 0 81  TRP   A HB2  1 c 
ATOM   707  H HB3  . TRP   A 1 41  ? -14.056 2.992  -6.304  1.000 10.159 0 81  TRP   A HB3  1 c 
ATOM   708  H HD1  . TRP   A 1 41  ? -12.783 3.874  -4.006  1.000 11.054 0 81  TRP   A HD1  1 c 
ATOM   709  H HE1  . TRP   A 1 41  ? -13.557 5.239  -2.197  1.000 12.291 0 81  TRP   A HE1  1 c 
ATOM   710  H HE3  . TRP   A 1 41  ? -16.813 5.729  -6.089  1.000 12.396 0 81  TRP   A HE3  1 c 
ATOM   711  H HZ2  . TRP   A 1 41  ? -15.738 6.891  -1.639  1.000 13.528 0 81  TRP   A HZ2  1 c 
ATOM   712  H HZ3  . TRP   A 1 41  ? -18.156 7.164  -4.843  1.000 14.607 0 81  TRP   A HZ3  1 c 
ATOM   713  H HH2  . TRP   A 1 41  ? -17.614 7.751  -2.696  1.000 16.555 0 81  TRP   A HH2  1 c 
ATOM   714  N N    . PRO   A 1 42  ? -13.807 7.096  -7.471  1.000 7.659  0 82  PRO   A N    1 ? 
ATOM   715  C CA   . PRO   A 1 42  ? -14.368 8.286  -8.113  1.000 7.817  0 82  PRO   A CA   1 ? 
ATOM   716  C C    . PRO   A 1 42  ? -13.738 8.606  -9.446  1.000 7.501  0 82  PRO   A C    1 ? 
ATOM   717  O O    . PRO   A 1 42  ? -14.293 9.425  -10.201 1.000 8.606  0 82  PRO   A O    1 ? 
ATOM   718  C CB   . PRO   A 1 42  ? -14.098 9.390  -7.098  1.000 8.580  0 82  PRO   A CB   1 ? 
ATOM   719  C CG   . PRO   A 1 42  ? -13.895 8.695  -5.783  1.000 8.501  0 82  PRO   A CG   1 ? 
ATOM   720  C CD   . PRO   A 1 42  ? -13.145 7.439  -6.199  1.000 8.027  0 82  PRO   A CD   1 ? 
ATOM   721  H HA   . PRO   A 1 42  ? -15.342 8.161  -8.241  1.000 7.817  0 82  PRO   A HA   1 c 
ATOM   722  H HB2  . PRO   A 1 42  ? -13.301 9.905  -7.342  1.000 8.580  0 82  PRO   A HB2  1 c 
ATOM   723  H HB3  . PRO   A 1 42  ? -14.853 10.012 -7.046  1.000 8.580  0 82  PRO   A HB3  1 c 
ATOM   724  H HG2  . PRO   A 1 42  ? -13.376 9.255  -5.169  1.000 8.501  0 82  PRO   A HG2  1 c 
ATOM   725  H HG3  . PRO   A 1 42  ? -14.755 8.494  -5.358  1.000 8.501  0 82  PRO   A HG3  1 c 
ATOM   726  H HD2  . PRO   A 1 42  ? -12.189 7.624  -6.311  1.000 8.027  0 82  PRO   A HD2  1 c 
ATOM   727  H HD3  . PRO   A 1 42  ? -13.241 6.735  -5.524  1.000 8.027  0 82  PRO   A HD3  1 c 
ATOM   728  N N    . PHE   A 1 43  ? -12.581 8.027  -9.724  1.000 7.290  0 83  PHE   A N    1 ? 
ATOM   729  C CA   . PHE   A 1 43  ? -11.751 8.320  -10.880 1.000 7.396  0 83  PHE   A CA   1 ? 
ATOM   730  C C    . PHE   A 1 43  ? -11.789 7.201  -11.903 1.000 7.738  0 83  PHE   A C    1 ? 
ATOM   731  O O    . PHE   A 1 43  ? -11.082 7.312  -12.923 1.000 8.685  0 83  PHE   A O    1 ? 
ATOM   732  C CB   . PHE   A 1 43  ? -10.285 8.575  -10.440 1.000 7.317  0 83  PHE   A CB   1 ? 
ATOM   733  C CG   . PHE   A 1 43  ? -10.193 9.667  -9.396  1.000 7.632  0 83  PHE   A CG   1 ? 
ATOM   734  C CD1  . PHE   A 1 43  ? -10.167 11.013 -9.781  1.000 8.185  0 83  PHE   A CD1  1 ? 
ATOM   735  C CD2  . PHE   A 1 43  ? -10.199 9.376  -8.056  1.000 7.948  0 83  PHE   A CD2  1 ? 
ATOM   736  C CE1  . PHE   A 1 43  ? -10.116 12.004 -8.846  1.000 9.159  0 83  PHE   A CE1  1 ? 
ATOM   737  C CE2  . PHE   A 1 43  ? -10.171 10.386 -7.097  1.000 8.975  0 83  PHE   A CE2  1 ? 
ATOM   738  C CZ   . PHE   A 1 43  ? -10.139 11.695 -7.489  1.000 9.212  0 83  PHE   A CZ   1 ? 
ATOM   739  H H    . PHE   A 1 43  ? -12.274 7.329  -9.062  1.000 7.290  0 83  PHE   A H    1 c 
ATOM   740  H HA   . PHE   A 1 43  ? -12.101 9.135  -11.322 1.000 7.396  0 83  PHE   A HA   1 c 
ATOM   741  H HB2  . PHE   A 1 43  ? -9.916  7.737  -10.091 1.000 7.317  0 83  PHE   A HB2  1 c 
ATOM   742  H HB3  . PHE   A 1 43  ? -9.761  8.815  -11.232 1.000 7.317  0 83  PHE   A HB3  1 c 
ATOM   743  H HD1  . PHE   A 1 43  ? -10.207 11.237 -10.697 1.000 8.185  0 83  PHE   A HD1  1 c 
ATOM   744  H HD2  . PHE   A 1 43  ? -10.223 8.472  -7.785  1.000 7.948  0 83  PHE   A HD2  1 c 
ATOM   745  H HE1  . PHE   A 1 43  ? -10.099 12.907 -9.120  1.000 9.159  0 83  PHE   A HE1  1 c 
ATOM   746  H HE2  . PHE   A 1 43  ? -10.187 10.170 -6.178  1.000 8.975  0 83  PHE   A HE2  1 c 
ATOM   747  H HZ   . PHE   A 1 43  ? -10.103 12.386 -6.847  1.000 9.212  0 83  PHE   A HZ   1 c 
ATOM   748  N N    . GLN   A 1 44  ? -12.580 6.149  -11.700 1.000 7.448  0 84  GLN   A N    1 ? 
ATOM   749  C CA   . GLN   A 1 44  ? -12.604 4.996  -12.614 1.000 7.843  0 84  GLN   A CA   1 ? 
ATOM   750  C C    . GLN   A 1 44  ? -13.515 5.168  -13.808 1.000 8.133  0 84  GLN   A C    1 ? 
ATOM   751  O O    . GLN   A 1 44  ? -13.573 4.241  -14.640 1.000 8.869  0 84  GLN   A O    1 ? 
ATOM   752  C CB   . GLN   A 1 44  ? -12.951 3.723  -11.828 1.000 8.317  0 84  GLN   A CB   1 ? 
ATOM   753  C CG   . GLN   A 1 44  ? -11.819 3.204  -10.953 1.000 8.422  0 84  GLN   A CG   1 ? 
ATOM   754  C CD   . GLN   A 1 44  ? -12.229 2.009  -10.147 1.000 9.370  0 84  GLN   A CD   1 ? 
ATOM   755  O OE1  . GLN   A 1 44  ? -13.431 1.787  -9.926  1.000 12.186 0 84  GLN   A OE1  1 ? 
ATOM   756  N NE2  . GLN   A 1 44  ? -11.302 1.163  -9.725  1.000 10.001 0 84  GLN   A NE2  1 ? 
ATOM   757  H H    . GLN   A 1 44  ? -13.182 6.147  -10.889 1.000 7.448  0 84  GLN   A H    1 c 
ATOM   758  H HA   . GLN   A 1 44  ? -11.697 4.864  -12.974 1.000 7.843  0 84  GLN   A HA   1 c 
ATOM   759  H HB2  . GLN   A 1 44  ? -13.729 3.909  -11.262 1.000 8.317  0 84  GLN   A HB2  1 c 
ATOM   760  H HB3  . GLN   A 1 44  ? -13.205 3.023  -12.465 1.000 8.317  0 84  GLN   A HB3  1 c 
ATOM   761  H HG2  . GLN   A 1 44  ? -11.057 2.962  -11.521 1.000 8.422  0 84  GLN   A HG2  1 c 
ATOM   762  H HG3  . GLN   A 1 44  ? -11.528 3.917  -10.345 1.000 8.422  0 84  GLN   A HG3  1 c 
ATOM   763  H HE21 . GLN   A 1 44  ? -11.533 0.455  -9.249  1.000 10.001 0 84  GLN   A HE21 1 c 
ATOM   764  H HE22 . GLN   A 1 44  ? -10.452 1.306  -9.919  1.000 10.001 0 84  GLN   A HE22 1 c 
ATOM   765  N N    . GLN   A 1 45  ? -14.173 6.295  -13.933 1.000 8.448  0 85  GLN   A N    1 ? 
ATOM   766  C CA   . GLN   A 1 45  ? -15.100 6.538  -15.062 1.000 8.948  0 85  GLN   A CA   1 ? 
ATOM   767  C C    . GLN   A 1 45  ? -15.245 8.042  -15.192 1.000 8.001  0 85  GLN   A C    1 ? 
ATOM   768  O O    . GLN   A 1 45  ? -14.985 8.786  -14.245 1.000 8.422  0 85  GLN   A O    1 ? 
ATOM   769  C CB   . GLN   A 1 45  ? -16.447 5.876  -14.788 1.000 9.527  0 85  GLN   A CB   1 ? 
ATOM   770  C CG   . GLN   A 1 45  ? -17.136 6.367  -13.542 1.000 10.870 0 85  GLN   A CG   1 ? 
ATOM   771  C CD   . GLN   A 1 45  ? -16.510 5.872  -12.242 1.000 10.712 0 85  GLN   A CD   1 ? 
ATOM   772  O OE1  . GLN   A 1 45  ? -16.260 4.675  -12.063 1.000 12.265 0 85  GLN   A OE1  1 ? 
ATOM   773  N NE2  . GLN   A 1 45  ? -16.217 6.775  -11.340 1.000 10.870 0 85  GLN   A NE2  1 ? 
ATOM   774  H H    . GLN   A 1 45  ? -14.043 7.017  -13.239 1.000 8.448  0 85  GLN   A H    1 c 
ATOM   775  H HA   . GLN   A 1 45  ? -14.699 6.166  -15.881 1.000 8.948  0 85  GLN   A HA   1 c 
ATOM   776  H HB2  . GLN   A 1 45  ? -17.034 6.035  -15.556 1.000 9.527  0 85  GLN   A HB2  1 c 
ATOM   777  H HB3  . GLN   A 1 45  ? -16.309 4.909  -14.712 1.000 9.527  0 85  GLN   A HB3  1 c 
ATOM   778  H HG2  . GLN   A 1 45  ? -17.122 7.348  -13.531 1.000 10.870 0 85  GLN   A HG2  1 c 
ATOM   779  H HG3  . GLN   A 1 45  ? -18.073 6.078  -13.556 1.000 10.870 0 85  GLN   A HG3  1 c 
ATOM   780  H HE21 . GLN   A 1 45  ? -15.853 6.531  -10.572 1.000 10.870 0 85  GLN   A HE21 1 c 
ATOM   781  H HE22 . GLN   A 1 45  ? -16.383 7.629  -11.498 1.000 10.870 0 85  GLN   A HE22 1 c 
ATOM   782  N N    . PRO   A 1 46  ? -15.717 8.529  -16.347 1.000 8.896  0 86  PRO   A N    1 ? 
ATOM   783  C CA   . PRO   A 1 46  ? -16.017 9.943  -16.471 1.000 8.975  0 86  PRO   A CA   1 ? 
ATOM   784  C C    . PRO   A 1 46  ? -16.928 10.445 -15.367 1.000 8.791  0 86  PRO   A C    1 ? 
ATOM   785  O O    . PRO   A 1 46  ? -17.836 9.735  -14.917 1.000 9.712  0 86  PRO   A O    1 ? 
ATOM   786  C CB   . PRO   A 1 46  ? -16.688 10.032 -17.826 1.000 10.370 0 86  PRO   A CB   1 ? 
ATOM   787  C CG   . PRO   A 1 46  ? -16.063 8.896  -18.626 1.000 10.396 0 86  PRO   A CG   1 ? 
ATOM   788  C CD   . PRO   A 1 46  ? -15.931 7.815  -17.609 1.000 10.238 0 86  PRO   A CD   1 ? 
ATOM   789  H HA   . PRO   A 1 46  ? -15.172 10.459 -16.460 1.000 8.975  0 86  PRO   A HA   1 c 
ATOM   790  H HB2  . PRO   A 1 46  ? -17.658 9.921  -17.746 1.000 10.370 0 86  PRO   A HB2  1 c 
ATOM   791  H HB3  . PRO   A 1 46  ? -16.518 10.901 -18.246 1.000 10.370 0 86  PRO   A HB3  1 c 
ATOM   792  H HG2  . PRO   A 1 46  ? -16.643 8.634  -19.372 1.000 10.396 0 86  PRO   A HG2  1 c 
ATOM   793  H HG3  . PRO   A 1 46  ? -15.196 9.165  -18.995 1.000 10.396 0 86  PRO   A HG3  1 c 
ATOM   794  H HD2  . PRO   A 1 46  ? -16.742 7.266  -17.576 1.000 10.238 0 86  PRO   A HD2  1 c 
ATOM   795  H HD3  . PRO   A 1 46  ? -15.175 7.228  -17.820 1.000 10.238 0 86  PRO   A HD3  1 c 
ATOM   796  N N    . VAL   A 1 47  ? -16.745 11.672 -14.978 1.000 9.133  0 87  VAL   A N    1 ? 
ATOM   797  C CA   . VAL   A 1 47  ? -17.667 12.320 -14.019 1.000 9.396  0 87  VAL   A CA   1 ? 
ATOM   798  C C    . VAL   A 1 47  ? -19.041 12.416 -14.683 1.000 10.001 0 87  VAL   A C    1 ? 
ATOM   799  O O    . VAL   A 1 47  ? -19.186 13.033 -15.767 1.000 10.343 0 87  VAL   A O    1 ? 
ATOM   800  C CB   . VAL   A 1 47  ? -17.147 13.706 -13.599 1.000 9.738  0 87  VAL   A CB   1 ? 
ATOM   801  C CG1  . VAL   A 1 47  ? -18.176 14.487 -12.800 1.000 12.001 0 87  VAL   A CG1  1 ? 
ATOM   802  C CG2  . VAL   A 1 47  ? -15.869 13.541 -12.805 1.000 10.659 0 87  VAL   A CG2  1 ? 
ATOM   803  H H    . VAL   A 1 47  ? -15.959 12.196 -15.336 1.000 9.133  0 87  VAL   A H    1 c 
ATOM   804  H HA   . VAL   A 1 47  ? -17.736 11.755 -13.229 1.000 9.396  0 87  VAL   A HA   1 c 
ATOM   805  H HB   . VAL   A 1 47  ? -16.944 14.206 -14.427 1.000 9.738  0 87  VAL   A HB   1 c 
ATOM   806  H HG11 . VAL   A 1 47  ? -18.976 14.615 -13.338 1.000 12.001 0 87  VAL   A HG11 1 c 
ATOM   807  H HG12 . VAL   A 1 47  ? -17.808 15.354 -12.555 1.000 12.001 0 87  VAL   A HG12 1 c 
ATOM   808  H HG13 . VAL   A 1 47  ? -18.404 13.993 -11.993 1.000 12.001 0 87  VAL   A HG13 1 c 
ATOM   809  H HG21 . VAL   A 1 47  ? -16.046 13.005 -12.012 1.000 10.659 0 87  VAL   A HG21 1 c 
ATOM   810  H HG22 . VAL   A 1 47  ? -15.537 14.416 -12.538 1.000 10.659 0 87  VAL   A HG22 1 c 
ATOM   811  H HG23 . VAL   A 1 47  ? -15.201 13.095 -13.354 1.000 10.659 0 87  VAL   A HG23 1 c 
ATOM   812  N N    . ASP   A 1 48  ? -20.049 11.829 -14.061 1.000 10.343 0 88  ASP   A N    1 ? 
ATOM   813  C CA   . ASP   A 1 48  ? -21.429 11.879 -14.541 1.000 11.107 0 88  ASP   A CA   1 ? 
ATOM   814  C C    . ASP   A 1 48  ? -22.110 13.074 -13.907 1.000 11.370 0 88  ASP   A C    1 ? 
ATOM   815  O O    . ASP   A 1 48  ? -22.655 12.971 -12.798 1.000 12.528 0 88  ASP   A O    1 ? 
ATOM   816  C CB   . ASP   A 1 48  ? -22.118 10.578 -14.274 1.000 12.554 0 88  ASP   A CB   1 ? 
ATOM   817  C CG   . ASP   A 1 48  ? -23.499 10.489 -14.928 1.000 13.107 0 88  ASP   A CG   1 ? 
ATOM   818  O OD1  . ASP   A 1 48  ? -24.077 11.551 -15.217 1.000 13.633 0 88  ASP   A OD1  1 ? 
ATOM   819  O OD2  . ASP   A 1 48  ? -24.001 9.344  -15.029 1.000 17.423 0 88  ASP   A OD2  1 ? 
ATOM   820  H H    . ASP   A 1 48  ? -19.841 11.323 -13.212 1.000 10.343 0 88  ASP   A H    1 c 
ATOM   821  H HA   . ASP   A 1 48  ? -21.415 11.994 -15.520 1.000 11.107 0 88  ASP   A HA   1 c 
ATOM   822  H HB2  . ASP   A 1 48  ? -21.565 9.854  -14.633 1.000 12.554 0 88  ASP   A HB2  1 c 
ATOM   823  H HB3  . ASP   A 1 48  ? -22.233 10.481 -13.307 1.000 12.554 0 88  ASP   A HB3  1 c 
ATOM   824  N N    . ALA   A 1 49  ? -22.003 14.208 -14.561 1.000 10.975 0 89  ALA   A N    1 ? 
ATOM   825  C CA   . ALA   A 1 49  ? -22.539 15.445 -14.008 1.000 11.107 0 89  ALA   A CA   1 ? 
ATOM   826  C C    . ALA   A 1 49  ? -24.070 15.375 -13.889 1.000 11.844 0 89  ALA   A C    1 ? 
ATOM   827  O O    . ALA   A 1 49  ? -24.625 16.028 -12.992 1.000 13.581 0 89  ALA   A O    1 ? 
ATOM   828  C CB   . ALA   A 1 49  ? -22.094 16.624 -14.830 1.000 12.080 0 89  ALA   A CB   1 ? 
ATOM   829  H H    . ALA   A 1 49  ? -21.544 14.229 -15.460 1.000 10.975 0 89  ALA   A H    1 c 
ATOM   830  H HA   . ALA   A 1 49  ? -22.170 15.569 -13.102 1.000 11.107 0 89  ALA   A HA   1 c 
ATOM   831  H HB1  . ALA   A 1 49  ? -22.457 17.440 -14.451 1.000 12.080 0 89  ALA   A HB1  1 c 
ATOM   832  H HB2  . ALA   A 1 49  ? -21.125 16.673 -14.830 1.000 12.080 0 89  ALA   A HB2  1 c 
ATOM   833  H HB3  . ALA   A 1 49  ? -22.412 16.523 -15.743 1.000 12.080 0 89  ALA   A HB3  1 c 
ATOM   834  N N    . VAL   A 1 50  ? -24.743 14.636 -14.736 1.000 12.396 0 90  VAL   A N    1 ? 
ATOM   835  C CA   . VAL   A 1 50  ? -26.208 14.431 -14.557 1.000 12.923 0 90  VAL   A CA   1 ? 
ATOM   836  C C    . VAL   A 1 50  ? -26.543 13.697 -13.275 1.000 13.949 0 90  VAL   A C    1 ? 
ATOM   837  O O    . VAL   A 1 50  ? -27.306 14.232 -12.478 1.000 15.607 0 90  VAL   A O    1 ? 
ATOM   838  C CB   . VAL   A 1 50  ? -26.776 13.665 -15.745 1.000 14.923 0 90  VAL   A CB   1 ? 
ATOM   839  C CG1  . VAL   A 1 50  ? -28.244 13.369 -15.557 1.000 16.686 0 90  VAL   A CG1  1 ? 
ATOM   840  C CG2  . VAL   A 1 50  ? -26.572 14.452 -16.965 1.000 15.002 0 90  VAL   A CG2  1 ? 
ATOM   841  H H    . VAL   A 1 50  ? -24.276 14.198 -15.518 1.000 12.396 0 90  VAL   A H    1 c 
ATOM   842  H HA   . VAL   A 1 50  ? -26.636 15.304 -14.499 1.000 12.923 0 90  VAL   A HA   1 c 
ATOM   843  H HB   . VAL   A 1 50  ? -26.266 12.821 -15.821 1.000 14.923 0 90  VAL   A HB   1 c 
ATOM   844  H HG11 . VAL   A 1 50  ? -28.367 12.832 -14.755 1.000 16.686 0 90  VAL   A HG11 1 c 
ATOM   845  H HG12 . VAL   A 1 50  ? -28.579 12.881 -16.329 1.000 16.686 0 90  VAL   A HG12 1 c 
ATOM   846  H HG13 . VAL   A 1 50  ? -28.735 14.204 -15.465 1.000 16.686 0 90  VAL   A HG13 1 c 
ATOM   847  H HG21 . VAL   A 1 50  ? -27.027 15.308 -16.879 1.000 15.002 0 90  VAL   A HG21 1 c 
ATOM   848  H HG22 . VAL   A 1 50  ? -26.932 13.968 -17.728 1.000 15.002 0 90  VAL   A HG22 1 c 
ATOM   849  H HG23 . VAL   A 1 50  ? -25.620 14.604 -17.098 1.000 15.002 0 90  VAL   A HG23 1 c 
ATOM   850  N N    . LYS   A 1 51  ? -25.974 12.566 -13.096 1.000 13.475 0 91  LYS   A N    1 ? 
ATOM   851  C CA   . LYS   A 1 51  ? -26.314 11.733 -11.945 1.000 13.975 0 91  LYS   A CA   1 ? 
ATOM   852  C C    . LYS   A 1 51  ? -25.821 12.333 -10.645 1.000 14.923 0 91  LYS   A C    1 ? 
ATOM   853  O O    . LYS   A 1 51  ? -26.525 12.240 -9.638  1.000 17.792 0 91  LYS   A O    1 ? 
ATOM   854  C CB   . LYS   A 1 51  ? -25.679 10.365 -12.104 1.000 15.660 0 91  LYS   A CB   1 ? 
ATOM   855  C CG   . LYS   A 1 51  ? -25.987 9.419  -10.984 1.000 19.555 0 91  LYS   A CG   1 ? 
ATOM   856  C CD   . LYS   A 1 51  ? -25.421 8.056  -11.214 1.000 25.319 0 91  LYS   A CD   1 ? 
ATOM   857  C CE   . LYS   A 1 51  ? -25.550 7.194  -9.975  1.000 30.451 0 91  LYS   A CE   1 ? 
ATOM   858  N NZ   . LYS   A 1 51  ? -26.960 6.806  -9.732  1.000 31.688 0 91  LYS   A NZ   1 ? 
ATOM   859  H H    . LYS   A 1 51  ? -25.281 12.238 -13.753 1.000 13.475 0 91  LYS   A H    1 c 
ATOM   860  H HA   . LYS   A 1 51  ? -27.295 11.666 -11.887 1.000 13.975 0 91  LYS   A HA   1 c 
ATOM   861  H HB2  . LYS   A 1 51  ? -25.983 9.977  -12.951 1.000 15.660 0 91  LYS   A HB2  1 c 
ATOM   862  H HB3  . LYS   A 1 51  ? -24.708 10.478 -12.177 1.000 15.660 0 91  LYS   A HB3  1 c 
ATOM   863  H HG2  . LYS   A 1 51  ? -25.617 9.786  -10.153 1.000 19.555 0 91  LYS   A HG2  1 c 
ATOM   864  H HG3  . LYS   A 1 51  ? -26.961 9.352  -10.890 1.000 19.555 0 91  LYS   A HG3  1 c 
ATOM   865  H HD2  . LYS   A 1 51  ? -25.894 7.635  -11.964 1.000 25.319 0 91  LYS   A HD2  1 c 
ATOM   866  H HD3  . LYS   A 1 51  ? -24.476 8.140  -11.465 1.000 25.319 0 91  LYS   A HD3  1 c 
ATOM   867  H HE2  . LYS   A 1 51  ? -25.009 6.388  -10.079 1.000 30.451 0 91  LYS   A HE2  1 c 
ATOM   868  H HE3  . LYS   A 1 51  ? -25.214 7.683  -9.200  1.000 30.451 0 91  LYS   A HE3  1 c 
ATOM   869  H HZ1  . LYS   A 1 51  ? -27.468 7.549  -9.620  1.000 31.688 0 91  LYS   A HZ1  1 c 
ATOM   870  H HZ2  . LYS   A 1 51  ? -27.012 6.289  -8.988  1.000 31.688 0 91  LYS   A HZ2  1 c 
ATOM   871  H HZ3  . LYS   A 1 51  ? -27.276 6.336  -10.441 1.000 31.688 0 91  LYS   A HZ3  1 c 
ATOM   872  N N    . LEU   A 1 52  ? -24.722 13.068 -10.694 1.000 14.133 0 92  LEU   A N    1 ? 
ATOM   873  C CA   . LEU   A 1 52  ? -24.134 13.650 -9.487  1.000 15.028 0 92  LEU   A CA   1 ? 
ATOM   874  C C    . LEU   A 1 52  ? -24.631 15.093 -9.241  1.000 14.949 0 92  LEU   A C    1 ? 
ATOM   875  O O    . LEU   A 1 52  ? -24.294 15.678 -8.273  1.000 16.160 0 92  LEU   A O    1 ? 
ATOM   876  C CB   . LEU   A 1 52  ? -22.611 13.597 -9.611  1.000 14.396 0 92  LEU   A CB   1 ? 
ATOM   877  C CG   . LEU   A 1 52  ? -22.038 12.182 -9.757  1.000 16.528 0 92  LEU   A CG   1 ? 
ATOM   878  C CD1  . LEU   A 1 52  ? -20.549 12.303 -9.950  1.000 17.923 0 92  LEU   A CD1  1 ? 
ATOM   879  C CD2  . LEU   A 1 52  ? -22.427 11.214 -8.632  1.000 20.529 0 92  LEU   A CD2  1 ? 
ATOM   880  H H    . LEU   A 1 52  ? -24.278 13.232 -11.586 1.000 14.133 0 92  LEU   A H    1 c 
ATOM   881  H HA   . LEU   A 1 52  ? -24.407 13.106 -8.713  1.000 15.028 0 92  LEU   A HA   1 c 
ATOM   882  H HB2  . LEU   A 1 52  ? -22.347 14.130 -10.387 1.000 14.396 0 92  LEU   A HB2  1 c 
ATOM   883  H HB3  . LEU   A 1 52  ? -22.223 14.019 -8.818  1.000 14.396 0 92  LEU   A HB3  1 c 
ATOM   884  H HG   . LEU   A 1 52  ? -22.394 11.792 -10.593 1.000 16.528 0 92  LEU   A HG   1 c 
ATOM   885  H HD11 . LEU   A 1 52  ? -20.367 12.825 -10.751 1.000 17.923 0 92  LEU   A HD11 1 c 
ATOM   886  H HD12 . LEU   A 1 52  ? -20.161 11.416 -10.045 1.000 17.923 0 92  LEU   A HD12 1 c 
ATOM   887  H HD13 . LEU   A 1 52  ? -20.157 12.747 -9.178  1.000 17.923 0 92  LEU   A HD13 1 c 
ATOM   888  H HD21 . LEU   A 1 52  ? -22.108 11.561 -7.781  1.000 20.529 0 92  LEU   A HD21 1 c 
ATOM   889  H HD22 . LEU   A 1 52  ? -22.026 10.344 -8.800  1.000 20.529 0 92  LEU   A HD22 1 c 
ATOM   890  H HD23 . LEU   A 1 52  ? -23.395 11.124 -8.602  1.000 20.529 0 92  LEU   A HD23 1 c 
ATOM   891  N N    . ASN   A 1 53  ? -25.438 15.596 -10.185 1.000 13.660 0 93  ASN   A N    1 ? 
ATOM   892  C CA   . ASN   A 1 53  ? -26.053 16.946 -10.120 1.000 16.607 0 93  ASN   A CA   1 ? 
ATOM   893  C C    . ASN   A 1 53  ? -24.930 18.002 -9.985  1.000 13.923 0 93  ASN   A C    1 ? 
ATOM   894  O O    . ASN   A 1 53  ? -24.886 18.784 -9.028  1.000 16.660 0 93  ASN   A O    1 ? 
ATOM   895  C CB   . ASN   A 1 53  ? -27.051 17.088 -8.990  1.000 23.845 0 93  ASN   A CB   1 ? 
ATOM   896  C CG   . ASN   A 1 53  ? -27.681 18.444 -9.074  1.000 44.769 0 93  ASN   A CG   1 ? 
ATOM   897  O OD1  . ASN   A 1 53  ? -27.523 19.050 -10.167 1.000 34.846 0 93  ASN   A OD1  1 ? 
ATOM   898  N ND2  . ASN   A 1 53  ? -28.405 18.880 -8.009  1.000 57.771 0 93  ASN   A ND2  1 ? 
ATOM   899  H H    . ASN   A 1 53  ? -25.628 15.006 -10.982 1.000 13.660 0 93  ASN   A H    1 c 
ATOM   900  H HA   . ASN   A 1 53  ? -26.545 17.106 -10.959 1.000 16.607 0 93  ASN   A HA   1 c 
ATOM   901  H HB2  . ASN   A 1 53  ? -27.722 16.379 -9.068  1.000 23.845 0 93  ASN   A HB2  1 c 
ATOM   902  H HB3  . ASN   A 1 53  ? -26.585 16.965 -8.138  1.000 23.845 0 93  ASN   A HB3  1 c 
ATOM   903  H HD21 . ASN   A 1 53  ? -28.788 19.676 -8.031  1.000 57.770 0 93  ASN   A HD21 1 c 
ATOM   904  H HD22 . ASN   A 1 53  ? -28.493 18.367 -7.294  1.000 57.770 0 93  ASN   A HD22 1 c 
ATOM   905  N N    . LEU   A 1 54  ? -24.068 18.059 -10.990 1.000 12.475 0 94  LEU   A N    1 ? 
ATOM   906  C CA   . LEU   A 1 54  ? -22.944 18.989 -11.032 1.000 12.607 0 94  LEU   A CA   1 ? 
ATOM   907  C C    . LEU   A 1 54  ? -23.044 19.830 -12.287 1.000 12.923 0 94  LEU   A C    1 ? 
ATOM   908  O O    . LEU   A 1 54  ? -22.275 19.703 -13.255 1.000 13.238 0 94  LEU   A O    1 ? 
ATOM   909  C CB   . LEU   A 1 54  ? -21.637 18.252 -11.010 1.000 11.975 0 94  LEU   A CB   1 ? 
ATOM   910  C CG   . LEU   A 1 54  ? -21.422 17.240 -9.885  1.000 13.107 0 94  LEU   A CG   1 ? 
ATOM   911  C CD1  . LEU   A 1 54  ? -20.108 16.542 -10.065 1.000 14.002 0 94  LEU   A CD1  1 ? 
ATOM   912  C CD2  . LEU   A 1 54  ? -21.507 17.871 -8.527  1.000 14.265 0 94  LEU   A CD2  1 ? 
ATOM   913  H H    . LEU   A 1 54  ? -24.208 17.420 -11.760 1.000 12.475 0 94  LEU   A H    1 c 
ATOM   914  H HA   . LEU   A 1 54  ? -22.999 19.581 -10.246 1.000 12.607 0 94  LEU   A HA   1 c 
ATOM   915  H HB2  . LEU   A 1 54  ? -21.539 17.774 -11.858 1.000 11.975 0 94  LEU   A HB2  1 c 
ATOM   916  H HB3  . LEU   A 1 54  ? -20.914 18.909 -10.957 1.000 11.975 0 94  LEU   A HB3  1 c 
ATOM   917  H HG   . LEU   A 1 54  ? -22.140 16.562 -9.941  1.000 13.107 0 94  LEU   A HG   1 c 
ATOM   918  H HD11 . LEU   A 1 54  ? -20.102 16.077 -10.919 1.000 14.002 0 94  LEU   A HD11 1 c 
ATOM   919  H HD12 . LEU   A 1 54  ? -19.980 15.901 -9.344  1.000 14.002 0 94  LEU   A HD12 1 c 
ATOM   920  H HD13 . LEU   A 1 54  ? -19.388 17.196 -10.048 1.000 14.002 0 94  LEU   A HD13 1 c 
ATOM   921  H HD21 . LEU   A 1 54  ? -20.826 18.561 -8.446  1.000 14.265 0 94  LEU   A HD21 1 c 
ATOM   922  H HD22 . LEU   A 1 54  ? -21.365 17.192 -7.844  1.000 14.265 0 94  LEU   A HD22 1 c 
ATOM   923  H HD23 . LEU   A 1 54  ? -22.387 18.270 -8.409  1.000 14.265 0 94  LEU   A HD23 1 c 
ATOM   924  N N    . PRO   A 1 55  ? -23.990 20.778 -12.296 1.000 14.923 0 95  PRO   A N    1 ? 
ATOM   925  C CA   . PRO   A 1 55  ? -24.218 21.541 -13.509 1.000 15.870 0 95  PRO   A CA   1 ? 
ATOM   926  C C    . PRO   A 1 55  ? -23.000 22.431 -13.907 1.000 14.975 0 95  PRO   A C    1 ? 
ATOM   927  O O    . PRO   A 1 55  ? -22.982 22.732 -15.061 1.000 16.870 0 95  PRO   A O    1 ? 
ATOM   928  C CB   . PRO   A 1 55  ? -25.433 22.441 -13.160 1.000 17.160 0 95  PRO   A CB   1 ? 
ATOM   929  C CG   . PRO   A 1 55  ? -25.428 22.503 -11.691 1.000 19.502 0 95  PRO   A CG   1 ? 
ATOM   930  C CD   . PRO   A 1 55  ? -24.905 21.186 -11.212 1.000 15.949 0 95  PRO   A CD   1 ? 
ATOM   931  H HA   . PRO   A 1 55  ? -24.424 20.920 -14.252 1.000 15.870 0 95  PRO   A HA   1 c 
ATOM   932  H HB2  . PRO   A 1 55  ? -25.335 23.333 -13.555 1.000 17.160 0 95  PRO   A HB2  1 c 
ATOM   933  H HB3  . PRO   A 1 55  ? -26.267 22.052 -13.498 1.000 17.160 0 95  PRO   A HB3  1 c 
ATOM   934  H HG2  . PRO   A 1 55  ? -24.855 23.232 -11.374 1.000 19.502 0 95  PRO   A HG2  1 c 
ATOM   935  H HG3  . PRO   A 1 55  ? -26.332 22.656 -11.345 1.000 19.502 0 95  PRO   A HG3  1 c 
ATOM   936  H HD2  . PRO   A 1 55  ? -24.439 21.286 -10.356 1.000 15.949 0 95  PRO   A HD2  1 c 
ATOM   937  H HD3  . PRO   A 1 55  ? -25.636 20.545 -11.087 1.000 15.949 0 95  PRO   A HD3  1 c 
ATOM   938  N N    . ASP   A 1 56  ? -22.087 22.773 -13.031 1.000 14.739 0 96  ASP   A N    1 ? 
ATOM   939  C CA   . ASP   A 1 56  ? -20.963 23.638 -13.429 1.000 17.160 0 96  ASP   A CA   1 ? 
ATOM   940  C C    . ASP   A 1 56  ? -19.742 22.812 -13.846 1.000 13.554 0 96  ASP   A C    1 ? 
ATOM   941  O O    . ASP   A 1 56  ? -18.814 23.425 -14.376 1.000 13.765 0 96  ASP   A O    1 ? 
ATOM   942  C CB   . ASP   A 1 56  ? -20.617 24.508 -12.213 1.000 35.215 0 96  ASP   A CB   1 ? 
ATOM   943  C CG   . ASP   A 1 56  ? -21.699 25.545 -11.951 1.000 48.427 0 96  ASP   A CG   1 ? 
ATOM   944  O OD1  . ASP   A 1 56  ? -22.298 26.018 -12.940 1.000 45.400 0 96  ASP   A OD1  1 ? 
ATOM   945  O OD2  . ASP   A 1 56  ? -21.951 25.855 -10.775 1.000 55.375 0 96  ASP   A OD2  1 ? 
ATOM   946  H H    . ASP   A 1 56  ? -22.144 22.448 -12.076 1.000 14.739 0 96  ASP   A H    1 c 
ATOM   947  H HA   . ASP   A 1 56  ? -21.243 24.176 -14.207 1.000 17.160 0 96  ASP   A HA   1 c 
ATOM   948  H HB2  . ASP   A 1 56  ? -20.537 23.928 -11.429 1.000 35.215 0 96  ASP   A HB2  1 c 
ATOM   949  H HB3  . ASP   A 1 56  ? -19.772 24.969 -12.392 1.000 35.215 0 96  ASP   A HB3  1 c 
ATOM   950  N N    . TYR   A 1 57  ? -19.766 21.473 -13.664 1.000 12.291 0 97  TYR   A N    1 ? 
ATOM   951  C CA   . TYR   A 1 57  ? -18.516 20.723 -13.807 1.000 10.396 0 97  TYR   A CA   1 ? 
ATOM   952  C C    . TYR   A 1 57  ? -17.920 20.898 -15.200 1.000 10.685 0 97  TYR   A C    1 ? 
ATOM   953  O O    . TYR   A 1 57  ? -16.746 21.248 -15.352 1.000 10.317 0 97  TYR   A O    1 ? 
ATOM   954  C CB   . TYR   A 1 57  ? -18.757 19.266 -13.485 1.000 10.370 0 97  TYR   A CB   1 ? 
ATOM   955  C CG   . TYR   A 1 57  ? -17.476 18.463 -13.488 1.000 10.028 0 97  TYR   A CG   1 ? 
ATOM   956  C CD1  . TYR   A 1 57  ? -16.683 18.424 -12.344 1.000 10.475 0 97  TYR   A CD1  1 ? 
ATOM   957  C CD2  . TYR   A 1 57  ? -17.049 17.812 -14.629 1.000 9.817  0 97  TYR   A CD2  1 ? 
ATOM   958  C CE1  . TYR   A 1 57  ? -15.464 17.784 -12.382 1.000 9.896  0 97  TYR   A CE1  1 ? 
ATOM   959  C CE2  . TYR   A 1 57  ? -15.808 17.185 -14.639 1.000 9.133  0 97  TYR   A CE2  1 ? 
ATOM   960  C CZ   . TYR   A 1 57  ? -15.015 17.143 -13.526 1.000 8.738  0 97  TYR   A CZ   1 ? 
ATOM   961  O OH   . TYR   A 1 57  ? -13.788 16.549 -13.598 1.000 9.317  0 97  TYR   A OH   1 ? 
ATOM   962  H H    . TYR   A 1 57  ? -20.615 20.976 -13.434 1.000 12.291 0 97  TYR   A H    1 c 
ATOM   963  H HA   . TYR   A 1 57  ? -17.859 21.076 -13.154 1.000 10.396 0 97  TYR   A HA   1 c 
ATOM   964  H HB2  . TYR   A 1 57  ? -19.190 19.210 -12.608 1.000 10.370 0 97  TYR   A HB2  1 c 
ATOM   965  H HB3  . TYR   A 1 57  ? -19.386 18.903 -14.143 1.000 10.370 0 97  TYR   A HB3  1 c 
ATOM   966  H HD1  . TYR   A 1 57  ? -16.955 18.901 -11.577 1.000 10.475 0 97  TYR   A HD1  1 c 
ATOM   967  H HD2  . TYR   A 1 57  ? -17.585 17.784 -15.404 1.000 9.817  0 97  TYR   A HD2  1 c 
ATOM   968  H HE1  . TYR   A 1 57  ? -14.921 17.753 -11.612 1.000 9.896  0 97  TYR   A HE1  1 c 
ATOM   969  H HE2  . TYR   A 1 57  ? -15.530 16.758 -15.433 1.000 9.133  0 97  TYR   A HE2  1 c 
ATOM   970  H HH   . TYR   A 1 57  ? -13.373 16.640 -12.852 0.000 9.317  0 97  TYR   A HH   1 c 
ATOM   971  N N    . TYR   A 1 58  ? -18.693 20.643 -16.248 1.000 10.817 0 98  TYR   A N    1 ? 
ATOM   972  C CA   . TYR   A 1 58  ? -18.196 20.696 -17.623 1.000 10.817 0 98  TYR   A CA   1 ? 
ATOM   973  C C    . TYR   A 1 58  ? -18.150 22.102 -18.149 1.000 11.817 0 98  TYR   A C    1 ? 
ATOM   974  O O    . TYR   A 1 58  ? -17.631 22.321 -19.247 1.000 14.318 0 98  TYR   A O    1 ? 
ATOM   975  C CB   . TYR   A 1 58  ? -18.938 19.683 -18.477 1.000 11.133 0 98  TYR   A CB   1 ? 
ATOM   976  C CG   . TYR   A 1 58  ? -18.579 18.260 -18.171 1.000 10.238 0 98  TYR   A CG   1 ? 
ATOM   977  C CD1  . TYR   A 1 58  ? -17.275 17.809 -18.383 1.000 10.633 0 98  TYR   A CD1  1 ? 
ATOM   978  C CD2  . TYR   A 1 58  ? -19.466 17.428 -17.528 1.000 11.265 0 98  TYR   A CD2  1 ? 
ATOM   979  C CE1  . TYR   A 1 58  ? -16.915 16.512 -18.019 1.000 9.870  0 98  TYR   A CE1  1 ? 
ATOM   980  C CE2  . TYR   A 1 58  ? -19.123 16.107 -17.225 1.000 11.080 0 98  TYR   A CE2  1 ? 
ATOM   981  C CZ   . TYR   A 1 58  ? -17.835 15.643 -17.446 1.000 10.106 0 98  TYR   A CZ   1 ? 
ATOM   982  O OH   . TYR   A 1 58  ? -17.380 14.382 -17.173 1.000 10.764 0 98  TYR   A OH   1 ? 
ATOM   983  H H    . TYR   A 1 58  ? -19.660 20.404 -16.083 1.000 10.817 0 98  TYR   A H    1 c 
ATOM   984  H HA   . TYR   A 1 58  ? -17.269 20.346 -17.638 1.000 10.817 0 98  TYR   A HA   1 c 
ATOM   985  H HB2  . TYR   A 1 58  ? -19.900 19.812 -18.345 1.000 11.133 0 98  TYR   A HB2  1 c 
ATOM   986  H HB3  . TYR   A 1 58  ? -18.746 19.872 -19.419 1.000 11.133 0 98  TYR   A HB3  1 c 
ATOM   987  H HD1  . TYR   A 1 58  ? -16.628 18.408 -18.719 1.000 10.633 0 98  TYR   A HD1  1 c 
ATOM   988  H HD2  . TYR   A 1 58  ? -20.319 17.749 -17.286 1.000 11.265 0 98  TYR   A HD2  1 c 
ATOM   989  H HE1  . TYR   A 1 58  ? -16.034 16.207 -18.162 1.000 9.870  0 98  TYR   A HE1  1 c 
ATOM   990  H HE2  . TYR   A 1 58  ? -19.769 15.539 -16.837 1.000 11.080 0 98  TYR   A HE2  1 c 
ATOM   991  H HH   . TYR   A 1 58  ? -16.557 14.310 -17.406 0.000 10.764 0 98  TYR   A HH   1 c 
ATOM   992  N N    . LYS   A 1 59  ? -18.640 23.083 -17.427 1.000 12.765 0 99  LYS   A N    1 ? 
ATOM   993  C CA   . LYS   A 1 59  ? -18.308 24.510 -17.709 1.000 14.107 0 99  LYS   A CA   1 ? 
ATOM   994  C C    . LYS   A 1 59  ? -16.898 24.866 -17.248 1.000 14.028 0 99  LYS   A C    1 ? 
ATOM   995  O O    . LYS   A 1 59  ? -16.268 25.748 -17.797 1.000 19.844 0 99  LYS   A O    1 ? 
ATOM   996  C CB   . LYS   A 1 59  ? -19.347 25.433 -17.089 1.000 15.765 0 99  LYS   A CB   1 ? 
ATOM   997  C CG   . LYS   A 1 59  ? -20.756 25.192 -17.631 1.000 17.476 0 99  LYS   A CG   1 ? 
ATOM   998  C CD   . LYS   A 1 59  ? -21.887 26.076 -17.022 1.000 19.318 0 99  LYS   A CD   1 ? 
ATOM   999  C CE   . LYS   A 1 59  ? -23.379 25.654 -17.313 1.000 20.081 0 99  LYS   A CE   1 ? 
ATOM   1000 N NZ   . LYS   A 1 59  ? -24.436 26.431 -16.671 1.000 25.977 0 99  LYS   A NZ   1 ? 
ATOM   1001 H H    . LYS   A 1 59  ? -19.259 22.864 -16.660 1.000 12.765 0 99  LYS   A H    1 c 
ATOM   1002 H HA   . LYS   A 1 59  ? -18.348 24.653 -18.683 1.000 14.107 0 99  LYS   A HA   1 c 
ATOM   1003 H HB2  . LYS   A 1 59  ? -19.337 25.306 -16.117 1.000 15.765 0 99  LYS   A HB2  1 c 
ATOM   1004 H HB3  . LYS   A 1 59  ? -19.079 26.361 -17.256 1.000 15.765 0 99  LYS   A HB3  1 c 
ATOM   1005 H HG2  . LYS   A 1 59  ? -20.750 25.351 -18.599 1.000 17.476 0 99  LYS   A HG2  1 c 
ATOM   1006 H HG3  . LYS   A 1 59  ? -20.998 24.255 -17.469 1.000 17.476 0 99  LYS   A HG3  1 c 
ATOM   1007 H HD2  . LYS   A 1 59  ? -21.788 26.095 -16.046 1.000 19.318 0 99  LYS   A HD2  1 c 
ATOM   1008 H HD3  . LYS   A 1 59  ? -21.788 26.995 -17.351 1.000 19.318 0 99  LYS   A HD3  1 c 
ATOM   1009 H HE2  . LYS   A 1 59  ? -23.552 25.706 -18.272 1.000 20.081 0 99  LYS   A HE2  1 c 
ATOM   1010 H HE3  . LYS   A 1 59  ? -23.518 24.729 -17.033 1.000 20.081 0 99  LYS   A HE3  1 c 
ATOM   1011 H HZ1  . LYS   A 1 59  ? -24.346 26.386 -15.770 1.000 25.977 0 99  LYS   A HZ1  1 c 
ATOM   1012 H HZ2  . LYS   A 1 59  ? -25.247 26.103 -16.911 1.000 25.977 0 99  LYS   A HZ2  1 c 
ATOM   1013 H HZ3  . LYS   A 1 59  ? -24.380 27.298 -16.930 1.000 25.977 0 99  LYS   A HZ3  1 c 
ATOM   1014 N N    . ILE   A 1 60  ? -16.472 24.302 -16.183 1.000 11.817 0 100 ILE   A N    1 ? 
ATOM   1015 C CA   . ILE   A 1 60  ? -15.183 24.601 -15.570 1.000 12.212 0 100 ILE   A CA   1 ? 
ATOM   1016 C C    . ILE   A 1 60  ? -14.093 23.734 -16.218 1.000 11.686 0 100 ILE   A C    1 ? 
ATOM   1017 O O    . ILE   A 1 60  ? -13.011 24.175 -16.488 1.000 15.081 0 100 ILE   A O    1 ? 
ATOM   1018 C CB   . ILE   A 1 60  ? -15.296 24.416 -14.061 1.000 12.659 0 100 ILE   A CB   1 ? 
ATOM   1019 C CG1  . ILE   A 1 60  ? -16.279 25.461 -13.494 1.000 15.318 0 100 ILE   A CG1  1 ? 
ATOM   1020 C CG2  . ILE   A 1 60  ? -13.934 24.515 -13.388 1.000 14.186 0 100 ILE   A CG2  1 ? 
ATOM   1021 C CD1  . ILE   A 1 60  ? -16.738 25.202 -12.071 1.000 17.239 0 100 ILE   A CD1  1 ? 
ATOM   1022 H H    . ILE   A 1 60  ? -17.073 23.613 -15.754 1.000 11.817 0 100 ILE   A H    1 c 
ATOM   1023 H HA   . ILE   A 1 60  ? -14.970 25.536 -15.742 1.000 12.212 0 100 ILE   A HA   1 c 
ATOM   1024 H HB   . ILE   A 1 60  ? -15.639 23.503 -13.900 1.000 12.659 0 100 ILE   A HB   1 c 
ATOM   1025 H HG12 . ILE   A 1 60  ? -15.851 26.343 -13.522 1.000 15.318 0 100 ILE   A HG12 1 c 
ATOM   1026 H HG13 . ILE   A 1 60  ? -17.072 25.493 -14.071 1.000 15.318 0 100 ILE   A HG13 1 c 
ATOM   1027 H HG21 . ILE   A 1 60  ? -13.345 23.824 -13.738 1.000 14.186 0 100 ILE   A HG21 1 c 
ATOM   1028 H HG22 . ILE   A 1 60  ? -14.033 24.391 -12.428 1.000 14.186 0 100 ILE   A HG22 1 c 
ATOM   1029 H HG23 . ILE   A 1 60  ? -13.545 25.390 -13.563 1.000 14.186 0 100 ILE   A HG23 1 c 
ATOM   1030 H HD11 . ILE   A 1 60  ? -17.190 24.342 -12.026 1.000 17.239 0 100 ILE   A HD11 1 c 
ATOM   1031 H HD12 . ILE   A 1 60  ? -17.352 25.904 -11.794 1.000 17.239 0 100 ILE   A HD12 1 c 
ATOM   1032 H HD13 . ILE   A 1 60  ? -15.968 25.193 -11.477 1.000 17.239 0 100 ILE   A HD13 1 c 
ATOM   1033 N N    . ILE   A 1 61  ? -14.385 22.447 -16.393 1.000 11.291 0 101 ILE   A N    1 ? 
ATOM   1034 C CA   . ILE   A 1 61  ? -13.399 21.485 -16.915 1.000 10.133 0 101 ILE   A CA   1 ? 
ATOM   1035 C C    . ILE   A 1 61  ? -13.476 21.541 -18.439 1.000 12.712 0 101 ILE   A C    1 ? 
ATOM   1036 O O    . ILE   A 1 61  ? -14.477 21.207 -19.038 1.000 18.371 0 101 ILE   A O    1 ? 
ATOM   1037 C CB   . ILE   A 1 61  ? -13.713 20.100 -16.349 1.000 10.607 0 101 ILE   A CB   1 ? 
ATOM   1038 C CG1  . ILE   A 1 61  ? -13.500 20.138 -14.790 1.000 14.502 0 101 ILE   A CG1  1 ? 
ATOM   1039 C CG2  . ILE   A 1 61  ? -12.943 19.033 -17.105 1.000 13.449 0 101 ILE   A CG2  1 ? 
ATOM   1040 C CD1  . ILE   A 1 61  ? -12.238 20.891 -14.325 1.000 13.081 0 101 ILE   A CD1  1 ? 
ATOM   1041 H H    . ILE   A 1 61  ? -15.313 22.123 -16.159 1.000 11.291 0 101 ILE   A H    1 c 
ATOM   1042 H HA   . ILE   A 1 61  ? -12.512 21.767 -16.628 1.000 10.133 0 101 ILE   A HA   1 c 
ATOM   1043 H HB   . ILE   A 1 61  ? -14.678 19.934 -16.491 1.000 10.607 0 101 ILE   A HB   1 c 
ATOM   1044 H HG12 . ILE   A 1 61  ? -14.281 20.564 -14.376 1.000 14.502 0 101 ILE   A HG12 1 c 
ATOM   1045 H HG13 . ILE   A 1 61  ? -13.447 19.217 -14.457 1.000 14.502 0 101 ILE   A HG13 1 c 
ATOM   1046 H HG21 . ILE   A 1 61  ? -13.194 19.052 -18.045 1.000 13.449 0 101 ILE   A HG21 1 c 
ATOM   1047 H HG22 . ILE   A 1 61  ? -13.152 18.156 -16.738 1.000 13.449 0 101 ILE   A HG22 1 c 
ATOM   1048 H HG23 . ILE   A 1 61  ? -11.988 19.198 -17.022 1.000 13.449 0 101 ILE   A HG23 1 c 
ATOM   1049 H HD11 . ILE   A 1 61  ? -11.448 20.468 -14.704 1.000 13.081 0 101 ILE   A HD11 1 c 
ATOM   1050 H HD12 . ILE   A 1 61  ? -12.183 20.866 -13.354 1.000 13.081 0 101 ILE   A HD12 1 c 
ATOM   1051 H HD13 . ILE   A 1 61  ? -12.282 21.816 -14.623 1.000 13.081 0 101 ILE   A HD13 1 c 
ATOM   1052 N N    . LYS   A 1 62  ? -12.347 21.913 -19.034 1.000 12.238 0 102 LYS   A N    1 ? 
ATOM   1053 C CA   . LYS   A 1 62  ? -12.211 22.007 -20.500 1.000 14.370 0 102 LYS   A CA   1 ? 
ATOM   1054 C C    . LYS   A 1 62  ? -11.867 20.681 -21.174 1.000 12.107 0 102 LYS   A C    1 ? 
ATOM   1055 O O    . LYS   A 1 62  ? -12.255 20.495 -22.300 1.000 13.817 0 102 LYS   A O    1 ? 
ATOM   1056 C CB   . LYS   A 1 62  ? -11.159 23.063 -20.872 1.000 17.713 0 102 LYS   A CB   1 ? 
ATOM   1057 C CG   . LYS   A 1 62  ? -11.359 24.391 -20.210 1.000 22.766 0 102 LYS   A CG   1 ? 
ATOM   1058 C CD   . LYS   A 1 62  ? -12.551 25.120 -20.684 1.000 29.398 0 102 LYS   A CD   1 ? 
ATOM   1059 C CE   . LYS   A 1 62  ? -12.569 26.559 -20.187 1.000 35.241 0 102 LYS   A CE   1 ? 
ATOM   1060 N NZ   . LYS   A 1 62  ? -13.577 26.809 -19.118 1.000 39.636 0 102 LYS   A NZ   1 ? 
ATOM   1061 H H    . LYS   A 1 62  ? -11.554 22.139 -18.450 1.000 12.238 0 102 LYS   A H    1 c 
ATOM   1062 H HA   . LYS   A 1 62  ? -13.074 22.298 -20.876 1.000 14.370 0 102 LYS   A HA   1 c 
ATOM   1063 H HB2  . LYS   A 1 62  ? -10.273 22.716 -20.638 1.000 17.713 0 102 LYS   A HB2  1 c 
ATOM   1064 H HB3  . LYS   A 1 62  ? -11.168 23.183 -21.845 1.000 17.713 0 102 LYS   A HB3  1 c 
ATOM   1065 H HG2  . LYS   A 1 62  ? -11.444 24.249 -19.243 1.000 22.766 0 102 LYS   A HG2  1 c 
ATOM   1066 H HG3  . LYS   A 1 62  ? -10.567 24.946 -20.376 1.000 22.766 0 102 LYS   A HG3  1 c 
ATOM   1067 H HD2  . LYS   A 1 62  ? -12.562 25.112 -21.665 1.000 29.398 0 102 LYS   A HD2  1 c 
ATOM   1068 H HD3  . LYS   A 1 62  ? -13.356 24.655 -20.371 1.000 29.398 0 102 LYS   A HD3  1 c 
ATOM   1069 H HE2  . LYS   A 1 62  ? -11.690 26.794 -19.834 1.000 35.241 0 102 LYS   A HE2  1 c 
ATOM   1070 H HE3  . LYS   A 1 62  ? -12.763 27.160 -20.931 1.000 35.241 0 102 LYS   A HE3  1 c 
ATOM   1071 H HZ1  . LYS   A 1 62  ? -14.408 26.620 -19.429 1.000 39.636 0 102 LYS   A HZ1  1 c 
ATOM   1072 H HZ2  . LYS   A 1 62  ? -13.541 27.678 -18.860 1.000 39.636 0 102 LYS   A HZ2  1 c 
ATOM   1073 H HZ3  . LYS   A 1 62  ? -13.403 26.280 -18.402 1.000 39.636 0 102 LYS   A HZ3  1 c 
ATOM   1074 N N    . THR   A 1 63  ? -11.147 19.823 -20.477 1.000 10.712 0 103 THR   A N    1 ? 
ATOM   1075 C CA   . THR   A 1 63  ? -10.651 18.548 -21.037 1.000 10.396 0 103 THR   A CA   1 ? 
ATOM   1076 C C    . THR   A 1 63  ? -11.012 17.479 -20.022 1.000 9.580  0 103 THR   A C    1 ? 
ATOM   1077 O O    . THR   A 1 63  ? -10.231 17.189 -19.120 1.000 9.396  0 103 THR   A O    1 ? 
ATOM   1078 C CB   . THR   A 1 63  ? -9.134  18.592 -21.286 1.000 11.922 0 103 THR   A CB   1 ? 
ATOM   1079 O OG1  . THR   A 1 63  ? -8.836  19.731 -22.094 1.000 15.712 0 103 THR   A OG1  1 ? 
ATOM   1080 C CG2  . THR   A 1 63  ? -8.712  17.290 -21.905 1.000 13.975 0 103 THR   A CG2  1 ? 
ATOM   1081 H H    . THR   A 1 63  ? -10.930 20.057 -19.519 1.000 10.712 0 103 THR   A H    1 c 
ATOM   1082 H HA   . THR   A 1 63  ? -11.125 18.383 -21.889 1.000 10.396 0 103 THR   A HA   1 c 
ATOM   1083 H HB   . THR   A 1 63  ? -8.681  18.734 -20.418 1.000 11.922 0 103 THR   A HB   1 c 
ATOM   1084 H HG1  . THR   A 1 63  ? -8.010  19.766 -22.237 0.000 15.712 0 103 THR   A HG1  1 c 
ATOM   1085 H HG21 . THR   A 1 63  ? -8.929  16.546 -21.291 1.000 13.975 0 103 THR   A HG21 1 c 
ATOM   1086 H HG22 . THR   A 1 63  ? -7.737  17.303 -22.071 1.000 13.975 0 103 THR   A HG22 1 c 
ATOM   1087 H HG23 . THR   A 1 63  ? -9.189  17.160 -22.761 1.000 13.975 0 103 THR   A HG23 1 c 
ATOM   1088 N N    . PRO   A 1 64  ? -12.160 16.840 -20.191 1.000 9.764  0 104 PRO   A N    1 ? 
ATOM   1089 C CA   . PRO   A 1 64  ? -12.549 15.738 -19.321 1.000 10.580 0 104 PRO   A CA   1 ? 
ATOM   1090 C C    . PRO   A 1 64  ? -11.492 14.648 -19.346 1.000 9.054  0 104 PRO   A C    1 ? 
ATOM   1091 O O    . PRO   A 1 64  ? -11.010 14.309 -20.430 1.000 9.501  0 104 PRO   A O    1 ? 
ATOM   1092 C CB   . PRO   A 1 64  ? -13.856 15.273 -19.950 1.000 12.159 0 104 PRO   A CB   1 ? 
ATOM   1093 C CG   . PRO   A 1 64  ? -14.391 16.497 -20.613 1.000 13.159 0 104 PRO   A CG   1 ? 
ATOM   1094 C CD   . PRO   A 1 64  ? -13.165 17.144 -21.217 1.000 11.607 0 104 PRO   A CD   1 ? 
ATOM   1095 H HA   . PRO   A 1 64  ? -12.677 16.078 -18.400 1.000 10.580 0 104 PRO   A HA   1 c 
ATOM   1096 H HB2  . PRO   A 1 64  ? -13.699 14.554 -20.597 1.000 12.159 0 104 PRO   A HB2  1 c 
ATOM   1097 H HB3  . PRO   A 1 64  ? -14.473 14.935 -19.268 1.000 12.159 0 104 PRO   A HB3  1 c 
ATOM   1098 H HG2  . PRO   A 1 64  ? -15.051 16.262 -21.298 1.000 13.159 0 104 PRO   A HG2  1 c 
ATOM   1099 H HG3  . PRO   A 1 64  ? -14.826 17.085 -19.961 1.000 13.159 0 104 PRO   A HG3  1 c 
ATOM   1100 H HD2  . PRO   A 1 64  ? -12.956 16.749 -22.089 1.000 11.607 0 104 PRO   A HD2  1 c 
ATOM   1101 H HD3  . PRO   A 1 64  ? -13.305 18.105 -21.345 1.000 11.607 0 104 PRO   A HD3  1 c 
ATOM   1102 N N    . MET   A 1 65  ? -11.194 14.021 -18.191 1.000 8.422  0 105 MET   A N    1 ? 
ATOM   1103 C CA   . MET   A 1 65  ? -10.348 12.832 -18.230 1.000 7.659  0 105 MET   A CA   1 ? 
ATOM   1104 C C    . MET   A 1 65  ? -10.547 12.057 -16.951 1.000 7.869  0 105 MET   A C    1 ? 
ATOM   1105 O O    . MET   A 1 65  ? -10.857 12.596 -15.880 1.000 9.606  0 105 MET   A O    1 ? 
ATOM   1106 C CB   . MET   A 1 65  ? -8.881  13.233 -18.390 1.000 8.212  0 105 MET   A CB   1 ? 
ATOM   1107 C CG   . MET   A 1 65  ? -7.947  12.087 -18.661 1.000 8.843  0 105 MET   A CG   1 ? 
ATOM   1108 S SD   . MET   A 1 65  ? -8.446  10.930 -19.979 1.000 8.817  0 105 MET   A SD   1 ? 
ATOM   1109 C CE   . MET   A 1 65  ? -8.664  12.034 -21.355 1.000 10.554 0 105 MET   A CE   1 ? 
ATOM   1110 H H    . MET   A 1 65  ? -11.539 14.351 -17.301 1.000 8.422  0 105 MET   A H    1 c 
ATOM   1111 H HA   . MET   A 1 65  ? -10.628 12.274 -18.992 1.000 7.659  0 105 MET   A HA   1 c 
ATOM   1112 H HB2  . MET   A 1 65  ? -8.810  13.871 -19.128 1.000 8.212  0 105 MET   A HB2  1 c 
ATOM   1113 H HB3  . MET   A 1 65  ? -8.589  13.683 -17.572 1.000 8.212  0 105 MET   A HB3  1 c 
ATOM   1114 H HG2  . MET   A 1 65  ? -7.067  12.440 -18.911 1.000 8.843  0 105 MET   A HG2  1 c 
ATOM   1115 H HG3  . MET   A 1 65  ? -7.840  11.557 -17.842 1.000 8.843  0 105 MET   A HG3  1 c 
ATOM   1116 H HE1  . MET   A 1 65  ? -8.934  11.532 -22.128 1.000 10.554 0 105 MET   A HE1  1 c 
ATOM   1117 H HE2  . MET   A 1 65  ? -9.340  12.681 -21.141 1.000 10.554 0 105 MET   A HE2  1 c 
ATOM   1118 H HE3  . MET   A 1 65  ? -7.832  12.486 -21.539 1.000 10.554 0 105 MET   A HE3  1 c 
ATOM   1119 N N    . ASP   A 1 66  ? -10.348 10.738 -17.053 1.000 8.133  0 106 ASP   A N    1 ? 
ATOM   1120 C CA   . ASP   A 1 66  ? -10.569 9.814  -15.943 1.000 7.685  0 106 ASP   A CA   1 ? 
ATOM   1121 C C    . ASP   A 1 66  ? -9.749  8.556  -16.215 1.000 6.948  0 106 ASP   A C    1 ? 
ATOM   1122 O O    . ASP   A 1 66  ? -9.322  8.319  -17.345 1.000 7.317  0 106 ASP   A O    1 ? 
ATOM   1123 C CB   . ASP   A 1 66  ? -12.061 9.491  -15.815 1.000 8.633  0 106 ASP   A CB   1 ? 
ATOM   1124 C CG   . ASP   A 1 66  ? -12.527 8.700  -17.022 1.000 8.475  0 106 ASP   A CG   1 ? 
ATOM   1125 O OD1  . ASP   A 1 66  ? -12.783 9.338  -18.092 1.000 9.370  0 106 ASP   A OD1  1 ? 
ATOM   1126 O OD2  . ASP   A 1 66  ? -12.543 7.457  -16.942 1.000 8.764  0 106 ASP   A OD2  1 ? 
ATOM   1127 H H    . ASP   A 1 66  ? -10.031 10.375 -17.940 1.000 8.133  0 106 ASP   A H    1 c 
ATOM   1128 H HA   . ASP   A 1 66  ? -10.252 10.241 -15.113 1.000 7.685  0 106 ASP   A HA   1 c 
ATOM   1129 H HB2  . ASP   A 1 66  ? -12.195 8.959  -15.004 1.000 8.633  0 106 ASP   A HB2  1 c 
ATOM   1130 H HB3  . ASP   A 1 66  ? -12.558 10.333 -15.765 1.000 8.633  0 106 ASP   A HB3  1 c 
ATOM   1131 N N    . MET   A 1 67  ? -9.574  7.737  -15.190 1.000 7.290  0 107 MET   A N    1 ? 
ATOM   1132 C CA   . MET   A 1 67  ? -8.761  6.519  -15.342 1.000 7.948  0 107 MET   A CA   1 ? 
ATOM   1133 C C    . MET   A 1 67  ? -9.451  5.445  -16.116 1.000 7.869  0 107 MET   A C    1 ? 
ATOM   1134 O O    . MET   A 1 67  ? -8.753  4.574  -16.652 1.000 8.554  0 107 MET   A O    1 ? 
ATOM   1135 C CB   . MET   A 1 67  ? -8.359  5.939  -13.998 1.000 8.475  0 107 MET   A CB   1 ? 
ATOM   1136 C CG   . MET   A 1 67  ? -7.412  6.801  -13.209 1.000 10.343 0 107 MET   A CG   1 ? 
ATOM   1137 S SD   . MET   A 1 67  ? -6.431  5.944  -11.971 1.000 10.264 0 107 MET   A SD   1 ? 
ATOM   1138 C CE   . MET   A 1 67  ? -7.702  5.318  -10.896 1.000 11.686 0 107 MET   A CE   1 ? 
ATOM   1139 H H    . MET   A 1 67  ? -9.996  7.939  -14.295 1.000 7.290  0 107 MET   A H    1 c 
ATOM   1140 H HA   . MET   A 1 67  ? -7.942  6.750  -15.839 1.000 7.948  0 107 MET   A HA   1 c 
ATOM   1141 H HB2  . MET   A 1 67  ? -9.166  5.796  -13.465 1.000 8.475  0 107 MET   A HB2  1 c 
ATOM   1142 H HB3  . MET   A 1 67  ? -7.937  5.069  -14.146 1.000 8.475  0 107 MET   A HB3  1 c 
ATOM   1143 H HG2  . MET   A 1 67  ? -6.786  7.240  -13.824 1.000 10.343 0 107 MET   A HG2  1 c 
ATOM   1144 H HG3  . MET   A 1 67  ? -7.922  7.499  -12.745 1.000 10.343 0 107 MET   A HG3  1 c 
ATOM   1145 H HE1  . MET   A 1 67  ? -7.298  4.828  -10.176 1.000 11.686 0 107 MET   A HE1  1 c 
ATOM   1146 H HE2  . MET   A 1 67  ? -8.209  6.051  -10.541 1.000 11.686 0 107 MET   A HE2  1 c 
ATOM   1147 H HE3  . MET   A 1 67  ? -8.286  4.734  -11.395 1.000 11.686 0 107 MET   A HE3  1 c 
ATOM   1148 N N    . GLY   A 1 68  ? -10.790 5.421  -16.190 1.000 8.106  0 108 GLY   A N    1 ? 
ATOM   1149 C CA   . GLY   A 1 68  ? -11.424 4.436  -17.054 1.000 9.159  0 108 GLY   A CA   1 ? 
ATOM   1150 C C    . GLY   A 1 68  ? -11.065 4.678  -18.504 1.000 8.027  0 108 GLY   A C    1 ? 
ATOM   1151 O O    . GLY   A 1 68  ? -10.753 3.722  -19.265 1.000 9.054  0 108 GLY   A O    1 ? 
ATOM   1152 H H    . GLY   A 1 68  ? -11.327 6.031  -15.590 1.000 8.106  0 108 GLY   A H    1 c 
ATOM   1153 H HA2  . GLY   A 1 68  ? -11.130 3.531  -16.782 1.000 9.159  0 108 GLY   A HA2  1 c 
ATOM   1154 H HA3  . GLY   A 1 68  ? -12.406 4.488  -16.938 1.000 9.159  0 108 GLY   A HA3  1 c 
ATOM   1155 N N    . THR   A 1 69  ? -11.106 5.934  -18.920 1.000 7.738  0 109 THR   A N    1 ? 
ATOM   1156 C CA   . THR   A 1 69  ? -10.697 6.322  -20.269 1.000 7.896  0 109 THR   A CA   1 ? 
ATOM   1157 C C    . THR   A 1 69  ? -9.223  5.984  -20.482 1.000 7.132  0 109 THR   A C    1 ? 
ATOM   1158 O O    . THR   A 1 69  ? -8.871  5.413  -21.535 1.000 7.790  0 109 THR   A O    1 ? 
ATOM   1159 C CB   . THR   A 1 69  ? -10.942 7.809  -20.455 1.000 7.922  0 109 THR   A CB   1 ? 
ATOM   1160 O OG1  . THR   A 1 69  ? -12.349 8.066  -20.373 1.000 9.185  0 109 THR   A OG1  1 ? 
ATOM   1161 C CG2  . THR   A 1 69  ? -10.415 8.305  -21.779 1.000 9.238  0 109 THR   A CG2  1 ? 
ATOM   1162 H H    . THR   A 1 69  ? -11.431 6.645  -18.281 1.000 7.738  0 109 THR   A H    1 c 
ATOM   1163 H HA   . THR   A 1 69  ? -11.233 5.798  -20.914 1.000 7.896  0 109 THR   A HA   1 c 
ATOM   1164 H HB   . THR   A 1 69  ? -10.488 8.292  -19.721 1.000 7.922  0 109 THR   A HB   1 c 
ATOM   1165 H HG1  . THR   A 1 69  ? -12.492 8.886  -20.475 0.000 9.185  0 109 THR   A HG1  1 c 
ATOM   1166 H HG21 . THR   A 1 69  ? -9.440  8.145  -21.828 1.000 9.238  0 109 THR   A HG21 1 c 
ATOM   1167 H HG22 . THR   A 1 69  ? -10.591 9.274  -21.863 1.000 9.238  0 109 THR   A HG22 1 c 
ATOM   1168 H HG23 . THR   A 1 69  ? -10.865 7.823  -22.516 1.000 9.238  0 109 THR   A HG23 1 c 
ATOM   1169 N N    . ILE   A 1 70  ? -8.354  6.308  -19.532 1.000 6.975  0 110 ILE   A N    1 ? 
ATOM   1170 C CA   . ILE   A 1 70  ? -6.929  6.004  -19.681 1.000 6.975  0 110 ILE   A CA   1 ? 
ATOM   1171 C C    . ILE   A 1 70  ? -6.705  4.507  -19.800 1.000 7.080  0 110 ILE   A C    1 ? 
ATOM   1172 O O    . ILE   A 1 70  ? -5.922  4.031  -20.634 1.000 7.422  0 110 ILE   A O    1 ? 
ATOM   1173 C CB   . ILE   A 1 70  ? -6.129  6.603  -18.503 1.000 7.185  0 110 ILE   A CB   1 ? 
ATOM   1174 C CG1  . ILE   A 1 70  ? -6.163  8.114  -18.569 1.000 7.448  0 110 ILE   A CG1  1 ? 
ATOM   1175 C CG2  . ILE   A 1 70  ? -4.697  6.061  -18.521 1.000 8.317  0 110 ILE   A CG2  1 ? 
ATOM   1176 C CD1  . ILE   A 1 70  ? -5.671  8.802  -17.292 1.000 7.975  0 110 ILE   A CD1  1 ? 
ATOM   1177 H H    . ILE   A 1 70  ? -8.674  6.770  -18.693 1.000 6.975  0 110 ILE   A H    1 c 
ATOM   1178 H HA   . ILE   A 1 70  ? -6.612  6.415  -20.505 1.000 6.975  0 110 ILE   A HA   1 c 
ATOM   1179 H HB   . ILE   A 1 70  ? -6.561  6.299  -17.667 1.000 7.185  0 110 ILE   A HB   1 c 
ATOM   1180 H HG12 . ILE   A 1 70  ? -5.606  8.409  -19.321 1.000 7.448  0 110 ILE   A HG12 1 c 
ATOM   1181 H HG13 . ILE   A 1 70  ? -7.084  8.400  -18.747 1.000 7.448  0 110 ILE   A HG13 1 c 
ATOM   1182 H HG21 . ILE   A 1 70  ? -4.713  5.092  -18.435 1.000 8.317  0 110 ILE   A HG21 1 c 
ATOM   1183 H HG22 . ILE   A 1 70  ? -4.195  6.437  -17.777 1.000 8.317  0 110 ILE   A HG22 1 c 
ATOM   1184 H HG23 . ILE   A 1 70  ? -4.265  6.305  -19.358 1.000 8.317  0 110 ILE   A HG23 1 c 
ATOM   1185 H HD11 . ILE   A 1 70  ? -6.230  8.535  -16.542 1.000 7.975  0 110 ILE   A HD11 1 c 
ATOM   1186 H HD12 . ILE   A 1 70  ? -5.719  9.767  -17.403 1.000 7.975  0 110 ILE   A HD12 1 c 
ATOM   1187 H HD13 . ILE   A 1 70  ? -4.750  8.543  -17.117 1.000 7.975  0 110 ILE   A HD13 1 c 
ATOM   1188 N N    . LYS   A 1 71  ? -7.394  3.703  -18.943 1.000 7.632  0 111 LYS   A N    1 ? 
ATOM   1189 C CA   . LYS   A 1 71  ? -7.297  2.251  -18.992 1.000 7.869  0 111 LYS   A CA   1 ? 
ATOM   1190 C C    . LYS   A 1 71  ? -7.663  1.739  -20.371 1.000 8.159  0 111 LYS   A C    1 ? 
ATOM   1191 O O    . LYS   A 1 71  ? -6.923  0.919  -20.962 1.000 8.817  0 111 LYS   A O    1 ? 
ATOM   1192 C CB   . LYS   A 1 71  ? -8.190  1.662  -17.904 1.000 8.843  0 111 LYS   A CB   1 ? 
ATOM   1193 C CG   . LYS   A 1 71  ? -8.174  0.151  -17.845 1.000 10.712 0 111 LYS   A CG   1 ? 
ATOM   1194 C CD   . LYS   A 1 71  ? -8.945  -0.356 -16.608 1.000 12.765 0 111 LYS   A CD   1 ? 
ATOM   1195 C CE   . LYS   A 1 71  ? -8.924  -1.821 -16.317 1.000 17.634 0 111 LYS   A CE   1 ? 
ATOM   1196 N NZ   . LYS   A 1 71  ? -9.671  -2.511 -17.378 1.000 24.292 0 111 LYS   A NZ   1 ? 
ATOM   1197 H H    . LYS   A 1 71  ? -7.991  4.134  -18.252 1.000 7.632  0 111 LYS   A H    1 c 
ATOM   1198 H HA   . LYS   A 1 71  ? -6.365  1.994  -18.806 1.000 7.869  0 111 LYS   A HA   1 c 
ATOM   1199 H HB2  . LYS   A 1 71  ? -7.906  2.023  -17.038 1.000 8.843  0 111 LYS   A HB2  1 c 
ATOM   1200 H HB3  . LYS   A 1 71  ? -9.108  1.971  -18.053 1.000 8.843  0 111 LYS   A HB3  1 c 
ATOM   1201 H HG2  . LYS   A 1 71  ? -8.584  -0.199 -18.665 1.000 10.712 0 111 LYS   A HG2  1 c 
ATOM   1202 H HG3  . LYS   A 1 71  ? -7.241  -0.151 -17.808 1.000 10.712 0 111 LYS   A HG3  1 c 
ATOM   1203 H HD2  . LYS   A 1 71  ? -8.592  0.087  -15.807 1.000 12.765 0 111 LYS   A HD2  1 c 
ATOM   1204 H HD3  . LYS   A 1 71  ? -9.890  -0.108 -16.696 1.000 12.765 0 111 LYS   A HD3  1 c 
ATOM   1205 H HE2  . LYS   A 1 71  ? -8.000  -2.135 -16.284 1.000 17.634 0 111 LYS   A HE2  1 c 
ATOM   1206 H HE3  . LYS   A 1 71  ? -9.329  -1.987 -15.444 1.000 17.634 0 111 LYS   A HE3  1 c 
ATOM   1207 H HZ1  . LYS   A 1 71  ? -10.526 -2.209 -17.397 1.000 24.292 0 111 LYS   A HZ1  1 c 
ATOM   1208 H HZ2  . LYS   A 1 71  ? -9.669  -3.405 -17.223 1.000 24.292 0 111 LYS   A HZ2  1 c 
ATOM   1209 H HZ3  . LYS   A 1 71  ? -9.283  -2.350 -18.182 1.000 24.292 0 111 LYS   A HZ3  1 c 
ATOM   1210 N N    . LYS   A 1 72  ? -8.806  2.144  -20.881 1.000 8.580  0 112 LYS   A N    1 ? 
ATOM   1211 C CA   . LYS   A 1 72  ? -9.244  1.692  -22.198 1.000 9.264  0 112 LYS   A CA   1 ? 
ATOM   1212 C C    . LYS   A 1 72  ? -8.273  2.132  -23.271 1.000 8.396  0 112 LYS   A C    1 ? 
ATOM   1213 O O    . LYS   A 1 72  ? -7.965  1.341  -24.178 1.000 9.291  0 112 LYS   A O    1 ? 
ATOM   1214 C CB   . LYS   A 1 72  ? -10.662 2.154  -22.450 1.000 10.817 0 112 LYS   A CB   1 ? 
ATOM   1215 C CG   . LYS   A 1 72  ? -11.723 1.499  -21.591 1.000 14.291 0 112 LYS   A CG   1 ? 
ATOM   1216 C CD   . LYS   A 1 72  ? -13.088 2.029  -21.766 1.000 20.897 0 112 LYS   A CD   1 ? 
ATOM   1217 C CE   . LYS   A 1 72  ? -14.086 1.292  -20.862 1.000 25.398 0 112 LYS   A CE   1 ? 
ATOM   1218 N NZ   . LYS   A 1 72  ? -15.379 1.988  -20.811 1.000 32.056 0 112 LYS   A NZ   1 ? 
ATOM   1219 H H    . LYS   A 1 72  ? -9.393  2.777  -20.357 1.000 8.580  0 112 LYS   A H    1 c 
ATOM   1220 H HA   . LYS   A 1 72  ? -9.271  0.707  -22.197 1.000 9.264  0 112 LYS   A HA   1 c 
ATOM   1221 H HB2  . LYS   A 1 72  ? -10.703 3.123  -22.312 1.000 10.817 0 112 LYS   A HB2  1 c 
ATOM   1222 H HB3  . LYS   A 1 72  ? -10.880 1.993  -23.392 1.000 10.817 0 112 LYS   A HB3  1 c 
ATOM   1223 H HG2  . LYS   A 1 72  ? -11.744 0.540  -21.797 1.000 14.291 0 112 LYS   A HG2  1 c 
ATOM   1224 H HG3  . LYS   A 1 72  ? -11.476 1.611  -20.648 1.000 14.291 0 112 LYS   A HG3  1 c 
ATOM   1225 H HD2  . LYS   A 1 72  ? -13.089 2.987  -21.554 1.000 20.897 0 112 LYS   A HD2  1 c 
ATOM   1226 H HD3  . LYS   A 1 72  ? -13.352 1.930  -22.706 1.000 20.897 0 112 LYS   A HD3  1 c 
ATOM   1227 H HE2  . LYS   A 1 72  ? -14.223 0.386  -21.197 1.000 25.398 0 112 LYS   A HE2  1 c 
ATOM   1228 H HE3  . LYS   A 1 72  ? -13.722 1.226  -19.959 1.000 25.398 0 112 LYS   A HE3  1 c 
ATOM   1229 H HZ1  . LYS   A 1 72  ? -15.263 2.827  -20.487 1.000 32.056 0 112 LYS   A HZ1  1 c 
ATOM   1230 H HZ2  . LYS   A 1 72  ? -15.951 1.533  -20.274 1.000 32.056 0 112 LYS   A HZ2  1 c 
ATOM   1231 H HZ3  . LYS   A 1 72  ? -15.733 2.039  -21.644 1.000 32.056 0 112 LYS   A HZ3  1 c 
ATOM   1232 N N    . ARG   A 1 73  ? -7.786  3.364  -23.187 1.000 7.764  0 113 ARG   A N    1 ? 
ATOM   1233 C CA   . ARG   A 1 73  ? -6.816  3.834  -24.173 1.000 7.790  0 113 ARG   A CA   1 ? 
ATOM   1234 C C    . ARG   A 1 73  ? -5.561  2.945  -24.169 1.000 7.922  0 113 ARG   A C    1 ? 
ATOM   1235 O O    . ARG   A 1 73  ? -5.059  2.558  -25.226 1.000 8.554  0 113 ARG   A O    1 ? 
ATOM   1236 C CB   . ARG   A 1 73  ? -6.471  5.298  -23.924 1.000 7.922  0 113 ARG   A CB   1 ? 
ATOM   1237 C CG   . ARG   A 1 73  ? -7.561  6.252  -24.395 1.000 8.712  0 113 ARG   A CG   1 ? 
ATOM   1238 C CD   . ARG   A 1 73  ? -7.245  7.699  -24.098 1.000 9.527  0 113 ARG   A CD   1 ? 
ATOM   1239 N NE   . ARG   A 1 73  ? -8.277  8.537  -24.684 1.000 10.185 0 113 ARG   A NE   1 ? 
ATOM   1240 C CZ   . ARG   A 1 73  ? -8.190  9.835  -24.877 1.000 11.712 0 113 ARG   A CZ   1 ? 
ATOM   1241 N NH1  . ARG   A 1 73  ? -7.224  10.558 -24.336 1.000 12.949 0 113 ARG   A NH1  1 ? 
ATOM   1242 N NH2  . ARG   A 1 73  ? -9.117  10.429 -25.612 1.000 13.949 0 113 ARG   A NH2  1 ? 
ATOM   1243 H H    . ARG   A 1 73  ? -8.077  3.987  -22.447 1.000 7.764  0 113 ARG   A H    1 c 
ATOM   1244 H HA   . ARG   A 1 73  ? -7.229  3.779  -25.070 1.000 7.790  0 113 ARG   A HA   1 c 
ATOM   1245 H HB2  . ARG   A 1 73  ? -6.319  5.425  -22.955 1.000 7.922  0 113 ARG   A HB2  1 c 
ATOM   1246 H HB3  . ARG   A 1 73  ? -5.626  5.506  -24.394 1.000 7.922  0 113 ARG   A HB3  1 c 
ATOM   1247 H HG2  . ARG   A 1 73  ? -7.686  6.149  -25.371 1.000 8.712  0 113 ARG   A HG2  1 c 
ATOM   1248 H HG3  . ARG   A 1 73  ? -8.414  6.017  -23.953 1.000 8.712  0 113 ARG   A HG3  1 c 
ATOM   1249 H HD2  . ARG   A 1 73  ? -7.199  7.827  -23.118 1.000 9.527  0 113 ARG   A HD2  1 c 
ATOM   1250 H HD3  . ARG   A 1 73  ? -6.356  7.921  -24.470 1.000 9.527  0 113 ARG   A HD3  1 c 
ATOM   1251 H HE   . ARG   A 1 73  ? -9.044  8.143  -24.939 1.000 10.185 0 113 ARG   A HE   1 c 
ATOM   1252 H HH11 . ARG   A 1 73  ? -6.604  10.162 -23.820 1.000 12.949 0 113 ARG   A HH11 1 c 
ATOM   1253 H HH12 . ARG   A 1 73  ? -7.190  11.444 -24.486 1.000 12.949 0 113 ARG   A HH12 1 c 
ATOM   1254 H HH21 . ARG   A 1 73  ? -9.786  9.944  -25.966 1.000 13.949 0 113 ARG   A HH21 1 c 
ATOM   1255 H HH22 . ARG   A 1 73  ? -9.075  11.316 -25.755 1.000 13.949 0 113 ARG   A HH22 1 c 
ATOM   1256 N N    . LEU   A 1 74  ? -5.040  2.661  -22.990 1.000 7.554  0 114 LEU   A N    1 ? 
ATOM   1257 C CA   . LEU   A 1 74  ? -3.857  1.810  -22.927 1.000 7.948  0 114 LEU   A CA   1 ? 
ATOM   1258 C C    . LEU   A 1 74  ? -4.162  0.405  -23.448 1.000 7.948  0 114 LEU   A C    1 ? 
ATOM   1259 O O    . LEU   A 1 74  ? -3.374  -0.170 -24.217 1.000 8.764  0 114 LEU   A O    1 ? 
ATOM   1260 C CB   . LEU   A 1 74  ? -3.310  1.735  -21.506 1.000 7.843  0 114 LEU   A CB   1 ? 
ATOM   1261 C CG   . LEU   A 1 74  ? -2.585  2.997  -21.050 1.000 7.606  0 114 LEU   A CG   1 ? 
ATOM   1262 C CD1  . LEU   A 1 74  ? -2.466  3.014  -19.546 1.000 7.843  0 114 LEU   A CD1  1 ? 
ATOM   1263 C CD2  . LEU   A 1 74  ? -1.186  3.057  -21.668 1.000 8.396  0 114 LEU   A CD2  1 ? 
ATOM   1264 H H    . LEU   A 1 74  ? -5.437  3.016  -22.132 1.000 7.554  0 114 LEU   A H    1 c 
ATOM   1265 H HA   . LEU   A 1 74  ? -3.159  2.202  -23.501 1.000 7.948  0 114 LEU   A HA   1 c 
ATOM   1266 H HB2  . LEU   A 1 74  ? -4.055  1.555  -20.899 1.000 7.843  0 114 LEU   A HB2  1 c 
ATOM   1267 H HB3  . LEU   A 1 74  ? -2.697  0.975  -21.452 1.000 7.843  0 114 LEU   A HB3  1 c 
ATOM   1268 H HG   . LEU   A 1 74  ? -3.100  3.779  -21.369 1.000 7.606  0 114 LEU   A HG   1 c 
ATOM   1269 H HD11 . LEU   A 1 74  ? -3.355  2.995  -19.150 1.000 7.843  0 114 LEU   A HD11 1 c 
ATOM   1270 H HD12 . LEU   A 1 74  ? -2.002  3.822  -19.266 1.000 7.843  0 114 LEU   A HD12 1 c 
ATOM   1271 H HD13 . LEU   A 1 74  ? -1.964  2.234  -19.251 1.000 7.843  0 114 LEU   A HD13 1 c 
ATOM   1272 H HD21 . LEU   A 1 74  ? -0.674  2.278  -21.390 1.000 8.396  0 114 LEU   A HD21 1 c 
ATOM   1273 H HD22 . LEU   A 1 74  ? -0.734  3.866  -21.371 1.000 8.396  0 114 LEU   A HD22 1 c 
ATOM   1274 H HD23 . LEU   A 1 74  ? -1.260  3.066  -22.638 1.000 8.396  0 114 LEU   A HD23 1 c 
ATOM   1275 N N    . GLU   A 1 75  ? -5.302  -0.179 -23.067 1.000 8.369  0 115 GLU   A N    1 ? 
ATOM   1276 C CA   . GLU   A 1 75  ? -5.645  -1.520 -23.514 1.000 10.185 0 115 GLU   A CA   1 ? 
ATOM   1277 C C    . GLU   A 1 75  ? -5.834  -1.574 -25.034 1.000 9.738  0 115 GLU   A C    1 ? 
ATOM   1278 O O    . GLU   A 1 75  ? -5.519  -2.590 -25.640 1.000 13.002 0 115 GLU   A O    1 ? 
ATOM   1279 C CB   . GLU   A 1 75  ? -6.944  -1.967 -22.827 1.000 11.265 0 115 GLU   A CB   1 ? 
ATOM   1280 C CG   . GLU   A 1 75  ? -6.741  -2.287 -21.362 1.000 13.186 0 115 GLU   A CG   1 ? 
ATOM   1281 C CD   . GLU   A 1 75  ? -8.067  -2.498 -20.599 1.000 15.502 0 115 GLU   A CD   1 ? 
ATOM   1282 O OE1  . GLU   A 1 75  ? -9.087  -2.055 -21.119 1.000 19.160 0 115 GLU   A OE1  1 ? 
ATOM   1283 O OE2  . GLU   A 1 75  ? -8.042  -2.936 -19.482 1.000 19.265 0 115 GLU   A OE2  1 ? 
ATOM   1284 H H    . GLU   A 1 75  ? -5.939  0.315  -22.459 1.000 8.369  0 115 GLU   A H    1 c 
ATOM   1285 H HA   . GLU   A 1 75  ? -4.904  -2.126 -23.282 1.000 10.185 0 115 GLU   A HA   1 c 
ATOM   1286 H HB2  . GLU   A 1 75  ? -7.606  -1.250 -22.915 1.000 11.265 0 115 GLU   A HB2  1 c 
ATOM   1287 H HB3  . GLU   A 1 75  ? -7.284  -2.761 -23.290 1.000 11.265 0 115 GLU   A HB3  1 c 
ATOM   1288 H HG2  . GLU   A 1 75  ? -6.193  -3.097 -21.287 1.000 13.186 0 115 GLU   A HG2  1 c 
ATOM   1289 H HG3  . GLU   A 1 75  ? -6.240  -1.555 -20.943 1.000 13.186 0 115 GLU   A HG3  1 c 
ATOM   1290 N N    . ASN   A 1 76  ? -6.315  -0.499 -25.621 1.000 9.370  0 116 ASN   A N    1 ? 
ATOM   1291 C CA   . ASN   A 1 76  ? -6.519  -0.388 -27.071 1.000 10.054 0 116 ASN   A CA   1 ? 
ATOM   1292 C C    . ASN   A 1 76  ? -5.312  0.148  -27.809 1.000 9.580  0 116 ASN   A C    1 ? 
ATOM   1293 O O    . ASN   A 1 76  ? -5.395  0.335  -29.045 1.000 11.343 0 116 ASN   A O    1 ? 
ATOM   1294 C CB   . ASN   A 1 76  ? -7.736  0.451  -27.370 1.000 11.686 0 116 ASN   A CB   1 ? 
ATOM   1295 C CG   . ASN   A 1 76  ? -9.057  -0.164 -26.926 1.000 14.028 0 116 ASN   A CG   1 ? 
ATOM   1296 O OD1  . ASN   A 1 76  ? -9.187  -1.356 -26.865 1.000 21.845 0 116 ASN   A OD1  1 ? 
ATOM   1297 N ND2  . ASN   A 1 76  ? -10.033 0.685  -26.640 1.000 15.791 0 116 ASN   A ND2  1 ? 
ATOM   1298 H H    . ASN   A 1 76  ? -6.552  0.284  -25.029 1.000 9.370  0 116 ASN   A H    1 c 
ATOM   1299 H HA   . ASN   A 1 76  ? -6.697  -1.288 -27.432 1.000 10.054 0 116 ASN   A HA   1 c 
ATOM   1300 H HB2  . ASN   A 1 76  ? -7.639  1.319  -26.928 1.000 11.686 0 116 ASN   A HB2  1 c 
ATOM   1301 H HB3  . ASN   A 1 76  ? -7.782  0.610  -28.335 1.000 11.686 0 116 ASN   A HB3  1 c 
ATOM   1302 H HD21 . ASN   A 1 76  ? -10.821 0.381  -26.377 1.000 15.791 0 116 ASN   A HD21 1 c 
ATOM   1303 H HD22 . ASN   A 1 76  ? -9.897  1.556  -26.712 1.000 15.791 0 116 ASN   A HD22 1 c 
ATOM   1304 N N    . ASN   A 1 77  ? -4.216  0.417  -27.097 1.000 9.027  0 117 ASN   A N    1 ? 
ATOM   1305 C CA   . ASN   A 1 77  ? -2.995  0.981  -27.728 1.000 8.817  0 117 ASN   A CA   1 ? 
ATOM   1306 C C    . ASN   A 1 77  ? -3.355  2.285  -28.458 1.000 9.027  0 117 ASN   A C    1 ? 
ATOM   1307 O O    . ASN   A 1 77  ? -2.861  2.532  -29.511 1.000 10.554 0 117 ASN   A O    1 ? 
ATOM   1308 C CB   . ASN   A 1 77  ? -2.346  -0.044 -28.650 1.000 9.896  0 117 ASN   A CB   1 ? 
ATOM   1309 C CG   . ASN   A 1 77  ? -0.924  0.318  -28.970 1.000 9.633  0 117 ASN   A CG   1 ? 
ATOM   1310 O OD1  . ASN   A 1 77  ? -0.646  0.535  -30.132 1.000 12.291 0 117 ASN   A OD1  1 ? 
ATOM   1311 N ND2  . ASN   A 1 77  ? -0.064  0.442  -27.971 1.000 9.106  0 117 ASN   A ND2  1 ? 
ATOM   1312 H H    . ASN   A 1 77  ? -4.217  0.232  -26.104 1.000 9.027  0 117 ASN   A H    1 c 
ATOM   1313 H HA   . ASN   A 1 77  ? -2.342  1.185  -27.018 1.000 8.817  0 117 ASN   A HA   1 c 
ATOM   1314 H HB2  . ASN   A 1 77  ? -2.374  -0.922 -28.218 1.000 9.896  0 117 ASN   A HB2  1 c 
ATOM   1315 H HB3  . ASN   A 1 77  ? -2.867  -0.101 -29.477 1.000 9.896  0 117 ASN   A HB3  1 c 
ATOM   1316 H HD21 . ASN   A 1 77  ? 0.778   0.654  -28.136 1.000 9.106  0 117 ASN   A HD21 1 c 
ATOM   1317 H HD22 . ASN   A 1 77  ? -0.331  0.312  -27.138 1.000 9.106  0 117 ASN   A HD22 1 c 
ATOM   1318 N N    . TYR   A 1 78  ? -4.211  3.091  -27.865 1.000 8.869  0 118 TYR   A N    1 ? 
ATOM   1319 C CA   . TYR   A 1 78  ? -4.617  4.386  -28.429 1.000 9.475  0 118 TYR   A CA   1 ? 
ATOM   1320 C C    . TYR   A 1 78  ? -3.448  5.358  -28.476 1.000 9.212  0 118 TYR   A C    1 ? 
ATOM   1321 O O    . TYR   A 1 78  ? -3.346  6.183  -29.390 1.000 11.607 0 118 TYR   A O    1 ? 
ATOM   1322 C CB   . TYR   A 1 78  ? -5.760  4.926  -27.574 1.000 9.343  0 118 TYR   A CB   1 ? 
ATOM   1323 C CG   . TYR   A 1 78  ? -6.286  6.268  -27.943 1.000 10.370 0 118 TYR   A CG   1 ? 
ATOM   1324 C CD1  . TYR   A 1 78  ? -7.336  6.386  -28.849 1.000 12.791 0 118 TYR   A CD1  1 ? 
ATOM   1325 C CD2  . TYR   A 1 78  ? -5.782  7.431  -27.340 1.000 11.159 0 118 TYR   A CD2  1 ? 
ATOM   1326 C CE1  . TYR   A 1 78  ? -7.832  7.633  -29.171 1.000 15.844 0 118 TYR   A CE1  1 ? 
ATOM   1327 C CE2  . TYR   A 1 78  ? -6.301  8.677  -27.650 1.000 13.765 0 118 TYR   A CE2  1 ? 
ATOM   1328 C CZ   . TYR   A 1 78  ? -7.301  8.768  -28.599 1.000 15.370 0 118 TYR   A CZ   1 ? 
ATOM   1329 O OH   . TYR   A 1 78  ? -7.849  9.968  -28.978 1.000 19.081 0 118 TYR   A OH   1 ? 
ATOM   1330 H H    . TYR   A 1 78  ? -4.600  2.795  -26.981 1.000 8.869  0 118 TYR   A H    1 c 
ATOM   1331 H HA   . TYR   A 1 78  ? -4.925  4.243  -29.360 1.000 9.475  0 118 TYR   A HA   1 c 
ATOM   1332 H HB2  . TYR   A 1 78  ? -6.504  4.289  -27.612 1.000 9.343  0 118 TYR   A HB2  1 c 
ATOM   1333 H HB3  . TYR   A 1 78  ? -5.458  4.965  -26.642 1.000 9.343  0 118 TYR   A HB3  1 c 
ATOM   1334 H HD1  . TYR   A 1 78  ? -7.710  5.607  -29.226 1.000 12.791 0 118 TYR   A HD1  1 c 
ATOM   1335 H HD2  . TYR   A 1 78  ? -5.080  7.368  -26.714 1.000 11.159 0 118 TYR   A HD2  1 c 
ATOM   1336 H HE1  . TYR   A 1 78  ? -8.543  7.716  -29.784 1.000 15.844 0 118 TYR   A HE1  1 c 
ATOM   1337 H HE2  . TYR   A 1 78  ? -5.944  9.460  -27.264 1.000 13.765 0 118 TYR   A HE2  1 c 
ATOM   1338 H HH   . TYR   A 1 78  ? -8.478  9.837  -29.547 0.000 19.081 0 118 TYR   A HH   1 c 
ATOM   1339 N N    . TYR   A 1 79  ? -2.597  5.351  -27.449 1.000 8.554  0 119 TYR   A N    1 ? 
ATOM   1340 C CA   . TYR   A 1 79  ? -1.511  6.332  -27.359 1.000 9.264  0 119 TYR   A CA   1 ? 
ATOM   1341 C C    . TYR   A 1 79  ? -0.380  5.936  -28.288 1.000 10.080 0 119 TYR   A C    1 ? 
ATOM   1342 O O    . TYR   A 1 79  ? 0.072   4.786  -28.303 1.000 10.712 0 119 TYR   A O    1 ? 
ATOM   1343 C CB   . TYR   A 1 79  ? -0.974  6.412  -25.934 1.000 9.027  0 119 TYR   A CB   1 ? 
ATOM   1344 C CG   . TYR   A 1 79  ? -2.000  6.819  -24.928 1.000 8.185  0 119 TYR   A CG   1 ? 
ATOM   1345 C CD1  . TYR   A 1 79  ? -2.558  8.091  -24.917 1.000 8.527  0 119 TYR   A CD1  1 ? 
ATOM   1346 C CD2  . TYR   A 1 79  ? -2.429  5.962  -23.933 1.000 8.606  0 119 TYR   A CD2  1 ? 
ATOM   1347 C CE1  . TYR   A 1 79  ? -3.419  8.514  -23.941 1.000 8.290  0 119 TYR   A CE1  1 ? 
ATOM   1348 C CE2  . TYR   A 1 79  ? -3.316  6.350  -22.941 1.000 8.369  0 119 TYR   A CE2  1 ? 
ATOM   1349 C CZ   . TYR   A 1 79  ? -3.796  7.628  -22.931 1.000 8.027  0 119 TYR   A CZ   1 ? 
ATOM   1350 O OH   . TYR   A 1 79  ? -4.616  8.007  -21.905 1.000 9.396  0 119 TYR   A OH   1 ? 
ATOM   1351 H H    . TYR   A 1 79  ? -2.699  4.660  -26.719 1.000 8.554  0 119 TYR   A H    1 c 
ATOM   1352 H HA   . TYR   A 1 79  ? -1.857  7.214  -27.650 1.000 9.264  0 119 TYR   A HA   1 c 
ATOM   1353 H HB2  . TYR   A 1 79  ? -0.609  5.536  -25.691 1.000 9.027  0 119 TYR   A HB2  1 c 
ATOM   1354 H HB3  . TYR   A 1 79  ? -0.231  7.051  -25.918 1.000 9.027  0 119 TYR   A HB3  1 c 
ATOM   1355 H HD1  . TYR   A 1 79  ? -2.284  8.721  -25.563 1.000 8.527  0 119 TYR   A HD1  1 c 
ATOM   1356 H HD2  . TYR   A 1 79  ? -2.100  5.078  -23.936 1.000 8.606  0 119 TYR   A HD2  1 c 
ATOM   1357 H HE1  . TYR   A 1 79  ? -3.776  9.386  -23.970 1.000 8.290  0 119 TYR   A HE1  1 c 
ATOM   1358 H HE2  . TYR   A 1 79  ? -3.567  5.747  -22.261 1.000 8.369  0 119 TYR   A HE2  1 c 
ATOM   1359 H HH   . TYR   A 1 79  ? -4.837  8.831  -21.995 0.000 9.396  0 119 TYR   A HH   1 c 
ATOM   1360 N N    . TRP   A 1 80  ? 0.096   6.933  -28.995 1.000 11.580 0 120 TRP   A N    1 ? 
ATOM   1361 C CA   . TRP   A 1 80  ? 1.308   6.777  -29.813 1.000 11.396 0 120 TRP   A CA   1 ? 
ATOM   1362 C C    . TRP   A 1 80  ? 2.551   6.814  -28.957 1.000 11.712 0 120 TRP   A C    1 ? 
ATOM   1363 O O    . TRP   A 1 80  ? 3.582   6.267  -29.363 1.000 14.107 0 120 TRP   A O    1 ? 
ATOM   1364 C CB   . TRP   A 1 80  ? 1.340   7.901  -30.881 1.000 12.396 0 120 TRP   A CB   1 ? 
ATOM   1365 C CG   . TRP   A 1 80  ? 0.247   7.886  -31.895 1.000 12.423 0 120 TRP   A CG   1 ? 
ATOM   1366 C CD1  . TRP   A 1 80  ? -0.959  8.498  -31.755 1.000 13.923 0 120 TRP   A CD1  1 ? 
ATOM   1367 C CD2  . TRP   A 1 80  ? 0.300   7.364  -33.233 1.000 11.317 0 120 TRP   A CD2  1 ? 
ATOM   1368 N NE1  . TRP   A 1 80  ? -1.653  8.403  -32.906 1.000 13.975 0 120 TRP   A NE1  1 ? 
ATOM   1369 C CE2  . TRP   A 1 80  ? -0.919  7.698  -33.832 1.000 12.186 0 120 TRP   A CE2  1 ? 
ATOM   1370 C CE3  . TRP   A 1 80  ? 1.269   6.658  -33.962 1.000 12.054 0 120 TRP   A CE3  1 ? 
ATOM   1371 C CZ2  . TRP   A 1 80  ? -1.180  7.433  -35.162 1.000 13.107 0 120 TRP   A CZ2  1 ? 
ATOM   1372 C CZ3  . TRP   A 1 80  ? 0.973   6.327  -35.269 1.000 12.396 0 120 TRP   A CZ3  1 ? 
ATOM   1373 C CH2  . TRP   A 1 80  ? -0.226  6.715  -35.846 1.000 12.870 0 120 TRP   A CH2  1 ? 
ATOM   1374 H H    . TRP   A 1 80  ? -0.376  7.826  -28.980 1.000 11.580 0 120 TRP   A H    1 c 
ATOM   1375 H HA   . TRP   A 1 80  ? 1.265   5.898  -30.257 1.000 11.396 0 120 TRP   A HA   1 c 
ATOM   1376 H HB2  . TRP   A 1 80  ? 1.305   8.764  -30.420 1.000 12.396 0 120 TRP   A HB2  1 c 
ATOM   1377 H HB3  . TRP   A 1 80  ? 2.191   7.844  -31.361 1.000 12.396 0 120 TRP   A HB3  1 c 
ATOM   1378 H HD1  . TRP   A 1 80  ? -1.232  8.997  -31.000 1.000 13.923 0 120 TRP   A HD1  1 c 
ATOM   1379 H HE1  . TRP   A 1 80  ? -2.456  8.727  -33.042 1.000 13.975 0 120 TRP   A HE1  1 c 
ATOM   1380 H HE3  . TRP   A 1 80  ? 2.094   6.429  -33.565 1.000 12.054 0 120 TRP   A HE3  1 c 
ATOM   1381 H HZ2  . TRP   A 1 80  ? -1.970  7.727  -35.583 1.000 13.107 0 120 TRP   A HZ2  1 c 
ATOM   1382 H HZ3  . TRP   A 1 80  ? 1.607   5.852  -35.783 1.000 12.396 0 120 TRP   A HZ3  1 c 
ATOM   1383 H HH2  . TRP   A 1 80  ? -0.405  6.477  -36.739 1.000 12.870 0 120 TRP   A HH2  1 c 
ATOM   1384 N N    . ASN   A 1 81  ? 2.500   7.483  -27.818 1.000 12.423 0 121 ASN   A N    1 ? 
ATOM   1385 C CA   . ASN   A 1 81  ? 3.673   7.591  -26.956 1.000 13.607 0 121 ASN   A CA   1 ? 
ATOM   1386 C C    . ASN   A 1 81  ? 3.242   7.735  -25.514 1.000 11.080 0 121 ASN   A C    1 ? 
ATOM   1387 O O    . ASN   A 1 81  ? 2.133   8.089  -25.187 1.000 11.291 0 121 ASN   A O    1 ? 
ATOM   1388 C CB   . ASN   A 1 81  ? 4.577   8.716  -27.436 1.000 15.239 0 121 ASN   A CB   1 ? 
ATOM   1389 C CG   . ASN   A 1 81  ? 3.985   10.084 -27.311 1.000 14.423 0 121 ASN   A CG   1 ? 
ATOM   1390 O OD1  . ASN   A 1 81  ? 3.679   10.494 -26.232 1.000 15.028 0 121 ASN   A OD1  1 ? 
ATOM   1391 N ND2  . ASN   A 1 81  ? 3.734   10.740 -28.419 1.000 17.634 0 121 ASN   A ND2  1 ? 
ATOM   1392 H H    . ASN   A 1 81  ? 1.639   7.928  -27.535 1.000 12.423 0 121 ASN   A H    1 c 
ATOM   1393 H HA   . ASN   A 1 81  ? 4.202   6.764  -27.043 1.000 13.607 0 121 ASN   A HA   1 c 
ATOM   1394 H HB2  . ASN   A 1 81  ? 5.410   8.694  -26.923 1.000 15.239 0 121 ASN   A HB2  1 c 
ATOM   1395 H HB3  . ASN   A 1 81  ? 4.801   8.563  -28.377 1.000 15.239 0 121 ASN   A HB3  1 c 
ATOM   1396 H HD21 . ASN   A 1 81  ? 3.384   11.551 -28.383 1.000 17.634 0 121 ASN   A HD21 1 c 
ATOM   1397 H HD22 . ASN   A 1 81  ? 3.915   10.371 -29.202 1.000 17.634 0 121 ASN   A HD22 1 c 
ATOM   1398 N N    . ALA   A 1 82  ? 4.175   7.483  -24.618 1.000 11.791 0 122 ALA   A N    1 ? 
ATOM   1399 C CA   . ALA   A 1 82  ? 3.893   7.488  -23.178 1.000 11.580 0 122 ALA   A CA   1 ? 
ATOM   1400 C C    . ALA   A 1 82  ? 3.587   8.909  -22.695 1.000 10.633 0 122 ALA   A C    1 ? 
ATOM   1401 O O    . ALA   A 1 82  ? 2.794   9.047  -21.741 1.000 10.238 0 122 ALA   A O    1 ? 
ATOM   1402 C CB   . ALA   A 1 82  ? 5.120   6.962  -22.446 1.000 14.528 0 122 ALA   A CB   1 ? 
ATOM   1403 H H    . ALA   A 1 82  ? 5.112   7.281  -24.936 1.000 11.791 0 122 ALA   A H    1 c 
ATOM   1404 H HA   . ALA   A 1 82  ? 3.097   6.930  -23.013 1.000 11.580 0 122 ALA   A HA   1 c 
ATOM   1405 H HB1  . ALA   A 1 82  ? 4.951   6.958  -21.491 1.000 14.528 0 122 ALA   A HB1  1 c 
ATOM   1406 H HB2  . ALA   A 1 82  ? 5.313   6.059  -22.743 1.000 14.528 0 122 ALA   A HB2  1 c 
ATOM   1407 H HB3  . ALA   A 1 82  ? 5.882   7.534  -22.637 1.000 14.528 0 122 ALA   A HB3  1 c 
ATOM   1408 N N    . GLN   A 1 83  ? 4.170   9.937  -23.285 1.000 11.765 0 123 GLN   A N    1 ? 
ATOM   1409 C CA   . GLN   A 1 83  ? 3.917   11.285 -22.808 1.000 12.001 0 123 GLN   A CA   1 ? 
ATOM   1410 C C    . GLN   A 1 83  ? 2.433   11.647 -22.977 1.000 10.712 0 123 GLN   A C    1 ? 
ATOM   1411 O O    . GLN   A 1 83  ? 1.906   12.373 -22.113 1.000 10.633 0 123 GLN   A O    1 ? 
ATOM   1412 C CB   . GLN   A 1 83  ? 4.806   12.283 -23.494 1.000 14.449 0 123 GLN   A CB   1 ? 
ATOM   1413 C CG   . GLN   A 1 83  ? 6.269   12.181 -22.991 1.000 22.318 0 123 GLN   A CG   1 ? 
ATOM   1414 C CD   . GLN   A 1 83  ? 6.519   12.358 -21.480 1.000 27.688 0 123 GLN   A CD   1 ? 
ATOM   1415 O OE1  . GLN   A 1 83  ? 6.006   13.267 -20.761 1.000 31.425 0 123 GLN   A OE1  1 ? 
ATOM   1416 N NE2  . GLN   A 1 83  ? 7.365   11.486 -20.936 1.000 33.372 0 123 GLN   A NE2  1 ? 
ATOM   1417 H H    . GLN   A 1 83  ? 4.793   9.801  -24.068 1.000 11.765 0 123 GLN   A H    1 c 
ATOM   1418 H HA   . GLN   A 1 83  ? 4.136   11.323 -21.848 1.000 12.001 0 123 GLN   A HA   1 c 
ATOM   1419 H HB2  . GLN   A 1 83  ? 4.768   12.122 -24.460 1.000 14.449 0 123 GLN   A HB2  1 c 
ATOM   1420 H HB3  . GLN   A 1 83  ? 4.453   13.182 -23.327 1.000 14.449 0 123 GLN   A HB3  1 c 
ATOM   1421 H HG2  . GLN   A 1 83  ? 6.631   11.300 -23.228 1.000 22.318 0 123 GLN   A HG2  1 c 
ATOM   1422 H HG3  . GLN   A 1 83  ? 6.813   12.862 -23.441 1.000 22.318 0 123 GLN   A HG3  1 c 
ATOM   1423 H HE21 . GLN   A 1 83  ? 7.553   11.531 -20.073 1.000 33.372 0 123 GLN   A HE21 1 c 
ATOM   1424 H HE22 . GLN   A 1 83  ? 7.739   10.861 -21.437 1.000 33.372 0 123 GLN   A HE22 1 c 
ATOM   1425 N N    . GLU   A 1 84  ? 1.764   11.168 -24.037 1.000 11.001 0 124 GLU   A N    1 ? 
ATOM   1426 C CA   . GLU   A 1 84  ? 0.307   11.437 -24.195 1.000 11.212 0 124 GLU   A CA   1 ? 
ATOM   1427 C C    . GLU   A 1 84  ? -0.469  10.874 -22.996 1.000 9.212  0 124 GLU   A C    1 ? 
ATOM   1428 O O    . GLU   A 1 84  ? -1.429  11.509 -22.529 1.000 10.212 0 124 GLU   A O    1 ? 
ATOM   1429 C CB   . GLU   A 1 84  ? -0.242  10.758 -25.453 1.000 13.159 0 124 GLU   A CB   1 ? 
ATOM   1430 C CG   . GLU   A 1 84  ? 0.170   11.347 -26.781 1.000 14.791 0 124 GLU   A CG   1 ? 
ATOM   1431 C CD   . GLU   A 1 84  ? -0.595  10.622 -27.877 1.000 15.607 0 124 GLU   A CD   1 ? 
ATOM   1432 O OE1  . GLU   A 1 84  ? -0.246  9.481  -28.159 1.000 13.975 0 124 GLU   A OE1  1 ? 
ATOM   1433 O OE2  . GLU   A 1 84  ? -1.577  11.184 -28.399 1.000 23.476 0 124 GLU   A OE2  1 ? 
ATOM   1434 H H    . GLU   A 1 84  ? 2.242   10.620 -24.738 1.000 11.001 0 124 GLU   A H    1 c 
ATOM   1435 H HA   . GLU   A 1 84  ? 0.171   12.412 -24.223 1.000 11.212 0 124 GLU   A HA   1 c 
ATOM   1436 H HB2  . GLU   A 1 84  ? 0.045   9.821  -25.452 1.000 13.159 0 124 GLU   A HB2  1 c 
ATOM   1437 H HB3  . GLU   A 1 84  ? -1.221  10.782 -25.418 1.000 13.159 0 124 GLU   A HB3  1 c 
ATOM   1438 H HG2  . GLU   A 1 84  ? -0.025  12.308 -26.776 1.000 14.791 0 124 GLU   A HG2  1 c 
ATOM   1439 H HG3  . GLU   A 1 84  ? 1.140   11.246 -26.886 1.000 14.791 0 124 GLU   A HG3  1 c 
ATOM   1440 N N    . CYS   A 1 85  ? -0.072  9.684  -22.526 1.000 8.869  0 125 CYS   A N    1 ? 
ATOM   1441 C CA   . CYS   A 1 85  ? -0.758  9.054  -21.410 1.000 8.501  0 125 CYS   A CA   1 ? 
ATOM   1442 C C    . CYS   A 1 85  ? -0.483  9.780  -20.103 1.000 7.975  0 125 CYS   A C    1 ? 
ATOM   1443 O O    . CYS   A 1 85  ? -1.384  10.058 -19.319 1.000 8.212  0 125 CYS   A O    1 ? 
ATOM   1444 C CB   . CYS   A 1 85  ? -0.292  7.582  -21.366 1.000 8.922  0 125 CYS   A CB   1 ? 
ATOM   1445 S SG   . CYS   A 1 85  ? -0.961  6.708  -19.946 1.000 9.764  0 125 CYS   A SG   1 ? 
ATOM   1446 H H    . CYS   A 1 85  ? 0.715   9.213  -22.949 1.000 8.869  0 125 CYS   A H    1 c 
ATOM   1447 H HA   . CYS   A 1 85  ? -1.731  9.104  -21.582 1.000 8.501  0 125 CYS   A HA   1 c 
ATOM   1448 H HB2  . CYS   A 1 85  ? -0.579  7.126  -22.196 1.000 8.922  0 125 CYS   A HB2  1 c 
ATOM   1449 H HB3  . CYS   A 1 85  ? 0.696   7.556  -21.331 1.000 8.922  0 125 CYS   A HB3  1 c 
ATOM   1450 H HG   . CYS   A 1 85  ? -0.464  5.670  -20.164 0.000 9.764  0 125 CYS   A HG   1 c 
ATOM   1451 N N    . ILE   A 1 86  ? 0.778   10.144 -19.889 1.000 8.343  0 126 ILE   A N    1 ? 
ATOM   1452 C CA   . ILE   A 1 86  ? 1.137   10.930 -18.703 1.000 8.527  0 126 ILE   A CA   1 ? 
ATOM   1453 C C    . ILE   A 1 86  ? 0.353   12.224 -18.686 1.000 8.527  0 126 ILE   A C    1 ? 
ATOM   1454 O O    . ILE   A 1 86  ? -0.143  12.636 -17.618 1.000 9.027  0 126 ILE   A O    1 ? 
ATOM   1455 C CB   . ILE   A 1 86  ? 2.669   11.142 -18.674 1.000 8.659  0 126 ILE   A CB   1 ? 
ATOM   1456 C CG1  . ILE   A 1 86  ? 3.366   9.795  -18.397 1.000 10.028 0 126 ILE   A CG1  1 ? 
ATOM   1457 C CG2  . ILE   A 1 86  ? 3.056   12.185 -17.619 1.000 10.106 0 126 ILE   A CG2  1 ? 
ATOM   1458 C CD1  . ILE   A 1 86  ? 4.855   9.797  -18.718 1.000 11.343 0 126 ILE   A CD1  1 ? 
ATOM   1459 H H    . ILE   A 1 86  ? 1.501   9.882  -20.543 1.000 8.343  0 126 ILE   A H    1 c 
ATOM   1460 H HA   . ILE   A 1 86  ? 0.893   10.419 -17.910 1.000 8.527  0 126 ILE   A HA   1 c 
ATOM   1461 H HB   . ILE   A 1 86  ? 2.935   11.498 -19.557 1.000 8.659  0 126 ILE   A HB   1 c 
ATOM   1462 H HG12 . ILE   A 1 86  ? 3.247   9.568  -17.450 1.000 10.028 0 126 ILE   A HG12 1 c 
ATOM   1463 H HG13 . ILE   A 1 86  ? 2.928   9.098  -18.931 1.000 10.028 0 126 ILE   A HG13 1 c 
ATOM   1464 H HG21 . ILE   A 1 86  ? 2.630   13.035 -17.827 1.000 10.106 0 126 ILE   A HG21 1 c 
ATOM   1465 H HG22 . ILE   A 1 86  ? 4.021   12.306 -17.617 1.000 10.106 0 126 ILE   A HG22 1 c 
ATOM   1466 H HG23 . ILE   A 1 86  ? 2.766   11.885 -16.740 1.000 10.106 0 126 ILE   A HG23 1 c 
ATOM   1467 H HD11 . ILE   A 1 86  ? 4.985   10.000 -19.661 1.000 11.343 0 126 ILE   A HD11 1 c 
ATOM   1468 H HD12 . ILE   A 1 86  ? 5.232   8.922  -18.522 1.000 11.343 0 126 ILE   A HD12 1 c 
ATOM   1469 H HD13 . ILE   A 1 86  ? 5.304   10.470 -18.178 1.000 11.343 0 126 ILE   A HD13 1 c 
ATOM   1470 N N    . GLN   A 1 87  ? 0.228   12.880 -19.826 1.000 8.712  0 127 GLN   A N    1 ? 
ATOM   1471 C CA   . GLN   A 1 87  ? -0.577  14.118 -19.909 1.000 9.317  0 127 GLN   A CA   1 ? 
ATOM   1472 C C    . GLN   A 1 87  ? -1.994  13.858 -19.471 1.000 8.159  0 127 GLN   A C    1 ? 
ATOM   1473 O O    . GLN   A 1 87  ? -2.581  14.691 -18.764 1.000 8.606  0 127 GLN   A O    1 ? 
ATOM   1474 C CB   . GLN   A 1 87  ? -0.532  14.673 -21.334 1.000 11.212 0 127 GLN   A CB   1 ? 
ATOM   1475 C CG   . GLN   A 1 87  ? -1.346  15.922 -21.599 1.000 16.081 0 127 GLN   A CG   1 ? 
ATOM   1476 C CD   . GLN   A 1 87  ? -1.100  16.435 -23.037 1.000 42.716 0 127 GLN   A CD   1 ? 
ATOM   1477 O OE1  . GLN   A 1 87  ? -0.141  15.988 -23.782 1.000 48.032 0 127 GLN   A OE1  1 ? 
ATOM   1478 N NE2  . GLN   A 1 87  ? -1.854  17.458 -23.397 1.000 46.795 0 127 GLN   A NE2  1 ? 
ATOM   1479 H H    . GLN   A 1 87  ? 0.687   12.535 -20.657 1.000 8.712  0 127 GLN   A H    1 c 
ATOM   1480 H HA   . GLN   A 1 87  ? -0.185  14.787 -19.301 1.000 9.317  0 127 GLN   A HA   1 c 
ATOM   1481 H HB2  . GLN   A 1 87  ? 0.400   14.873 -21.561 1.000 11.212 0 127 GLN   A HB2  1 c 
ATOM   1482 H HB3  . GLN   A 1 87  ? -0.847  13.978 -21.949 1.000 11.212 0 127 GLN   A HB3  1 c 
ATOM   1483 H HG2  . GLN   A 1 87  ? -2.298  15.719 -21.474 1.000 16.081 0 127 GLN   A HG2  1 c 
ATOM   1484 H HG3  . GLN   A 1 87  ? -1.096  16.614 -20.950 1.000 16.081 0 127 GLN   A HG3  1 c 
ATOM   1485 H HE21 . GLN   A 1 87  ? -1.770  17.806 -24.205 1.000 46.795 0 127 GLN   A HE21 1 c 
ATOM   1486 H HE22 . GLN   A 1 87  ? -2.443  17.795 -22.830 1.000 46.795 0 127 GLN   A HE22 1 c 
ATOM   1487 N N    . ASP   A 1 88  ? -2.617  12.767 -19.892 1.000 8.027  0 128 ASP   A N    1 ? 
ATOM   1488 C CA   . ASP   A 1 88  ? -3.987  12.466 -19.475 1.000 7.554  0 128 ASP   A CA   1 ? 
ATOM   1489 C C    . ASP   A 1 88  ? -4.087  12.287 -17.962 1.000 7.001  0 128 ASP   A C    1 ? 
ATOM   1490 O O    . ASP   A 1 88  ? -5.034  12.797 -17.358 1.000 7.159  0 128 ASP   A O    1 ? 
ATOM   1491 C CB   . ASP   A 1 88  ? -4.509  11.237 -20.201 1.000 7.659  0 128 ASP   A CB   1 ? 
ATOM   1492 C CG   . ASP   A 1 88  ? -5.022  11.484 -21.617 1.000 8.606  0 128 ASP   A CG   1 ? 
ATOM   1493 O OD1  . ASP   A 1 88  ? -5.139  12.673 -22.019 1.000 10.054 0 128 ASP   A OD1  1 ? 
ATOM   1494 O OD2  . ASP   A 1 88  ? -5.280  10.508 -22.310 1.000 10.080 0 128 ASP   A OD2  1 ? 
ATOM   1495 H H    . ASP   A 1 88  ? -2.140  12.129 -20.513 1.000 8.027  0 128 ASP   A H    1 c 
ATOM   1496 H HA   . ASP   A 1 88  ? -4.564  13.225 -19.726 1.000 7.554  0 128 ASP   A HA   1 c 
ATOM   1497 H HB2  . ASP   A 1 88  ? -3.781  10.586 -20.272 1.000 7.659  0 128 ASP   A HB2  1 c 
ATOM   1498 H HB3  . ASP   A 1 88  ? -5.257  10.868 -19.688 1.000 7.659  0 128 ASP   A HB3  1 c 
ATOM   1499 N N    . PHE   A 1 89  ? -3.160  11.581 -17.323 1.000 7.211  0 129 PHE   A N    1 ? 
ATOM   1500 C CA   . PHE   A 1 89  ? -3.201  11.473 -15.859 1.000 7.501  0 129 PHE   A CA   1 ? 
ATOM   1501 C C    . PHE   A 1 89  ? -3.116  12.875 -15.250 1.000 7.369  0 129 PHE   A C    1 ? 
ATOM   1502 O O    . PHE   A 1 89  ? -3.864  13.201 -14.323 1.000 7.448  0 129 PHE   A O    1 ? 
ATOM   1503 C CB   . PHE   A 1 89  ? -2.019  10.624 -15.329 1.000 7.711  0 129 PHE   A CB   1 ? 
ATOM   1504 C CG   . PHE   A 1 89  ? -2.288  9.141  -15.361 1.000 7.790  0 129 PHE   A CG   1 ? 
ATOM   1505 C CD1  . PHE   A 1 89  ? -3.106  8.554  -14.395 1.000 8.896  0 129 PHE   A CD1  1 ? 
ATOM   1506 C CD2  . PHE   A 1 89  ? -1.702  8.312  -16.300 1.000 8.106  0 129 PHE   A CD2  1 ? 
ATOM   1507 C CE1  . PHE   A 1 89  ? -3.305  7.181  -14.379 1.000 9.896  0 129 PHE   A CE1  1 ? 
ATOM   1508 C CE2  . PHE   A 1 89  ? -1.880  6.947  -16.240 1.000 9.475  0 129 PHE   A CE2  1 ? 
ATOM   1509 C CZ   . PHE   A 1 89  ? -2.676  6.386  -15.286 1.000 9.633  0 129 PHE   A CZ   1 ? 
ATOM   1510 H H    . PHE   A 1 89  ? -2.422  11.114 -17.831 1.000 7.211  0 129 PHE   A H    1 c 
ATOM   1511 H HA   . PHE   A 1 89  ? -4.066  11.066 -15.596 1.000 7.501  0 129 PHE   A HA   1 c 
ATOM   1512 H HB2  . PHE   A 1 89  ? -1.226  10.826 -15.868 1.000 7.711  0 129 PHE   A HB2  1 c 
ATOM   1513 H HB3  . PHE   A 1 89  ? -1.824  10.903 -14.410 1.000 7.711  0 129 PHE   A HB3  1 c 
ATOM   1514 H HD1  . PHE   A 1 89  ? -3.490  9.091  -13.721 1.000 8.896  0 129 PHE   A HD1  1 c 
ATOM   1515 H HD2  . PHE   A 1 89  ? -1.175  8.686  -16.988 1.000 8.106  0 129 PHE   A HD2  1 c 
ATOM   1516 H HE1  . PHE   A 1 89  ? -3.861  6.795  -13.721 1.000 9.896  0 129 PHE   A HE1  1 c 
ATOM   1517 H HE2  . PHE   A 1 89  ? -1.443  6.397  -16.870 1.000 9.475  0 129 PHE   A HE2  1 c 
ATOM   1518 H HZ   . PHE   A 1 89  ? -2.815  5.452  -15.271 1.000 9.633  0 129 PHE   A HZ   1 c 
ATOM   1519 N N    . ASN   A 1 90  ? -2.163  13.690 -15.727 1.000 7.290  0 130 ASN   A N    1 ? 
ATOM   1520 C CA   . ASN   A 1 90  ? -2.041  15.039 -15.179 1.000 7.790  0 130 ASN   A CA   1 ? 
ATOM   1521 C C    . ASN   A 1 90  ? -3.332  15.831 -15.334 1.000 7.501  0 130 ASN   A C    1 ? 
ATOM   1522 O O    . ASN   A 1 90  ? -3.738  16.564 -14.421 1.000 7.948  0 130 ASN   A O    1 ? 
ATOM   1523 C CB   . ASN   A 1 90  ? -0.866  15.773 -15.817 1.000 8.501  0 130 ASN   A CB   1 ? 
ATOM   1524 C CG   . ASN   A 1 90  ? 0.481   15.299 -15.332 1.000 10.449 0 130 ASN   A CG   1 ? 
ATOM   1525 O OD1  . ASN   A 1 90  ? 0.647   14.859 -14.196 1.000 12.080 0 130 ASN   A OD1  1 ? 
ATOM   1526 N ND2  . ASN   A 1 90  ? 1.467   15.410 -16.192 1.000 13.370 0 130 ASN   A ND2  1 ? 
ATOM   1527 H H    . ASN   A 1 90  ? -1.528  13.395 -16.455 1.000 7.290  0 130 ASN   A H    1 c 
ATOM   1528 H HA   . ASN   A 1 90  ? -1.848  14.968 -14.215 1.000 7.790  0 130 ASN   A HA   1 c 
ATOM   1529 H HB2  . ASN   A 1 90  ? -0.909  15.656 -16.788 1.000 8.501  0 130 ASN   A HB2  1 c 
ATOM   1530 H HB3  . ASN   A 1 90  ? -0.949  16.730 -15.627 1.000 8.501  0 130 ASN   A HB3  1 c 
ATOM   1531 H HD21 . ASN   A 1 90  ? 2.281   15.149 -15.967 1.000 13.370 0 130 ASN   A HD21 1 c 
ATOM   1532 H HD22 . ASN   A 1 90  ? 1.317   15.745 -16.996 1.000 13.370 0 130 ASN   A HD22 1 c 
ATOM   1533 N N    . THR   A 1 91  ? -3.964  15.734 -16.487 1.000 7.422  0 131 THR   A N    1 ? 
ATOM   1534 C CA   . THR   A 1 91  ? -5.242  16.432 -16.725 1.000 7.711  0 131 THR   A CA   1 ? 
ATOM   1535 C C    . THR   A 1 91  ? -6.270  15.985 -15.715 1.000 6.975  0 131 THR   A C    1 ? 
ATOM   1536 O O    . THR   A 1 91  ? -6.998  16.815 -15.154 1.000 7.475  0 131 THR   A O    1 ? 
ATOM   1537 C CB   . THR   A 1 91  ? -5.711  16.197 -18.157 1.000 7.685  0 131 THR   A CB   1 ? 
ATOM   1538 O OG1  . THR   A 1 91  ? -4.778  16.763 -19.063 1.000 9.001  0 131 THR   A OG1  1 ? 
ATOM   1539 C CG2  . THR   A 1 91  ? -7.098  16.788 -18.396 1.000 8.817  0 131 THR   A CG2  1 ? 
ATOM   1540 H H    . THR   A 1 91  ? -3.566  15.170 -17.224 1.000 7.422  0 131 THR   A H    1 c 
ATOM   1541 H HA   . THR   A 1 91  ? -5.088  17.402 -16.604 1.000 7.711  0 131 THR   A HA   1 c 
ATOM   1542 H HB   . THR   A 1 91  ? -5.735  15.222 -18.319 1.000 7.685  0 131 THR   A HB   1 c 
ATOM   1543 H HG1  . THR   A 1 91  ? -5.036  16.634 -19.851 0.000 9.001  0 131 THR   A HG1  1 c 
ATOM   1544 H HG21 . THR   A 1 91  ? -7.748  16.365 -17.782 1.000 8.817  0 131 THR   A HG21 1 c 
ATOM   1545 H HG22 . THR   A 1 91  ? -7.374  16.619 -19.331 1.000 8.817  0 131 THR   A HG22 1 c 
ATOM   1546 H HG23 . THR   A 1 91  ? -7.076  17.763 -18.231 1.000 8.817  0 131 THR   A HG23 1 c 
ATOM   1547 N N    . MET   A 1 92  ? -6.405  14.681 -15.508 1.000 7.080  0 132 MET   A N    1 ? 
ATOM   1548 C CA   . MET   A 1 92  ? -7.369  14.175 -14.549 1.000 6.869  0 132 MET   A CA   1 ? 
ATOM   1549 C C    . MET   A 1 92  ? -7.149  14.806 -13.173 1.000 6.764  0 132 MET   A C    1 ? 
ATOM   1550 O O    . MET   A 1 92  ? -8.117  15.239 -12.510 1.000 6.922  0 132 MET   A O    1 ? 
ATOM   1551 C CB   . MET   A 1 92  ? -7.228  12.666 -14.465 1.000 6.790  0 132 MET   A CB   1 ? 
ATOM   1552 C CG   . MET   A 1 92  ? -8.142  12.027 -13.444 1.000 7.448  0 132 MET   A CG   1 ? 
ATOM   1553 S SD   . MET   A 1 92  ? -7.897  10.257 -13.258 1.000 8.080  0 132 MET   A SD   1 ? 
ATOM   1554 C CE   . MET   A 1 92  ? -6.435  10.254 -12.233 1.000 11.370 0 132 MET   A CE   1 ? 
ATOM   1555 H H    . MET   A 1 92  ? -5.832  14.027 -16.022 1.000 7.080  0 132 MET   A H    1 c 
ATOM   1556 H HA   . MET   A 1 92  ? -8.273  14.419 -14.856 1.000 6.869  0 132 MET   A HA   1 c 
ATOM   1557 H HB2  . MET   A 1 92  ? -7.421  12.284 -15.345 1.000 6.790  0 132 MET   A HB2  1 c 
ATOM   1558 H HB3  . MET   A 1 92  ? -6.301  12.450 -14.239 1.000 6.790  0 132 MET   A HB3  1 c 
ATOM   1559 H HG2  . MET   A 1 92  ? -7.996  12.450 -12.571 1.000 7.448  0 132 MET   A HG2  1 c 
ATOM   1560 H HG3  . MET   A 1 92  ? -9.075  12.182 -13.705 1.000 7.448  0 132 MET   A HG3  1 c 
ATOM   1561 H HE1  . MET   A 1 92  ? -6.178  9.348  -12.046 1.000 11.370 0 132 MET   A HE1  1 c 
ATOM   1562 H HE2  . MET   A 1 92  ? -5.721  10.701 -12.694 1.000 11.370 0 132 MET   A HE2  1 c 
ATOM   1563 H HE3  . MET   A 1 92  ? -6.622  10.714 -11.405 1.000 11.370 0 132 MET   A HE3  1 c 
ATOM   1564 N N    . PHE   A 1 93  ? -5.906  14.843 -12.709 1.000 6.606  0 133 PHE   A N    1 ? 
ATOM   1565 C CA   . PHE   A 1 93  ? -5.672  15.429 -11.386 1.000 7.053  0 133 PHE   A CA   1 ? 
ATOM   1566 C C    . PHE   A 1 93  ? -5.950  16.936 -11.386 1.000 7.159  0 133 PHE   A C    1 ? 
ATOM   1567 O O    . PHE   A 1 93  ? -6.590  17.444 -10.470 1.000 7.317  0 133 PHE   A O    1 ? 
ATOM   1568 C CB   . PHE   A 1 93  ? -4.239  15.110 -10.920 1.000 7.764  0 133 PHE   A CB   1 ? 
ATOM   1569 C CG   . PHE   A 1 93  ? -3.986  13.667 -10.643 1.000 7.527  0 133 PHE   A CG   1 ? 
ATOM   1570 C CD1  . PHE   A 1 93  ? -4.726  13.019 -9.662  1.000 8.475  0 133 PHE   A CD1  1 ? 
ATOM   1571 C CD2  . PHE   A 1 93  ? -3.019  12.922 -11.313 1.000 8.159  0 133 PHE   A CD2  1 ? 
ATOM   1572 C CE1  . PHE   A 1 93  ? -4.526  11.685 -9.359  1.000 9.370  0 133 PHE   A CE1  1 ? 
ATOM   1573 C CE2  . PHE   A 1 93  ? -2.823  11.580 -11.015 1.000 8.317  0 133 PHE   A CE2  1 ? 
ATOM   1574 C CZ   . PHE   A 1 93  ? -3.577  10.983 -10.048 1.000 8.606  0 133 PHE   A CZ   1 ? 
ATOM   1575 H H    . PHE   A 1 93  ? -5.122  14.483 -13.234 1.000 6.606  0 133 PHE   A H    1 c 
ATOM   1576 H HA   . PHE   A 1 93  ? -6.296  15.010 -10.740 1.000 7.053  0 133 PHE   A HA   1 c 
ATOM   1577 H HB2  . PHE   A 1 93  ? -3.613  15.417 -11.609 1.000 7.764  0 133 PHE   A HB2  1 c 
ATOM   1578 H HB3  . PHE   A 1 93  ? -4.055  15.628 -10.109 1.000 7.764  0 133 PHE   A HB3  1 c 
ATOM   1579 H HD1  . PHE   A 1 93  ? -5.382  13.498 -9.180  1.000 8.475  0 133 PHE   A HD1  1 c 
ATOM   1580 H HD2  . PHE   A 1 93  ? -2.492  13.337 -11.977 1.000 8.159  0 133 PHE   A HD2  1 c 
ATOM   1581 H HE1  . PHE   A 1 93  ? -5.046  11.274 -8.687  1.000 9.370  0 133 PHE   A HE1  1 c 
ATOM   1582 H HE2  . PHE   A 1 93  ? -2.172  11.079 -11.480 1.000 8.317  0 133 PHE   A HE2  1 c 
ATOM   1583 H HZ   . PHE   A 1 93  ? -3.430  10.071 -9.852  1.000 8.606  0 133 PHE   A HZ   1 c 
ATOM   1584 N N    . THR   A 1 94  ? -5.494  17.646 -12.413 1.000 7.185  0 134 THR   A N    1 ? 
ATOM   1585 C CA   . THR   A 1 94  ? -5.773  19.068 -12.511 1.000 7.343  0 134 THR   A CA   1 ? 
ATOM   1586 C C    . THR   A 1 94  ? -7.266  19.346 -12.416 1.000 7.606  0 134 THR   A C    1 ? 
ATOM   1587 O O    . THR   A 1 94  ? -7.685  20.254 -11.691 1.000 7.790  0 134 THR   A O    1 ? 
ATOM   1588 C CB   . THR   A 1 94  ? -5.221  19.624 -13.840 1.000 7.869  0 134 THR   A CB   1 ? 
ATOM   1589 O OG1  . THR   A 1 94  ? -3.798  19.508 -13.775 1.000 9.054  0 134 THR   A OG1  1 ? 
ATOM   1590 C CG2  . THR   A 1 94  ? -5.602  21.075 -14.051 1.000 10.054 0 134 THR   A CG2  1 ? 
ATOM   1591 H H    . THR   A 1 94  ? -4.948  17.200 -13.136 1.000 7.185  0 134 THR   A H    1 c 
ATOM   1592 H HA   . THR   A 1 94  ? -5.334  19.519 -11.749 1.000 7.343  0 134 THR   A HA   1 c 
ATOM   1593 H HB   . THR   A 1 94  ? -5.588  19.080 -14.580 1.000 7.869  0 134 THR   A HB   1 c 
ATOM   1594 H HG1  . THR   A 1 94  ? -3.459  19.802 -14.484 0.000 9.054  0 134 THR   A HG1  1 c 
ATOM   1595 H HG21 . THR   A 1 94  ? -6.587  21.160 -14.069 1.000 10.054 0 134 THR   A HG21 1 c 
ATOM   1596 H HG22 . THR   A 1 94  ? -5.231  21.393 -14.911 1.000 10.054 0 134 THR   A HG22 1 c 
ATOM   1597 H HG23 . THR   A 1 94  ? -5.238  21.624 -13.313 1.000 10.054 0 134 THR   A HG23 1 c 
ATOM   1598 N N    . ASN   A 1 95  ? -8.052  18.561 -13.149 1.000 7.264  0 135 ASN   A N    1 ? 
ATOM   1599 C CA   . ASN   A 1 95  ? -9.502  18.795 -13.142 1.000 7.132  0 135 ASN   A CA   1 ? 
ATOM   1600 C C    . ASN   A 1 95  ? -10.025 18.746 -11.723 1.000 7.501  0 135 ASN   A C    1 ? 
ATOM   1601 O O    . ASN   A 1 95  ? -10.840 19.573 -11.311 1.000 7.948  0 135 ASN   A O    1 ? 
ATOM   1602 C CB   . ASN   A 1 95  ? -10.205 17.722 -13.988 1.000 7.369  0 135 ASN   A CB   1 ? 
ATOM   1603 C CG   . ASN   A 1 95  ? -9.904  17.853 -15.457 1.000 7.659  0 135 ASN   A CG   1 ? 
ATOM   1604 O OD1  . ASN   A 1 95  ? -9.409  18.881 -15.926 1.000 8.027  0 135 ASN   A OD1  1 ? 
ATOM   1605 N ND2  . ASN   A 1 95  ? -10.322 16.858 -16.232 1.000 8.212  0 135 ASN   A ND2  1 ? 
ATOM   1606 H H    . ASN   A 1 95  ? -7.677  17.809 -13.710 1.000 7.264  0 135 ASN   A H    1 c 
ATOM   1607 H HA   . ASN   A 1 95  ? -9.675  19.694 -13.509 1.000 7.132  0 135 ASN   A HA   1 c 
ATOM   1608 H HB2  . ASN   A 1 95  ? -9.922  16.838 -13.678 1.000 7.369  0 135 ASN   A HB2  1 c 
ATOM   1609 H HB3  . ASN   A 1 95  ? -11.172 17.792 -13.849 1.000 7.369  0 135 ASN   A HB3  1 c 
ATOM   1610 H HD21 . ASN   A 1 95  ? -10.172 16.883 -17.103 1.000 8.212  0 135 ASN   A HD21 1 c 
ATOM   1611 H HD22 . ASN   A 1 95  ? -10.750 16.171 -15.877 1.000 8.212  0 135 ASN   A HD22 1 c 
ATOM   1612 N N    . CYS   A 1 96  ? -9.593  17.732 -10.967 1.000 7.317  0 136 CYS   A N    1 ? 
ATOM   1613 C CA   . CYS   A 1 96  ? -10.078 17.572 -9.603  1.000 7.238  0 136 CYS   A CA   1 ? 
ATOM   1614 C C    . CYS   A 1 96  ? -9.696  18.770 -8.745  1.000 7.132  0 136 CYS   A C    1 ? 
ATOM   1615 O O    . CYS   A 1 96  ? -10.547 19.257 -7.976  1.000 8.369  0 136 CYS   A O    1 ? 
ATOM   1616 C CB   . CYS   A 1 96  ? -9.530  16.272 -9.033  1.000 7.396  0 136 CYS   A CB   1 ? 
ATOM   1617 S SG   . CYS   A 1 96  ? -10.235 15.816 -7.441  1.000 9.001  0 136 CYS   A SG   1 ? 
ATOM   1618 H H    . CYS   A 1 96  ? -8.927  17.068 -11.334 1.000 7.317  0 136 CYS   A H    1 c 
ATOM   1619 H HA   . CYS   A 1 96  ? -11.065 17.522 -9.634  1.000 7.238  0 136 CYS   A HA   1 c 
ATOM   1620 H HB2  . CYS   A 1 96  ? -9.707  15.538 -9.672  1.000 7.396  0 136 CYS   A HB2  1 c 
ATOM   1621 H HB3  . CYS   A 1 96  ? -8.550  16.353 -8.926  1.000 7.396  0 136 CYS   A HB3  1 c 
ATOM   1622 H HG   . CYS   A 1 96  ? -9.632  14.823 -7.291  0.000 9.001  0 136 CYS   A HG   1 c 
ATOM   1623 N N    . TYR   A 1 97  ? -8.480  19.216 -8.842  1.000 7.053  0 137 TYR   A N    1 ? 
ATOM   1624 C CA   . TYR   A 1 97  ? -7.959  20.292 -7.983  1.000 7.869  0 137 TYR   A CA   1 ? 
ATOM   1625 C C    . TYR   A 1 97  ? -8.558  21.646 -8.321  1.000 7.738  0 137 TYR   A C    1 ? 
ATOM   1626 O O    . TYR   A 1 97  ? -8.617  22.510 -7.440  1.000 9.133  0 137 TYR   A O    1 ? 
ATOM   1627 C CB   . TYR   A 1 97  ? -6.465  20.345 -8.043  1.000 8.080  0 137 TYR   A CB   1 ? 
ATOM   1628 C CG   . TYR   A 1 97  ? -5.748  19.123 -7.531  1.000 8.001  0 137 TYR   A CG   1 ? 
ATOM   1629 C CD1  . TYR   A 1 97  ? -6.112  18.489 -6.342  1.000 11.317 0 137 TYR   A CD1  1 ? 
ATOM   1630 C CD2  . TYR   A 1 97  ? -4.725  18.533 -8.253  1.000 8.448  0 137 TYR   A CD2  1 ? 
ATOM   1631 C CE1  . TYR   A 1 97  ? -5.410  17.377 -5.864  1.000 12.396 0 137 TYR   A CE1  1 ? 
ATOM   1632 C CE2  . TYR   A 1 97  ? -4.020  17.460 -7.779  1.000 9.422  0 137 TYR   A CE2  1 ? 
ATOM   1633 C CZ   . TYR   A 1 97  ? -4.355  16.885 -6.595  1.000 9.554  0 137 TYR   A CZ   1 ? 
ATOM   1634 O OH   . TYR   A 1 97  ? -3.637  15.835 -6.083  1.000 12.080 0 137 TYR   A OH   1 ? 
ATOM   1635 H H    . TYR   A 1 97  ? -7.874  18.803 -9.537  1.000 7.053  0 137 TYR   A H    1 c 
ATOM   1636 H HA   . TYR   A 1 97  ? -8.204  20.093 -7.044  1.000 7.869  0 137 TYR   A HA   1 c 
ATOM   1637 H HB2  . TYR   A 1 97  ? -6.197  20.493 -8.974  1.000 8.080  0 137 TYR   A HB2  1 c 
ATOM   1638 H HB3  . TYR   A 1 97  ? -6.161  21.121 -7.527  1.000 8.080  0 137 TYR   A HB3  1 c 
ATOM   1639 H HD1  . TYR   A 1 97  ? -6.831  18.832 -5.837  1.000 11.317 0 137 TYR   A HD1  1 c 
ATOM   1640 H HD2  . TYR   A 1 97  ? -4.510  18.887 -9.100  1.000 8.448  0 137 TYR   A HD2  1 c 
ATOM   1641 H HE1  . TYR   A 1 97  ? -5.671  16.962 -5.058  1.000 12.396 0 137 TYR   A HE1  1 c 
ATOM   1642 H HE2  . TYR   A 1 97  ? -3.296  17.122 -8.280  1.000 9.422  0 137 TYR   A HE2  1 c 
ATOM   1643 H HH   . TYR   A 1 97  ? -3.958  15.603 -5.322  0.000 12.080 0 137 TYR   A HH   1 c 
ATOM   1644 N N    . ILE   A 1 98  ? -8.880  21.893 -9.577  1.000 7.922  0 138 ILE   A N    1 ? 
ATOM   1645 C CA   . ILE   A 1 98  ? -9.402  23.215 -9.951  1.000 8.448  0 138 ILE   A CA   1 ? 
ATOM   1646 C C    . ILE   A 1 98  ? -10.903 23.310 -9.719  1.000 9.475  0 138 ILE   A C    1 ? 
ATOM   1647 O O    . ILE   A 1 98  ? -11.402 24.434 -9.558  1.000 10.607 0 138 ILE   A O    1 ? 
ATOM   1648 C CB   . ILE   A 1 98  ? -8.969  23.686 -11.368 1.000 9.606  0 138 ILE   A CB   1 ? 
ATOM   1649 C CG1  . ILE   A 1 98  ? -9.689  22.944 -12.476 1.000 9.422  0 138 ILE   A CG1  1 ? 
ATOM   1650 C CG2  . ILE   A 1 98  ? -7.439  23.662 -11.457 1.000 10.264 0 138 ILE   A CG2  1 ? 
ATOM   1651 C CD1  . ILE   A 1 98  ? -9.479  23.506 -13.834 1.000 11.528 0 138 ILE   A CD1  1 ? 
ATOM   1652 H H    . ILE   A 1 98  ? -8.774  21.186 -10.290 1.000 7.922  0 138 ILE   A H    1 c 
ATOM   1653 H HA   . ILE   A 1 98  ? -8.980  23.884 -9.383  1.000 8.448  0 138 ILE   A HA   1 c 
ATOM   1654 H HB   . ILE   A 1 98  ? -9.273  24.621 -11.475 1.000 9.606  0 138 ILE   A HB   1 c 
ATOM   1655 H HG12 . ILE   A 1 98  ? -9.387  22.011 -12.477 1.000 9.422  0 138 ILE   A HG12 1 c 
ATOM   1656 H HG13 . ILE   A 1 98  ? -10.651 22.949 -12.284 1.000 9.422  0 138 ILE   A HG13 1 c 
ATOM   1657 H HG21 . ILE   A 1 98  ? -7.063  24.260 -10.788 1.000 10.264 0 138 ILE   A HG21 1 c 
ATOM   1658 H HG22 . ILE   A 1 98  ? -7.158  23.958 -12.340 1.000 10.264 0 138 ILE   A HG22 1 c 
ATOM   1659 H HG23 . ILE   A 1 98  ? -7.116  22.757 -11.301 1.000 10.264 0 138 ILE   A HG23 1 c 
ATOM   1660 H HD11 . ILE   A 1 98  ? -9.797  24.425 -13.859 1.000 11.528 0 138 ILE   A HD11 1 c 
ATOM   1661 H HD12 . ILE   A 1 98  ? -9.971  22.977 -14.485 1.000 11.528 0 138 ILE   A HD12 1 c 
ATOM   1662 H HD13 . ILE   A 1 98  ? -8.531  23.486 -14.052 1.000 11.528 0 138 ILE   A HD13 1 c 
ATOM   1663 N N    . TYR   A 1 99  ? -11.593 22.193 -9.707  1.000 9.291  0 139 TYR   A N    1 ? 
ATOM   1664 C CA   . TYR   A 1 99  ? -13.056 22.185 -9.521  1.000 10.370 0 139 TYR   A CA   1 ? 
ATOM   1665 C C    . TYR   A 1 99  ? -13.446 22.117 -8.047  1.000 9.712  0 139 TYR   A C    1 ? 
ATOM   1666 O O    . TYR   A 1 99  ? -14.373 22.777 -7.599  1.000 11.212 0 139 TYR   A O    1 ? 
ATOM   1667 C CB   . TYR   A 1 99  ? -13.699 21.048 -10.326 1.000 10.238 0 139 TYR   A CB   1 ? 
ATOM   1668 C CG   . TYR   A 1 99  ? -15.166 20.949 -10.082 1.000 10.080 0 139 TYR   A CG   1 ? 
ATOM   1669 C CD1  . TYR   A 1 99  ? -16.078 21.794 -10.733 1.000 10.764 0 139 TYR   A CD1  1 ? 
ATOM   1670 C CD2  . TYR   A 1 99  ? -15.654 20.045 -9.165  1.000 11.238 0 139 TYR   A CD2  1 ? 
ATOM   1671 C CE1  . TYR   A 1 99  ? -17.449 21.751 -10.419 1.000 11.633 0 139 TYR   A CE1  1 ? 
ATOM   1672 C CE2  . TYR   A 1 99  ? -16.989 20.017 -8.824  1.000 12.817 0 139 TYR   A CE2  1 ? 
ATOM   1673 C CZ   . TYR   A 1 99  ? -17.879 20.852 -9.437  1.000 12.186 0 139 TYR   A CZ   1 ? 
ATOM   1674 O OH   . TYR   A 1 99  ? -19.221 20.828 -9.124  1.000 15.581 0 139 TYR   A OH   1 ? 
ATOM   1675 H H    . TYR   A 1 99  ? -11.107 21.316 -9.829  1.000 9.291  0 139 TYR   A H    1 c 
ATOM   1676 H HA   . TYR   A 1 99  ? -13.425 23.030 -9.883  1.000 10.370 0 139 TYR   A HA   1 c 
ATOM   1677 H HB2  . TYR   A 1 99  ? -13.523 21.204 -11.277 1.000 10.238 0 139 TYR   A HB2  1 c 
ATOM   1678 H HB3  . TYR   A 1 99  ? -13.257 20.208 -10.083 1.000 10.238 0 139 TYR   A HB3  1 c 
ATOM   1679 H HD1  . TYR   A 1 99  ? -15.757 22.440 -11.340 1.000 10.764 0 139 TYR   A HD1  1 c 
ATOM   1680 H HD2  . TYR   A 1 99  ? -15.063 19.431 -8.761  1.000 11.238 0 139 TYR   A HD2  1 c 
ATOM   1681 H HE1  . TYR   A 1 99  ? -18.055 22.322 -10.862 1.000 11.633 0 139 TYR   A HE1  1 c 
ATOM   1682 H HE2  . TYR   A 1 99  ? -17.287 19.414 -8.163  1.000 12.817 0 139 TYR   A HE2  1 c 
ATOM   1683 H HH   . TYR   A 1 99  ? -19.644 21.402 -9.601  0.000 15.581 0 139 TYR   A HH   1 c 
ATOM   1684 N N    . ASN   A 1 100 ? -12.805 21.215 -7.307  1.000 10.449 0 140 ASN   A N    1 ? 
ATOM   1685 C CA   . ASN   A 1 100 ? -13.240 20.852 -5.943  1.000 10.607 0 140 ASN   A CA   1 ? 
ATOM   1686 C C    . ASN   A 1 100 ? -12.661 21.766 -4.868  1.000 11.238 0 140 ASN   A C    1 ? 
ATOM   1687 O O    . ASN   A 1 100 ? -11.633 22.379 -5.037  1.000 13.660 0 140 ASN   A O    1 ? 
ATOM   1688 C CB   . ASN   A 1 100 ? -12.923 19.393 -5.673  1.000 10.343 0 140 ASN   A CB   1 ? 
ATOM   1689 C CG   . ASN   A 1 100 ? -13.778 18.493 -6.519  1.000 9.685  0 140 ASN   A CG   1 ? 
ATOM   1690 O OD1  . ASN   A 1 100 ? -15.010 18.427 -6.287  1.000 10.580 0 140 ASN   A OD1  1 ? 
ATOM   1691 N ND2  . ASN   A 1 100 ? -13.193 17.801 -7.475  1.000 9.580  0 140 ASN   A ND2  1 ? 
ATOM   1692 H H    . ASN   A 1 100 ? -11.990 20.765 -7.700  1.000 10.449 0 140 ASN   A H    1 c 
ATOM   1693 H HA   . ASN   A 1 100 ? -14.221 20.936 -5.895  1.000 10.607 0 140 ASN   A HA   1 c 
ATOM   1694 H HB2  . ASN   A 1 100 ? -11.976 19.234 -5.862  1.000 10.343 0 140 ASN   A HB2  1 c 
ATOM   1695 H HB3  . ASN   A 1 100 ? -13.073 19.206 -4.724  1.000 10.343 0 140 ASN   A HB3  1 c 
ATOM   1696 H HD21 . ASN   A 1 100 ? -13.672 17.263 -7.988  1.000 9.580  0 140 ASN   A HD21 1 c 
ATOM   1697 H HD22 . ASN   A 1 100 ? -12.321 17.874 -7.604  1.000 9.580  0 140 ASN   A HD22 1 c 
ATOM   1698 N N    . LYS   A 1 101 ? -13.353 21.743 -3.735  1.000 12.501 0 141 LYS   A N    1 ? 
ATOM   1699 C CA   . LYS   A 1 101 ? -12.890 22.536 -2.573  1.000 12.265 0 141 LYS   A CA   1 ? 
ATOM   1700 C C    . LYS   A 1 101 ? -11.664 21.856 -1.965  1.000 11.686 0 141 LYS   A C    1 ? 
ATOM   1701 O O    . LYS   A 1 101 ? -11.674 20.653 -1.766  1.000 13.344 0 141 LYS   A O    1 ? 
ATOM   1702 C CB   . LYS   A 1 101 ? -14.004 22.644 -1.530  1.000 12.738 0 141 LYS   A CB   1 ? 
ATOM   1703 C CG   . LYS   A 1 101 ? -15.293 23.315 -1.984  1.000 18.292 0 141 LYS   A CG   1 ? 
ATOM   1704 C CD   . LYS   A 1 101 ? -16.326 23.408 -0.865  1.000 23.003 0 141 LYS   A CD   1 ? 
ATOM   1705 C CE   . LYS   A 1 101 ? -17.644 23.984 -1.337  1.000 29.082 0 141 LYS   A CE   1 ? 
ATOM   1706 N NZ   . LYS   A 1 101 ? -18.442 22.985 -2.078  1.000 36.083 0 141 LYS   A NZ   1 ? 
ATOM   1707 H H    . LYS   A 1 101 ? -14.195 21.191 -3.651  1.000 12.502 0 141 LYS   A H    1 c 
ATOM   1708 H HA   . LYS   A 1 101 ? -12.635 23.433 -2.889  1.000 12.265 0 141 LYS   A HA   1 c 
ATOM   1709 H HB2  . LYS   A 1 101 ? -14.225 21.743 -1.215  1.000 12.738 0 141 LYS   A HB2  1 c 
ATOM   1710 H HB3  . LYS   A 1 101 ? -13.660 23.138 -0.757  1.000 12.738 0 141 LYS   A HB3  1 c 
ATOM   1711 H HG2  . LYS   A 1 101 ? -15.080 24.218 -2.304  1.000 18.292 0 141 LYS   A HG2  1 c 
ATOM   1712 H HG3  . LYS   A 1 101 ? -15.669 22.799 -2.729  1.000 18.292 0 141 LYS   A HG3  1 c 
ATOM   1713 H HD2  . LYS   A 1 101 ? -16.480 22.512 -0.496  1.000 23.003 0 141 LYS   A HD2  1 c 
ATOM   1714 H HD3  . LYS   A 1 101 ? -15.968 23.971 -0.145  1.000 23.003 0 141 LYS   A HD3  1 c 
ATOM   1715 H HE2  . LYS   A 1 101 ? -18.159 24.296 -0.568  1.000 29.082 0 141 LYS   A HE2  1 c 
ATOM   1716 H HE3  . LYS   A 1 101 ? -17.477 24.751 -1.917  1.000 29.082 0 141 LYS   A HE3  1 c 
ATOM   1717 H HZ1  . LYS   A 1 101 ? -17.979 22.700 -2.804  1.000 36.083 0 141 LYS   A HZ1  1 c 
ATOM   1718 H HZ2  . LYS   A 1 101 ? -19.225 23.356 -2.346  1.000 36.083 0 141 LYS   A HZ2  1 c 
ATOM   1719 H HZ3  . LYS   A 1 101 ? -18.619 22.275 -1.542  1.000 36.083 0 141 LYS   A HZ3  1 c 
ATOM   1720 N N    . PRO   A 1 102 ? -10.639 22.632 -1.601  1.000 12.396 0 142 PRO   A N    1 ? 
ATOM   1721 C CA   . PRO   A 1 102 ? -9.411  22.075 -1.104  1.000 13.607 0 142 PRO   A CA   1 ? 
ATOM   1722 C C    . PRO   A 1 102 ? -9.512  21.143 0.096   1.000 16.528 0 142 PRO   A C    1 ? 
ATOM   1723 O O    . PRO   A 1 102 ? -8.700  20.259 0.168   1.000 20.818 0 142 PRO   A O    1 ? 
ATOM   1724 C CB   . PRO   A 1 102 ? -8.547  23.308 -0.770  1.000 15.607 0 142 PRO   A CB   1 ? 
ATOM   1725 C CG   . PRO   A 1 102 ? -9.087  24.365 -1.685  1.000 23.371 0 142 PRO   A CG   1 ? 
ATOM   1726 C CD   . PRO   A 1 102 ? -10.576 24.092 -1.726  1.000 15.239 0 142 PRO   A CD   1 ? 
ATOM   1727 H HA   . PRO   A 1 102 ? -8.965  21.569 -1.828  1.000 13.607 0 142 PRO   A HA   1 c 
ATOM   1728 H HB2  . PRO   A 1 102 ? -8.642  23.559 0.173   1.000 15.607 0 142 PRO   A HB2  1 c 
ATOM   1729 H HB3  . PRO   A 1 102 ? -7.599  23.129 -0.940  1.000 15.607 0 142 PRO   A HB3  1 c 
ATOM   1730 H HG2  . PRO   A 1 102 ? -8.896  25.260 -1.335  1.000 23.371 0 142 PRO   A HG2  1 c 
ATOM   1731 H HG3  . PRO   A 1 102 ? -8.684  24.294 -2.576  1.000 23.371 0 142 PRO   A HG3  1 c 
ATOM   1732 H HD2  . PRO   A 1 102 ? -11.035 24.547 -0.989  1.000 15.239 0 142 PRO   A HD2  1 c 
ATOM   1733 H HD3  . PRO   A 1 102 ? -10.966 24.409 -2.567  1.000 15.239 0 142 PRO   A HD3  1 c 
ATOM   1734 N N    . GLY   A 1 103 ? -10.443 21.376 1.003   1.000 17.213 0 143 GLY   A N    1 ? 
ATOM   1735 C CA   . GLY   A 1 103 ? -10.424 20.387 2.128   1.000 18.923 0 143 GLY   A CA   1 ? 
ATOM   1736 C C    . GLY   A 1 103 ? -11.260 19.112 1.942   1.000 17.581 0 143 GLY   A C    1 ? 
ATOM   1737 O O    . GLY   A 1 103 ? -11.310 18.283 2.862   1.000 17.634 0 143 GLY   A O    1 ? 
ATOM   1738 H H    . GLY   A 1 103 ? -11.129 22.117 1.010   1.000 17.213 0 143 GLY   A H    1 c 
ATOM   1739 H HA2  . GLY   A 1 103 ? -9.491  20.097 2.287   1.000 18.923 0 143 GLY   A HA2  1 c 
ATOM   1740 H HA3  . GLY   A 1 103 ? -10.754 20.827 2.951   1.000 18.923 0 143 GLY   A HA3  1 c 
ATOM   1741 N N    . ASP   A 1 104 ? -11.814 18.884 0.765   1.000 11.501 0 144 ASP   A N    1 ? 
ATOM   1742 C CA   . ASP   A 1 104 ? -12.821 17.845 0.554   1.000 10.922 0 144 ASP   A CA   1 ? 
ATOM   1743 C C    . ASP   A 1 104 ? -12.169 16.474 0.420   1.000 9.975  0 144 ASP   A C    1 ? 
ATOM   1744 O O    . ASP   A 1 104 ? -11.040 16.342 -0.105  1.000 10.159 0 144 ASP   A O    1 ? 
ATOM   1745 C CB   . ASP   A 1 104 ? -13.688 18.165 -0.664  1.000 11.844 0 144 ASP   A CB   1 ? 
ATOM   1746 C CG   . ASP   A 1 104 ? -14.814 19.205 -0.410  1.000 13.686 0 144 ASP   A CG   1 ? 
ATOM   1747 O OD1  . ASP   A 1 104 ? -14.880 19.755 0.675   1.000 15.370 0 144 ASP   A OD1  1 ? 
ATOM   1748 O OD2  . ASP   A 1 104 ? -15.627 19.365 -1.367  1.000 14.818 0 144 ASP   A OD2  1 ? 
ATOM   1749 H H    . ASP   A 1 104 ? -11.525 19.455 -0.016  1.000 11.501 0 144 ASP   A H    1 c 
ATOM   1750 H HA   . ASP   A 1 104 ? -13.417 17.824 1.339   1.000 10.922 0 144 ASP   A HA   1 c 
ATOM   1751 H HB2  . ASP   A 1 104 ? -13.113 18.530 -1.367  1.000 11.844 0 144 ASP   A HB2  1 c 
ATOM   1752 H HB3  . ASP   A 1 104 ? -14.121 17.339 -0.962  1.000 11.844 0 144 ASP   A HB3  1 c 
ATOM   1753 N N    . ASP   A 1 105 ? -12.926 15.455 0.792   1.000 9.896  0 145 ASP   A N    1 ? 
ATOM   1754 C CA   . ASP   A 1 105 ? -12.470 14.073 0.600   1.000 9.922  0 145 ASP   A CA   1 ? 
ATOM   1755 C C    . ASP   A 1 105 ? -12.000 13.783 -0.804  1.000 9.001  0 145 ASP   A C    1 ? 
ATOM   1756 O O    . ASP   A 1 105 ? -11.006 13.091 -0.979  1.000 9.501  0 145 ASP   A O    1 ? 
ATOM   1757 C CB   . ASP   A 1 105 ? -13.561 13.082 0.970   1.000 10.685 0 145 ASP   A CB   1 ? 
ATOM   1758 C CG   . ASP   A 1 105 ? -13.672 12.825 2.449   1.000 12.949 0 145 ASP   A CG   1 ? 
ATOM   1759 O OD1  . ASP   A 1 105 ? -12.852 13.392 3.231   1.000 14.054 0 145 ASP   A OD1  1 ? 
ATOM   1760 O OD2  . ASP   A 1 105 ? -14.543 12.026 2.827   1.000 14.291 0 145 ASP   A OD2  1 ? 
ATOM   1761 H H    . ASP   A 1 105 ? -13.829 15.622 1.213   1.000 9.896  0 145 ASP   A H    1 c 
ATOM   1762 H HA   . ASP   A 1 105 ? -11.701 13.912 1.196   1.000 9.922  0 145 ASP   A HA   1 c 
ATOM   1763 H HB2  . ASP   A 1 105 ? -14.420 13.438 0.666   1.000 10.685 0 145 ASP   A HB2  1 c 
ATOM   1764 H HB3  . ASP   A 1 105 ? -13.365 12.227 0.534   1.000 10.685 0 145 ASP   A HB3  1 c 
ATOM   1765 N N    . ILE   A 1 106 ? -12.703 14.278 -1.813  1.000 8.580  0 146 ILE   A N    1 ? 
ATOM   1766 C CA   . ILE   A 1 106 ? -12.318 13.984 -3.197  1.000 8.422  0 146 ILE   A CA   1 ? 
ATOM   1767 C C    . ILE   A 1 106 ? -10.893 14.471 -3.476  1.000 8.106  0 146 ILE   A C    1 ? 
ATOM   1768 O O    . ILE   A 1 106 ? -10.155 13.835 -4.230  1.000 8.238  0 146 ILE   A O    1 ? 
ATOM   1769 C CB   . ILE   A 1 106 ? -13.369 14.528 -4.186  1.000 9.133  0 146 ILE   A CB   1 ? 
ATOM   1770 C CG1  . ILE   A 1 106 ? -13.118 14.025 -5.603  1.000 9.712  0 146 ILE   A CG1  1 ? 
ATOM   1771 C CG2  . ILE   A 1 106 ? -13.407 16.055 -4.200  1.000 9.501  0 146 ILE   A CG2  1 ? 
ATOM   1772 C CD1  . ILE   A 1 106 ? -13.356 12.585 -5.854  1.000 10.475 0 146 ILE   A CD1  1 ? 
ATOM   1773 H H    . ILE   A 1 106 ? -13.509 14.861 -1.639  1.000 8.580  0 146 ILE   A H    1 c 
ATOM   1774 H HA   . ILE   A 1 106 ? -12.330 13.018 -3.321  1.000 8.422  0 146 ILE   A HA   1 c 
ATOM   1775 H HB   . ILE   A 1 106 ? -14.256 14.219 -3.875  1.000 9.133  0 146 ILE   A HB   1 c 
ATOM   1776 H HG12 . ILE   A 1 106 ? -13.692 14.526 -6.221  1.000 9.712  0 146 ILE   A HG12 1 c 
ATOM   1777 H HG13 . ILE   A 1 106 ? -12.185 14.211 -5.842  1.000 9.712  0 146 ILE   A HG13 1 c 
ATOM   1778 H HG21 . ILE   A 1 106 ? -13.631 16.385 -3.313  1.000 9.501  0 146 ILE   A HG21 1 c 
ATOM   1779 H HG22 . ILE   A 1 106 ? -14.081 16.360 -4.832  1.000 9.501  0 146 ILE   A HG22 1 c 
ATOM   1780 H HG23 . ILE   A 1 106 ? -12.537 16.402 -4.463  1.000 9.501  0 146 ILE   A HG23 1 c 
ATOM   1781 H HD11 . ILE   A 1 106 ? -12.776 12.054 -5.281  1.000 10.475 0 146 ILE   A HD11 1 c 
ATOM   1782 H HD12 . ILE   A 1 106 ? -13.164 12.381 -6.786  1.000 10.475 0 146 ILE   A HD12 1 c 
ATOM   1783 H HD13 . ILE   A 1 106 ? -14.285 12.370 -5.661  1.000 10.475 0 146 ILE   A HD13 1 c 
ATOM   1784 N N    . VAL   A 1 107 ? -10.532 15.626 -2.916  1.000 8.264  0 147 VAL   A N    1 ? 
ATOM   1785 C CA   . VAL   A 1 107 ? -9.178  16.175 -3.111  1.000 8.396  0 147 VAL   A CA   1 ? 
ATOM   1786 C C    . VAL   A 1 107 ? -8.136  15.400 -2.317  1.000 8.817  0 147 VAL   A C    1 ? 
ATOM   1787 O O    . VAL   A 1 107 ? -7.041  15.161 -2.815  1.000 9.527  0 147 VAL   A O    1 ? 
ATOM   1788 C CB   . VAL   A 1 107 ? -9.190  17.690 -2.758  1.000 9.817  0 147 VAL   A CB   1 ? 
ATOM   1789 C CG1  . VAL   A 1 107 ? -7.773  18.239 -2.738  1.000 10.791 0 147 VAL   A CG1  1 ? 
ATOM   1790 C CG2  . VAL   A 1 107 ? -10.077 18.428 -3.699  1.000 11.370 0 147 VAL   A CG2  1 ? 
ATOM   1791 H H    . VAL   A 1 107 ? -11.193 16.136 -2.348  1.000 8.264  0 147 VAL   A H    1 c 
ATOM   1792 H HA   . VAL   A 1 107 ? -8.944  16.089 -4.053  1.000 8.396  0 147 VAL   A HA   1 c 
ATOM   1793 H HB   . VAL   A 1 107 ? -9.563  17.776 -1.846  1.000 9.817  0 147 VAL   A HB   1 c 
ATOM   1794 H HG11 . VAL   A 1 107 ? -7.249  17.762 -2.071  1.000 10.791 0 147 VAL   A HG11 1 c 
ATOM   1795 H HG12 . VAL   A 1 107 ? -7.795  19.186 -2.517  1.000 10.791 0 147 VAL   A HG12 1 c 
ATOM   1796 H HG13 . VAL   A 1 107 ? -7.366  18.121 -3.614  1.000 10.791 0 147 VAL   A HG13 1 c 
ATOM   1797 H HG21 . VAL   A 1 107 ? -9.751  18.315 -4.609  1.000 11.370 0 147 VAL   A HG21 1 c 
ATOM   1798 H HG22 . VAL   A 1 107 ? -10.078 19.374 -3.470  1.000 11.370 0 147 VAL   A HG22 1 c 
ATOM   1799 H HG23 . VAL   A 1 107 ? -10.983 18.078 -3.634  1.000 11.370 0 147 VAL   A HG23 1 c 
ATOM   1800 N N    . LEU   A 1 108 ? -8.478  14.965 -1.101  1.000 9.185  0 148 LEU   A N    1 ? 
ATOM   1801 C CA   . LEU   A 1 108 ? -7.587  14.094 -0.325  1.000 9.896  0 148 LEU   A CA   1 ? 
ATOM   1802 C C    . LEU   A 1 108 ? -7.308  12.820 -1.093  1.000 8.948  0 148 LEU   A C    1 ? 
ATOM   1803 O O    . LEU   A 1 108 ? -6.166  12.342 -1.153  1.000 9.712  0 148 LEU   A O    1 ? 
ATOM   1804 C CB   . LEU   A 1 108 ? -8.219  13.783 1.027   1.000 11.054 0 148 LEU   A CB   1 ? 
ATOM   1805 C CG   . LEU   A 1 108 ? -8.217  14.952 1.987   1.000 18.107 0 148 LEU   A CG   1 ? 
ATOM   1806 C CD1  . LEU   A 1 108 ? -9.033  14.624 3.247   1.000 22.397 0 148 LEU   A CD1  1 ? 
ATOM   1807 C CD2  . LEU   A 1 108 ? -6.816  15.429 2.370   1.000 23.424 0 148 LEU   A CD2  1 ? 
ATOM   1808 H H    . LEU   A 1 108 ? -9.366  15.239 -0.705  1.000 9.185  0 148 LEU   A H    1 c 
ATOM   1809 H HA   . LEU   A 1 108 ? -6.734  14.566 -0.184  1.000 9.896  0 148 LEU   A HA   1 c 
ATOM   1810 H HB2  . LEU   A 1 108 ? -9.140  13.490 0.876   1.000 11.054 0 148 LEU   A HB2  1 c 
ATOM   1811 H HB3  . LEU   A 1 108 ? -7.734  13.034 1.428   1.000 11.054 0 148 LEU   A HB3  1 c 
ATOM   1812 H HG   . LEU   A 1 108 ? -8.666  15.714 1.543   1.000 18.107 0 148 LEU   A HG   1 c 
ATOM   1813 H HD11 . LEU   A 1 108 ? -9.952  14.425 2.996   1.000 22.397 0 148 LEU   A HD11 1 c 
ATOM   1814 H HD12 . LEU   A 1 108 ? -9.019  15.387 3.851   1.000 22.397 0 148 LEU   A HD12 1 c 
ATOM   1815 H HD13 . LEU   A 1 108 ? -8.645  13.851 3.693   1.000 22.397 0 148 LEU   A HD13 1 c 
ATOM   1816 H HD21 . LEU   A 1 108 ? -6.331  14.702 2.797   1.000 23.424 0 148 LEU   A HD21 1 c 
ATOM   1817 H HD22 . LEU   A 1 108 ? -6.886  16.179 2.986   1.000 23.424 0 148 LEU   A HD22 1 c 
ATOM   1818 H HD23 . LEU   A 1 108 ? -6.339  15.710 1.570   1.000 23.424 0 148 LEU   A HD23 1 c 
ATOM   1819 N N    . MET   A 1 109 ? -8.341  12.281 -1.718  1.000 8.554  0 149 MET   A N    1 ? 
ATOM   1820 C CA   . MET   A 1 109 ? -8.210  11.043 -2.502  1.000 8.317  0 149 MET   A CA   1 ? 
ATOM   1821 C C    . MET   A 1 109 ? -7.333  11.290 -3.728  1.000 8.159  0 149 MET   A C    1 ? 
ATOM   1822 O O    . MET   A 1 109 ? -6.430  10.484 -4.011  1.000 8.685  0 149 MET   A O    1 ? 
ATOM   1823 C CB   . MET   A 1 109 ? -9.596  10.570 -2.905  1.000 8.869  0 149 MET   A CB   1 ? 
ATOM   1824 C CG   . MET   A 1 109 ? -10.436 10.086 -1.705  1.000 9.080  0 149 MET   A CG   1 ? 
ATOM   1825 S SD   . MET   A 1 109 ? -12.161 9.895  -2.008  1.000 11.186 0 149 MET   A SD   1 ? 
ATOM   1826 C CE   . MET   A 1 109 ? -12.156 8.252  -2.655  1.000 12.107 0 149 MET   A CE   1 ? 
ATOM   1827 H H    . MET   A 1 109 ? -9.243  12.731 -1.655  1.000 8.554  0 149 MET   A H    1 c 
ATOM   1828 H HA   . MET   A 1 109 ? -7.774  10.362 -1.940  1.000 8.317  0 149 MET   A HA   1 c 
ATOM   1829 H HB2  . MET   A 1 109 ? -10.061 11.307 -3.349  1.000 8.869  0 149 MET   A HB2  1 c 
ATOM   1830 H HB3  . MET   A 1 109 ? -9.503  9.840  -3.549  1.000 8.869  0 149 MET   A HB3  1 c 
ATOM   1831 H HG2  . MET   A 1 109 ? -10.096 9.217  -1.403  1.000 9.080  0 149 MET   A HG2  1 c 
ATOM   1832 H HG3  . MET   A 1 109 ? -10.340 10.723 -0.966  1.000 9.080  0 149 MET   A HG3  1 c 
ATOM   1833 H HE1  . MET   A 1 109 ? -13.054 7.993  -2.876  1.000 12.107 0 149 MET   A HE1  1 c 
ATOM   1834 H HE2  . MET   A 1 109 ? -11.610 8.221  -3.444  1.000 12.107 0 149 MET   A HE2  1 c 
ATOM   1835 H HE3  . MET   A 1 109 ? -11.800 7.647  -1.993  1.000 12.107 0 149 MET   A HE3  1 c 
ATOM   1836 N N    . ALA   A 1 110 ? -7.614  12.369 -4.461  1.000 8.212  0 150 ALA   A N    1 ? 
ATOM   1837 C CA   . ALA   A 1 110 ? -6.784  12.710 -5.628  1.000 8.396  0 150 ALA   A CA   1 ? 
ATOM   1838 C C    . ALA   A 1 110 ? -5.321  12.838 -5.211  1.000 8.264  0 150 ALA   A C    1 ? 
ATOM   1839 O O    . ALA   A 1 110 ? -4.445  12.356 -5.932  1.000 8.527  0 150 ALA   A O    1 ? 
ATOM   1840 C CB   . ALA   A 1 110 ? -7.265  14.016 -6.254  1.000 8.396  0 150 ALA   A CB   1 ? 
ATOM   1841 H H    . ALA   A 1 110 ? -8.397  12.961 -4.224  1.000 8.212  0 150 ALA   A H    1 c 
ATOM   1842 H HA   . ALA   A 1 110 ? -6.856  11.981 -6.287  1.000 8.396  0 150 ALA   A HA   1 c 
ATOM   1843 H HB1  . ALA   A 1 110 ? -6.712  14.231 -7.021  1.000 8.396  0 150 ALA   A HB1  1 c 
ATOM   1844 H HB2  . ALA   A 1 110 ? -8.187  13.919 -6.539  1.000 8.396  0 150 ALA   A HB2  1 c 
ATOM   1845 H HB3  . ALA   A 1 110 ? -7.203  14.732 -5.600  1.000 8.396  0 150 ALA   A HB3  1 c 
ATOM   1846 N N    . GLU   A 1 111 ? -5.045  13.487 -4.083  1.000 8.527  0 151 GLU   A N    1 ? 
ATOM   1847 C CA   . GLU   A 1 111 ? -3.669  13.702 -3.686  1.000 8.948  0 151 GLU   A CA   1 ? 
ATOM   1848 C C    . GLU   A 1 111 ? -2.949  12.391 -3.406  1.000 8.633  0 151 GLU   A C    1 ? 
ATOM   1849 O O    . GLU   A 1 111 ? -1.794  12.228 -3.780  1.000 9.606  0 151 GLU   A O    1 ? 
ATOM   1850 C CB   . GLU   A 1 111 ? -3.585  14.659 -2.492  1.000 10.343 0 151 GLU   A CB   1 ? 
ATOM   1851 C CG   . GLU   A 1 111 ? -2.137  14.989 -2.169  1.000 13.291 0 151 GLU   A CG   1 ? 
ATOM   1852 C CD   . GLU   A 1 111 ? -1.941  15.977 -1.064  1.000 15.818 0 151 GLU   A CD   1 ? 
ATOM   1853 O OE1  . GLU   A 1 111 ? -2.877  16.186 -0.293  1.000 21.660 0 151 GLU   A OE1  1 ? 
ATOM   1854 O OE2  . GLU   A 1 111 ? -0.852  16.531 -0.983  1.000 22.371 0 151 GLU   A OE2  1 ? 
ATOM   1855 H H    . GLU   A 1 111 ? -5.788  13.835 -3.494  1.000 8.527  0 151 GLU   A H    1 c 
ATOM   1856 H HA   . GLU   A 1 111 ? -3.197  14.149 -4.426  1.000 8.948  0 151 GLU   A HA   1 c 
ATOM   1857 H HB2  . GLU   A 1 111 ? -4.079  15.476 -2.712  1.000 10.343 0 151 GLU   A HB2  1 c 
ATOM   1858 H HB3  . GLU   A 1 111 ? -4.017  14.235 -1.721  1.000 10.343 0 151 GLU   A HB3  1 c 
ATOM   1859 H HG2  . GLU   A 1 111 ? -1.669  14.162 -1.925  1.000 13.291 0 151 GLU   A HG2  1 c 
ATOM   1860 H HG3  . GLU   A 1 111 ? -1.704  15.343 -2.975  1.000 13.291 0 151 GLU   A HG3  1 c 
ATOM   1861 N N    . ALA   A 1 112 ? -3.644  11.476 -2.721  1.000 8.896  0 152 ALA   A N    1 ? 
ATOM   1862 C CA   . ALA   A 1 112 ? -2.994  10.196 -2.444  1.000 9.264  0 152 ALA   A CA   1 ? 
ATOM   1863 C C    . ALA   A 1 112 ? -2.700  9.467  -3.756  1.000 8.527  0 152 ALA   A C    1 ? 
ATOM   1864 O O    . ALA   A 1 112 ? -1.633  8.866  -3.926  1.000 9.106  0 152 ALA   A O    1 ? 
ATOM   1865 C CB   . ALA   A 1 112 ? -3.860  9.365  -1.536  1.000 10.580 0 152 ALA   A CB   1 ? 
ATOM   1866 H H    . ALA   A 1 112 ? -4.586  11.631 -2.392  1.000 8.896  0 152 ALA   A H    1 c 
ATOM   1867 H HA   . ALA   A 1 112 ? -2.138  10.372 -1.987  1.000 9.264  0 152 ALA   A HA   1 c 
ATOM   1868 H HB1  . ALA   A 1 112 ? -3.423  8.518  -1.357  1.000 10.580 0 152 ALA   A HB1  1 c 
ATOM   1869 H HB2  . ALA   A 1 112 ? -4.002  9.837  -0.701  1.000 10.580 0 152 ALA   A HB2  1 c 
ATOM   1870 H HB3  . ALA   A 1 112 ? -4.717  9.202  -1.964  1.000 10.580 0 152 ALA   A HB3  1 c 
ATOM   1871 N N    . LEU   A 1 113 ? -3.644  9.472  -4.686  1.000 7.738  0 153 LEU   A N    1 ? 
ATOM   1872 C CA   . LEU   A 1 113 ? -3.406  8.844  -5.989  1.000 7.264  0 153 LEU   A CA   1 ? 
ATOM   1873 C C    . LEU   A 1 113 ? -2.264  9.546  -6.723  1.000 7.317  0 153 LEU   A C    1 ? 
ATOM   1874 O O    . LEU   A 1 113 ? -1.462  8.895  -7.391  1.000 7.869  0 153 LEU   A O    1 ? 
ATOM   1875 C CB   . LEU   A 1 113 ? -4.679  8.858  -6.819  1.000 7.790  0 153 LEU   A CB   1 ? 
ATOM   1876 C CG   . LEU   A 1 113 ? -5.818  8.019  -6.265  1.000 9.159  0 153 LEU   A CG   1 ? 
ATOM   1877 C CD1  . LEU   A 1 113 ? -7.075  8.291  -7.044  1.000 11.343 0 153 LEU   A CD1  1 ? 
ATOM   1878 C CD2  . LEU   A 1 113 ? -5.504  6.524  -6.257  1.000 10.554 0 153 LEU   A CD2  1 ? 
ATOM   1879 H H    . LEU   A 1 113 ? -4.537  9.909  -4.506  1.000 7.738  0 153 LEU   A H    1 c 
ATOM   1880 H HA   . LEU   A 1 113 ? -3.145  7.906  -5.841  1.000 7.264  0 153 LEU   A HA   1 c 
ATOM   1881 H HB2  . LEU   A 1 113 ? -4.983  9.784  -6.900  1.000 7.790  0 153 LEU   A HB2  1 c 
ATOM   1882 H HB3  . LEU   A 1 113 ? -4.464  8.539  -7.718  1.000 7.790  0 153 LEU   A HB3  1 c 
ATOM   1883 H HG   . LEU   A 1 113 ? -5.969  8.290  -5.326  1.000 9.159  0 153 LEU   A HG   1 c 
ATOM   1884 H HD11 . LEU   A 1 113 ? -7.304  9.234  -6.972  1.000 11.343 0 153 LEU   A HD11 1 c 
ATOM   1885 H HD12 . LEU   A 1 113 ? -7.801  7.751  -6.687  1.000 11.343 0 153 LEU   A HD12 1 c 
ATOM   1886 H HD13 . LEU   A 1 113 ? -6.933  8.063  -7.979  1.000 11.343 0 153 LEU   A HD13 1 c 
ATOM   1887 H HD21 . LEU   A 1 113 ? -5.329  6.224  -7.166  1.000 10.554 0 153 LEU   A HD21 1 c 
ATOM   1888 H HD22 . LEU   A 1 113 ? -6.263  6.035  -5.894  1.000 10.554 0 153 LEU   A HD22 1 c 
ATOM   1889 H HD23 . LEU   A 1 113 ? -4.719  6.360  -5.705  1.000 10.554 0 153 LEU   A HD23 1 c 
ATOM   1890 N N    . GLU   A 1 114 ? -2.239  10.866 -6.668  1.000 7.238  0 154 GLU   A N    1 ? 
ATOM   1891 C CA   . GLU   A 1 114 ? -1.218  11.626 -7.407  1.000 7.317  0 154 GLU   A CA   1 ? 
ATOM   1892 C C    . GLU   A 1 114 ? 0.163   11.336 -6.827  1.000 6.948  0 154 GLU   A C    1 ? 
ATOM   1893 O O    . GLU   A 1 114 ? 1.133   11.230 -7.595  1.000 7.764  0 154 GLU   A O    1 ? 
ATOM   1894 C CB   . GLU   A 1 114 ? -1.513  13.105 -7.395  1.000 7.343  0 154 GLU   A CB   1 ? 
ATOM   1895 C CG   . GLU   A 1 114 ? -0.588  13.872 -8.333  1.000 7.869  0 154 GLU   A CG   1 ? 
ATOM   1896 C CD   . GLU   A 1 114 ? -0.668  15.366 -8.267  1.000 8.369  0 154 GLU   A CD   1 ? 
ATOM   1897 O OE1  . GLU   A 1 114 ? -1.167  15.914 -7.282  1.000 9.896  0 154 GLU   A OE1  1 ? 
ATOM   1898 O OE2  . GLU   A 1 114 ? -0.156  15.983 -9.228  1.000 10.080 0 154 GLU   A OE2  1 ? 
ATOM   1899 H H    . GLU   A 1 114 ? -2.922  11.366 -6.117  1.000 7.238  0 154 GLU   A H    1 c 
ATOM   1900 H HA   . GLU   A 1 114 ? -1.231  11.333 -8.347  1.000 7.317  0 154 GLU   A HA   1 c 
ATOM   1901 H HB2  . GLU   A 1 114 ? -2.445  13.239 -7.666  1.000 7.343  0 154 GLU   A HB2  1 c 
ATOM   1902 H HB3  . GLU   A 1 114 ? -1.406  13.437 -6.479  1.000 7.343  0 154 GLU   A HB3  1 c 
ATOM   1903 H HG2  . GLU   A 1 114 ? 0.340   13.617 -8.143  1.000 7.869  0 154 GLU   A HG2  1 c 
ATOM   1904 H HG3  . GLU   A 1 114 ? -0.781  13.606 -9.257  1.000 7.869  0 154 GLU   A HG3  1 c 
ATOM   1905 N N    . LYS   A 1 115 ? 0.298   11.248 -5.499  1.000 8.133  0 155 LYS   A N    1 ? 
ATOM   1906 C CA   . LYS   A 1 115 ? 1.615   10.914 -4.947  1.000 8.159  0 155 LYS   A CA   1 ? 
ATOM   1907 C C    . LYS   A 1 115 ? 2.094   9.577  -5.492  1.000 8.027  0 155 LYS   A C    1 ? 
ATOM   1908 O O    . LYS   A 1 115 ? 3.276   9.438  -5.840  1.000 8.448  0 155 LYS   A O    1 ? 
ATOM   1909 C CB   . LYS   A 1 115 ? 1.568   10.871 -3.403  1.000 9.685  0 155 LYS   A CB   1 ? 
ATOM   1910 C CG   . LYS   A 1 115 ? 1.378   12.196 -2.708  1.000 10.817 0 155 LYS   A CG   1 ? 
ATOM   1911 C CD   . LYS   A 1 115 ? 2.546   13.107 -2.903  1.000 12.949 0 155 LYS   A CD   1 ? 
ATOM   1912 C CE   . LYS   A 1 115 ? 2.423   14.274 -1.963  1.000 14.923 0 155 LYS   A CE   1 ? 
ATOM   1913 N NZ   . LYS   A 1 115 ? 3.410   15.298 -2.309  1.000 17.476 0 155 LYS   A NZ   1 ? 
ATOM   1914 H H    . LYS   A 1 115 ? -0.475  11.404 -4.868  1.000 8.133  0 155 LYS   A H    1 c 
ATOM   1915 H HA   . LYS   A 1 115 ? 2.256   11.609 -5.225  1.000 8.159  0 155 LYS   A HA   1 c 
ATOM   1916 H HB2  . LYS   A 1 115 ? 0.840   10.274 -3.130  1.000 9.685  0 155 LYS   A HB2  1 c 
ATOM   1917 H HB3  . LYS   A 1 115 ? 2.401   10.470 -3.077  1.000 9.685  0 155 LYS   A HB3  1 c 
ATOM   1918 H HG2  . LYS   A 1 115 ? 0.569   12.622 -3.063  1.000 10.817 0 155 LYS   A HG2  1 c 
ATOM   1919 H HG3  . LYS   A 1 115 ? 1.250   12.031 -1.750  1.000 10.817 0 155 LYS   A HG3  1 c 
ATOM   1920 H HD2  . LYS   A 1 115 ? 3.373   12.607 -2.734  1.000 12.949 0 155 LYS   A HD2  1 c 
ATOM   1921 H HD3  . LYS   A 1 115 ? 2.564   13.409 -3.836  1.000 12.949 0 155 LYS   A HD3  1 c 
ATOM   1922 H HE2  . LYS   A 1 115 ? 1.523   14.647 -2.020  1.000 14.923 0 155 LYS   A HE2  1 c 
ATOM   1923 H HE3  . LYS   A 1 115 ? 2.565   13.972 -1.046  1.000 14.923 0 155 LYS   A HE3  1 c 
ATOM   1924 H HZ1  . LYS   A 1 115 ? 4.246   14.952 -2.248  1.000 17.476 0 155 LYS   A HZ1  1 c 
ATOM   1925 H HZ2  . LYS   A 1 115 ? 3.333   16.002 -1.743  1.000 17.476 0 155 LYS   A HZ2  1 c 
ATOM   1926 H HZ3  . LYS   A 1 115 ? 3.270   15.585 -3.158  1.000 17.476 0 155 LYS   A HZ3  1 c 
ATOM   1927 N N    . LEU   A 1 116 ? 1.211   8.600  -5.533  1.000 8.212  0 156 LEU   A N    1 ? 
ATOM   1928 C CA   . LEU   A 1 116 ? 1.565   7.291  -6.036  1.000 8.554  0 156 LEU   A CA   1 ? 
ATOM   1929 C C    . LEU   A 1 116 ? 1.945   7.350  -7.495  1.000 8.106  0 156 LEU   A C    1 ? 
ATOM   1930 O O    . LEU   A 1 116 ? 2.952   6.784  -7.932  1.000 8.843  0 156 LEU   A O    1 ? 
ATOM   1931 C CB   . LEU   A 1 116 ? 0.401   6.366  -5.745  1.000 10.080 0 156 LEU   A CB   1 ? 
ATOM   1932 C CG   . LEU   A 1 116 ? 0.544   4.898  -6.040  1.000 12.212 0 156 LEU   A CG   1 ? 
ATOM   1933 C CD1  . LEU   A 1 116 ? 1.815   4.264  -5.497  1.000 16.581 0 156 LEU   A CD1  1 ? 
ATOM   1934 C CD2  . LEU   A 1 116 ? -0.690  4.163  -5.583  1.000 15.686 0 156 LEU   A CD2  1 ? 
ATOM   1935 H H    . LEU   A 1 116 ? 0.269   8.764  -5.208  1.000 8.212  0 156 LEU   A H    1 c 
ATOM   1936 H HA   . LEU   A 1 116 ? 2.346   6.964  -5.533  1.000 8.554  0 156 LEU   A HA   1 c 
ATOM   1937 H HB2  . LEU   A 1 116 ? 0.180   6.439  -4.795  1.000 10.080 0 156 LEU   A HB2  1 c 
ATOM   1938 H HB3  . LEU   A 1 116 ? -0.374  6.678  -6.253  1.000 10.080 0 156 LEU   A HB3  1 c 
ATOM   1939 H HG   . LEU   A 1 116 ? 0.631   4.789  -7.019  1.000 12.212 0 156 LEU   A HG   1 c 
ATOM   1940 H HD11 . LEU   A 1 116 ? 2.590   4.707  -5.885  1.000 16.581 0 156 LEU   A HD11 1 c 
ATOM   1941 H HD12 . LEU   A 1 116 ? 1.831   3.319  -5.728  1.000 16.581 0 156 LEU   A HD12 1 c 
ATOM   1942 H HD13 . LEU   A 1 116 ? 1.838   4.361  -4.529  1.000 16.581 0 156 LEU   A HD13 1 c 
ATOM   1943 H HD21 . LEU   A 1 116 ? -0.807  4.289  -4.625  1.000 15.686 0 156 LEU   A HD21 1 c 
ATOM   1944 H HD22 . LEU   A 1 116 ? -0.593  3.214  -5.777  1.000 15.686 0 156 LEU   A HD22 1 c 
ATOM   1945 H HD23 . LEU   A 1 116 ? -1.468  4.511  -6.053  1.000 15.686 0 156 LEU   A HD23 1 c 
ATOM   1946 N N    . PHE   A 1 117 ? 1.121   8.040  -8.302  1.000 7.448  0 157 PHE   A N    1 ? 
ATOM   1947 C CA   . PHE   A 1 117 ? 1.416   8.268  -9.717  1.000 7.711  0 157 PHE   A CA   1 ? 
ATOM   1948 C C    . PHE   A 1 117 ? 2.800   8.882  -9.909  1.000 7.554  0 157 PHE   A C    1 ? 
ATOM   1949 O O    . PHE   A 1 117 ? 3.591   8.377  -10.708 1.000 8.080  0 157 PHE   A O    1 ? 
ATOM   1950 C CB   . PHE   A 1 117 ? 0.316   9.182  -10.300 1.000 7.211  0 157 PHE   A CB   1 ? 
ATOM   1951 C CG   . PHE   A 1 117 ? 0.623   9.710  -11.664 1.000 7.317  0 157 PHE   A CG   1 ? 
ATOM   1952 C CD1  . PHE   A 1 117 ? 0.602   8.883  -12.759 1.000 8.290  0 157 PHE   A CD1  1 ? 
ATOM   1953 C CD2  . PHE   A 1 117 ? 0.913   11.047 -11.857 1.000 8.975  0 157 PHE   A CD2  1 ? 
ATOM   1954 C CE1  . PHE   A 1 117 ? 0.882   9.337  -14.022 1.000 10.185 0 157 PHE   A CE1  1 ? 
ATOM   1955 C CE2  . PHE   A 1 117 ? 1.177   11.537 -13.133 1.000 10.238 0 157 PHE   A CE2  1 ? 
ATOM   1956 C CZ   . PHE   A 1 117 ? 1.153   10.657 -14.213 1.000 10.607 0 157 PHE   A CZ   1 ? 
ATOM   1957 H H    . PHE   A 1 117 ? 0.268   8.412  -7.911  1.000 7.448  0 157 PHE   A H    1 c 
ATOM   1958 H HA   . PHE   A 1 117 ? 1.411   7.395  -10.186 1.000 7.711  0 157 PHE   A HA   1 c 
ATOM   1959 H HB2  . PHE   A 1 117 ? -0.523  8.676  -10.331 1.000 7.211  0 157 PHE   A HB2  1 c 
ATOM   1960 H HB3  . PHE   A 1 117 ? 0.180   9.934  -9.686  1.000 7.211  0 157 PHE   A HB3  1 c 
ATOM   1961 H HD1  . PHE   A 1 117 ? 0.391   7.969  -12.649 1.000 8.290  0 157 PHE   A HD1  1 c 
ATOM   1962 H HD2  . PHE   A 1 117 ? 0.932   11.632 -11.117 1.000 8.975  0 157 PHE   A HD2  1 c 
ATOM   1963 H HE1  . PHE   A 1 117 ? 0.858   8.739  -14.752 1.000 10.185 0 157 PHE   A HE1  1 c 
ATOM   1964 H HE2  . PHE   A 1 117 ? 1.366   12.451 -13.275 1.000 10.238 0 157 PHE   A HE2  1 c 
ATOM   1965 H HZ   . PHE   A 1 117 ? 1.347   10.978 -15.079 1.000 10.607 0 157 PHE   A HZ   1 c 
ATOM   1966 N N    . LEU   A 1 118 ? 3.065   9.961  -9.206  1.000 7.869  0 158 LEU   A N    1 ? 
ATOM   1967 C CA   . LEU   A 1 118 ? 4.343   10.681 -9.415  1.000 8.212  0 158 LEU   A CA   1 ? 
ATOM   1968 C C    . LEU   A 1 118 ? 5.527   9.818  -8.979  1.000 8.817  0 158 LEU   A C    1 ? 
ATOM   1969 O O    . LEU   A 1 118 ? 6.567   9.896  -9.630  1.000 9.817  0 158 LEU   A O    1 ? 
ATOM   1970 C CB   . LEU   A 1 118 ? 4.323   12.011 -8.686  1.000 8.738  0 158 LEU   A CB   1 ? 
ATOM   1971 C CG   . LEU   A 1 118 ? 3.337   13.027 -9.268  1.000 9.264  0 158 LEU   A CG   1 ? 
ATOM   1972 C CD1  . LEU   A 1 118 ? 3.235   14.208 -8.336  1.000 11.422 0 158 LEU   A CD1  1 ? 
ATOM   1973 C CD2  . LEU   A 1 118 ? 3.711   13.441 -10.686 1.000 11.554 0 158 LEU   A CD2  1 ? 
ATOM   1974 H H    . LEU   A 1 118 ? 2.409   10.310 -8.522  1.000 7.869  0 158 LEU   A H    1 c 
ATOM   1975 H HA   . LEU   A 1 118 ? 4.440   10.872 -10.376 1.000 8.212  0 158 LEU   A HA   1 c 
ATOM   1976 H HB2  . LEU   A 1 118 ? 4.098   11.845 -7.749  1.000 8.738  0 158 LEU   A HB2  1 c 
ATOM   1977 H HB3  . LEU   A 1 118 ? 5.225   12.388 -8.710  1.000 8.738  0 158 LEU   A HB3  1 c 
ATOM   1978 H HG   . LEU   A 1 118 ? 2.446   12.601 -9.308  1.000 9.264  0 158 LEU   A HG   1 c 
ATOM   1979 H HD11 . LEU   A 1 118 ? 2.920   13.908 -7.465  1.000 11.422 0 158 LEU   A HD11 1 c 
ATOM   1980 H HD12 . LEU   A 1 118 ? 2.610   14.857 -8.702  1.000 11.422 0 158 LEU   A HD12 1 c 
ATOM   1981 H HD13 . LEU   A 1 118 ? 4.110   14.621 -8.239  1.000 11.422 0 158 LEU   A HD13 1 c 
ATOM   1982 H HD21 . LEU   A 1 118 ? 4.596   13.844 -10.684 1.000 11.554 0 158 LEU   A HD21 1 c 
ATOM   1983 H HD22 . LEU   A 1 118 ? 3.061   14.084 -11.018 1.000 11.554 0 158 LEU   A HD22 1 c 
ATOM   1984 H HD23 . LEU   A 1 118 ? 3.714   12.657 -11.263 1.000 11.554 0 158 LEU   A HD23 1 c 
ATOM   1985 N N    . GLN   A 1 119 ? 5.369   9.045  -7.952  1.000 8.369  0 159 GLN   A N    1 ? 
ATOM   1986 C CA   . GLN   A 1 119 ? 6.475   8.139  -7.526  1.000 9.370  0 159 GLN   A CA   1 ? 
ATOM   1987 C C    . GLN   A 1 119 ? 6.719   7.117  -8.608  1.000 9.554  0 159 GLN   A C    1 ? 
ATOM   1988 O O    . GLN   A 1 119 ? 7.866   6.872  -8.979  1.000 10.370 0 159 GLN   A O    1 ? 
ATOM   1989 C CB   . GLN   A 1 119 ? 6.095   7.521  -6.192  1.000 11.107 0 159 GLN   A CB   1 ? 
ATOM   1990 C CG   . GLN   A 1 119 ? 7.323   6.986  -5.479  1.000 16.291 0 159 GLN   A CG   1 ? 
ATOM   1991 C CD   . GLN   A 1 119 ? 7.919   5.752  -5.993  1.000 17.028 0 159 GLN   A CD   1 ? 
ATOM   1992 O OE1  . GLN   A 1 119 ? 9.174   5.601  -6.042  1.000 22.661 0 159 GLN   A OE1  1 ? 
ATOM   1993 N NE2  . GLN   A 1 119 ? 7.067   4.822  -6.301  1.000 16.739 0 159 GLN   A NE2  1 ? 
ATOM   1994 H H    . GLN   A 1 119 ? 4.504   9.045  -7.431  1.000 8.369  0 159 GLN   A H    1 c 
ATOM   1995 H HA   . GLN   A 1 119 ? 7.291   8.677  -7.406  1.000 9.370  0 159 GLN   A HA   1 c 
ATOM   1996 H HB2  . GLN   A 1 119 ? 5.650   8.204  -5.647  1.000 11.107 0 159 GLN   A HB2  1 c 
ATOM   1997 H HB3  . GLN   A 1 119 ? 5.450   6.801  -6.354  1.000 11.107 0 159 GLN   A HB3  1 c 
ATOM   1998 H HG2  . GLN   A 1 119 ? 8.031   7.664  -5.503  1.000 16.291 0 159 GLN   A HG2  1 c 
ATOM   1999 H HG3  . GLN   A 1 119 ? 7.101   6.814  -4.539  1.000 16.291 0 159 GLN   A HG3  1 c 
ATOM   2000 H HE21 . GLN   A 1 119 ? 7.353   4.048  -6.618  1.000 16.739 0 159 GLN   A HE21 1 c 
ATOM   2001 H HE22 . GLN   A 1 119 ? 6.201   4.963  -6.194  1.000 16.739 0 159 GLN   A HE22 1 c 
ATOM   2002 N N    . LYS   A 1 120 ? 5.640   6.519  -9.162  1.000 8.869  0 160 LYS   A N    1 ? 
ATOM   2003 C CA   . LYS   A 1 120 ? 5.864   5.527  -10.228 1.000 9.185  0 160 LYS   A CA   1 ? 
ATOM   2004 C C    . LYS   A 1 120 ? 6.441   6.210  -11.454 1.000 8.817  0 160 LYS   A C    1 ? 
ATOM   2005 O O    . LYS   A 1 120 ? 7.302   5.581  -12.125 1.000 10.185 0 160 LYS   A O    1 ? 
ATOM   2006 C CB   . LYS   A 1 120 ? 4.576   4.782  -10.561 1.000 9.738  0 160 LYS   A CB   1 ? 
ATOM   2007 C CG   . LYS   A 1 120 ? 3.999   3.955  -9.427  1.000 10.896 0 160 LYS   A CG   1 ? 
ATOM   2008 C CD   . LYS   A 1 120 ? 4.962   2.900  -8.917  1.000 12.317 0 160 LYS   A CD   1 ? 
ATOM   2009 C CE   . LYS   A 1 120 ? 4.290   1.950  -7.964  1.000 16.923 0 160 LYS   A CE   1 ? 
ATOM   2010 N NZ   . LYS   A 1 120 ? 5.203   0.976  -7.318  1.000 20.502 0 160 LYS   A NZ   1 ? 
ATOM   2011 H H    . LYS   A 1 120 ? 4.695   6.727  -8.873  1.000 8.869  0 160 LYS   A H    1 c 
ATOM   2012 H HA   . LYS   A 1 120 ? 6.515   4.862  -9.904  1.000 9.185  0 160 LYS   A HA   1 c 
ATOM   2013 H HB2  . LYS   A 1 120 ? 3.904   5.435  -10.849 1.000 9.738  0 160 LYS   A HB2  1 c 
ATOM   2014 H HB3  . LYS   A 1 120 ? 4.745   4.193  -11.326 1.000 9.738  0 160 LYS   A HB3  1 c 
ATOM   2015 H HG2  . LYS   A 1 120 ? 3.764   4.557  -8.689  1.000 10.896 0 160 LYS   A HG2  1 c 
ATOM   2016 H HG3  . LYS   A 1 120 ? 3.182   3.515  -9.745  1.000 10.896 0 160 LYS   A HG3  1 c 
ATOM   2017 H HD2  . LYS   A 1 120 ? 5.323   2.401  -9.680  1.000 12.317 0 160 LYS   A HD2  1 c 
ATOM   2018 H HD3  . LYS   A 1 120 ? 5.713   3.343  -8.467  1.000 12.317 0 160 LYS   A HD3  1 c 
ATOM   2019 H HE2  . LYS   A 1 120 ? 3.850   2.455  -7.254  1.000 16.923 0 160 LYS   A HE2  1 c 
ATOM   2020 H HE3  . LYS   A 1 120 ? 3.605   1.441  -8.438  1.000 16.923 0 160 LYS   A HE3  1 c 
ATOM   2021 H HZ1  . LYS   A 1 120 ? 5.609   0.469  -7.951  1.000 20.502 0 160 LYS   A HZ1  1 c 
ATOM   2022 H HZ2  . LYS   A 1 120 ? 4.733   0.440  -6.758  1.000 20.502 0 160 LYS   A HZ2  1 c 
ATOM   2023 H HZ3  . LYS   A 1 120 ? 5.836   1.418  -6.842  1.000 20.502 0 160 LYS   A HZ3  1 c 
ATOM   2024 N N    . ILE   A 1 121 ? 6.050   7.425  -11.782 1.000 9.027  0 161 ILE   A N    1 ? 
ATOM   2025 C CA   . ILE   A 1 121 ? 6.638   8.110  -12.971 1.000 10.185 0 161 ILE   A CA   1 ? 
ATOM   2026 C C    . ILE   A 1 121 ? 8.100   8.439  -12.726 1.000 10.343 0 161 ILE   A C    1 ? 
ATOM   2027 O O    . ILE   A 1 121 ? 8.876   8.442  -13.689 1.000 12.107 0 161 ILE   A O    1 ? 
ATOM   2028 C CB   . ILE   A 1 121 ? 5.807   9.365  -13.336 1.000 11.633 0 161 ILE   A CB   1 ? 
ATOM   2029 C CG1  . ILE   A 1 121 ? 4.395   8.975  -13.776 1.000 11.370 0 161 ILE   A CG1  1 ? 
ATOM   2030 C CG2  . ILE   A 1 121 ? 6.514   10.218 -14.364 1.000 13.265 0 161 ILE   A CG2  1 ? 
ATOM   2031 C CD1  . ILE   A 1 121 ? 4.344   8.060  -14.988 1.000 11.975 0 161 ILE   A CD1  1 ? 
ATOM   2032 H H    . ILE   A 1 121 ? 5.350   7.904  -11.234 1.000 9.027  0 161 ILE   A H    1 c 
ATOM   2033 H HA   . ILE   A 1 121 ? 6.594   7.501  -13.730 1.000 10.185 0 161 ILE   A HA   1 c 
ATOM   2034 H HB   . ILE   A 1 121 ? 5.717   9.909  -12.515 1.000 11.633 0 161 ILE   A HB   1 c 
ATOM   2035 H HG12 . ILE   A 1 121 ? 3.945   8.526  -13.029 1.000 11.370 0 161 ILE   A HG12 1 c 
ATOM   2036 H HG13 . ILE   A 1 121 ? 3.893   9.792  -13.982 1.000 11.370 0 161 ILE   A HG13 1 c 
ATOM   2037 H HG21 . ILE   A 1 121 ? 7.371   10.513 -14.011 1.000 13.265 0 161 ILE   A HG21 1 c 
ATOM   2038 H HG22 . ILE   A 1 121 ? 5.971   10.998 -14.571 1.000 13.265 0 161 ILE   A HG22 1 c 
ATOM   2039 H HG23 . ILE   A 1 121 ? 6.659   9.700  -15.175 1.000 13.265 0 161 ILE   A HG23 1 c 
ATOM   2040 H HD11 . ILE   A 1 121 ? 4.765   8.501  -15.747 1.000 11.975 0 161 ILE   A HD11 1 c 
ATOM   2041 H HD12 . ILE   A 1 121 ? 3.417   7.858  -15.205 1.000 11.975 0 161 ILE   A HD12 1 c 
ATOM   2042 H HD13 . ILE   A 1 121 ? 4.817   7.233  -14.792 1.000 11.975 0 161 ILE   A HD13 1 c 
ATOM   2043 N N    . ASN   A 1 122 ? 8.491   8.711  -11.505 1.000 10.580 0 162 ASN   A N    1 ? 
ATOM   2044 C CA   . ASN   A 1 122 ? 9.924   8.928  -11.243 1.000 11.475 0 162 ASN   A CA   1 ? 
ATOM   2045 C C    . ASN   A 1 122 ? 10.750  7.696  -11.554 1.000 11.896 0 162 ASN   A C    1 ? 
ATOM   2046 O O    . ASN   A 1 122 ? 11.950  7.839  -11.808 1.000 16.002 0 162 ASN   A O    1 ? 
ATOM   2047 C CB   . ASN   A 1 122 ? 10.059  9.306  -9.760  1.000 12.870 0 162 ASN   A CB   1 ? 
ATOM   2048 C CG   . ASN   A 1 122 ? 11.465  9.696  -9.397  1.000 15.133 0 162 ASN   A CG   1 ? 
ATOM   2049 O OD1  . ASN   A 1 122 ? 11.930  10.746 -9.739  1.000 19.555 0 162 ASN   A OD1  1 ? 
ATOM   2050 N ND2  . ASN   A 1 122 ? 12.192  8.859  -8.732  1.000 17.607 0 162 ASN   A ND2  1 ? 
ATOM   2051 H H    . ASN   A 1 122 ? 7.835   8.776  -10.740 1.000 10.580 0 162 ASN   A H    1 c 
ATOM   2052 H HA   . ASN   A 1 122 ? 10.242  9.654  -11.829 1.000 11.475 0 162 ASN   A HA   1 c 
ATOM   2053 H HB2  . ASN   A 1 122 ? 9.454   10.051 -9.566  1.000 12.870 0 162 ASN   A HB2  1 c 
ATOM   2054 H HB3  . ASN   A 1 122 ? 9.780   8.544  -9.212  1.000 12.870 0 162 ASN   A HB3  1 c 
ATOM   2055 H HD21 . ASN   A 1 122 ? 13.021  9.072  -8.510  1.000 17.607 0 162 ASN   A HD21 1 c 
ATOM   2056 H HD22 . ASN   A 1 122 ? 11.861  8.073  -8.499  1.000 17.607 0 162 ASN   A HD22 1 c 
ATOM   2057 N N    . GLU   A 1 123 ? 10.134  6.523  -11.573 1.000 12.554 0 163 GLU   A N    1 ? 
ATOM   2058 C CA   . GLU   A 1 123 ? 10.764  5.219  -11.909 1.000 12.896 0 163 GLU   A CA   1 ? 
ATOM   2059 C C    . GLU   A 1 123 ? 10.437  4.800  -13.327 1.000 12.738 0 163 GLU   A C    1 ? 
ATOM   2060 O O    . GLU   A 1 123 ? 10.623  3.628  -13.663 1.000 14.502 0 163 GLU   A O    1 ? 
ATOM   2061 C CB   . GLU   A 1 123 ? 10.391  4.170  -10.866 1.000 14.791 0 163 GLU   A CB   1 ? 
ATOM   2062 C CG   . GLU   A 1 123 ? 10.919  4.488  -9.468  1.000 18.028 0 163 GLU   A CG   1 ? 
ATOM   2063 C CD   . GLU   A 1 123 ? 10.657  3.457  -8.390  1.000 19.029 0 163 GLU   A CD   1 ? 
ATOM   2064 O OE1  . GLU   A 1 123 ? 9.914   2.513  -8.584  1.000 19.634 0 163 GLU   A OE1  1 ? 
ATOM   2065 O OE2  . GLU   A 1 123 ? 11.165  3.656  -7.264  1.000 23.450 0 163 GLU   A OE2  1 ? 
ATOM   2066 H H    . GLU   A 1 123 ? 9.153   6.549  -11.334 1.000 12.554 0 163 GLU   A H    1 c 
ATOM   2067 H HA   . GLU   A 1 123 ? 11.742  5.318  -11.841 1.000 12.896 0 163 GLU   A HA   1 c 
ATOM   2068 H HB2  . GLU   A 1 123 ? 9.414   4.102  -10.828 1.000 14.791 0 163 GLU   A HB2  1 c 
ATOM   2069 H HB3  . GLU   A 1 123 ? 10.751  3.304  -11.152 1.000 14.791 0 163 GLU   A HB3  1 c 
ATOM   2070 H HG2  . GLU   A 1 123 ? 11.890  4.618  -9.517  1.000 18.028 0 163 GLU   A HG2  1 c 
ATOM   2071 H HG3  . GLU   A 1 123 ? 10.525  5.334  -9.164  1.000 18.028 0 163 GLU   A HG3  1 c 
ATOM   2072 N N    . LEU   A 1 124 ? 9.961   5.711  -14.190 1.000 11.738 0 164 LEU   A N    1 ? 
ATOM   2073 C CA   . LEU   A 1 124 ? 9.645   5.366  -15.583 1.000 12.817 0 164 LEU   A CA   1 ? 
ATOM   2074 C C    . LEU   A 1 124 ? 10.913  4.821  -16.212 1.000 12.817 0 164 LEU   A C    1 ? 
ATOM   2075 O O    . LEU   A 1 124 ? 11.943  5.461  -16.224 1.000 13.423 0 164 LEU   A O    1 ? 
ATOM   2076 C CB   . LEU   A 1 124 ? 9.189   6.629  -16.326 1.000 14.475 0 164 LEU   A CB   1 ? 
ATOM   2077 C CG   . LEU   A 1 124 ? 8.648   6.451  -17.731 1.000 14.475 0 164 LEU   A CG   1 ? 
ATOM   2078 C CD1  . LEU   A 1 124 ? 7.271   5.787  -17.732 1.000 16.397 0 164 LEU   A CD1  1 ? 
ATOM   2079 C CD2  . LEU   A 1 124 ? 8.462   7.802  -18.423 1.000 17.449 0 164 LEU   A CD2  1 ? 
ATOM   2080 H H    . LEU   A 1 124 ? 9.816   6.659  -13.872 1.000 11.738 0 164 LEU   A H    1 c 
ATOM   2081 H HA   . LEU   A 1 124 ? 8.948   4.670  -15.582 1.000 12.817 0 164 LEU   A HA   1 c 
ATOM   2082 H HB2  . LEU   A 1 124 ? 8.492   7.063  -15.795 1.000 14.475 0 164 LEU   A HB2  1 c 
ATOM   2083 H HB3  . LEU   A 1 124 ? 9.946   7.246  -16.378 1.000 14.475 0 164 LEU   A HB3  1 c 
ATOM   2084 H HG   . LEU   A 1 124 ? 9.309   5.931  -18.250 1.000 14.475 0 164 LEU   A HG   1 c 
ATOM   2085 H HD11 . LEU   A 1 124 ? 7.333   4.910  -17.316 1.000 16.397 0 164 LEU   A HD11 1 c 
ATOM   2086 H HD12 . LEU   A 1 124 ? 6.958   5.691  -18.648 1.000 16.397 0 164 LEU   A HD12 1 c 
ATOM   2087 H HD13 . LEU   A 1 124 ? 6.644   6.338  -17.232 1.000 16.397 0 164 LEU   A HD13 1 c 
ATOM   2088 H HD21 . LEU   A 1 124 ? 7.835   8.344  -17.913 1.000 17.449 0 164 LEU   A HD21 1 c 
ATOM   2089 H HD22 . LEU   A 1 124 ? 8.116   7.662  -19.321 1.000 17.449 0 164 LEU   A HD22 1 c 
ATOM   2090 H HD23 . LEU   A 1 124 ? 9.318   8.261  -18.475 1.000 17.449 0 164 LEU   A HD23 1 c 
ATOM   2091 N N    . PRO   A 1 125 ? 10.874  3.662  -16.895 1.000 13.607 0 165 PRO   A N    1 ? 
ATOM   2092 C CA   . PRO   A 1 125 ? 12.057  3.147  -17.574 1.000 15.318 0 165 PRO   A CA   1 ? 
ATOM   2093 C C    . PRO   A 1 125 ? 12.416  4.072  -18.719 1.000 15.028 0 165 PRO   A C    1 ? 
ATOM   2094 O O    . PRO   A 1 125 ? 11.651  4.714  -19.296 1.000 18.134 0 165 PRO   A O    1 ? 
ATOM   2095 C CB   . PRO   A 1 125 ? 11.681  1.745  -17.995 1.000 19.923 0 165 PRO   A CB   1 ? 
ATOM   2096 C CG   . PRO   A 1 125 ? 10.198  1.759  -17.983 1.000 18.871 0 165 PRO   A CG   1 ? 
ATOM   2097 C CD   . PRO   A 1 125 ? 9.677   2.811  -17.073 1.000 16.370 0 165 PRO   A CD   1 ? 
ATOM   2098 H HA   . PRO   A 1 125 ? 12.801  3.076  -16.925 1.000 15.318 0 165 PRO   A HA   1 c 
ATOM   2099 H HB2  . PRO   A 1 125 ? 12.033  1.539  -18.886 1.000 19.923 0 165 PRO   A HB2  1 c 
ATOM   2100 H HB3  . PRO   A 1 125 ? 12.041  1.082  -17.369 1.000 19.923 0 165 PRO   A HB3  1 c 
ATOM   2101 H HG2  . PRO   A 1 125 ? 9.843   1.935  -18.880 1.000 18.871 0 165 PRO   A HG2  1 c 
ATOM   2102 H HG3  . PRO   A 1 125 ? 9.843   0.897  -17.680 1.000 18.871 0 165 PRO   A HG3  1 c 
ATOM   2103 H HD2  . PRO   A 1 125 ? 8.928   3.290  -17.486 1.000 16.370 0 165 PRO   A HD2  1 c 
ATOM   2104 H HD3  . PRO   A 1 125 ? 9.360   2.420  -16.232 1.000 16.370 0 165 PRO   A HD3  1 c 
ATOM   2105 N N    . THR   A 1 126 ? 13.706  4.110  -19.041 1.000 17.476 0 166 THR   A N    1 ? 
ATOM   2106 C CA   . THR   A 1 126 ? 14.262  4.800  -20.228 0.500 15.870 0 166 THR   A CA   1 ? 
ATOM   2107 C C    . THR   A 1 126 ? 13.769  4.086  -21.491 1.000 20.555 0 166 THR   A C    1 ? 
ATOM   2108 O O    . THR   A 1 126 ? 13.743  2.783  -21.401 1.000 23.134 0 166 THR   A O    1 ? 
ATOM   2109 C CB   . THR   A 1 126 ? 15.794  4.842  -20.141 1.000 25.424 0 166 THR   A CB   1 ? 
ATOM   2110 O OG1  . THR   A 1 126 ? 16.121  5.504  -18.919 1.000 32.899 0 166 THR   A OG1  1 ? 
ATOM   2111 C CG2  . THR   A 1 126 ? 16.354  5.623  -21.292 1.000 27.924 0 166 THR   A CG2  1 ? 
ATOM   2112 H H    . THR   A 1 126 ? 14.333  3.625  -18.415 1.000 17.476 0 166 THR   A H    1 c 
ATOM   2113 H HA   . THR   A 1 126 ? 13.920  5.728  -20.231 0.500 15.870 0 166 THR   A HA   1 c 
ATOM   2114 H HB   . THR   A 1 126 ? 16.131  3.913  -20.163 1.000 25.424 0 166 THR   A HB   1 c 
ATOM   2115 H HG1  . THR   A 1 126 ? 16.955  5.546  -18.836 0.000 32.899 0 166 THR   A HG1  1 c 
ATOM   2116 H HG21 . THR   A 1 126 ? 16.090  5.194  -22.143 1.000 27.924 0 166 THR   A HG21 1 c 
ATOM   2117 H HG22 . THR   A 1 126 ? 17.341  5.644  -21.229 1.000 27.924 0 166 THR   A HG22 1 c 
ATOM   2118 H HG23 . THR   A 1 126 ? 16.003  6.547  -21.267 1.000 27.924 0 166 THR   A HG23 1 c 
HETATM 2119 C C1   . A1LZB B 2 .   ? -13.351 13.178 -10.014 1.000 9.238  0 201 A1LZB A C1   1 ? 
HETATM 2120 N N1   . A1LZB B 2 .   ? -14.611 13.384 -9.305  1.000 8.869  0 201 A1LZB A N1   1 ? 
HETATM 2121 C C2   . A1LZB B 2 .   ? -15.411 12.320 -8.996  1.000 8.948  0 201 A1LZB A C2   1 ? 
HETATM 2122 C C3   . A1LZB B 2 .   ? -16.572 12.371 -8.289  1.000 9.527  0 201 A1LZB A C3   1 ? 
HETATM 2123 C C4   . A1LZB B 2 .   ? -17.335 11.136 -8.021  1.000 9.870  0 201 A1LZB A C4   1 ? 
HETATM 2124 C C5   . A1LZB B 2 .   ? -16.969 13.680 -7.882  1.000 9.317  0 201 A1LZB A C5   1 ? 
HETATM 2125 C C6   . A1LZB B 2 .   ? -16.166 14.794 -8.214  1.000 9.238  0 201 A1LZB A C6   1 ? 
HETATM 2126 C C7   . A1LZB B 2 .   ? -14.908 14.692 -8.928  1.000 8.869  0 201 A1LZB A C7   1 ? 
HETATM 2127 O O1   . A1LZB B 2 .   ? -14.174 15.652 -9.207  1.000 9.501  0 201 A1LZB A O1   1 ? 
HETATM 2128 C C8   . A1LZB B 2 .   ? -16.837 15.881 -7.718  1.000 10.133 0 201 A1LZB A C8   1 ? 
HETATM 2129 N N2   . A1LZB B 2 .   ? -17.947 15.407 -7.147  1.000 10.291 0 201 A1LZB A N2   1 ? 
HETATM 2130 N N3   . A1LZB B 2 .   ? -18.070 14.062 -7.238  1.000 9.896  0 201 A1LZB A N3   1 ? 
HETATM 2131 C C9   . A1LZB B 2 .   ? -18.958 16.186 -6.425  1.000 11.238 0 201 A1LZB A C9   1 ? 
HETATM 2132 C C10  . A1LZB B 2 .   ? -18.712 16.240 -4.928  1.000 11.317 0 201 A1LZB A C10  1 ? 
HETATM 2133 C C11  . A1LZB B 2 .   ? -19.045 14.913 -4.208  1.000 11.765 0 201 A1LZB A C11  1 ? 
HETATM 2134 C C12  . A1LZB B 2 .   ? -18.796 15.026 -2.722  1.000 11.554 0 201 A1LZB A C12  1 ? 
HETATM 2135 N N4   . A1LZB B 2 .   ? -17.406 15.427 -2.480  1.000 10.449 0 201 A1LZB A N4   1 ? 
HETATM 2136 C C13  . A1LZB B 2 .   ? -17.060 16.744 -3.093  1.000 10.001 0 201 A1LZB A C13  1 ? 
HETATM 2137 C C14  . A1LZB B 2 .   ? -17.293 16.667 -4.596  1.000 10.317 0 201 A1LZB A C14  1 ? 
HETATM 2138 S S1   . A1LZB B 2 .   ? -16.776 15.177 -1.002  1.000 10.370 0 201 A1LZB A S1   1 ? 
HETATM 2139 C C15  . A1LZB B 2 .   ? -17.410 16.409 0.055   1.000 10.633 0 201 A1LZB A C15  1 ? 
HETATM 2140 O O2   . A1LZB B 2 .   ? -17.240 13.913 -0.551  1.000 11.791 0 201 A1LZB A O2   1 ? 
HETATM 2141 O O3   . A1LZB B 2 .   ? -15.366 15.370 -1.122  1.000 10.580 0 201 A1LZB A O3   1 ? 
HETATM 2142 C C16  . A1LZB B 2 .   ? -17.663 10.710 -6.733  1.000 11.159 0 201 A1LZB A C16  1 ? 
HETATM 2143 C C17  . A1LZB B 2 .   ? -18.418 9.532  -6.572  1.000 13.449 0 201 A1LZB A C17  1 ? 
HETATM 2144 C C18  . A1LZB B 2 .   ? -18.796 8.791  -7.650  1.000 12.475 0 201 A1LZB A C18  1 ? 
HETATM 2145 C C19  . A1LZB B 2 .   ? -18.393 9.140  -8.909  1.000 11.212 0 201 A1LZB A C19  1 ? 
HETATM 2146 C C20  . A1LZB B 2 .   ? -17.718 10.330 -9.084  1.000 10.712 0 201 A1LZB A C20  1 ? 
HETATM 2147 O O4   . A1LZB B 2 .   ? -17.174 11.455 -5.710  1.000 11.791 0 201 A1LZB A O4   1 ? 
HETATM 2148 C C21  . A1LZB B 2 .   ? -17.471 10.984 -4.383  1.000 12.844 0 201 A1LZB A C21  1 ? 
HETATM 2149 C C22  . A1LZB B 2 .   ? -16.637 11.740 -3.407  1.000 12.580 0 201 A1LZB A C22  1 ? 
HETATM 2150 C C23  . A1LZB B 2 .   ? -16.414 11.054 -2.076  1.000 12.107 0 201 A1LZB A C23  1 ? 
HETATM 2151 C C24  . A1LZB B 2 .   ? -15.282 11.277 -2.988  1.000 12.159 0 201 A1LZB A C24  1 ? 
HETATM 2152 H H3   . A1LZB B 2 .   ? -12.790 12.570 -9.508  1.000 9.238  0 201 A1LZB A H3   1 c 
HETATM 2153 H H1   . A1LZB B 2 .   ? -12.894 14.029 -10.117 1.000 9.238  0 201 A1LZB A H1   1 c 
HETATM 2154 H H2   . A1LZB B 2 .   ? -13.530 12.800 -10.889 1.000 9.238  0 201 A1LZB A H2   1 c 
HETATM 2155 H H4   . A1LZB B 2 .   ? -15.093 11.490 -9.322  1.000 8.948  0 201 A1LZB A H4   1 c 
HETATM 2156 H H5   . A1LZB B 2 .   ? -16.569 16.776 -7.726  1.000 10.133 0 201 A1LZB A H5   1 c 
HETATM 2157 H H6   . A1LZB B 2 .   ? -19.835 15.775 -6.574  1.000 11.238 0 201 A1LZB A H6   1 c 
HETATM 2158 H H7   . A1LZB B 2 .   ? -18.950 17.104 -6.768  1.000 11.238 0 201 A1LZB A H7   1 c 
HETATM 2159 H H8   . A1LZB B 2 .   ? -19.322 16.938 -4.585  1.000 11.317 0 201 A1LZB A H8   1 c 
HETATM 2160 H H9   . A1LZB B 2 .   ? -19.989 14.698 -4.363  1.000 11.765 0 201 A1LZB A H9   1 c 
HETATM 2161 H H10  . A1LZB B 2 .   ? -18.480 14.203 -4.578  1.000 11.765 0 201 A1LZB A H10  1 c 
HETATM 2162 H H11  . A1LZB B 2 .   ? -18.959 14.169 -2.297  1.000 11.554 0 201 A1LZB A H11  1 c 
HETATM 2163 H H12  . A1LZB B 2 .   ? -19.391 15.691 -2.341  1.000 11.554 0 201 A1LZB A H12  1 c 
HETATM 2164 H H13  . A1LZB B 2 .   ? -16.128 16.955 -2.912  1.000 10.001 0 201 A1LZB A H13  1 c 
HETATM 2165 H H14  . A1LZB B 2 .   ? -17.617 17.442 -2.706  1.000 10.001 0 201 A1LZB A H14  1 c 
HETATM 2166 H H16  . A1LZB B 2 .   ? -16.663 16.018 -4.973  1.000 10.317 0 201 A1LZB A H16  1 c 
HETATM 2167 H H15  . A1LZB B 2 .   ? -17.123 17.552 -4.980  1.000 10.317 0 201 A1LZB A H15  1 c 
HETATM 2168 H H19  . A1LZB B 2 .   ? -18.066 16.938 -0.426  1.000 10.633 0 201 A1LZB A H19  1 c 
HETATM 2169 H H17  . A1LZB B 2 .   ? -16.687 16.979 0.352   1.000 10.633 0 201 A1LZB A H17  1 c 
HETATM 2170 H H18  . A1LZB B 2 .   ? -17.830 15.989 0.822   1.000 10.633 0 201 A1LZB A H18  1 c 
HETATM 2171 H H20  . A1LZB B 2 .   ? -18.698 9.288  -5.707  1.000 13.449 0 201 A1LZB A H20  1 c 
HETATM 2172 H H21  . A1LZB B 2 .   ? -19.259 7.981  -7.512  1.000 12.475 0 201 A1LZB A H21  1 c 
HETATM 2173 H H22  . A1LZB B 2 .   ? -18.635 8.622  -9.659  1.000 11.212 0 201 A1LZB A H22  1 c 
HETATM 2174 H H23  . A1LZB B 2 .   ? -17.487 10.579 -9.966  1.000 10.712 0 201 A1LZB A H23  1 c 
HETATM 2175 H H24  . A1LZB B 2 .   ? -17.274 10.025 -4.313  1.000 12.844 0 201 A1LZB A H24  1 c 
HETATM 2176 H H25  . A1LZB B 2 .   ? -18.422 11.121 -4.181  1.000 12.844 0 201 A1LZB A H25  1 c 
HETATM 2177 H H26  . A1LZB B 2 .   ? -16.978 12.628 -3.134  1.000 12.580 0 201 A1LZB A H26  1 c 
HETATM 2178 H H27  . A1LZB B 2 .   ? -16.370 11.462 -1.186  1.000 12.107 0 201 A1LZB A H27  1 c 
HETATM 2179 H H28  . A1LZB B 2 .   ? -16.627 10.130 -1.830  1.000 12.107 0 201 A1LZB A H28  1 c 
HETATM 2180 H H30  . A1LZB B 2 .   ? -14.830 10.617 -3.554  1.000 12.159 0 201 A1LZB A H30  1 c 
HETATM 2181 H H29  . A1LZB B 2 .   ? -14.574 11.950 -2.910  1.000 12.159 0 201 A1LZB A H29  1 c 
HETATM 2182 O O    . HOH   C 3 .   ? -16.782 9.328  -27.363 1.000 46.979 0 301 HOH   A O    1 ? 
HETATM 2183 O O    . HOH   C 3 .   ? -5.364  16.754 -0.566  1.000 23.108 0 302 HOH   A O    1 ? 
HETATM 2184 O O    . HOH   C 3 .   ? 9.657   3.521  -24.060 1.000 24.187 0 303 HOH   A O    1 ? 
HETATM 2185 O O    . HOH   C 3 .   ? -9.265  -3.879 -27.458 1.000 26.029 0 304 HOH   A O    1 ? 
HETATM 2186 O O    . HOH   C 3 .   ? -12.545 16.283 -11.331 1.000 8.422  0 305 HOH   A O    1 ? 
HETATM 2187 O O    . HOH   C 3 .   ? -1.677  -5.926 -19.366 1.000 34.583 0 306 HOH   A O    1 ? 
HETATM 2188 O O    . HOH   C 3 .   ? 0.452   -5.588 -13.404 1.000 18.923 0 307 HOH   A O    1 ? 
HETATM 2189 O O    . HOH   C 3 .   ? 12.696  7.489  -17.710 1.000 33.794 0 308 HOH   A O    1 ? 
HETATM 2190 O O    . HOH   C 3 .   ? 0.501   -3.108 -22.313 1.000 22.871 0 309 HOH   A O    1 ? 
HETATM 2191 O O    . HOH   C 3 .   ? 8.474   1.228  -10.380 1.000 18.739 0 310 HOH   A O    1 ? 
HETATM 2192 O O    . HOH   C 3 .   ? -15.363 12.248 5.337   1.000 14.423 0 311 HOH   A O    1 ? 
HETATM 2193 O O    . HOH   C 3 .   ? -25.149 22.432 -16.572 1.000 18.792 0 312 HOH   A O    1 ? 
HETATM 2194 O O    . HOH   C 3 .   ? -9.597  20.313 -18.193 1.000 13.423 0 313 HOH   A O    1 ? 
HETATM 2195 O O    . HOH   C 3 .   ? -4.967  15.388 -21.368 1.000 13.870 0 314 HOH   A O    1 ? 
HETATM 2196 O O    . HOH   C 3 .   ? -11.808 12.475 -13.362 1.000 12.712 0 315 HOH   A O    1 ? 
HETATM 2197 O O    . HOH   C 3 .   ? 6.702   -0.394 -9.091  1.000 24.871 0 316 HOH   A O    1 ? 
HETATM 2198 O O    . HOH   C 3 .   ? -12.702 14.970 -15.501 1.000 13.370 0 317 HOH   A O    1 ? 
HETATM 2199 O O    . HOH   C 3 .   ? -6.498  13.224 -24.301 1.000 15.423 0 318 HOH   A O    1 ? 
HETATM 2200 O O    . HOH   C 3 .   ? -15.676 19.994 -4.007  1.000 14.160 0 319 HOH   A O    1 ? 
HETATM 2201 O O    . HOH   C 3 .   ? -15.998 2.614  -10.259 1.000 16.528 0 320 HOH   A O    1 ? 
HETATM 2202 O O    . HOH   C 3 .   ? -16.266 20.550 -20.978 1.000 25.950 0 321 HOH   A O    1 ? 
HETATM 2203 O O    . HOH   C 3 .   ? -19.386 7.860  -16.134 1.000 15.476 0 322 HOH   A O    1 ? 
HETATM 2204 O O    . HOH   C 3 .   ? -18.060 20.406 -0.736  1.000 22.950 0 323 HOH   A O    1 ? 
HETATM 2205 O O    . HOH   C 3 .   ? -19.402 19.796 -6.611  1.000 18.028 0 324 HOH   A O    1 ? 
HETATM 2206 O O    . HOH   C 3 .   ? -4.575  7.707  -31.288 1.000 12.607 0 325 HOH   A O    1 ? 
HETATM 2207 O O    . HOH   C 3 .   ? -15.585 13.931 -22.658 1.000 18.371 0 326 HOH   A O    1 ? 
HETATM 2208 O O    . HOH   C 3 .   ? -11.573 12.035 -27.268 1.000 26.266 0 327 HOH   A O    1 ? 
HETATM 2209 O O    . HOH   C 3 .   ? -22.979 7.114  -13.807 1.000 31.793 0 328 HOH   A O    1 ? 
HETATM 2210 O O    . HOH   C 3 .   ? 1.602   3.173  -30.023 1.000 13.423 0 329 HOH   A O    1 ? 
HETATM 2211 O O    . HOH   C 3 .   ? -8.812  22.158 -4.725  1.000 15.107 0 330 HOH   A O    1 ? 
HETATM 2212 O O    . HOH   C 3 .   ? -22.592 14.897 -6.266  1.000 21.476 0 331 HOH   A O    1 ? 
HETATM 2213 O O    . HOH   C 3 .   ? 0.803   -0.413 -23.051 1.000 10.528 0 332 HOH   A O    1 ? 
HETATM 2214 O O    . HOH   C 3 .   ? -5.038  19.411 -19.740 1.000 21.160 0 333 HOH   A O    1 ? 
HETATM 2215 O O    . HOH   C 3 .   ? -0.384  7.819  -1.713  1.000 11.817 0 334 HOH   A O    1 ? 
HETATM 2216 O O    . HOH   C 3 .   ? -13.166 5.438  -29.275 1.000 22.371 0 335 HOH   A O    1 ? 
HETATM 2217 O O    . HOH   C 3 .   ? -13.439 21.387 2.370   1.000 26.161 0 336 HOH   A O    1 ? 
HETATM 2218 O O    . HOH   C 3 .   ? -3.223  12.782 -24.195 1.000 21.108 0 337 HOH   A O    1 ? 
HETATM 2219 O O    . HOH   C 3 .   ? -11.117 14.742 -23.160 1.000 18.292 0 338 HOH   A O    1 ? 
HETATM 2220 O O    . HOH   C 3 .   ? 4.488   9.731  -30.882 1.000 30.898 0 339 HOH   A O    1 ? 
HETATM 2221 O O    . HOH   C 3 .   ? 6.437   5.715  -25.413 1.000 19.502 0 340 HOH   A O    1 ? 
HETATM 2222 O O    . HOH   C 3 .   ? 5.275   11.215 -5.132  1.000 11.291 0 341 HOH   A O    1 ? 
HETATM 2223 O O    . HOH   C 3 .   ? -12.988 22.537 -24.019 1.000 23.950 0 342 HOH   A O    1 ? 
HETATM 2224 O O    . HOH   C 3 .   ? -16.762 9.414  -11.982 1.000 16.370 0 343 HOH   A O    1 ? 
HETATM 2225 O O    . HOH   C 3 .   ? -14.123 5.974  -20.820 1.000 21.950 0 344 HOH   A O    1 ? 
HETATM 2226 O O    . HOH   C 3 .   ? -22.371 20.716 -18.522 1.000 13.844 0 345 HOH   A O    1 ? 
HETATM 2227 O O    . HOH   C 3 .   ? -0.840  0.681  -24.979 1.000 9.475  0 346 HOH   A O    1 ? 
HETATM 2228 O O    . HOH   C 3 .   ? -0.787  15.559 -11.914 1.000 12.975 0 347 HOH   A O    1 ? 
HETATM 2229 O O    . HOH   C 3 .   ? 2.109   17.575 -9.552  1.000 25.187 0 348 HOH   A O    1 ? 
HETATM 2230 O O    . HOH   C 3 .   ? -5.254  -3.261 -11.000 1.000 18.502 0 349 HOH   A O    1 ? 
HETATM 2231 O O    . HOH   C 3 .   ? -13.708 11.910 -18.660 1.000 10.370 0 350 HOH   A O    1 ? 
HETATM 2232 O O    . HOH   C 3 .   ? -14.722 5.925  -25.620 1.000 25.924 0 351 HOH   A O    1 ? 
HETATM 2233 O O    . HOH   C 3 .   ? -2.801  19.372 -16.384 1.000 16.686 0 352 HOH   A O    1 ? 
HETATM 2234 O O    . HOH   C 3 .   ? 10.327  10.527 -14.862 1.000 20.871 0 353 HOH   A O    1 ? 
HETATM 2235 O O    . HOH   C 3 .   ? -10.649 14.324 -11.747 1.000 9.106  0 354 HOH   A O    1 ? 
HETATM 2236 O O    . HOH   C 3 .   ? 3.416   14.346 -20.792 1.000 22.845 0 355 HOH   A O    1 ? 
HETATM 2237 O O    . HOH   C 3 .   ? 10.469  0.952  -25.985 1.000 18.950 0 356 HOH   A O    1 ? 
HETATM 2238 O O    . HOH   C 3 .   ? 0.315   15.346 -4.962  1.000 26.556 0 357 HOH   A O    1 ? 
HETATM 2239 O O    . HOH   C 3 .   ? -13.722 10.720 -12.630 1.000 9.817  0 358 HOH   A O    1 ? 
HETATM 2240 O O    . HOH   C 3 .   ? -2.488  0.570  -4.971  1.000 21.792 0 359 HOH   A O    1 ? 
HETATM 2241 O O    . HOH   C 3 .   ? -3.324  10.236 -30.394 1.000 21.924 0 360 HOH   A O    1 ? 
HETATM 2242 O O    . HOH   C 3 .   ? -21.519 21.863 -10.421 1.000 18.160 0 361 HOH   A O    1 ? 
HETATM 2243 O O    . HOH   C 3 .   ? -23.471 28.582 -13.118 1.000 26.582 0 362 HOH   A O    1 ? 
HETATM 2244 O O    . HOH   C 3 .   ? -16.062 24.780 -8.662  1.000 22.713 0 363 HOH   A O    1 ? 
HETATM 2245 O O    . HOH   C 3 .   ? -1.822  18.097 -12.323 1.000 15.528 0 364 HOH   A O    1 ? 
HETATM 2246 O O    . HOH   C 3 .   ? 5.024   -3.483 -30.179 1.000 17.897 0 365 HOH   A O    1 ? 
HETATM 2247 O O    . HOH   C 3 .   ? -18.559 11.789 -20.564 1.000 14.975 0 366 HOH   A O    1 ? 
HETATM 2248 O O    . HOH   C 3 .   ? -7.733  -1.284 2.304   1.000 37.294 0 367 HOH   A O    1 ? 
HETATM 2249 O O    . HOH   C 3 .   ? 3.042   15.797 -5.077  1.000 19.634 0 368 HOH   A O    1 ? 
HETATM 2250 O O    . HOH   C 3 .   ? 13.392  5.411  -7.168  1.000 30.925 0 369 HOH   A O    1 ? 
HETATM 2251 O O    . HOH   C 3 .   ? 7.342   12.203 -11.099 1.000 16.502 0 370 HOH   A O    1 ? 
HETATM 2252 O O    . HOH   C 3 .   ? -6.046  2.424  -30.892 1.000 21.713 0 371 HOH   A O    1 ? 
HETATM 2253 O O    . HOH   C 3 .   ? -19.326 9.762  -12.224 1.000 17.634 0 372 HOH   A O    1 ? 
HETATM 2254 O O    . HOH   C 3 .   ? 3.490   4.585  -31.673 1.000 21.634 0 373 HOH   A O    1 ? 
HETATM 2255 O O    . HOH   C 3 .   ? 6.445   -4.444 -25.508 1.000 12.554 0 374 HOH   A O    1 ? 
HETATM 2256 O O    . HOH   C 3 .   ? -13.238 5.189  -0.206  1.000 27.293 0 375 HOH   A O    1 ? 
HETATM 2257 O O    . HOH   C 3 .   ? -20.078 11.933 -18.260 1.000 14.186 0 376 HOH   A O    1 ? 
HETATM 2258 O O    . HOH   C 3 .   ? -14.823 13.260 -16.507 1.000 10.843 0 377 HOH   A O    1 ? 
HETATM 2259 O O    . HOH   C 3 .   ? -0.628  -2.899 -36.283 1.000 20.660 0 378 HOH   A O    1 ? 
HETATM 2260 O O    . HOH   C 3 .   ? -24.790 25.987 -10.310 1.000 30.056 0 379 HOH   A O    1 ? 
HETATM 2261 O O    . HOH   C 3 .   ? -21.461 19.863 -16.035 1.000 12.896 0 380 HOH   A O    1 ? 
HETATM 2262 O O    . HOH   C 3 .   ? -23.298 28.957 -15.846 1.000 22.424 0 381 HOH   A O    1 ? 
HETATM 2263 O O    . HOH   C 3 .   ? 3.109   17.418 -0.365  1.000 22.897 0 382 HOH   A O    1 ? 
HETATM 2264 O O    . HOH   C 3 .   ? -7.982  -1.774 -30.393 1.000 22.371 0 383 HOH   A O    1 ? 
HETATM 2265 O O    . HOH   C 3 .   ? -5.438  1.002  -1.303  1.000 20.424 0 384 HOH   A O    1 ? 
HETATM 2266 O O    . HOH   C 3 .   ? 15.110  1.959  -17.658 1.000 29.161 0 385 HOH   A O    1 ? 
HETATM 2267 O O    . HOH   C 3 .   ? -1.161  3.214  -26.075 1.000 9.527  0 386 HOH   A O    1 ? 
HETATM 2268 O O    . HOH   C 3 .   ? -26.774 4.790  -11.844 1.000 24.845 0 387 HOH   A O    1 ? 
HETATM 2269 O O    . HOH   C 3 .   ? 2.669   16.508 -12.861 1.000 29.161 0 388 HOH   A O    1 ? 
HETATM 2270 O O    . HOH   C 3 .   ? -2.067  -2.624 -25.169 1.000 23.213 0 389 HOH   A O    1 ? 
HETATM 2271 O O    . HOH   C 3 .   ? -6.340  12.024 -27.479 1.000 35.820 0 390 HOH   A O    1 ? 
HETATM 2272 O O    . HOH   C 3 .   ? 4.337   14.925 -15.630 1.000 22.897 0 391 HOH   A O    1 ? 
HETATM 2273 O O    . HOH   C 3 .   ? -9.416  13.256 -24.770 1.000 21.687 0 392 HOH   A O    1 ? 
HETATM 2274 O O    . HOH   C 3 .   ? -20.497 12.724 -6.182  1.000 20.213 0 393 HOH   A O    1 ? 
HETATM 2275 O O    . HOH   C 3 .   ? -24.478 16.255 -24.258 1.000 21.055 0 394 HOH   A O    1 ? 
HETATM 2276 O O    . HOH   C 3 .   ? -9.990  22.886 -17.512 1.000 22.055 0 395 HOH   A O    1 ? 
HETATM 2277 O O    . HOH   C 3 .   ? -1.998  17.749 -18.589 1.000 17.713 0 396 HOH   A O    1 ? 
HETATM 2278 O O    . HOH   C 3 .   ? -11.507 2.071  -5.378  1.000 15.002 0 397 HOH   A O    1 ? 
HETATM 2279 O O    . HOH   C 3 .   ? 13.634  7.003  -14.292 1.000 42.084 0 398 HOH   A O    1 ? 
HETATM 2280 O O    . HOH   C 3 .   ? -4.579  1.229  -32.524 1.000 32.688 0 399 HOH   A O    1 ? 
HETATM 2281 O O    . HOH   C 3 .   ? 2.756   13.581 -28.243 1.000 25.214 0 400 HOH   A O    1 ? 
HETATM 2282 O O    . HOH   C 3 .   ? -11.966 1.177  -18.181 1.000 26.056 0 401 HOH   A O    1 ? 
HETATM 2283 O O    . HOH   C 3 .   ? 6.809   9.646  -24.730 1.000 20.792 0 402 HOH   A O    1 ? 
HETATM 2284 O O    . HOH   C 3 .   ? -4.798  -2.939 -28.674 1.000 24.713 0 403 HOH   A O    1 ? 
HETATM 2285 O O    . HOH   C 3 .   ? -24.536 18.078 -6.084  1.000 30.530 0 404 HOH   A O    1 ? 
HETATM 2286 O O    . HOH   C 3 .   ? 12.636  10.074 -13.779 1.000 24.898 0 405 HOH   A O    1 ? 
HETATM 2287 O O    . HOH   C 3 .   ? -4.042  11.543 -26.599 1.000 24.240 0 406 HOH   A O    1 ? 
HETATM 2288 O O    . HOH   C 3 .   ? -13.058 1.025  -6.963  1.000 25.214 0 407 HOH   A O    1 ? 
HETATM 2289 O O    . HOH   C 3 .   ? -26.249 10.071 -17.028 1.000 31.767 0 408 HOH   A O    1 ? 
HETATM 2290 O O    . HOH   C 3 .   ? -5.009  17.184 -23.585 1.000 29.740 0 409 HOH   A O    1 ? 
HETATM 2291 O O    . HOH   C 3 .   ? 13.981  -0.337 -19.250 1.000 28.846 0 410 HOH   A O    1 ? 
HETATM 2292 O O    . HOH   C 3 .   ? 0.662   17.445 -18.564 1.000 20.055 0 411 HOH   A O    1 ? 
HETATM 2293 O O    . HOH   C 3 .   ? -17.834 21.273 -4.827  1.000 19.081 0 412 HOH   A O    1 ? 
HETATM 2294 O O    . HOH   C 3 .   ? -8.422  0.065  -32.701 1.000 29.161 0 413 HOH   A O    1 ? 
HETATM 2295 O O    . HOH   C 3 .   ? 3.701   -6.247 -26.949 1.000 20.318 0 414 HOH   A O    1 ? 
HETATM 2296 O O    . HOH   C 3 .   ? -20.202 12.122 -0.900  1.000 27.003 0 415 HOH   A O    1 ? 
HETATM 2297 O O    . HOH   C 3 .   ? -9.679  25.427 -16.972 1.000 24.056 0 416 HOH   A O    1 ? 
HETATM 2298 O O    . HOH   C 3 .   ? -1.399  12.057 0.067   1.000 16.476 0 417 HOH   A O    1 ? 
HETATM 2299 O O    . HOH   C 3 .   ? 14.943  3.708  -24.752 1.000 33.846 0 418 HOH   A O    1 ? 
HETATM 2300 O O    . HOH   C 3 .   ? 4.501   7.569  -2.916  1.000 17.002 0 419 HOH   A O    1 ? 
HETATM 2301 O O    . HOH   C 3 .   ? -1.810  5.681  -0.773  1.000 18.581 0 420 HOH   A O    1 ? 
HETATM 2302 O O    . HOH   C 3 .   ? -13.541 -2.464 -13.048 1.000 24.924 0 421 HOH   A O    1 ? 
HETATM 2303 O O    . HOH   C 3 .   ? -19.339 27.895 -14.228 1.000 26.056 0 422 HOH   A O    1 ? 
HETATM 2304 O O    . HOH   C 3 .   ? -24.829 13.392 -5.253  1.000 29.293 0 423 HOH   A O    1 ? 
HETATM 2305 O O    . HOH   C 3 .   ? -10.602 -0.316 -35.462 1.000 19.239 0 424 HOH   A O    1 ? 
HETATM 2306 O O    . HOH   C 3 .   ? -3.745  -0.677 -3.027  1.000 31.109 0 425 HOH   A O    1 ? 
HETATM 2307 O O    . HOH   C 3 .   ? 9.530   12.237 -12.902 1.000 26.977 0 426 HOH   A O    1 ? 
HETATM 2308 O O    . HOH   C 3 .   ? -15.924 12.574 -20.345 1.000 17.371 0 427 HOH   A O    1 ? 
HETATM 2309 O O    . HOH   C 3 .   ? -1.457  -4.513 -23.736 1.000 26.056 0 428 HOH   A O    1 ? 
HETATM 2310 O O    . HOH   C 3 .   ? -25.776 16.157 -4.629  1.000 33.794 0 429 HOH   A O    1 ? 
HETATM 2311 O O    . HOH   C 3 .   ? -19.343 9.031  -20.634 1.000 23.240 0 430 HOH   A O    1 ? 
HETATM 2312 O O    . HOH   C 3 .   ? 5.344   10.215 -2.500  1.000 12.317 0 431 HOH   A O    1 ? 
HETATM 2313 O O    . HOH   C 3 .   ? 2.032   6.693  -2.097  1.000 22.924 0 432 HOH   A O    1 ? 
HETATM 2314 O O    . HOH   C 3 .   ? -20.869 9.431  -17.817 1.000 23.555 0 433 HOH   A O    1 ? 
HETATM 2315 O O    . HOH   C 3 .   ? -19.890 18.982 -2.267  1.000 32.793 0 434 HOH   A O    1 ? 
HETATM 2316 O O    . HOH   C 3 .   ? -7.126  17.554 -25.352 1.000 39.873 0 435 HOH   A O    1 ? 
HETATM 2317 O O    . HOH   C 3 .   ? -22.129 17.213 -4.893  1.000 29.714 0 436 HOH   A O    1 ? 
HETATM 2318 O O    . HOH   C 3 .   ? -7.665  -4.116 -9.894  1.000 21.371 0 437 HOH   A O    1 ? 
HETATM 2319 O O    . HOH   C 3 .   ? -4.494  21.211 -17.712 1.000 23.319 0 438 HOH   A O    1 ? 
HETATM 2320 O O    . HOH   C 3 .   ? -3.337  7.048  1.363   1.000 34.846 0 439 HOH   A O    1 ? 
HETATM 2321 O O    . HOH   C 3 .   ? -0.431  9.558  0.344   1.000 14.054 0 440 HOH   A O    1 ? 
HETATM 2322 O O    . HOH   C 3 .   ? -0.199  1.043  -3.620  1.000 39.926 0 441 HOH   A O    1 ? 
HETATM 2323 O O    . HOH   C 3 .   ? 7.408   14.469 -9.627  1.000 25.187 0 442 HOH   A O    1 ? 
HETATM 2324 O O    . HOH   C 3 .   ? 5.975   -5.253 -28.141 1.000 15.160 0 443 HOH   A O    1 ? 
HETATM 2325 O O    . HOH   C 3 .   ? -20.406 8.759  -3.547  1.000 28.503 0 444 HOH   A O    1 ? 
HETATM 2326 O O    . HOH   C 3 .   ? -26.969 26.243 -12.160 1.000 33.162 0 445 HOH   A O    1 ? 
HETATM 2327 O O    . HOH   C 3 .   ? -21.094 7.929  -11.508 1.000 34.794 0 446 HOH   A O    1 ? 
HETATM 2328 O O    . HOH   C 3 .   ? -19.778 9.582  -1.143  1.000 28.503 0 447 HOH   A O    1 ? 
HETATM 2329 O O    . HOH   C 3 .   ? -8.000  27.019 1.266   1.000 27.266 0 448 HOH   A O    1 ? 
HETATM 2330 O O    . HOH   C 3 .   ? -2.248  8.823  2.516   1.000 33.583 0 449 HOH   A O    1 ? 
HETATM 2331 O O    . HOH   C 3 .   ? -24.069 10.928 -4.221  1.000 34.846 0 450 HOH   A O    1 ? 
HETATM 2332 O O    . HOH   C 3 .   ? 6.846   -7.302 -29.532 1.000 22.266 0 451 HOH   A O    1 ? 
HETATM 2333 O O    . HOH   C 3 .   ? -24.618 13.675 -0.698  1.000 16.449 0 452 HOH   A O    1 ? 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N    . SER   A 2   ? 0.259 0.287 0.345 -0.084 0.003  -0.016 42  SER   A N    
2    C CA   . SER   A 2   ? 0.136 0.237 0.248 -0.006 -0.012 0.038  42  SER   A CA   
3    C C    . SER   A 2   ? 0.123 0.249 0.256 0.045  -0.026 0.000  42  SER   A C    
4    O O    . SER   A 2   ? 0.246 0.285 0.218 -0.030 -0.017 0.026  42  SER   A O    
5    C CB   . SER   A 2   ? 0.177 0.245 0.317 -0.008 0.035  0.032  42  SER   A CB   
6    O OG   . SER   A 2   ? 0.156 0.319 0.303 -0.012 -0.015 0.015  42  SER   A OG   
7    H H    . SER   A 2   ? 0.297 0.297 0.297 0.000  0.000  0.000  42  SER   A H    
8    H HA   . SER   A 2   ? 0.207 0.207 0.207 0.000  0.000  0.000  42  SER   A HA   
9    H HB2  . SER   A 2   ? 0.246 0.246 0.246 0.000  0.000  0.000  42  SER   A HB2  
10   H HB3  . SER   A 2   ? 0.246 0.246 0.246 0.000  0.000  0.000  42  SER   A HB3  
11   H HG   . SER   A 2   ? 0.259 0.259 0.259 0.000  0.000  0.000  42  SER   A HG   
12   N N    . MET   A 3   ? 0.205 0.308 0.217 0.038  0.018  0.002  43  MET   A N    
13   C CA   . MET   A 3   ? 0.189 0.256 0.207 0.046  0.029  0.027  43  MET   A CA   
14   C C    . MET   A 3   ? 0.182 0.187 0.154 0.030  0.005  0.019  43  MET   A C    
15   O O    . MET   A 3   ? 0.179 0.199 0.212 0.021  -0.014 0.007  43  MET   A O    
16   C CB   . MET   A 3   ? 0.226 0.309 0.203 0.045  0.041  0.057  43  MET   A CB   
17   C CG   . MET   A 3   ? 0.243 0.301 0.218 0.009  0.028  -0.025 43  MET   A CG   
18   S SD   . MET   A 3   ? 0.315 0.259 0.217 0.028  -0.002 0.007  43  MET   A SD   
19   C CE   . MET   A 3   ? 0.376 0.373 0.411 0.076  -0.010 -0.043 43  MET   A CE   
20   H H    . MET   A 3   ? 0.243 0.243 0.243 0.000  0.000  0.000  43  MET   A H    
21   H HA   . MET   A 3   ? 0.217 0.217 0.217 0.000  0.000  0.000  43  MET   A HA   
22   H HB2  . MET   A 3   ? 0.246 0.246 0.246 0.000  0.000  0.000  43  MET   A HB2  
23   H HB3  . MET   A 3   ? 0.246 0.246 0.246 0.000  0.000  0.000  43  MET   A HB3  
24   H HG2  . MET   A 3   ? 0.254 0.254 0.254 0.000  0.000  0.000  43  MET   A HG2  
25   H HG3  . MET   A 3   ? 0.254 0.254 0.254 0.000  0.000  0.000  43  MET   A HG3  
26   H HE1  . MET   A 3   ? 0.387 0.387 0.387 0.000  0.000  0.000  43  MET   A HE1  
27   H HE2  . MET   A 3   ? 0.387 0.387 0.387 0.000  0.000  0.000  43  MET   A HE2  
28   H HE3  . MET   A 3   ? 0.387 0.387 0.387 0.000  0.000  0.000  43  MET   A HE3  
29   N N    . ASN   A 4   ? 0.167 0.202 0.188 0.024  -0.011 -0.002 44  ASN   A N    
30   C CA   . ASN   A 4   ? 0.170 0.184 0.196 0.019  -0.014 -0.010 44  ASN   A CA   
31   C C    . ASN   A 4   ? 0.155 0.183 0.206 0.014  -0.042 -0.002 44  ASN   A C    
32   O O    . ASN   A 4   ? 0.184 0.191 0.172 0.002  -0.013 -0.008 44  ASN   A O    
33   C CB   . ASN   A 4   ? 0.187 0.155 0.210 0.057  -0.005 0.040  44  ASN   A CB   
34   C CG   . ASN   A 4   ? 0.154 0.201 0.209 0.005  -0.004 0.035  44  ASN   A CG   
35   O OD1  . ASN   A 4   ? 0.352 0.169 0.254 -0.014 0.051  -0.009 44  ASN   A OD1  
36   N ND2  . ASN   A 4   ? 0.160 0.207 0.219 0.019  0.016  0.021  44  ASN   A ND2  
37   H H    . ASN   A 4   ? 0.186 0.186 0.186 0.000  0.000  0.000  44  ASN   A H    
38   H HA   . ASN   A 4   ? 0.183 0.183 0.183 0.000  0.000  0.000  44  ASN   A HA   
39   H HB2  . ASN   A 4   ? 0.184 0.184 0.184 0.000  0.000  0.000  44  ASN   A HB2  
40   H HB3  . ASN   A 4   ? 0.184 0.184 0.184 0.000  0.000  0.000  44  ASN   A HB3  
41   H HD21 . ASN   A 4   ? 0.195 0.195 0.195 0.000  0.000  0.000  44  ASN   A HD21 
42   H HD22 . ASN   A 4   ? 0.195 0.195 0.195 0.000  0.000  0.000  44  ASN   A HD22 
43   N N    . PRO   A 5   ? 0.184 0.149 0.217 0.049  0.035  0.036  45  PRO   A N    
44   C CA   . PRO   A 5   ? 0.163 0.137 0.172 0.025  -0.006 0.034  45  PRO   A CA   
45   C C    . PRO   A 5   ? 0.147 0.162 0.159 0.028  -0.016 0.006  45  PRO   A C    
46   O O    . PRO   A 5   ? 0.169 0.139 0.173 0.018  0.001  0.016  45  PRO   A O    
47   C CB   . PRO   A 5   ? 0.191 0.161 0.176 0.007  -0.001 -0.008 45  PRO   A CB   
48   C CG   . PRO   A 5   ? 0.203 0.266 0.166 -0.012 -0.027 -0.049 45  PRO   A CG   
49   C CD   . PRO   A 5   ? 0.240 0.207 0.184 -0.006 0.005  -0.026 45  PRO   A CD   
50   H HA   . PRO   A 5   ? 0.157 0.157 0.157 0.000  0.000  0.000  45  PRO   A HA   
51   H HB2  . PRO   A 5   ? 0.176 0.176 0.176 0.000  0.000  0.000  45  PRO   A HB2  
52   H HB3  . PRO   A 5   ? 0.176 0.176 0.176 0.000  0.000  0.000  45  PRO   A HB3  
53   H HG2  . PRO   A 5   ? 0.212 0.212 0.212 0.000  0.000  0.000  45  PRO   A HG2  
54   H HG3  . PRO   A 5   ? 0.212 0.212 0.212 0.000  0.000  0.000  45  PRO   A HG3  
55   H HD2  . PRO   A 5   ? 0.210 0.210 0.210 0.000  0.000  0.000  45  PRO   A HD2  
56   H HD3  . PRO   A 5   ? 0.210 0.210 0.210 0.000  0.000  0.000  45  PRO   A HD3  
57   N N    . PRO   A 6   ? 0.170 0.174 0.165 0.018  -0.027 0.007  46  PRO   A N    
58   C CA   . PRO   A 6   ? 0.225 0.177 0.174 -0.033 -0.011 -0.025 46  PRO   A CA   
59   C C    . PRO   A 6   ? 0.205 0.139 0.148 0.030  -0.011 0.010  46  PRO   A C    
60   O O    . PRO   A 6   ? 0.195 0.232 0.192 0.041  -0.022 -0.004 46  PRO   A O    
61   C CB   . PRO   A 6   ? 0.307 0.203 0.189 -0.001 -0.013 -0.050 46  PRO   A CB   
62   C CG   . PRO   A 6   ? 0.368 0.248 0.177 -0.047 -0.025 -0.019 46  PRO   A CG   
63   C CD   . PRO   A 6   ? 0.282 0.209 0.151 0.024  -0.068 0.009  46  PRO   A CD   
64   H HA   . PRO   A 6   ? 0.192 0.192 0.192 0.000  0.000  0.000  46  PRO   A HA   
65   H HB2  . PRO   A 6   ? 0.233 0.233 0.233 0.000  0.000  0.000  46  PRO   A HB2  
66   H HB3  . PRO   A 6   ? 0.233 0.233 0.233 0.000  0.000  0.000  46  PRO   A HB3  
67   H HG2  . PRO   A 6   ? 0.264 0.264 0.264 0.000  0.000  0.000  46  PRO   A HG2  
68   H HG3  . PRO   A 6   ? 0.264 0.264 0.264 0.000  0.000  0.000  46  PRO   A HG3  
69   H HD2  . PRO   A 6   ? 0.214 0.214 0.214 0.000  0.000  0.000  46  PRO   A HD2  
70   H HD3  . PRO   A 6   ? 0.214 0.214 0.214 0.000  0.000  0.000  46  PRO   A HD3  
71   N N    . PRO   A 7   ? 0.231 0.212 0.184 0.041  -0.033 0.004  47  PRO   A N    
72   C CA   . PRO   A 7   ? 0.231 0.222 0.166 0.058  -0.024 -0.003 47  PRO   A CA   
73   C C    . PRO   A 7   ? 0.232 0.318 0.155 0.058  -0.038 0.019  47  PRO   A C    
74   O O    . PRO   A 7   ? 0.254 0.311 0.191 0.135  -0.028 -0.013 47  PRO   A O    
75   C CB   . PRO   A 7   ? 0.342 0.241 0.253 0.065  -0.010 0.057  47  PRO   A CB   
76   C CG   . PRO   A 7   ? 0.308 0.333 0.310 0.044  0.034  0.032  47  PRO   A CG   
77   C CD   . PRO   A 7   ? 0.347 0.193 0.296 -0.012 0.007  -0.058 47  PRO   A CD   
78   H HA   . PRO   A 7   ? 0.206 0.206 0.206 0.000  0.000  0.000  47  PRO   A HA   
79   H HB2  . PRO   A 7   ? 0.279 0.279 0.279 0.000  0.000  0.000  47  PRO   A HB2  
80   H HB3  . PRO   A 7   ? 0.279 0.279 0.279 0.000  0.000  0.000  47  PRO   A HB3  
81   H HG2  . PRO   A 7   ? 0.317 0.317 0.317 0.000  0.000  0.000  47  PRO   A HG2  
82   H HG3  . PRO   A 7   ? 0.317 0.317 0.317 0.000  0.000  0.000  47  PRO   A HG3  
83   H HD2  . PRO   A 7   ? 0.279 0.279 0.279 0.000  0.000  0.000  47  PRO   A HD2  
84   H HD3  . PRO   A 7   ? 0.279 0.279 0.279 0.000  0.000  0.000  47  PRO   A HD3  
85   N N    . PRO   A 8   ? 0.253 0.228 0.198 0.077  -0.053 -0.002 48  PRO   A N    
86   C CA   . PRO   A 8   ? 0.237 0.232 0.216 0.078  -0.051 -0.004 48  PRO   A CA   
87   C C    . PRO   A 8   ? 0.212 0.239 0.194 0.087  0.009  0.003  48  PRO   A C    
88   O O    . PRO   A 8   ? 0.257 0.209 0.240 0.054  0.021  -0.029 48  PRO   A O    
89   C CB   . PRO   A 8   ? 0.255 0.241 0.236 0.108  -0.042 -0.048 48  PRO   A CB   
90   C CG   . PRO   A 8   ? 0.257 0.225 0.239 0.096  -0.040 -0.008 48  PRO   A CG   
91   C CD   . PRO   A 8   ? 0.225 0.261 0.172 0.053  -0.047 -0.008 48  PRO   A CD   
92   H HA   . PRO   A 8   ? 0.228 0.228 0.228 0.000  0.000  0.000  48  PRO   A HA   
93   H HB2  . PRO   A 8   ? 0.244 0.244 0.244 0.000  0.000  0.000  48  PRO   A HB2  
94   H HB3  . PRO   A 8   ? 0.244 0.244 0.244 0.000  0.000  0.000  48  PRO   A HB3  
95   H HG2  . PRO   A 8   ? 0.240 0.240 0.240 0.000  0.000  0.000  48  PRO   A HG2  
96   H HG3  . PRO   A 8   ? 0.240 0.240 0.240 0.000  0.000  0.000  48  PRO   A HG3  
97   H HD2  . PRO   A 8   ? 0.219 0.219 0.219 0.000  0.000  0.000  48  PRO   A HD2  
98   H HD3  . PRO   A 8   ? 0.219 0.219 0.219 0.000  0.000  0.000  48  PRO   A HD3  
99   N N    . GLU   A 9   ? 0.232 0.236 0.182 0.129  -0.011 0.010  49  GLU   A N    
100  C CA   . GLU   A 9   ? 0.169 0.241 0.188 0.079  -0.038 -0.008 49  GLU   A CA   
101  C C    . GLU   A 9   ? 0.160 0.198 0.172 0.050  -0.059 -0.019 49  GLU   A C    
102  O O    . GLU   A 9   ? 0.183 0.168 0.213 0.056  -0.059 -0.022 49  GLU   A O    
103  C CB   . GLU   A 9   ? 0.279 0.314 0.155 0.106  -0.023 -0.007 49  GLU   A CB   
104  C CG   . GLU   A 9   ? 0.337 0.296 0.220 0.109  -0.016 0.029  49  GLU   A CG   
105  C CD   . GLU   A 9   ? 0.391 0.349 0.524 0.087  -0.110 0.014  49  GLU   A CD   
106  O OE1  . GLU   A 9   ? 0.468 0.528 0.313 0.201  -0.201 -0.053 49  GLU   A OE1  
107  O OE2  . GLU   A 9   ? 0.389 0.624 0.783 0.165  -0.190 0.096  49  GLU   A OE2  
108  H H    . GLU   A 9   ? 0.217 0.217 0.217 0.000  0.000  0.000  49  GLU   A H    
109  H HA   . GLU   A 9   ? 0.199 0.199 0.199 0.000  0.000  0.000  49  GLU   A HA   
110  H HB2  . GLU   A 9   ? 0.249 0.249 0.249 0.000  0.000  0.000  49  GLU   A HB2  
111  H HB3  . GLU   A 9   ? 0.249 0.249 0.249 0.000  0.000  0.000  49  GLU   A HB3  
112  H HG2  . GLU   A 9   ? 0.284 0.284 0.284 0.000  0.000  0.000  49  GLU   A HG2  
113  H HG3  . GLU   A 9   ? 0.284 0.284 0.284 0.000  0.000  0.000  49  GLU   A HG3  
114  N N    . THR   A 10  ? 0.141 0.199 0.193 0.035  -0.054 -0.042 50  THR   A N    
115  C CA   . THR   A 10  ? 0.149 0.179 0.174 0.030  -0.060 -0.061 50  THR   A CA   
116  C C    . THR   A 10  ? 0.153 0.185 0.173 0.007  -0.059 -0.038 50  THR   A C    
117  O O    . THR   A 10  ? 0.164 0.188 0.239 0.028  -0.064 -0.057 50  THR   A O    
118  C CB   . THR   A 10  ? 0.179 0.194 0.213 0.006  -0.049 -0.023 50  THR   A CB   
119  O OG1  . THR   A 10  ? 0.225 0.298 0.227 -0.056 -0.050 -0.056 50  THR   A OG1  
120  C CG2  . THR   A 10  ? 0.196 0.202 0.188 0.039  -0.057 -0.030 50  THR   A CG2  
121  H H    . THR   A 10  ? 0.178 0.178 0.178 0.000  0.000  0.000  50  THR   A H    
122  H HA   . THR   A 10  ? 0.167 0.167 0.167 0.000  0.000  0.000  50  THR   A HA   
123  H HB   . THR   A 10  ? 0.195 0.195 0.195 0.000  0.000  0.000  50  THR   A HB   
124  H HG1  . THR   A 10  ? 0.250 0.250 0.250 0.000  0.000  0.000  50  THR   A HG1  
125  H HG21 . THR   A 10  ? 0.195 0.195 0.195 0.000  0.000  0.000  50  THR   A HG21 
126  H HG22 . THR   A 10  ? 0.195 0.195 0.195 0.000  0.000  0.000  50  THR   A HG22 
127  H HG23 . THR   A 10  ? 0.195 0.195 0.195 0.000  0.000  0.000  50  THR   A HG23 
128  N N    . SER   A 11  ? 0.206 0.192 0.162 0.043  -0.028 -0.047 51  SER   A N    
129  C CA   . SER   A 11  ? 0.223 0.193 0.171 0.004  -0.006 -0.030 51  SER   A CA   
130  C C    . SER   A 11  ? 0.163 0.174 0.152 0.009  -0.004 -0.046 51  SER   A C    
131  O O    . SER   A 11  ? 0.197 0.257 0.207 0.068  -0.008 -0.034 51  SER   A O    
132  C CB   . SER   A 11  ? 0.301 0.213 0.176 -0.030 -0.023 -0.030 51  SER   A CB   
133  O OG   . SER   A 11  ? 0.325 0.344 0.257 -0.058 -0.041 -0.063 51  SER   A OG   
134  H H    . SER   A 11  ? 0.187 0.187 0.187 0.000  0.000  0.000  51  SER   A H    
135  H HA   . SER   A 11  ? 0.196 0.196 0.196 0.000  0.000  0.000  51  SER   A HA   
136  H HB2  . SER   A 11  ? 0.230 0.230 0.230 0.000  0.000  0.000  51  SER   A HB2  
137  H HB3  . SER   A 11  ? 0.230 0.230 0.230 0.000  0.000  0.000  51  SER   A HB3  
138  H HG   . SER   A 11  ? 0.309 0.309 0.309 0.000  0.000  0.000  51  SER   A HG   
139  N N    . ASN   A 12  ? 0.164 0.192 0.140 -0.012 0.007  -0.026 52  ASN   A N    
140  C CA   . ASN   A 12  ? 0.124 0.167 0.188 -0.006 -0.009 -0.057 52  ASN   A CA   
141  C C    . ASN   A 12  ? 0.175 0.156 0.172 -0.004 -0.041 -0.031 52  ASN   A C    
142  O O    . ASN   A 12  ? 0.160 0.171 0.253 0.003  -0.033 -0.047 52  ASN   A O    
143  C CB   . ASN   A 12  ? 0.210 0.162 0.185 -0.018 -0.053 -0.040 52  ASN   A CB   
144  C CG   . ASN   A 12  ? 0.198 0.162 0.182 -0.017 -0.038 -0.052 52  ASN   A CG   
145  O OD1  . ASN   A 12  ? 0.241 0.211 0.157 -0.045 -0.019 -0.016 52  ASN   A OD1  
146  N ND2  . ASN   A 12  ? 0.254 0.162 0.156 0.002  -0.041 0.012  52  ASN   A ND2  
147  H H    . ASN   A 12  ? 0.165 0.165 0.165 0.000  0.000  0.000  52  ASN   A H    
148  H HA   . ASN   A 12  ? 0.160 0.160 0.160 0.000  0.000  0.000  52  ASN   A HA   
149  H HB2  . ASN   A 12  ? 0.186 0.186 0.186 0.000  0.000  0.000  52  ASN   A HB2  
150  H HB3  . ASN   A 12  ? 0.186 0.186 0.186 0.000  0.000  0.000  52  ASN   A HB3  
151  H HD21 . ASN   A 12  ? 0.191 0.191 0.191 0.000  0.000  0.000  52  ASN   A HD21 
152  H HD22 . ASN   A 12  ? 0.191 0.191 0.191 0.000  0.000  0.000  52  ASN   A HD22 
153  N N    . PRO   A 13  ? 0.161 0.222 0.192 -0.013 -0.017 -0.070 53  PRO   A N    
154  C CA   . PRO   A 13  ? 0.165 0.222 0.202 -0.038 0.002  -0.090 53  PRO   A CA   
155  C C    . PRO   A 13  ? 0.198 0.137 0.126 -0.045 -0.062 -0.002 53  PRO   A C    
156  O O    . PRO   A 13  ? 0.310 0.196 0.148 -0.084 0.069  -0.029 53  PRO   A O    
157  C CB   . PRO   A 13  ? 0.203 0.315 0.334 -0.040 -0.006 -0.156 53  PRO   A CB   
158  C CG   . PRO   A 13  ? 0.193 0.267 0.289 0.002  -0.099 -0.094 53  PRO   A CG   
159  C CD   . PRO   A 13  ? 0.177 0.272 0.219 0.001  -0.048 -0.090 53  PRO   A CD   
160  H HA   . PRO   A 13  ? 0.196 0.196 0.196 0.000  0.000  0.000  53  PRO   A HA   
161  H HB2  . PRO   A 13  ? 0.284 0.284 0.284 0.000  0.000  0.000  53  PRO   A HB2  
162  H HB3  . PRO   A 13  ? 0.284 0.284 0.284 0.000  0.000  0.000  53  PRO   A HB3  
163  H HG2  . PRO   A 13  ? 0.250 0.250 0.250 0.000  0.000  0.000  53  PRO   A HG2  
164  H HG3  . PRO   A 13  ? 0.250 0.250 0.250 0.000  0.000  0.000  53  PRO   A HG3  
165  H HD2  . PRO   A 13  ? 0.223 0.223 0.223 0.000  0.000  0.000  53  PRO   A HD2  
166  H HD3  . PRO   A 13  ? 0.223 0.223 0.223 0.000  0.000  0.000  53  PRO   A HD3  
167  N N    . ASN   A 14  ? 0.160 0.205 0.179 -0.055 -0.017 0.005  54  ASN   A N    
168  C CA   . ASN   A 14  ? 0.162 0.261 0.140 -0.001 -0.022 -0.042 54  ASN   A CA   
169  C C    . ASN   A 14  ? 0.190 0.219 0.118 -0.087 0.000  -0.002 54  ASN   A C    
170  O O    . ASN   A 14  ? 0.204 0.251 0.144 -0.053 0.011  0.006  54  ASN   A O    
171  C CB   . ASN   A 14  ? 0.146 0.310 0.281 0.006  -0.016 0.009  54  ASN   A CB   
172  C CG   . ASN   A 14  ? 0.382 0.267 0.277 -0.046 -0.069 0.069  54  ASN   A CG   
173  O OD1  . ASN   A 14  ? 0.533 0.717 1.064 -0.300 -0.143 -0.030 54  ASN   A OD1  
174  N ND2  . ASN   A 14  ? 0.363 0.661 0.787 0.012  -0.045 0.160  54  ASN   A ND2  
175  H H    . ASN   A 14  ? 0.181 0.181 0.181 0.000  0.000  0.000  54  ASN   A H    
176  H HA   . ASN   A 14  ? 0.188 0.188 0.188 0.000  0.000  0.000  54  ASN   A HA   
177  H HB2  . ASN   A 14  ? 0.246 0.246 0.246 0.000  0.000  0.000  54  ASN   A HB2  
178  H HB3  . ASN   A 14  ? 0.246 0.246 0.246 0.000  0.000  0.000  54  ASN   A HB3  
179  H HD21 . ASN   A 14  ? 0.604 0.604 0.604 0.000  0.000  0.000  54  ASN   A HD21 
180  H HD22 . ASN   A 14  ? 0.604 0.604 0.604 0.000  0.000  0.000  54  ASN   A HD22 
181  N N    . LYS   A 15  ? 0.182 0.180 0.099 -0.058 -0.012 0.010  55  LYS   A N    
182  C CA   . LYS   A 15  ? 0.172 0.185 0.111 -0.034 -0.010 -0.014 55  LYS   A CA   
183  C C    . LYS   A 15  ? 0.169 0.173 0.128 -0.033 0.022  -0.013 55  LYS   A C    
184  O O    . LYS   A 15  ? 0.168 0.163 0.255 -0.043 0.025  -0.013 55  LYS   A O    
185  C CB   . LYS   A 15  ? 0.208 0.188 0.144 -0.012 -0.033 -0.014 55  LYS   A CB   
186  C CG   . LYS   A 15  ? 0.170 0.183 0.138 -0.023 -0.006 -0.010 55  LYS   A CG   
187  C CD   . LYS   A 15  ? 0.330 0.135 0.104 0.013  0.023  0.008  55  LYS   A CD   
188  C CE   . LYS   A 15  ? 0.238 0.135 0.140 0.025  0.064  0.030  55  LYS   A CE   
189  N NZ   . LYS   A 15  ? 0.228 0.130 0.118 0.030  0.064  0.015  55  LYS   A NZ   
190  H H    . LYS   A 15  ? 0.154 0.154 0.154 0.000  0.000  0.000  55  LYS   A H    
191  H HA   . LYS   A 15  ? 0.156 0.156 0.156 0.000  0.000  0.000  55  LYS   A HA   
192  H HB2  . LYS   A 15  ? 0.180 0.180 0.180 0.000  0.000  0.000  55  LYS   A HB2  
193  H HB3  . LYS   A 15  ? 0.180 0.180 0.180 0.000  0.000  0.000  55  LYS   A HB3  
194  H HG2  . LYS   A 15  ? 0.164 0.164 0.164 0.000  0.000  0.000  55  LYS   A HG2  
195  H HG3  . LYS   A 15  ? 0.164 0.164 0.164 0.000  0.000  0.000  55  LYS   A HG3  
196  H HD2  . LYS   A 15  ? 0.190 0.190 0.190 0.000  0.000  0.000  55  LYS   A HD2  
197  H HD3  . LYS   A 15  ? 0.190 0.190 0.190 0.000  0.000  0.000  55  LYS   A HD3  
198  H HE2  . LYS   A 15  ? 0.171 0.171 0.171 0.000  0.000  0.000  55  LYS   A HE2  
199  H HE3  . LYS   A 15  ? 0.171 0.171 0.171 0.000  0.000  0.000  55  LYS   A HE3  
200  H HZ1  . LYS   A 15  ? 0.159 0.159 0.159 0.000  0.000  0.000  55  LYS   A HZ1  
201  H HZ2  . LYS   A 15  ? 0.159 0.159 0.159 0.000  0.000  0.000  55  LYS   A HZ2  
202  H HZ3  . LYS   A 15  ? 0.159 0.159 0.159 0.000  0.000  0.000  55  LYS   A HZ3  
203  N N    . PRO   A 16  ? 0.171 0.180 0.132 -0.033 0.022  -0.017 56  PRO   A N    
204  C CA   . PRO   A 16  ? 0.201 0.192 0.145 -0.031 0.042  -0.034 56  PRO   A CA   
205  C C    . PRO   A 16  ? 0.156 0.171 0.133 -0.017 0.047  -0.026 56  PRO   A C    
206  O O    . PRO   A 16  ? 0.200 0.161 0.141 -0.022 0.056  -0.029 56  PRO   A O    
207  C CB   . PRO   A 16  ? 0.190 0.198 0.148 -0.019 0.066  0.000  56  PRO   A CB   
208  C CG   . PRO   A 16  ? 0.190 0.212 0.157 -0.046 0.059  -0.015 56  PRO   A CG   
209  C CD   . PRO   A 16  ? 0.208 0.180 0.131 -0.052 0.038  -0.010 56  PRO   A CD   
210  H HA   . PRO   A 16  ? 0.179 0.179 0.179 0.000  0.000  0.000  56  PRO   A HA   
211  H HB2  . PRO   A 16  ? 0.179 0.179 0.179 0.000  0.000  0.000  56  PRO   A HB2  
212  H HB3  . PRO   A 16  ? 0.179 0.179 0.179 0.000  0.000  0.000  56  PRO   A HB3  
213  H HG2  . PRO   A 16  ? 0.186 0.186 0.186 0.000  0.000  0.000  56  PRO   A HG2  
214  H HG3  . PRO   A 16  ? 0.186 0.186 0.186 0.000  0.000  0.000  56  PRO   A HG3  
215  H HD2  . PRO   A 16  ? 0.173 0.173 0.173 0.000  0.000  0.000  56  PRO   A HD2  
216  H HD3  . PRO   A 16  ? 0.173 0.173 0.173 0.000  0.000  0.000  56  PRO   A HD3  
217  N N    . LYS   A 17  ? 0.174 0.144 0.146 -0.016 0.034  -0.038 57  LYS   A N    
218  C CA   . LYS   A 17  ? 0.160 0.140 0.148 -0.032 0.041  -0.046 57  LYS   A CA   
219  C C    . LYS   A 17  ? 0.175 0.145 0.136 -0.010 0.054  -0.019 57  LYS   A C    
220  O O    . LYS   A 17  ? 0.162 0.217 0.192 -0.006 0.057  -0.080 57  LYS   A O    
221  C CB   . LYS   A 17  ? 0.168 0.145 0.200 -0.016 0.045  -0.033 57  LYS   A CB   
222  C CG   . LYS   A 17  ? 0.175 0.156 0.150 -0.029 0.017  -0.050 57  LYS   A CG   
223  C CD   . LYS   A 17  ? 0.141 0.158 0.182 -0.021 0.017  -0.045 57  LYS   A CD   
224  C CE   . LYS   A 17  ? 0.146 0.192 0.197 -0.035 0.009  -0.071 57  LYS   A CE   
225  N NZ   . LYS   A 17  ? 0.172 0.211 0.223 -0.055 0.019  -0.098 57  LYS   A NZ   
226  H H    . LYS   A 17  ? 0.155 0.155 0.155 0.000  0.000  0.000  57  LYS   A H    
227  H HA   . LYS   A 17  ? 0.149 0.149 0.149 0.000  0.000  0.000  57  LYS   A HA   
228  H HB2  . LYS   A 17  ? 0.171 0.171 0.171 0.000  0.000  0.000  57  LYS   A HB2  
229  H HB3  . LYS   A 17  ? 0.171 0.171 0.171 0.000  0.000  0.000  57  LYS   A HB3  
230  H HG2  . LYS   A 17  ? 0.160 0.160 0.160 0.000  0.000  0.000  57  LYS   A HG2  
231  H HG3  . LYS   A 17  ? 0.160 0.160 0.160 0.000  0.000  0.000  57  LYS   A HG3  
232  H HD2  . LYS   A 17  ? 0.160 0.160 0.160 0.000  0.000  0.000  57  LYS   A HD2  
233  H HD3  . LYS   A 17  ? 0.160 0.160 0.160 0.000  0.000  0.000  57  LYS   A HD3  
234  H HE2  . LYS   A 17  ? 0.178 0.178 0.178 0.000  0.000  0.000  57  LYS   A HE2  
235  H HE3  . LYS   A 17  ? 0.178 0.178 0.178 0.000  0.000  0.000  57  LYS   A HE3  
236  H HZ1  . LYS   A 17  ? 0.202 0.202 0.202 0.000  0.000  0.000  57  LYS   A HZ1  
237  H HZ2  . LYS   A 17  ? 0.202 0.202 0.202 0.000  0.000  0.000  57  LYS   A HZ2  
238  H HZ3  . LYS   A 17  ? 0.202 0.202 0.202 0.000  0.000  0.000  57  LYS   A HZ3  
239  N N    . ARG   A 18  ? 0.145 0.147 0.116 -0.003 0.031  -0.013 58  ARG   A N    
240  C CA   . ARG   A 18  ? 0.151 0.142 0.143 0.011  0.032  -0.010 58  ARG   A CA   
241  C C    . ARG   A 18  ? 0.141 0.119 0.134 0.009  0.025  -0.001 58  ARG   A C    
242  O O    . ARG   A 18  ? 0.149 0.139 0.125 0.025  0.021  -0.008 58  ARG   A O    
243  C CB   . ARG   A 18  ? 0.172 0.184 0.111 -0.021 0.025  -0.002 58  ARG   A CB   
244  C CG   . ARG   A 18  ? 0.215 0.229 0.251 -0.051 0.025  0.010  58  ARG   A CG   
245  C CD   . ARG   A 18  ? 0.260 0.302 0.343 -0.062 0.014  0.101  58  ARG   A CD   
246  N NE   . ARG   A 18  ? 0.461 0.323 0.242 0.035  0.036  0.101  58  ARG   A NE   
247  C CZ   . ARG   A 18  ? 0.464 0.489 0.179 -0.087 0.209  0.150  58  ARG   A CZ   
248  N NH1  . ARG   A 18  ? 0.201 0.620 0.326 0.072  -0.017 0.080  58  ARG   A NH1  
249  N NH2  . ARG   A 18  ? 0.753 0.425 0.756 -0.052 0.064  0.094  58  ARG   A NH2  
250  H H    . ARG   A 18  ? 0.136 0.136 0.136 0.000  0.000  0.000  58  ARG   A H    
251  H HA   . ARG   A 18  ? 0.145 0.145 0.145 0.000  0.000  0.000  58  ARG   A HA   
252  H HB2  . ARG   A 18  ? 0.156 0.156 0.156 0.000  0.000  0.000  58  ARG   A HB2  
253  H HB3  . ARG   A 18  ? 0.156 0.156 0.156 0.000  0.000  0.000  58  ARG   A HB3  
254  H HG2  . ARG   A 18  ? 0.232 0.232 0.232 0.000  0.000  0.000  58  ARG   A HG2  
255  H HG3  . ARG   A 18  ? 0.232 0.232 0.232 0.000  0.000  0.000  58  ARG   A HG3  
256  H HD2  . ARG   A 18  ? 0.302 0.302 0.302 0.000  0.000  0.000  58  ARG   A HD2  
257  H HD3  . ARG   A 18  ? 0.302 0.302 0.302 0.000  0.000  0.000  58  ARG   A HD3  
258  H HE   . ARG   A 18  ? 0.342 0.342 0.342 0.000  0.000  0.000  58  ARG   A HE   
259  H HH11 . ARG   A 18  ? 0.382 0.382 0.382 0.000  0.000  0.000  58  ARG   A HH11 
260  H HH12 . ARG   A 18  ? 0.382 0.382 0.382 0.000  0.000  0.000  58  ARG   A HH12 
261  H HH21 . ARG   A 18  ? 0.645 0.645 0.645 0.000  0.000  0.000  58  ARG   A HH21 
262  H HH22 . ARG   A 18  ? 0.645 0.645 0.645 0.000  0.000  0.000  58  ARG   A HH22 
263  N N    . GLN   A 19  ? 0.162 0.141 0.153 0.035  0.019  -0.004 59  GLN   A N    
264  C CA   . GLN   A 19  ? 0.184 0.139 0.152 0.027  0.036  -0.003 59  GLN   A CA   
265  C C    . GLN   A 19  ? 0.162 0.148 0.143 0.033  0.037  0.011  59  GLN   A C    
266  O O    . GLN   A 19  ? 0.170 0.166 0.139 0.024  0.052  0.004  59  GLN   A O    
267  C CB   . GLN   A 19  ? 0.156 0.166 0.160 0.026  0.002  0.016  59  GLN   A CB   
268  C CG   . GLN   A 19  ? 0.200 0.171 0.166 0.027  0.006  0.008  59  GLN   A CG   
269  C CD   . GLN   A 19  ? 0.164 0.191 0.196 0.029  0.041  0.021  59  GLN   A CD   
270  O OE1  . GLN   A 19  ? 0.229 0.312 0.287 -0.010 -0.015 -0.014 59  GLN   A OE1  
271  N NE2  . GLN   A 19  ? 0.157 0.203 0.141 0.053  0.033  -0.001 59  GLN   A NE2  
272  H H    . GLN   A 19  ? 0.152 0.152 0.152 0.000  0.000  0.000  59  GLN   A H    
273  H HA   . GLN   A 19  ? 0.158 0.158 0.158 0.000  0.000  0.000  59  GLN   A HA   
274  H HB2  . GLN   A 19  ? 0.161 0.161 0.161 0.000  0.000  0.000  59  GLN   A HB2  
275  H HB3  . GLN   A 19  ? 0.161 0.161 0.161 0.000  0.000  0.000  59  GLN   A HB3  
276  H HG2  . GLN   A 19  ? 0.179 0.179 0.179 0.000  0.000  0.000  59  GLN   A HG2  
277  H HG3  . GLN   A 19  ? 0.179 0.179 0.179 0.000  0.000  0.000  59  GLN   A HG3  
278  H HE21 . GLN   A 19  ? 0.167 0.167 0.167 0.000  0.000  0.000  59  GLN   A HE21 
279  H HE22 . GLN   A 19  ? 0.167 0.167 0.167 0.000  0.000  0.000  59  GLN   A HE22 
280  N N    . THR   A 20  ? 0.156 0.157 0.120 0.029  0.044  0.001  60  THR   A N    
281  C CA   . THR   A 20  ? 0.155 0.137 0.151 0.007  0.052  0.013  60  THR   A CA   
282  C C    . THR   A 20  ? 0.146 0.134 0.135 0.021  0.044  0.004  60  THR   A C    
283  O O    . THR   A 20  ? 0.137 0.129 0.137 0.022  0.046  0.010  60  THR   A O    
284  C CB   . THR   A 20  ? 0.172 0.154 0.147 0.004  0.061  0.028  60  THR   A CB   
285  O OG1  . THR   A 20  ? 0.176 0.149 0.138 0.012  0.043  0.009  60  THR   A OG1  
286  C CG2  . THR   A 20  ? 0.284 0.188 0.158 -0.011 0.069  0.028  60  THR   A CG2  
287  H H    . THR   A 20  ? 0.144 0.144 0.144 0.000  0.000  0.000  60  THR   A H    
288  H HA   . THR   A 20  ? 0.148 0.148 0.148 0.000  0.000  0.000  60  THR   A HA   
289  H HB   . THR   A 20  ? 0.158 0.158 0.158 0.000  0.000  0.000  60  THR   A HB   
290  H HG1  . THR   A 20  ? 0.154 0.154 0.154 0.000  0.000  0.000  60  THR   A HG1  
291  H HG21 . THR   A 20  ? 0.210 0.210 0.210 0.000  0.000  0.000  60  THR   A HG21 
292  H HG22 . THR   A 20  ? 0.210 0.210 0.210 0.000  0.000  0.000  60  THR   A HG22 
293  H HG23 . THR   A 20  ? 0.210 0.210 0.210 0.000  0.000  0.000  60  THR   A HG23 
294  N N    A ASN   A 21  ? 0.138 0.138 0.146 0.043  0.055  0.021  61  ASN   A N    
295  N N    B ASN   A 21  ? 0.137 0.169 0.162 0.034  0.064  0.028  61  ASN   A N    
296  C CA   A ASN   A 21  ? 0.105 0.175 0.147 0.023  0.064  0.043  61  ASN   A CA   
297  C CA   B ASN   A 21  ? 0.115 0.164 0.163 0.023  0.044  0.024  61  ASN   A CA   
298  C C    A ASN   A 21  ? 0.097 0.163 0.145 0.013  0.043  0.029  61  ASN   A C    
299  C C    B ASN   A 21  ? 0.093 0.169 0.140 0.020  0.039  0.029  61  ASN   A C    
300  O O    A ASN   A 21  ? 0.097 0.166 0.132 0.011  0.029  0.024  61  ASN   A O    
301  O O    B ASN   A 21  ? 0.098 0.167 0.133 0.012  0.030  0.024  61  ASN   A O    
302  C CB   A ASN   A 21  ? 0.104 0.134 0.140 0.016  0.062  0.027  61  ASN   A CB   
303  C CB   B ASN   A 21  ? 0.150 0.093 0.191 -0.012 0.004  -0.009 61  ASN   A CB   
304  C CG   A ASN   A 21  ? 0.130 0.139 0.153 0.010  0.008  0.033  61  ASN   A CG   
305  C CG   B ASN   A 21  ? 0.146 0.157 0.196 -0.010 0.054  0.003  61  ASN   A CG   
306  O OD1  A ASN   A 21  ? 0.164 0.231 0.263 -0.081 -0.041 0.136  61  ASN   A OD1  
307  O OD1  B ASN   A 21  ? 0.185 0.149 0.234 0.029  0.058  0.007  61  ASN   A OD1  
308  N ND2  A ASN   A 21  ? 0.191 0.118 0.159 -0.014 0.000  0.011  61  ASN   A ND2  
309  N ND2  B ASN   A 21  ? 0.149 0.179 0.220 0.015  0.092  0.007  61  ASN   A ND2  
310  H H    A ASN   A 21  ? 0.141 0.141 0.141 0.000  0.000  0.000  61  ASN   A H    
311  H H    B ASN   A 21  ? 0.156 0.156 0.156 0.000  0.000  0.000  61  ASN   A H    
312  H HA   A ASN   A 21  ? 0.142 0.142 0.142 0.000  0.000  0.000  61  ASN   A HA   
313  H HA   B ASN   A 21  ? 0.147 0.147 0.147 0.000  0.000  0.000  61  ASN   A HA   
314  H HB2  A ASN   A 21  ? 0.126 0.126 0.126 0.000  0.000  0.000  61  ASN   A HB2  
315  H HB2  B ASN   A 21  ? 0.145 0.145 0.145 0.000  0.000  0.000  61  ASN   A HB2  
316  H HB3  A ASN   A 21  ? 0.126 0.126 0.126 0.000  0.000  0.000  61  ASN   A HB3  
317  H HB3  B ASN   A 21  ? 0.145 0.145 0.145 0.000  0.000  0.000  61  ASN   A HB3  
318  H HD21 A ASN   A 21  ? 0.156 0.156 0.156 0.000  0.000  0.000  61  ASN   A HD21 
319  H HD21 B ASN   A 21  ? 0.183 0.183 0.183 0.000  0.000  0.000  61  ASN   A HD21 
320  H HD22 A ASN   A 21  ? 0.156 0.156 0.156 0.000  0.000  0.000  61  ASN   A HD22 
321  H HD22 B ASN   A 21  ? 0.183 0.183 0.183 0.000  0.000  0.000  61  ASN   A HD22 
322  N N    . GLN   A 22  ? 0.109 0.168 0.137 0.005  0.034  0.025  62  GLN   A N    
323  C CA   . GLN   A 22  ? 0.109 0.154 0.132 -0.011 0.022  0.018  62  GLN   A CA   
324  C C    . GLN   A 22  ? 0.106 0.110 0.123 -0.004 0.023  0.013  62  GLN   A C    
325  O O    . GLN   A 22  ? 0.108 0.111 0.125 -0.005 0.009  0.004  62  GLN   A O    
326  C CB   . GLN   A 22  ? 0.124 0.158 0.161 -0.012 0.006  0.026  62  GLN   A CB   
327  C CG   . GLN   A 22  ? 0.135 0.231 0.202 -0.037 0.020  0.032  62  GLN   A CG   
328  C CD   . GLN   A 22  ? 0.172 0.237 0.236 -0.045 0.041  0.047  62  GLN   A CD   
329  O OE1  . GLN   A 22  ? 0.215 0.195 0.327 -0.068 0.015  0.083  62  GLN   A OE1  
330  N NE2  . GLN   A 22  ? 0.168 0.239 0.306 -0.069 0.038  0.037  62  GLN   A NE2  
331  H H    . GLN   A 22  ? 0.138 0.138 0.138 0.000  0.000  0.000  62  GLN   A H    
332  H HA   . GLN   A 22  ? 0.132 0.132 0.132 0.000  0.000  0.000  62  GLN   A HA   
333  H HB2  . GLN   A 22  ? 0.148 0.148 0.148 0.000  0.000  0.000  62  GLN   A HB2  
334  H HB3  . GLN   A 22  ? 0.148 0.148 0.148 0.000  0.000  0.000  62  GLN   A HB3  
335  H HG2  . GLN   A 22  ? 0.189 0.189 0.189 0.000  0.000  0.000  62  GLN   A HG2  
336  H HG3  . GLN   A 22  ? 0.189 0.189 0.189 0.000  0.000  0.000  62  GLN   A HG3  
337  H HE21 . GLN   A 22  ? 0.238 0.238 0.238 0.000  0.000  0.000  62  GLN   A HE21 
338  H HE22 . GLN   A 22  ? 0.238 0.238 0.238 0.000  0.000  0.000  62  GLN   A HE22 
339  N N    . LEU   A 23  ? 0.100 0.114 0.116 0.005  0.015  0.010  63  LEU   A N    
340  C CA   . LEU   A 23  ? 0.107 0.105 0.107 0.006  0.005  0.005  63  LEU   A CA   
341  C C    . LEU   A 23  ? 0.101 0.104 0.101 0.003  -0.003 0.006  63  LEU   A C    
342  O O    . LEU   A 23  ? 0.102 0.100 0.102 0.011  0.004  0.002  63  LEU   A O    
343  C CB   . LEU   A 23  ? 0.125 0.120 0.107 0.000  0.000  0.019  63  LEU   A CB   
344  C CG   . LEU   A 23  ? 0.133 0.123 0.140 -0.010 0.003  0.037  63  LEU   A CG   
345  C CD1  . LEU   A 23  ? 0.141 0.190 0.123 -0.002 0.004  0.041  63  LEU   A CD1  
346  C CD2  . LEU   A 23  ? 0.138 0.123 0.151 0.008  -0.016 0.036  63  LEU   A CD2  
347  H H    . LEU   A 23  ? 0.110 0.110 0.110 0.000  0.000  0.000  63  LEU   A H    
348  H HA   . LEU   A 23  ? 0.106 0.106 0.106 0.000  0.000  0.000  63  LEU   A HA   
349  H HB2  . LEU   A 23  ? 0.117 0.117 0.117 0.000  0.000  0.000  63  LEU   A HB2  
350  H HB3  . LEU   A 23  ? 0.117 0.117 0.117 0.000  0.000  0.000  63  LEU   A HB3  
351  H HG   . LEU   A 23  ? 0.132 0.132 0.132 0.000  0.000  0.000  63  LEU   A HG   
352  H HD11 . LEU   A 23  ? 0.151 0.151 0.151 0.000  0.000  0.000  63  LEU   A HD11 
353  H HD12 . LEU   A 23  ? 0.151 0.151 0.151 0.000  0.000  0.000  63  LEU   A HD12 
354  H HD13 . LEU   A 23  ? 0.151 0.151 0.151 0.000  0.000  0.000  63  LEU   A HD13 
355  H HD21 . LEU   A 23  ? 0.137 0.137 0.137 0.000  0.000  0.000  63  LEU   A HD21 
356  H HD22 . LEU   A 23  ? 0.137 0.137 0.137 0.000  0.000  0.000  63  LEU   A HD22 
357  H HD23 . LEU   A 23  ? 0.137 0.137 0.137 0.000  0.000  0.000  63  LEU   A HD23 
358  N N    . GLN   A 24  ? 0.110 0.104 0.102 0.014  0.007  -0.002 64  GLN   A N    
359  C CA   . GLN   A 24  ? 0.106 0.092 0.099 0.012  0.001  0.001  64  GLN   A CA   
360  C C    . GLN   A 24  ? 0.092 0.095 0.098 0.017  0.003  0.004  64  GLN   A C    
361  O O    . GLN   A 24  ? 0.104 0.102 0.103 0.005  0.009  -0.002 64  GLN   A O    
362  C CB   . GLN   A 24  ? 0.113 0.111 0.109 0.018  0.009  -0.001 64  GLN   A CB   
363  C CG   . GLN   A 24  ? 0.141 0.095 0.106 0.021  0.014  0.003  64  GLN   A CG   
364  C CD   . GLN   A 24  ? 0.138 0.100 0.109 0.007  0.005  0.001  64  GLN   A CD   
365  O OE1  . GLN   A 24  ? 0.148 0.119 0.116 -0.001 0.014  -0.007 64  GLN   A OE1  
366  N NE2  . GLN   A 24  ? 0.166 0.114 0.125 0.002  0.016  -0.020 64  GLN   A NE2  
367  H H    . GLN   A 24  ? 0.105 0.105 0.105 0.000  0.000  0.000  64  GLN   A H    
368  H HA   . GLN   A 24  ? 0.099 0.099 0.099 0.000  0.000  0.000  64  GLN   A HA   
369  H HB2  . GLN   A 24  ? 0.111 0.111 0.111 0.000  0.000  0.000  64  GLN   A HB2  
370  H HB3  . GLN   A 24  ? 0.111 0.111 0.111 0.000  0.000  0.000  64  GLN   A HB3  
371  H HG2  . GLN   A 24  ? 0.114 0.114 0.114 0.000  0.000  0.000  64  GLN   A HG2  
372  H HG3  . GLN   A 24  ? 0.114 0.114 0.114 0.000  0.000  0.000  64  GLN   A HG3  
373  H HE21 . GLN   A 24  ? 0.135 0.135 0.135 0.000  0.000  0.000  64  GLN   A HE21 
374  H HE22 . GLN   A 24  ? 0.135 0.135 0.135 0.000  0.000  0.000  64  GLN   A HE22 
375  N N    . TYR   A 25  ? 0.091 0.105 0.098 0.009  0.007  -0.012 65  TYR   A N    
376  C CA   . TYR   A 25  ? 0.096 0.104 0.098 0.011  0.001  -0.006 65  TYR   A CA   
377  C C    . TYR   A 25  ? 0.094 0.098 0.099 0.002  0.007  -0.008 65  TYR   A C    
378  O O    . TYR   A 25  ? 0.094 0.102 0.096 0.012  0.005  -0.002 65  TYR   A O    
379  C CB   . TYR   A 25  ? 0.093 0.111 0.117 0.009  0.004  -0.002 65  TYR   A CB   
380  C CG   . TYR   A 25  ? 0.086 0.110 0.114 0.010  0.006  -0.008 65  TYR   A CG   
381  C CD1  . TYR   A 25  ? 0.084 0.108 0.120 0.007  -0.010 -0.001 65  TYR   A CD1  
382  C CD2  . TYR   A 25  ? 0.124 0.125 0.123 0.021  -0.015 -0.012 65  TYR   A CD2  
383  C CE1  . TYR   A 25  ? 0.104 0.118 0.114 0.000  -0.002 -0.011 65  TYR   A CE1  
384  C CE2  . TYR   A 25  ? 0.136 0.126 0.131 0.004  -0.023 0.009  65  TYR   A CE2  
385  C CZ   . TYR   A 25  ? 0.116 0.126 0.118 -0.003 -0.012 -0.014 65  TYR   A CZ   
386  O OH   . TYR   A 25  ? 0.146 0.147 0.128 -0.004 -0.017 -0.019 65  TYR   A OH   
387  H H    . TYR   A 25  ? 0.098 0.098 0.098 0.000  0.000  0.000  65  TYR   A H    
388  H HA   . TYR   A 25  ? 0.099 0.099 0.099 0.000  0.000  0.000  65  TYR   A HA   
389  H HB2  . TYR   A 25  ? 0.107 0.107 0.107 0.000  0.000  0.000  65  TYR   A HB2  
390  H HB3  . TYR   A 25  ? 0.107 0.107 0.107 0.000  0.000  0.000  65  TYR   A HB3  
391  H HD1  . TYR   A 25  ? 0.104 0.104 0.104 0.000  0.000  0.000  65  TYR   A HD1  
392  H HD2  . TYR   A 25  ? 0.124 0.124 0.124 0.000  0.000  0.000  65  TYR   A HD2  
393  H HE1  . TYR   A 25  ? 0.112 0.112 0.112 0.000  0.000  0.000  65  TYR   A HE1  
394  H HE2  . TYR   A 25  ? 0.131 0.131 0.131 0.000  0.000  0.000  65  TYR   A HE2  
395  H HH   . TYR   A 25  ? 0.140 0.140 0.140 0.000  0.000  0.000  65  TYR   A HH   
396  N N    . LEU   A 26  ? 0.091 0.094 0.096 0.007  0.012  -0.006 66  LEU   A N    
397  C CA   . LEU   A 26  ? 0.104 0.095 0.106 0.007  0.010  -0.005 66  LEU   A CA   
398  C C    . LEU   A 26  ? 0.092 0.094 0.084 0.010  0.010  0.000  66  LEU   A C    
399  O O    . LEU   A 26  ? 0.098 0.120 0.098 0.003  0.006  -0.012 66  LEU   A O    
400  C CB   . LEU   A 26  ? 0.104 0.091 0.115 0.006  0.003  -0.001 66  LEU   A CB   
401  C CG   . LEU   A 26  ? 0.153 0.115 0.127 -0.017 -0.002 0.013  66  LEU   A CG   
402  C CD1  . LEU   A 26  ? 0.192 0.138 0.153 -0.006 0.010  0.008  66  LEU   A CD1  
403  C CD2  . LEU   A 26  ? 0.271 0.138 0.141 -0.036 0.008  -0.003 66  LEU   A CD2  
404  H H    . LEU   A 26  ? 0.094 0.094 0.094 0.000  0.000  0.000  66  LEU   A H    
405  H HA   . LEU   A 26  ? 0.102 0.102 0.102 0.000  0.000  0.000  66  LEU   A HA   
406  H HB2  . LEU   A 26  ? 0.103 0.103 0.103 0.000  0.000  0.000  66  LEU   A HB2  
407  H HB3  . LEU   A 26  ? 0.103 0.103 0.103 0.000  0.000  0.000  66  LEU   A HB3  
408  H HG   . LEU   A 26  ? 0.132 0.132 0.132 0.000  0.000  0.000  66  LEU   A HG   
409  H HD11 . LEU   A 26  ? 0.161 0.161 0.161 0.000  0.000  0.000  66  LEU   A HD11 
410  H HD12 . LEU   A 26  ? 0.161 0.161 0.161 0.000  0.000  0.000  66  LEU   A HD12 
411  H HD13 . LEU   A 26  ? 0.161 0.161 0.161 0.000  0.000  0.000  66  LEU   A HD13 
412  H HD21 . LEU   A 26  ? 0.183 0.183 0.183 0.000  0.000  0.000  66  LEU   A HD21 
413  H HD22 . LEU   A 26  ? 0.183 0.183 0.183 0.000  0.000  0.000  66  LEU   A HD22 
414  H HD23 . LEU   A 26  ? 0.183 0.183 0.183 0.000  0.000  0.000  66  LEU   A HD23 
415  N N    . LEU   A 27  ? 0.093 0.090 0.089 0.006  0.006  0.000  67  LEU   A N    
416  C CA   . LEU   A 27  ? 0.089 0.096 0.095 0.003  -0.002 0.000  67  LEU   A CA   
417  C C    . LEU   A 27  ? 0.090 0.106 0.099 0.005  0.006  0.004  67  LEU   A C    
418  O O    . LEU   A 27  ? 0.102 0.110 0.107 0.015  0.014  0.008  67  LEU   A O    
419  C CB   . LEU   A 27  ? 0.118 0.095 0.098 0.009  0.000  0.008  67  LEU   A CB   
420  C CG   . LEU   A 27  ? 0.171 0.106 0.112 -0.014 -0.014 0.010  67  LEU   A CG   
421  C CD1  . LEU   A 27  ? 0.128 0.131 0.128 -0.026 -0.023 0.021  67  LEU   A CD1  
422  C CD2  . LEU   A 27  ? 0.197 0.147 0.157 -0.042 -0.034 -0.039 67  LEU   A CD2  
423  H H    . LEU   A 27  ? 0.091 0.091 0.091 0.000  0.000  0.000  67  LEU   A H    
424  H HA   . LEU   A 27  ? 0.093 0.093 0.093 0.000  0.000  0.000  67  LEU   A HA   
425  H HB2  . LEU   A 27  ? 0.104 0.104 0.104 0.000  0.000  0.000  67  LEU   A HB2  
426  H HB3  . LEU   A 27  ? 0.104 0.104 0.104 0.000  0.000  0.000  67  LEU   A HB3  
427  H HG   . LEU   A 27  ? 0.130 0.130 0.130 0.000  0.000  0.000  67  LEU   A HG   
428  H HD11 . LEU   A 27  ? 0.129 0.129 0.129 0.000  0.000  0.000  67  LEU   A HD11 
429  H HD12 . LEU   A 27  ? 0.129 0.129 0.129 0.000  0.000  0.000  67  LEU   A HD12 
430  H HD13 . LEU   A 27  ? 0.129 0.129 0.129 0.000  0.000  0.000  67  LEU   A HD13 
431  H HD21 . LEU   A 27  ? 0.167 0.167 0.167 0.000  0.000  0.000  67  LEU   A HD21 
432  H HD22 . LEU   A 27  ? 0.167 0.167 0.167 0.000  0.000  0.000  67  LEU   A HD22 
433  H HD23 . LEU   A 27  ? 0.167 0.167 0.167 0.000  0.000  0.000  67  LEU   A HD23 
434  N N    . ARG   A 28  ? 0.096 0.094 0.102 0.009  0.008  0.010  68  ARG   A N    
435  C CA   . ARG   A 28  ? 0.110 0.099 0.101 0.009  0.012  0.009  68  ARG   A CA   
436  C C    . ARG   A 28  ? 0.122 0.094 0.118 0.014  0.007  0.018  68  ARG   A C    
437  O O    . ARG   A 28  ? 0.178 0.121 0.114 -0.013 -0.002 0.018  68  ARG   A O    
438  C CB   . ARG   A 28  ? 0.104 0.089 0.116 0.011  0.001  -0.002 68  ARG   A CB   
439  C CG   . ARG   A 28  ? 0.100 0.099 0.120 0.010  -0.001 -0.004 68  ARG   A CG   
440  C CD   . ARG   A 28  ? 0.112 0.095 0.136 0.006  0.013  0.002  68  ARG   A CD   
441  N NE   . ARG   A 28  ? 0.159 0.131 0.152 0.003  0.004  0.005  68  ARG   A NE   
442  C CZ   . ARG   A 28  ? 0.165 0.135 0.122 0.005  -0.010 0.008  68  ARG   A CZ   
443  N NH1  . ARG   A 28  ? 0.131 0.105 0.125 -0.005 -0.013 -0.007 68  ARG   A NH1  
444  N NH2  . ARG   A 28  ? 0.189 0.165 0.134 0.019  -0.006 0.005  68  ARG   A NH2  
445  H H    . ARG   A 28  ? 0.097 0.097 0.097 0.000  0.000  0.000  68  ARG   A H    
446  H HA   . ARG   A 28  ? 0.103 0.103 0.103 0.000  0.000  0.000  68  ARG   A HA   
447  H HB2  . ARG   A 28  ? 0.103 0.103 0.103 0.000  0.000  0.000  68  ARG   A HB2  
448  H HB3  . ARG   A 28  ? 0.103 0.103 0.103 0.000  0.000  0.000  68  ARG   A HB3  
449  H HG2  . ARG   A 28  ? 0.106 0.106 0.106 0.000  0.000  0.000  68  ARG   A HG2  
450  H HG3  . ARG   A 28  ? 0.106 0.106 0.106 0.000  0.000  0.000  68  ARG   A HG3  
451  H HD2  . ARG   A 28  ? 0.114 0.114 0.114 0.000  0.000  0.000  68  ARG   A HD2  
452  H HD3  . ARG   A 28  ? 0.114 0.114 0.114 0.000  0.000  0.000  68  ARG   A HD3  
453  H HE   . ARG   A 28  ? 0.147 0.147 0.147 0.000  0.000  0.000  68  ARG   A HE   
454  H HH11 . ARG   A 28  ? 0.120 0.120 0.120 0.000  0.000  0.000  68  ARG   A HH11 
455  H HH12 . ARG   A 28  ? 0.120 0.120 0.120 0.000  0.000  0.000  68  ARG   A HH12 
456  H HH21 . ARG   A 28  ? 0.163 0.163 0.163 0.000  0.000  0.000  68  ARG   A HH21 
457  H HH22 . ARG   A 28  ? 0.163 0.163 0.163 0.000  0.000  0.000  68  ARG   A HH22 
458  N N    . VAL   A 29  ? 0.121 0.104 0.100 0.007  0.000  0.004  69  VAL   A N    
459  C CA   . VAL   A 29  ? 0.118 0.125 0.098 0.014  -0.001 -0.001 69  VAL   A CA   
460  C C    . VAL   A 29  ? 0.127 0.138 0.083 0.019  0.008  -0.001 69  VAL   A C    
461  O O    . VAL   A 29  ? 0.139 0.136 0.111 0.024  0.019  0.009  69  VAL   A O    
462  C CB   . VAL   A 29  ? 0.116 0.114 0.099 0.019  -0.011 0.002  69  VAL   A CB   
463  C CG1  . VAL   A 29  ? 0.124 0.135 0.122 0.006  -0.005 -0.011 69  VAL   A CG1  
464  C CG2  . VAL   A 29  ? 0.118 0.130 0.131 0.026  -0.008 0.002  69  VAL   A CG2  
465  H H    . VAL   A 29  ? 0.108 0.108 0.108 0.000  0.000  0.000  69  VAL   A H    
466  H HA   . VAL   A 29  ? 0.114 0.114 0.114 0.000  0.000  0.000  69  VAL   A HA   
467  H HB   . VAL   A 29  ? 0.110 0.110 0.110 0.000  0.000  0.000  69  VAL   A HB   
468  H HG11 . VAL   A 29  ? 0.127 0.127 0.127 0.000  0.000  0.000  69  VAL   A HG11 
469  H HG12 . VAL   A 29  ? 0.127 0.127 0.127 0.000  0.000  0.000  69  VAL   A HG12 
470  H HG13 . VAL   A 29  ? 0.127 0.127 0.127 0.000  0.000  0.000  69  VAL   A HG13 
471  H HG21 . VAL   A 29  ? 0.126 0.126 0.126 0.000  0.000  0.000  69  VAL   A HG21 
472  H HG22 . VAL   A 29  ? 0.126 0.126 0.126 0.000  0.000  0.000  69  VAL   A HG22 
473  H HG23 . VAL   A 29  ? 0.126 0.126 0.126 0.000  0.000  0.000  69  VAL   A HG23 
474  N N    . VAL   A 30  ? 0.115 0.120 0.093 0.019  0.002  -0.002 70  VAL   A N    
475  C CA   . VAL   A 30  ? 0.109 0.106 0.091 0.014  -0.004 -0.016 70  VAL   A CA   
476  C C    . VAL   A 30  ? 0.115 0.104 0.104 0.020  0.009  -0.002 70  VAL   A C    
477  O O    . VAL   A 30  ? 0.113 0.123 0.102 0.010  0.014  -0.009 70  VAL   A O    
478  C CB   . VAL   A 30  ? 0.106 0.104 0.108 0.006  0.009  -0.016 70  VAL   A CB   
479  C CG1  . VAL   A 30  ? 0.126 0.103 0.131 -0.009 0.013  -0.014 70  VAL   A CG1  
480  C CG2  . VAL   A 30  ? 0.122 0.120 0.120 -0.017 -0.001 -0.025 70  VAL   A CG2  
481  H H    . VAL   A 30  ? 0.109 0.109 0.109 0.000  0.000  0.000  70  VAL   A H    
482  H HA   . VAL   A 30  ? 0.102 0.102 0.102 0.000  0.000  0.000  70  VAL   A HA   
483  H HB   . VAL   A 30  ? 0.106 0.106 0.106 0.000  0.000  0.000  70  VAL   A HB   
484  H HG11 . VAL   A 30  ? 0.120 0.120 0.120 0.000  0.000  0.000  70  VAL   A HG11 
485  H HG12 . VAL   A 30  ? 0.120 0.120 0.120 0.000  0.000  0.000  70  VAL   A HG12 
486  H HG13 . VAL   A 30  ? 0.120 0.120 0.120 0.000  0.000  0.000  70  VAL   A HG13 
487  H HG21 . VAL   A 30  ? 0.121 0.121 0.121 0.000  0.000  0.000  70  VAL   A HG21 
488  H HG22 . VAL   A 30  ? 0.121 0.121 0.121 0.000  0.000  0.000  70  VAL   A HG22 
489  H HG23 . VAL   A 30  ? 0.121 0.121 0.121 0.000  0.000  0.000  70  VAL   A HG23 
490  N N    . LEU   A 31  ? 0.095 0.105 0.104 0.005  0.014  -0.004 71  LEU   A N    
491  C CA   . LEU   A 31  ? 0.094 0.110 0.118 0.008  0.015  -0.009 71  LEU   A CA   
492  C C    . LEU   A 31  ? 0.106 0.120 0.103 0.009  0.014  -0.006 71  LEU   A C    
493  O O    . LEU   A 31  ? 0.111 0.150 0.108 0.000  0.020  -0.015 71  LEU   A O    
494  C CB   . LEU   A 31  ? 0.102 0.120 0.114 0.001  0.015  -0.007 71  LEU   A CB   
495  C CG   . LEU   A 31  ? 0.102 0.141 0.145 0.006  0.009  -0.019 71  LEU   A CG   
496  C CD1  . LEU   A 31  ? 0.124 0.147 0.132 -0.002 0.012  0.000  71  LEU   A CD1  
497  C CD2  . LEU   A 31  ? 0.104 0.136 0.152 -0.013 0.014  -0.010 71  LEU   A CD2  
498  H H    . LEU   A 31  ? 0.101 0.101 0.101 0.000  0.000  0.000  71  LEU   A H    
499  H HA   . LEU   A 31  ? 0.107 0.107 0.107 0.000  0.000  0.000  71  LEU   A HA   
500  H HB2  . LEU   A 31  ? 0.112 0.112 0.112 0.000  0.000  0.000  71  LEU   A HB2  
501  H HB3  . LEU   A 31  ? 0.112 0.112 0.112 0.000  0.000  0.000  71  LEU   A HB3  
502  H HG   . LEU   A 31  ? 0.129 0.129 0.129 0.000  0.000  0.000  71  LEU   A HG   
503  H HD11 . LEU   A 31  ? 0.134 0.134 0.134 0.000  0.000  0.000  71  LEU   A HD11 
504  H HD12 . LEU   A 31  ? 0.134 0.134 0.134 0.000  0.000  0.000  71  LEU   A HD12 
505  H HD13 . LEU   A 31  ? 0.134 0.134 0.134 0.000  0.000  0.000  71  LEU   A HD13 
506  H HD21 . LEU   A 31  ? 0.131 0.131 0.131 0.000  0.000  0.000  71  LEU   A HD21 
507  H HD22 . LEU   A 31  ? 0.131 0.131 0.131 0.000  0.000  0.000  71  LEU   A HD22 
508  H HD23 . LEU   A 31  ? 0.131 0.131 0.131 0.000  0.000  0.000  71  LEU   A HD23 
509  N N    . LYS   A 32  ? 0.130 0.109 0.114 0.001  0.026  0.003  72  LYS   A N    
510  C CA   . LYS   A 32  ? 0.174 0.131 0.129 -0.004 0.041  0.006  72  LYS   A CA   
511  C C    . LYS   A 32  ? 0.151 0.125 0.132 0.005  0.037  0.013  72  LYS   A C    
512  O O    . LYS   A 32  ? 0.155 0.150 0.135 -0.004 0.043  0.011  72  LYS   A O    
513  C CB   . LYS   A 32  ? 0.285 0.140 0.152 0.024  0.075  0.031  72  LYS   A CB   
514  C CG   . LYS   A 32  ? 0.279 0.211 0.239 -0.042 0.054  -0.033 72  LYS   A CG   
515  C CD   . LYS   A 32  ? 0.274 0.252 0.346 0.043  0.018  -0.035 72  LYS   A CD   
516  C CE   . LYS   A 32  ? 0.412 0.235 0.335 0.009  0.018  -0.042 72  LYS   A CE   
517  N NZ   . LYS   A 32  ? 0.243 0.266 0.649 -0.020 0.063  -0.020 72  LYS   A NZ   
518  H H    . LYS   A 32  ? 0.118 0.118 0.118 0.000  0.000  0.000  72  LYS   A H    
519  H HA   . LYS   A 32  ? 0.145 0.145 0.145 0.000  0.000  0.000  72  LYS   A HA   
520  H HB2  . LYS   A 32  ? 0.192 0.192 0.192 0.000  0.000  0.000  72  LYS   A HB2  
521  H HB3  . LYS   A 32  ? 0.192 0.192 0.192 0.000  0.000  0.000  72  LYS   A HB3  
522  H HG2  . LYS   A 32  ? 0.243 0.243 0.243 0.000  0.000  0.000  72  LYS   A HG2  
523  H HG3  . LYS   A 32  ? 0.243 0.243 0.243 0.000  0.000  0.000  72  LYS   A HG3  
524  H HD2  . LYS   A 32  ? 0.291 0.291 0.291 0.000  0.000  0.000  72  LYS   A HD2  
525  H HD3  . LYS   A 32  ? 0.291 0.291 0.291 0.000  0.000  0.000  72  LYS   A HD3  
526  H HE2  . LYS   A 32  ? 0.327 0.327 0.327 0.000  0.000  0.000  72  LYS   A HE2  
527  H HE3  . LYS   A 32  ? 0.327 0.327 0.327 0.000  0.000  0.000  72  LYS   A HE3  
528  H HZ1  . LYS   A 32  ? 0.386 0.386 0.386 0.000  0.000  0.000  72  LYS   A HZ1  
529  H HZ2  . LYS   A 32  ? 0.386 0.386 0.386 0.000  0.000  0.000  72  LYS   A HZ2  
530  H HZ3  . LYS   A 32  ? 0.386 0.386 0.386 0.000  0.000  0.000  72  LYS   A HZ3  
531  N N    . THR   A 33  ? 0.144 0.120 0.110 0.024  0.031  0.017  73  THR   A N    
532  C CA   . THR   A 33  ? 0.142 0.141 0.127 0.031  0.012  0.027  73  THR   A CA   
533  C C    . THR   A 33  ? 0.108 0.129 0.103 0.007  0.008  0.009  73  THR   A C    
534  O O    . THR   A 33  ? 0.163 0.131 0.121 0.023  0.027  0.026  73  THR   A O    
535  C CB   . THR   A 33  ? 0.128 0.191 0.154 0.037  -0.009 0.010  73  THR   A CB   
536  O OG1  . THR   A 33  ? 0.160 0.230 0.153 0.072  -0.008 0.023  73  THR   A OG1  
537  C CG2  . THR   A 33  ? 0.160 0.341 0.165 0.038  -0.013 -0.023 73  THR   A CG2  
538  H H    . THR   A 33  ? 0.125 0.125 0.125 0.000  0.000  0.000  73  THR   A H    
539  H HA   . THR   A 33  ? 0.137 0.137 0.137 0.000  0.000  0.000  73  THR   A HA   
540  H HB   . THR   A 33  ? 0.158 0.158 0.158 0.000  0.000  0.000  73  THR   A HB   
541  H HG1  . THR   A 33  ? 0.181 0.181 0.181 0.000  0.000  0.000  73  THR   A HG1  
542  H HG21 . THR   A 33  ? 0.222 0.222 0.222 0.000  0.000  0.000  73  THR   A HG21 
543  H HG22 . THR   A 33  ? 0.222 0.222 0.222 0.000  0.000  0.000  73  THR   A HG22 
544  H HG23 . THR   A 33  ? 0.222 0.222 0.222 0.000  0.000  0.000  73  THR   A HG23 
545  N N    . LEU   A 34  ? 0.118 0.118 0.091 0.013  0.010  0.014  74  LEU   A N    
546  C CA   A LEU   A 34  ? 0.111 0.112 0.105 0.006  0.010  0.005  74  LEU   A CA   
547  C CA   B LEU   A 34  ? 0.109 0.103 0.092 0.004  0.009  0.006  74  LEU   A CA   
548  C C    . LEU   A 34  ? 0.118 0.097 0.100 0.000  0.022  0.007  74  LEU   A C    
549  O O    . LEU   A 34  ? 0.116 0.111 0.117 0.002  0.030  -0.002 74  LEU   A O    
550  C CB   A LEU   A 34  ? 0.119 0.120 0.116 0.010  -0.013 0.013  74  LEU   A CB   
551  C CB   B LEU   A 34  ? 0.089 0.104 0.094 0.008  0.002  0.007  74  LEU   A CB   
552  C CG   A LEU   A 34  ? 0.110 0.149 0.132 -0.008 -0.026 0.015  74  LEU   A CG   
553  C CG   B LEU   A 34  ? 0.099 0.098 0.092 0.000  0.000  -0.003 74  LEU   A CG   
554  C CD1  A LEU   A 34  ? 0.127 0.119 0.136 -0.011 -0.016 0.001  74  LEU   A CD1  
555  C CD1  B LEU   A 34  ? 0.115 0.091 0.094 -0.005 0.016  -0.004 74  LEU   A CD1  
556  C CD2  A LEU   A 34  ? 0.112 0.152 0.137 -0.010 -0.031 0.011  74  LEU   A CD2  
557  C CD2  B LEU   A 34  ? 0.129 0.113 0.102 -0.027 -0.003 -0.016 74  LEU   A CD2  
558  H H    . LEU   A 34  ? 0.109 0.109 0.109 0.000  0.000  0.000  74  LEU   A H    
559  H HA   A LEU   A 34  ? 0.109 0.109 0.109 0.000  0.000  0.000  74  LEU   A HA   
560  H HA   B LEU   A 34  ? 0.101 0.101 0.101 0.000  0.000  0.000  74  LEU   A HA   
561  H HB2  A LEU   A 34  ? 0.118 0.118 0.118 0.000  0.000  0.000  74  LEU   A HB2  
562  H HB2  B LEU   A 34  ? 0.096 0.096 0.096 0.000  0.000  0.000  74  LEU   A HB2  
563  H HB3  A LEU   A 34  ? 0.118 0.118 0.118 0.000  0.000  0.000  74  LEU   A HB3  
564  H HB3  B LEU   A 34  ? 0.096 0.096 0.096 0.000  0.000  0.000  74  LEU   A HB3  
565  H HG   A LEU   A 34  ? 0.130 0.130 0.130 0.000  0.000  0.000  74  LEU   A HG   
566  H HG   B LEU   A 34  ? 0.096 0.096 0.096 0.000  0.000  0.000  74  LEU   A HG   
567  H HD11 A LEU   A 34  ? 0.127 0.127 0.127 0.000  0.000  0.000  74  LEU   A HD11 
568  H HD11 B LEU   A 34  ? 0.100 0.100 0.100 0.000  0.000  0.000  74  LEU   A HD11 
569  H HD12 A LEU   A 34  ? 0.127 0.127 0.127 0.000  0.000  0.000  74  LEU   A HD12 
570  H HD12 B LEU   A 34  ? 0.100 0.100 0.100 0.000  0.000  0.000  74  LEU   A HD12 
571  H HD13 A LEU   A 34  ? 0.127 0.127 0.127 0.000  0.000  0.000  74  LEU   A HD13 
572  H HD13 B LEU   A 34  ? 0.100 0.100 0.100 0.000  0.000  0.000  74  LEU   A HD13 
573  H HD21 A LEU   A 34  ? 0.134 0.134 0.134 0.000  0.000  0.000  74  LEU   A HD21 
574  H HD21 B LEU   A 34  ? 0.115 0.115 0.115 0.000  0.000  0.000  74  LEU   A HD21 
575  H HD22 A LEU   A 34  ? 0.134 0.134 0.134 0.000  0.000  0.000  74  LEU   A HD22 
576  H HD22 B LEU   A 34  ? 0.115 0.115 0.115 0.000  0.000  0.000  74  LEU   A HD22 
577  H HD23 A LEU   A 34  ? 0.134 0.134 0.134 0.000  0.000  0.000  74  LEU   A HD23 
578  H HD23 B LEU   A 34  ? 0.115 0.115 0.115 0.000  0.000  0.000  74  LEU   A HD23 
579  N N    . TRP   A 35  ? 0.108 0.116 0.107 0.010  0.018  0.001  75  TRP   A N    
580  C CA   . TRP   A 35  ? 0.113 0.106 0.117 0.002  0.019  0.000  75  TRP   A CA   
581  C C    . TRP   A 35  ? 0.127 0.113 0.127 0.001  0.031  -0.005 75  TRP   A C    
582  O O    . TRP   A 35  ? 0.129 0.125 0.141 -0.009 0.034  0.004  75  TRP   A O    
583  C CB   . TRP   A 35  ? 0.123 0.118 0.125 0.001  0.013  -0.003 75  TRP   A CB   
584  C CG   . TRP   A 35  ? 0.123 0.115 0.120 -0.004 0.008  -0.012 75  TRP   A CG   
585  C CD1  . TRP   A 35  ? 0.166 0.101 0.157 -0.006 0.014  0.000  75  TRP   A CD1  
586  C CD2  . TRP   A 35  ? 0.117 0.104 0.120 -0.005 0.018  -0.004 75  TRP   A CD2  
587  N NE1  . TRP   A 35  ? 0.170 0.107 0.151 -0.013 0.014  -0.004 75  TRP   A NE1  
588  C CE2  . TRP   A 35  ? 0.132 0.109 0.142 -0.010 0.010  -0.008 75  TRP   A CE2  
589  C CE3  . TRP   A 35  ? 0.119 0.101 0.119 -0.004 0.023  -0.001 75  TRP   A CE3  
590  C CZ2  . TRP   A 35  ? 0.124 0.136 0.141 -0.018 0.021  -0.003 75  TRP   A CZ2  
591  C CZ3  . TRP   A 35  ? 0.147 0.121 0.119 -0.007 0.021  -0.002 75  TRP   A CZ3  
592  C CH2  . TRP   A 35  ? 0.135 0.123 0.137 0.006  0.010  -0.010 75  TRP   A CH2  
593  H H    . TRP   A 35  ? 0.110 0.110 0.110 0.000  0.000  0.000  75  TRP   A H    
594  H HA   . TRP   A 35  ? 0.112 0.112 0.112 0.000  0.000  0.000  75  TRP   A HA   
595  H HB2  . TRP   A 35  ? 0.122 0.122 0.122 0.000  0.000  0.000  75  TRP   A HB2  
596  H HB3  . TRP   A 35  ? 0.122 0.122 0.122 0.000  0.000  0.000  75  TRP   A HB3  
597  H HD1  . TRP   A 35  ? 0.141 0.141 0.141 0.000  0.000  0.000  75  TRP   A HD1  
598  H HE1  . TRP   A 35  ? 0.143 0.143 0.143 0.000  0.000  0.000  75  TRP   A HE1  
599  H HE3  . TRP   A 35  ? 0.113 0.113 0.113 0.000  0.000  0.000  75  TRP   A HE3  
600  H HZ2  . TRP   A 35  ? 0.134 0.134 0.134 0.000  0.000  0.000  75  TRP   A HZ2  
601  H HZ3  . TRP   A 35  ? 0.129 0.129 0.129 0.000  0.000  0.000  75  TRP   A HZ3  
602  H HH2  . TRP   A 35  ? 0.132 0.132 0.132 0.000  0.000  0.000  75  TRP   A HH2  
603  N N    . LYS   A 36  ? 0.134 0.102 0.137 0.006  0.037  -0.001 76  LYS   A N    
604  C CA   . LYS   A 36  ? 0.168 0.111 0.143 -0.005 0.037  0.011  76  LYS   A CA   
605  C C    . LYS   A 36  ? 0.159 0.109 0.126 0.009  0.024  0.034  76  LYS   A C    
606  O O    . LYS   A 36  ? 0.177 0.124 0.141 -0.004 0.038  0.030  76  LYS   A O    
607  C CB   . LYS   A 36  ? 0.229 0.097 0.163 0.011  0.042  0.008  76  LYS   A CB   
608  C CG   . LYS   A 36  ? 0.221 0.162 0.206 0.034  0.039  0.049  76  LYS   A CG   
609  C CD   . LYS   A 36  ? 0.297 0.241 0.275 0.104  0.052  0.084  76  LYS   A CD   
610  C CE   . LYS   A 36  ? 0.333 0.401 0.378 0.078  0.028  0.091  76  LYS   A CE   
611  N NZ   . LYS   A 36  ? 0.493 0.470 0.502 0.102  0.050  0.079  76  LYS   A NZ   
612  H H    . LYS   A 36  ? 0.124 0.124 0.124 0.000  0.000  0.000  76  LYS   A H    
613  H HA   . LYS   A 36  ? 0.141 0.141 0.141 0.000  0.000  0.000  76  LYS   A HA   
614  H HB2  . LYS   A 36  ? 0.163 0.163 0.163 0.000  0.000  0.000  76  LYS   A HB2  
615  H HB3  . LYS   A 36  ? 0.163 0.163 0.163 0.000  0.000  0.000  76  LYS   A HB3  
616  H HG2  . LYS   A 36  ? 0.196 0.196 0.196 0.000  0.000  0.000  76  LYS   A HG2  
617  H HG3  . LYS   A 36  ? 0.196 0.196 0.196 0.000  0.000  0.000  76  LYS   A HG3  
618  H HD2  . LYS   A 36  ? 0.271 0.271 0.271 0.000  0.000  0.000  76  LYS   A HD2  
619  H HD3  . LYS   A 36  ? 0.271 0.271 0.271 0.000  0.000  0.000  76  LYS   A HD3  
620  H HE2  . LYS   A 36  ? 0.371 0.371 0.371 0.000  0.000  0.000  76  LYS   A HE2  
621  H HE3  . LYS   A 36  ? 0.371 0.371 0.371 0.000  0.000  0.000  76  LYS   A HE3  
622  H HZ1  . LYS   A 36  ? 0.488 0.488 0.488 0.000  0.000  0.000  76  LYS   A HZ1  
623  H HZ2  . LYS   A 36  ? 0.488 0.488 0.488 0.000  0.000  0.000  76  LYS   A HZ2  
624  H HZ3  . LYS   A 36  ? 0.488 0.488 0.488 0.000  0.000  0.000  76  LYS   A HZ3  
625  N N    . HIS   A 37  ? 0.137 0.107 0.119 0.011  0.024  0.023  77  HIS   A N    
626  C CA   . HIS   A 37  ? 0.135 0.117 0.113 0.007  0.013  0.025  77  HIS   A CA   
627  C C    . HIS   A 37  ? 0.128 0.108 0.114 0.000  0.012  0.009  77  HIS   A C    
628  O O    . HIS   A 37  ? 0.132 0.120 0.110 0.010  0.007  0.013  77  HIS   A O    
629  C CB   . HIS   A 37  ? 0.133 0.130 0.124 -0.002 0.012  0.017  77  HIS   A CB   
630  C CG   . HIS   A 37  ? 0.120 0.136 0.134 -0.003 0.006  0.014  77  HIS   A CG   
631  N ND1  . HIS   A 37  ? 0.166 0.189 0.174 -0.003 -0.014 -0.012 77  HIS   A ND1  
632  C CD2  . HIS   A 37  ? 0.099 0.125 0.120 0.002  -0.003 0.017  77  HIS   A CD2  
633  C CE1  . HIS   A 37  ? 0.107 0.158 0.156 -0.003 -0.010 -0.017 77  HIS   A CE1  
634  N NE2  . HIS   A 37  ? 0.159 0.162 0.175 -0.006 -0.009 0.005  77  HIS   A NE2  
635  H H    . HIS   A 37  ? 0.121 0.121 0.121 0.000  0.000  0.000  77  HIS   A H    
636  H HA   . HIS   A 37  ? 0.122 0.122 0.122 0.000  0.000  0.000  77  HIS   A HA   
637  H HB2  . HIS   A 37  ? 0.129 0.129 0.129 0.000  0.000  0.000  77  HIS   A HB2  
638  H HB3  . HIS   A 37  ? 0.129 0.129 0.129 0.000  0.000  0.000  77  HIS   A HB3  
639  H HD1  . HIS   A 37  ? 0.176 0.176 0.176 0.000  0.000  0.000  77  HIS   A HD1  
640  H HD2  . HIS   A 37  ? 0.115 0.115 0.115 0.000  0.000  0.000  77  HIS   A HD2  
641  H HE1  . HIS   A 37  ? 0.140 0.140 0.140 0.000  0.000  0.000  77  HIS   A HE1  
642  H HE2  . HIS   A 37  ? 0.165 0.165 0.165 0.000  0.000  0.000  77  HIS   A HE2  
643  N N    . GLN   A 38  ? 0.129 0.116 0.109 0.015  0.016  0.020  78  GLN   A N    
644  C CA   . GLN   A 38  ? 0.144 0.122 0.125 0.010  0.030  0.026  78  GLN   A CA   
645  C C    . GLN   A 38  ? 0.134 0.119 0.106 0.002  0.017  0.014  78  GLN   A C    
646  O O    . GLN   A 38  ? 0.132 0.136 0.152 -0.001 0.030  0.030  78  GLN   A O    
647  C CB   . GLN   A 38  ? 0.166 0.168 0.116 0.029  0.028  0.032  78  GLN   A CB   
648  C CG   . GLN   A 38  ? 0.246 0.206 0.143 0.026  -0.001 0.004  78  GLN   A CG   
649  C CD   . GLN   A 38  ? 0.310 0.408 0.235 0.005  -0.116 0.074  78  GLN   A CD   
650  O OE1  . GLN   A 38  ? 0.458 0.604 0.373 -0.072 0.014  0.149  78  GLN   A OE1  
651  N NE2  . GLN   A 38  ? 0.583 0.367 0.324 -0.094 -0.169 0.044  78  GLN   A NE2  
652  H H    . GLN   A 38  ? 0.118 0.118 0.118 0.000  0.000  0.000  78  GLN   A H    
653  H HA   . GLN   A 38  ? 0.130 0.130 0.130 0.000  0.000  0.000  78  GLN   A HA   
654  H HB2  . GLN   A 38  ? 0.150 0.150 0.150 0.000  0.000  0.000  78  GLN   A HB2  
655  H HB3  . GLN   A 38  ? 0.150 0.150 0.150 0.000  0.000  0.000  78  GLN   A HB3  
656  H HG2  . GLN   A 38  ? 0.198 0.198 0.198 0.000  0.000  0.000  78  GLN   A HG2  
657  H HG3  . GLN   A 38  ? 0.198 0.198 0.198 0.000  0.000  0.000  78  GLN   A HG3  
658  H HE21 . GLN   A 38  ? 0.425 0.425 0.425 0.000  0.000  0.000  78  GLN   A HE21 
659  H HE22 . GLN   A 38  ? 0.425 0.425 0.425 0.000  0.000  0.000  78  GLN   A HE22 
660  N N    . PHE   A 39  ? 0.117 0.116 0.104 -0.002 0.010  0.019  79  PHE   A N    
661  C CA   . PHE   A 39  ? 0.132 0.101 0.115 0.004  0.012  0.010  79  PHE   A CA   
662  C C    . PHE   A 39  ? 0.113 0.104 0.112 -0.001 0.011  0.016  79  PHE   A C    
663  O O    . PHE   A 39  ? 0.120 0.110 0.119 0.001  0.009  0.021  79  PHE   A O    
664  C CB   . PHE   A 39  ? 0.140 0.107 0.134 0.001  0.008  0.017  79  PHE   A CB   
665  C CG   . PHE   A 39  ? 0.156 0.126 0.144 0.022  -0.009 -0.003 79  PHE   A CG   
666  C CD1  . PHE   A 39  ? 0.192 0.130 0.130 0.007  -0.011 -0.007 79  PHE   A CD1  
667  C CD2  . PHE   A 39  ? 0.168 0.154 0.171 0.002  -0.032 -0.012 79  PHE   A CD2  
668  C CE1  . PHE   A 39  ? 0.271 0.188 0.136 -0.005 -0.010 0.003  79  PHE   A CE1  
669  C CE2  . PHE   A 39  ? 0.224 0.198 0.192 0.006  -0.049 -0.050 79  PHE   A CE2  
670  C CZ   . PHE   A 39  ? 0.284 0.204 0.130 0.008  -0.036 -0.045 79  PHE   A CZ   
671  H H    . PHE   A 39  ? 0.112 0.112 0.112 0.000  0.000  0.000  79  PHE   A H    
672  H HA   . PHE   A 39  ? 0.116 0.116 0.116 0.000  0.000  0.000  79  PHE   A HA   
673  H HB2  . PHE   A 39  ? 0.127 0.127 0.127 0.000  0.000  0.000  79  PHE   A HB2  
674  H HB3  . PHE   A 39  ? 0.127 0.127 0.127 0.000  0.000  0.000  79  PHE   A HB3  
675  H HD1  . PHE   A 39  ? 0.151 0.151 0.151 0.000  0.000  0.000  79  PHE   A HD1  
676  H HD2  . PHE   A 39  ? 0.164 0.164 0.164 0.000  0.000  0.000  79  PHE   A HD2  
677  H HE1  . PHE   A 39  ? 0.198 0.198 0.198 0.000  0.000  0.000  79  PHE   A HE1  
678  H HE2  . PHE   A 39  ? 0.205 0.205 0.205 0.000  0.000  0.000  79  PHE   A HE2  
679  H HZ   . PHE   A 39  ? 0.206 0.206 0.206 0.000  0.000  0.000  79  PHE   A HZ   
680  N N    . ALA   A 40  ? 0.115 0.107 0.102 0.003  0.016  0.009  80  ALA   A N    
681  C CA   . ALA   A 40  ? 0.107 0.101 0.106 0.004  0.019  0.012  80  ALA   A CA   
682  C C    . ALA   A 40  ? 0.105 0.092 0.096 -0.007 0.010  0.010  80  ALA   A C    
683  O O    . ALA   A 40  ? 0.100 0.104 0.092 0.003  0.017  0.006  80  ALA   A O    
684  C CB   . ALA   A 40  ? 0.110 0.131 0.113 0.021  0.020  0.012  80  ALA   A CB   
685  H H    . ALA   A 40  ? 0.108 0.108 0.108 0.000  0.000  0.000  80  ALA   A H    
686  H HA   . ALA   A 40  ? 0.105 0.105 0.105 0.000  0.000  0.000  80  ALA   A HA   
687  H HB1  . ALA   A 40  ? 0.118 0.118 0.118 0.000  0.000  0.000  80  ALA   A HB1  
688  H HB2  . ALA   A 40  ? 0.118 0.118 0.118 0.000  0.000  0.000  80  ALA   A HB2  
689  H HB3  . ALA   A 40  ? 0.118 0.118 0.118 0.000  0.000  0.000  80  ALA   A HB3  
690  N N    . TRP   A 41  ? 0.112 0.099 0.103 0.002  0.020  0.019  81  TRP   A N    
691  C CA   . TRP   A 41  ? 0.114 0.100 0.120 0.000  0.027  0.004  81  TRP   A CA   
692  C C    . TRP   A 41  ? 0.099 0.104 0.121 -0.014 0.026  0.000  81  TRP   A C    
693  O O    . TRP   A 41  ? 0.106 0.109 0.129 -0.009 0.009  -0.002 81  TRP   A O    
694  C CB   . TRP   A 41  ? 0.132 0.115 0.139 -0.015 0.035  0.009  81  TRP   A CB   
695  C CG   . TRP   A 41  ? 0.117 0.119 0.144 -0.013 0.030  0.027  81  TRP   A CG   
696  C CD1  . TRP   A 41  ? 0.141 0.138 0.141 -0.022 0.027  0.032  81  TRP   A CD1  
697  C CD2  . TRP   A 41  ? 0.156 0.110 0.162 -0.019 0.039  0.043  81  TRP   A CD2  
698  N NE1  . TRP   A 41  ? 0.166 0.160 0.141 -0.036 0.034  0.022  81  TRP   A NE1  
699  C CE2  . TRP   A 41  ? 0.203 0.156 0.145 -0.032 0.056  0.010  81  TRP   A CE2  
700  C CE3  . TRP   A 41  ? 0.136 0.136 0.199 0.002  0.031  0.049  81  TRP   A CE3  
701  C CZ2  . TRP   A 41  ? 0.212 0.148 0.154 -0.025 0.060  -0.002 81  TRP   A CZ2  
702  C CZ3  . TRP   A 41  ? 0.182 0.155 0.218 0.003  0.046  0.044  81  TRP   A CZ3  
703  C CH2  . TRP   A 41  ? 0.206 0.186 0.237 0.002  0.080  0.019  81  TRP   A CH2  
704  H H    . TRP   A 41  ? 0.105 0.105 0.105 0.000  0.000  0.000  81  TRP   A H    
705  H HA   . TRP   A 41  ? 0.111 0.111 0.111 0.000  0.000  0.000  81  TRP   A HA   
706  H HB2  . TRP   A 41  ? 0.129 0.129 0.129 0.000  0.000  0.000  81  TRP   A HB2  
707  H HB3  . TRP   A 41  ? 0.129 0.129 0.129 0.000  0.000  0.000  81  TRP   A HB3  
708  H HD1  . TRP   A 41  ? 0.140 0.140 0.140 0.000  0.000  0.000  81  TRP   A HD1  
709  H HE1  . TRP   A 41  ? 0.156 0.156 0.156 0.000  0.000  0.000  81  TRP   A HE1  
710  H HE3  . TRP   A 41  ? 0.157 0.157 0.157 0.000  0.000  0.000  81  TRP   A HE3  
711  H HZ2  . TRP   A 41  ? 0.171 0.171 0.171 0.000  0.000  0.000  81  TRP   A HZ2  
712  H HZ3  . TRP   A 41  ? 0.185 0.185 0.185 0.000  0.000  0.000  81  TRP   A HZ3  
713  H HH2  . TRP   A 41  ? 0.210 0.210 0.210 0.000  0.000  0.000  81  TRP   A HH2  
714  N N    . PRO   A 42  ? 0.091 0.098 0.102 0.001  0.022  0.003  82  PRO   A N    
715  C CA   . PRO   A 42  ? 0.092 0.103 0.102 0.009  0.012  0.001  82  PRO   A CA   
716  C C    . PRO   A 42  ? 0.095 0.093 0.097 -0.001 0.012  -0.002 82  PRO   A C    
717  O O    . PRO   A 42  ? 0.109 0.111 0.107 0.013  0.014  0.006  82  PRO   A O    
718  C CB   . PRO   A 42  ? 0.107 0.108 0.111 0.001  0.022  -0.003 82  PRO   A CB   
719  C CG   . PRO   A 42  ? 0.120 0.109 0.094 -0.001 0.014  -0.005 82  PRO   A CG   
720  C CD   . PRO   A 42  ? 0.098 0.102 0.105 0.000  0.020  0.005  82  PRO   A CD   
721  H HA   . PRO   A 42  ? 0.099 0.099 0.099 0.000  0.000  0.000  82  PRO   A HA   
722  H HB2  . PRO   A 42  ? 0.109 0.109 0.109 0.000  0.000  0.000  82  PRO   A HB2  
723  H HB3  . PRO   A 42  ? 0.109 0.109 0.109 0.000  0.000  0.000  82  PRO   A HB3  
724  H HG2  . PRO   A 42  ? 0.108 0.108 0.108 0.000  0.000  0.000  82  PRO   A HG2  
725  H HG3  . PRO   A 42  ? 0.108 0.108 0.108 0.000  0.000  0.000  82  PRO   A HG3  
726  H HD2  . PRO   A 42  ? 0.102 0.102 0.102 0.000  0.000  0.000  82  PRO   A HD2  
727  H HD3  . PRO   A 42  ? 0.102 0.102 0.102 0.000  0.000  0.000  82  PRO   A HD3  
728  N N    . PHE   A 43  ? 0.092 0.090 0.095 -0.006 0.016  0.005  83  PHE   A N    
729  C CA   . PHE   A 43  ? 0.095 0.095 0.091 -0.002 0.020  0.000  83  PHE   A CA   
730  C C    . PHE   A 43  ? 0.100 0.103 0.091 -0.007 0.006  0.004  83  PHE   A C    
731  O O    . PHE   A 43  ? 0.122 0.107 0.101 -0.017 0.029  -0.006 83  PHE   A O    
732  C CB   . PHE   A 43  ? 0.100 0.084 0.094 -0.005 0.013  0.010  83  PHE   A CB   
733  C CG   . PHE   A 43  ? 0.091 0.097 0.102 0.001  0.008  0.002  83  PHE   A CG   
734  C CD1  . PHE   A 43  ? 0.110 0.098 0.103 -0.008 0.003  0.000  83  PHE   A CD1  
735  C CD2  . PHE   A 43  ? 0.102 0.100 0.100 -0.004 0.004  0.004  83  PHE   A CD2  
736  C CE1  . PHE   A 43  ? 0.116 0.093 0.139 -0.001 0.004  -0.011 83  PHE   A CE1  
737  C CE2  . PHE   A 43  ? 0.118 0.131 0.092 -0.005 0.003  -0.003 83  PHE   A CE2  
738  C CZ   . PHE   A 43  ? 0.120 0.111 0.119 0.003  -0.001 -0.029 83  PHE   A CZ   
739  H H    . PHE   A 43  ? 0.092 0.092 0.092 0.000  0.000  0.000  83  PHE   A H    
740  H HA   . PHE   A 43  ? 0.094 0.094 0.094 0.000  0.000  0.000  83  PHE   A HA   
741  H HB2  . PHE   A 43  ? 0.093 0.093 0.093 0.000  0.000  0.000  83  PHE   A HB2  
742  H HB3  . PHE   A 43  ? 0.093 0.093 0.093 0.000  0.000  0.000  83  PHE   A HB3  
743  H HD1  . PHE   A 43  ? 0.104 0.104 0.104 0.000  0.000  0.000  83  PHE   A HD1  
744  H HD2  . PHE   A 43  ? 0.101 0.101 0.101 0.000  0.000  0.000  83  PHE   A HD2  
745  H HE1  . PHE   A 43  ? 0.116 0.116 0.116 0.000  0.000  0.000  83  PHE   A HE1  
746  H HE2  . PHE   A 43  ? 0.114 0.114 0.114 0.000  0.000  0.000  83  PHE   A HE2  
747  H HZ   . PHE   A 43  ? 0.117 0.117 0.117 0.000  0.000  0.000  83  PHE   A HZ   
748  N N    . GLN   A 44  ? 0.096 0.088 0.099 -0.008 0.015  -0.003 84  GLN   A N    
749  C CA   . GLN   A 44  ? 0.096 0.091 0.111 -0.003 0.011  -0.010 84  GLN   A CA   
750  C C    . GLN   A 44  ? 0.097 0.094 0.118 -0.010 0.014  -0.012 84  GLN   A C    
751  O O    . GLN   A 44  ? 0.110 0.108 0.119 0.002  -0.003 -0.023 84  GLN   A O    
752  C CB   . GLN   A 44  ? 0.101 0.095 0.120 -0.012 0.022  -0.001 84  GLN   A CB   
753  C CG   . GLN   A 44  ? 0.113 0.093 0.114 -0.007 0.025  -0.003 84  GLN   A CG   
754  C CD   . GLN   A 44  ? 0.132 0.099 0.125 -0.008 0.032  -0.003 84  GLN   A CD   
755  O OE1  . GLN   A 44  ? 0.145 0.118 0.200 -0.002 0.042  0.026  84  GLN   A OE1  
756  N NE2  . GLN   A 44  ? 0.146 0.109 0.125 -0.013 0.011  0.013  84  GLN   A NE2  
757  H H    . GLN   A 44  ? 0.094 0.094 0.094 0.000  0.000  0.000  84  GLN   A H    
758  H HA   . GLN   A 44  ? 0.099 0.099 0.099 0.000  0.000  0.000  84  GLN   A HA   
759  H HB2  . GLN   A 44  ? 0.105 0.105 0.105 0.000  0.000  0.000  84  GLN   A HB2  
760  H HB3  . GLN   A 44  ? 0.105 0.105 0.105 0.000  0.000  0.000  84  GLN   A HB3  
761  H HG2  . GLN   A 44  ? 0.107 0.107 0.107 0.000  0.000  0.000  84  GLN   A HG2  
762  H HG3  . GLN   A 44  ? 0.107 0.107 0.107 0.000  0.000  0.000  84  GLN   A HG3  
763  H HE21 . GLN   A 44  ? 0.127 0.127 0.127 0.000  0.000  0.000  84  GLN   A HE21 
764  H HE22 . GLN   A 44  ? 0.127 0.127 0.127 0.000  0.000  0.000  84  GLN   A HE22 
765  N N    . GLN   A 45  ? 0.104 0.098 0.119 -0.001 0.000  -0.002 85  GLN   A N    
766  C CA   . GLN   A 45  ? 0.108 0.104 0.128 -0.004 -0.012 -0.012 85  GLN   A CA   
767  C C    . GLN   A 45  ? 0.091 0.112 0.101 0.001  -0.004 -0.011 85  GLN   A C    
768  O O    . GLN   A 45  ? 0.105 0.099 0.116 0.004  0.001  -0.009 85  GLN   A O    
769  C CB   . GLN   A 45  ? 0.103 0.126 0.133 -0.007 -0.019 0.000  85  GLN   A CB   
770  C CG   . GLN   A 45  ? 0.099 0.142 0.172 -0.012 0.010  0.001  85  GLN   A CG   
771  C CD   . GLN   A 45  ? 0.098 0.140 0.169 0.006  0.016  0.007  85  GLN   A CD   
772  O OE1  . GLN   A 45  ? 0.122 0.153 0.191 -0.005 0.004  0.020  85  GLN   A OE1  
773  N NE2  . GLN   A 45  ? 0.128 0.158 0.127 0.023  0.019  0.009  85  GLN   A NE2  
774  H H    . GLN   A 45  ? 0.107 0.107 0.107 0.000  0.000  0.000  85  GLN   A H    
775  H HA   . GLN   A 45  ? 0.113 0.113 0.113 0.000  0.000  0.000  85  GLN   A HA   
776  H HB2  . GLN   A 45  ? 0.121 0.121 0.121 0.000  0.000  0.000  85  GLN   A HB2  
777  H HB3  . GLN   A 45  ? 0.121 0.121 0.121 0.000  0.000  0.000  85  GLN   A HB3  
778  H HG2  . GLN   A 45  ? 0.138 0.138 0.138 0.000  0.000  0.000  85  GLN   A HG2  
779  H HG3  . GLN   A 45  ? 0.138 0.138 0.138 0.000  0.000  0.000  85  GLN   A HG3  
780  H HE21 . GLN   A 45  ? 0.138 0.138 0.138 0.000  0.000  0.000  85  GLN   A HE21 
781  H HE22 . GLN   A 45  ? 0.138 0.138 0.138 0.000  0.000  0.000  85  GLN   A HE22 
782  N N    . PRO   A 46  ? 0.109 0.112 0.117 0.003  -0.009 -0.009 86  PRO   A N    
783  C CA   . PRO   A 46  ? 0.111 0.108 0.122 -0.003 0.001  0.004  86  PRO   A CA   
784  C C    . PRO   A 46  ? 0.091 0.107 0.136 0.008  0.002  0.007  86  PRO   A C    
785  O O    . PRO   A 46  ? 0.092 0.128 0.149 -0.001 0.014  0.011  86  PRO   A O    
786  C CB   . PRO   A 46  ? 0.105 0.155 0.134 0.002  -0.001 0.017  86  PRO   A CB   
787  C CG   . PRO   A 46  ? 0.117 0.152 0.126 -0.005 -0.019 -0.003 86  PRO   A CG   
788  C CD   . PRO   A 46  ? 0.113 0.139 0.137 0.003  -0.014 -0.011 86  PRO   A CD   
789  H HA   . PRO   A 46  ? 0.114 0.114 0.114 0.000  0.000  0.000  86  PRO   A HA   
790  H HB2  . PRO   A 46  ? 0.131 0.131 0.131 0.000  0.000  0.000  86  PRO   A HB2  
791  H HB3  . PRO   A 46  ? 0.131 0.131 0.131 0.000  0.000  0.000  86  PRO   A HB3  
792  H HG2  . PRO   A 46  ? 0.132 0.132 0.132 0.000  0.000  0.000  86  PRO   A HG2  
793  H HG3  . PRO   A 46  ? 0.132 0.132 0.132 0.000  0.000  0.000  86  PRO   A HG3  
794  H HD2  . PRO   A 46  ? 0.130 0.130 0.130 0.000  0.000  0.000  86  PRO   A HD2  
795  H HD3  . PRO   A 46  ? 0.130 0.130 0.130 0.000  0.000  0.000  86  PRO   A HD3  
796  N N    . VAL   A 47  ? 0.094 0.103 0.150 0.004  0.009  0.003  87  VAL   A N    
797  C CA   . VAL   A 47  ? 0.109 0.110 0.138 0.019  0.015  0.010  87  VAL   A CA   
798  C C    . VAL   A 47  ? 0.106 0.111 0.163 -0.002 0.023  -0.001 87  VAL   A C    
799  O O    . VAL   A 47  ? 0.101 0.136 0.156 0.005  0.007  0.010  87  VAL   A O    
800  C CB   . VAL   A 47  ? 0.107 0.116 0.147 0.005  0.014  0.003  87  VAL   A CB   
801  C CG1  . VAL   A 47  ? 0.136 0.130 0.190 0.014  0.022  -0.003 87  VAL   A CG1  
802  C CG2  . VAL   A 47  ? 0.129 0.128 0.148 0.005  0.003  0.000  87  VAL   A CG2  
803  H H    . VAL   A 47  ? 0.116 0.116 0.116 0.000  0.000  0.000  87  VAL   A H    
804  H HA   . VAL   A 47  ? 0.119 0.119 0.119 0.000  0.000  0.000  87  VAL   A HA   
805  H HB   . VAL   A 47  ? 0.123 0.123 0.123 0.000  0.000  0.000  87  VAL   A HB   
806  H HG11 . VAL   A 47  ? 0.152 0.152 0.152 0.000  0.000  0.000  87  VAL   A HG11 
807  H HG12 . VAL   A 47  ? 0.152 0.152 0.152 0.000  0.000  0.000  87  VAL   A HG12 
808  H HG13 . VAL   A 47  ? 0.152 0.152 0.152 0.000  0.000  0.000  87  VAL   A HG13 
809  H HG21 . VAL   A 47  ? 0.135 0.135 0.135 0.000  0.000  0.000  87  VAL   A HG21 
810  H HG22 . VAL   A 47  ? 0.135 0.135 0.135 0.000  0.000  0.000  87  VAL   A HG22 
811  H HG23 . VAL   A 47  ? 0.135 0.135 0.135 0.000  0.000  0.000  87  VAL   A HG23 
812  N N    . ASP   A 48  ? 0.091 0.138 0.164 0.006  0.017  0.010  88  ASP   A N    
813  C CA   . ASP   A 48  ? 0.100 0.131 0.191 0.000  0.015  0.000  88  ASP   A CA   
814  C C    . ASP   A 48  ? 0.100 0.137 0.195 0.014  0.021  0.005  88  ASP   A C    
815  O O    . ASP   A 48  ? 0.110 0.155 0.211 0.001  0.040  0.005  88  ASP   A O    
816  C CB   . ASP   A 48  ? 0.113 0.140 0.224 0.002  0.033  0.002  88  ASP   A CB   
817  C CG   . ASP   A 48  ? 0.126 0.149 0.223 -0.020 0.038  -0.016 88  ASP   A CG   
818  O OD1  . ASP   A 48  ? 0.112 0.185 0.221 -0.019 0.012  0.000  88  ASP   A OD1  
819  O OD2  . ASP   A 48  ? 0.138 0.198 0.326 -0.027 0.033  -0.019 88  ASP   A OD2  
820  H H    . ASP   A 48  ? 0.131 0.131 0.131 0.000  0.000  0.000  88  ASP   A H    
821  H HA   . ASP   A 48  ? 0.141 0.141 0.141 0.000  0.000  0.000  88  ASP   A HA   
822  H HB2  . ASP   A 48  ? 0.159 0.159 0.159 0.000  0.000  0.000  88  ASP   A HB2  
823  H HB3  . ASP   A 48  ? 0.159 0.159 0.159 0.000  0.000  0.000  88  ASP   A HB3  
824  N N    . ALA   A 49  ? 0.114 0.121 0.182 0.016  0.023  -0.002 89  ALA   A N    
825  C CA   . ALA   A 49  ? 0.103 0.148 0.171 0.021  0.004  -0.012 89  ALA   A CA   
826  C C    . ALA   A 49  ? 0.112 0.130 0.208 0.018  0.016  -0.010 89  ALA   A C    
827  O O    . ALA   A 49  ? 0.105 0.179 0.232 0.012  0.019  -0.045 89  ALA   A O    
828  C CB   . ALA   A 49  ? 0.133 0.135 0.191 0.007  0.011  -0.002 89  ALA   A CB   
829  H H    . ALA   A 49  ? 0.139 0.139 0.139 0.000  0.000  0.000  89  ALA   A H    
830  H HA   . ALA   A 49  ? 0.141 0.141 0.141 0.000  0.000  0.000  89  ALA   A HA   
831  H HB1  . ALA   A 49  ? 0.153 0.153 0.153 0.000  0.000  0.000  89  ALA   A HB1  
832  H HB2  . ALA   A 49  ? 0.153 0.153 0.153 0.000  0.000  0.000  89  ALA   A HB2  
833  H HB3  . ALA   A 49  ? 0.153 0.153 0.153 0.000  0.000  0.000  89  ALA   A HB3  
834  N N    . VAL   A 50  ? 0.100 0.171 0.200 0.030  -0.005 -0.022 90  VAL   A N    
835  C CA   . VAL   A 50  ? 0.111 0.165 0.215 0.024  0.012  -0.023 90  VAL   A CA   
836  C C    . VAL   A 50  ? 0.115 0.182 0.233 -0.008 0.018  -0.027 90  VAL   A C    
837  O O    . VAL   A 50  ? 0.114 0.215 0.264 0.014  0.026  -0.031 90  VAL   A O    
838  C CB   . VAL   A 50  ? 0.111 0.228 0.228 -0.011 -0.011 -0.017 90  VAL   A CB   
839  C CG1  . VAL   A 50  ? 0.143 0.264 0.227 -0.063 -0.021 -0.001 90  VAL   A CG1  
840  C CG2  . VAL   A 50  ? 0.130 0.224 0.216 -0.010 -0.011 -0.021 90  VAL   A CG2  
841  H H    . VAL   A 50  ? 0.157 0.157 0.157 0.000  0.000  0.000  90  VAL   A H    
842  H HA   . VAL   A 50  ? 0.164 0.164 0.164 0.000  0.000  0.000  90  VAL   A HA   
843  H HB   . VAL   A 50  ? 0.189 0.189 0.189 0.000  0.000  0.000  90  VAL   A HB   
844  H HG11 . VAL   A 50  ? 0.211 0.211 0.211 0.000  0.000  0.000  90  VAL   A HG11 
845  H HG12 . VAL   A 50  ? 0.211 0.211 0.211 0.000  0.000  0.000  90  VAL   A HG12 
846  H HG13 . VAL   A 50  ? 0.211 0.211 0.211 0.000  0.000  0.000  90  VAL   A HG13 
847  H HG21 . VAL   A 50  ? 0.190 0.190 0.190 0.000  0.000  0.000  90  VAL   A HG21 
848  H HG22 . VAL   A 50  ? 0.190 0.190 0.190 0.000  0.000  0.000  90  VAL   A HG22 
849  H HG23 . VAL   A 50  ? 0.190 0.190 0.190 0.000  0.000  0.000  90  VAL   A HG23 
850  N N    . LYS   A 51  ? 0.103 0.186 0.223 0.008  0.008  -0.032 91  LYS   A N    
851  C CA   . LYS   A 51  ? 0.119 0.204 0.208 -0.032 0.034  -0.009 91  LYS   A CA   
852  C C    . LYS   A 51  ? 0.131 0.214 0.222 -0.048 0.048  -0.034 91  LYS   A C    
853  O O    . LYS   A 51  ? 0.172 0.277 0.227 -0.073 0.050  -0.038 91  LYS   A O    
854  C CB   . LYS   A 51  ? 0.181 0.183 0.231 -0.015 0.011  -0.041 91  LYS   A CB   
855  C CG   . LYS   A 51  ? 0.176 0.258 0.309 -0.032 -0.001 0.016  91  LYS   A CG   
856  C CD   . LYS   A 51  ? 0.271 0.271 0.420 0.048  -0.021 0.020  91  LYS   A CD   
857  C CE   . LYS   A 51  ? 0.279 0.411 0.467 0.004  0.023  0.072  91  LYS   A CE   
858  N NZ   . LYS   A 51  ? 0.246 0.408 0.550 0.045  -0.097 0.095  91  LYS   A NZ   
859  H H    . LYS   A 51  ? 0.171 0.171 0.171 0.000  0.000  0.000  91  LYS   A H    
860  H HA   . LYS   A 51  ? 0.177 0.177 0.177 0.000  0.000  0.000  91  LYS   A HA   
861  H HB2  . LYS   A 51  ? 0.198 0.198 0.198 0.000  0.000  0.000  91  LYS   A HB2  
862  H HB3  . LYS   A 51  ? 0.198 0.198 0.198 0.000  0.000  0.000  91  LYS   A HB3  
863  H HG2  . LYS   A 51  ? 0.248 0.248 0.248 0.000  0.000  0.000  91  LYS   A HG2  
864  H HG3  . LYS   A 51  ? 0.248 0.248 0.248 0.000  0.000  0.000  91  LYS   A HG3  
865  H HD2  . LYS   A 51  ? 0.321 0.321 0.321 0.000  0.000  0.000  91  LYS   A HD2  
866  H HD3  . LYS   A 51  ? 0.321 0.321 0.321 0.000  0.000  0.000  91  LYS   A HD3  
867  H HE2  . LYS   A 51  ? 0.386 0.386 0.386 0.000  0.000  0.000  91  LYS   A HE2  
868  H HE3  . LYS   A 51  ? 0.386 0.386 0.386 0.000  0.000  0.000  91  LYS   A HE3  
869  H HZ1  . LYS   A 51  ? 0.401 0.401 0.401 0.000  0.000  0.000  91  LYS   A HZ1  
870  H HZ2  . LYS   A 51  ? 0.401 0.401 0.401 0.000  0.000  0.000  91  LYS   A HZ2  
871  H HZ3  . LYS   A 51  ? 0.401 0.401 0.401 0.000  0.000  0.000  91  LYS   A HZ3  
872  N N    . LEU   A 52  ? 0.118 0.203 0.216 -0.027 0.024  -0.006 92  LEU   A N    
873  C CA   . LEU   A 52  ? 0.140 0.212 0.219 -0.051 0.048  -0.026 92  LEU   A CA   
874  C C    . LEU   A 52  ? 0.118 0.254 0.196 -0.042 0.027  -0.024 92  LEU   A C    
875  O O    . LEU   A 52  ? 0.165 0.230 0.219 -0.049 0.040  -0.045 92  LEU   A O    
876  C CB   . LEU   A 52  ? 0.135 0.226 0.186 -0.041 0.029  -0.034 92  LEU   A CB   
877  C CG   . LEU   A 52  ? 0.156 0.257 0.215 -0.018 -0.014 -0.010 92  LEU   A CG   
878  C CD1  . LEU   A 52  ? 0.150 0.252 0.279 0.024  0.006  -0.020 92  LEU   A CD1  
879  C CD2  . LEU   A 52  ? 0.255 0.274 0.251 0.009  -0.029 0.009  92  LEU   A CD2  
880  H H    . LEU   A 52  ? 0.179 0.179 0.179 0.000  0.000  0.000  92  LEU   A H    
881  H HA   . LEU   A 52  ? 0.190 0.190 0.190 0.000  0.000  0.000  92  LEU   A HA   
882  H HB2  . LEU   A 52  ? 0.182 0.182 0.182 0.000  0.000  0.000  92  LEU   A HB2  
883  H HB3  . LEU   A 52  ? 0.182 0.182 0.182 0.000  0.000  0.000  92  LEU   A HB3  
884  H HG   . LEU   A 52  ? 0.209 0.209 0.209 0.000  0.000  0.000  92  LEU   A HG   
885  H HD11 . LEU   A 52  ? 0.227 0.227 0.227 0.000  0.000  0.000  92  LEU   A HD11 
886  H HD12 . LEU   A 52  ? 0.227 0.227 0.227 0.000  0.000  0.000  92  LEU   A HD12 
887  H HD13 . LEU   A 52  ? 0.227 0.227 0.227 0.000  0.000  0.000  92  LEU   A HD13 
888  H HD21 . LEU   A 52  ? 0.260 0.260 0.260 0.000  0.000  0.000  92  LEU   A HD21 
889  H HD22 . LEU   A 52  ? 0.260 0.260 0.260 0.000  0.000  0.000  92  LEU   A HD22 
890  H HD23 . LEU   A 52  ? 0.260 0.260 0.260 0.000  0.000  0.000  92  LEU   A HD23 
891  N N    . ASN   A 53  ? 0.130 0.201 0.188 -0.026 0.048  -0.030 93  ASN   A N    
892  C CA   . ASN   A 53  ? 0.112 0.239 0.280 -0.034 0.078  -0.059 93  ASN   A CA   
893  C C    . ASN   A 53  ? 0.118 0.207 0.204 0.003  0.048  -0.042 93  ASN   A C    
894  O O    . ASN   A 53  ? 0.158 0.245 0.230 -0.003 0.065  -0.074 93  ASN   A O    
895  C CB   . ASN   A 53  ? 0.260 0.436 0.210 -0.212 0.131  -0.125 93  ASN   A CB   
896  C CG   . ASN   A 53  ? 0.909 0.425 0.367 0.484  0.130  -0.075 93  ASN   A CG   
897  O OD1  . ASN   A 53  ? 0.329 0.458 0.537 -0.179 -0.130 0.001  93  ASN   A OD1  
898  N ND2  . ASN   A 53  ? 1.009 0.716 0.470 0.282  0.435  -0.294 93  ASN   A ND2  
899  H H    . ASN   A 53  ? 0.173 0.173 0.173 0.000  0.000  0.000  93  ASN   A H    
900  H HA   . ASN   A 53  ? 0.210 0.210 0.210 0.000  0.000  0.000  93  ASN   A HA   
901  H HB2  . ASN   A 53  ? 0.302 0.302 0.302 0.000  0.000  0.000  93  ASN   A HB2  
902  H HB3  . ASN   A 53  ? 0.302 0.302 0.302 0.000  0.000  0.000  93  ASN   A HB3  
903  H HD21 . ASN   A 53  ? 0.732 0.732 0.732 0.000  0.000  0.000  93  ASN   A HD21 
904  H HD22 . ASN   A 53  ? 0.732 0.732 0.732 0.000  0.000  0.000  93  ASN   A HD22 
905  N N    . LEU   A 54  ? 0.112 0.176 0.186 0.014  0.037  -0.029 94  LEU   A N    
906  C CA   . LEU   A 54  ? 0.133 0.166 0.180 0.003  0.027  -0.037 94  LEU   A CA   
907  C C    . LEU   A 54  ? 0.123 0.162 0.206 0.026  0.026  -0.024 94  LEU   A C    
908  O O    . LEU   A 54  ? 0.148 0.166 0.189 0.027  0.026  -0.028 94  LEU   A O    
909  C CB   . LEU   A 54  ? 0.097 0.175 0.183 0.004  0.023  -0.033 94  LEU   A CB   
910  C CG   . LEU   A 54  ? 0.128 0.213 0.157 -0.004 0.011  -0.011 94  LEU   A CG   
911  C CD1  . LEU   A 54  ? 0.120 0.218 0.194 -0.003 0.021  -0.009 94  LEU   A CD1  
912  C CD2  . LEU   A 54  ? 0.129 0.222 0.191 0.002  0.010  -0.014 94  LEU   A CD2  
913  H H    . LEU   A 54  ? 0.158 0.158 0.158 0.000  0.000  0.000  94  LEU   A H    
914  H HA   . LEU   A 54  ? 0.160 0.160 0.160 0.000  0.000  0.000  94  LEU   A HA   
915  H HB2  . LEU   A 54  ? 0.152 0.152 0.152 0.000  0.000  0.000  94  LEU   A HB2  
916  H HB3  . LEU   A 54  ? 0.152 0.152 0.152 0.000  0.000  0.000  94  LEU   A HB3  
917  H HG   . LEU   A 54  ? 0.166 0.166 0.166 0.000  0.000  0.000  94  LEU   A HG   
918  H HD11 . LEU   A 54  ? 0.177 0.177 0.177 0.000  0.000  0.000  94  LEU   A HD11 
919  H HD12 . LEU   A 54  ? 0.177 0.177 0.177 0.000  0.000  0.000  94  LEU   A HD12 
920  H HD13 . LEU   A 54  ? 0.177 0.177 0.177 0.000  0.000  0.000  94  LEU   A HD13 
921  H HD21 . LEU   A 54  ? 0.181 0.181 0.181 0.000  0.000  0.000  94  LEU   A HD21 
922  H HD22 . LEU   A 54  ? 0.181 0.181 0.181 0.000  0.000  0.000  94  LEU   A HD22 
923  H HD23 . LEU   A 54  ? 0.181 0.181 0.181 0.000  0.000  0.000  94  LEU   A HD23 
924  N N    . PRO   A 55  ? 0.137 0.198 0.232 0.036  0.024  -0.013 95  PRO   A N    
925  C CA   . PRO   A 55  ? 0.164 0.214 0.225 0.060  0.021  -0.039 95  PRO   A CA   
926  C C    . PRO   A 55  ? 0.228 0.172 0.169 0.079  0.011  0.003  95  PRO   A C    
927  O O    . PRO   A 55  ? 0.211 0.215 0.215 0.082  -0.011 -0.019 95  PRO   A O    
928  C CB   . PRO   A 55  ? 0.156 0.243 0.253 0.061  0.036  0.028  95  PRO   A CB   
929  C CG   . PRO   A 55  ? 0.224 0.262 0.255 0.107  0.034  -0.029 95  PRO   A CG   
930  C CD   . PRO   A 55  ? 0.146 0.226 0.234 0.058  0.032  -0.020 95  PRO   A CD   
931  H HA   . PRO   A 55  ? 0.201 0.201 0.201 0.000  0.000  0.000  95  PRO   A HA   
932  H HB2  . PRO   A 55  ? 0.217 0.217 0.217 0.000  0.000  0.000  95  PRO   A HB2  
933  H HB3  . PRO   A 55  ? 0.217 0.217 0.217 0.000  0.000  0.000  95  PRO   A HB3  
934  H HG2  . PRO   A 55  ? 0.247 0.247 0.247 0.000  0.000  0.000  95  PRO   A HG2  
935  H HG3  . PRO   A 55  ? 0.247 0.247 0.247 0.000  0.000  0.000  95  PRO   A HG3  
936  H HD2  . PRO   A 55  ? 0.202 0.202 0.202 0.000  0.000  0.000  95  PRO   A HD2  
937  H HD3  . PRO   A 55  ? 0.202 0.202 0.202 0.000  0.000  0.000  95  PRO   A HD3  
938  N N    . ASP   A 56  ? 0.165 0.151 0.244 0.052  0.045  -0.007 96  ASP   A N    
939  C CA   . ASP   A 56  ? 0.195 0.150 0.307 0.019  0.060  -0.056 96  ASP   A CA   
940  C C    . ASP   A 56  ? 0.156 0.127 0.232 0.032  0.034  -0.023 96  ASP   A C    
941  O O    . ASP   A 56  ? 0.173 0.125 0.225 0.019  0.041  -0.018 96  ASP   A O    
942  C CB   . ASP   A 56  ? 0.432 0.486 0.420 -0.436 0.142  -0.242 96  ASP   A CB   
943  C CG   . ASP   A 56  ? 0.748 0.779 0.313 -0.163 0.149  -0.162 96  ASP   A CG   
944  O OD1  . ASP   A 56  ? 0.817 0.589 0.319 0.001  -0.115 -0.063 96  ASP   A OD1  
945  O OD2  . ASP   A 56  ? 0.621 0.614 0.869 0.029  -0.104 0.089  96  ASP   A OD2  
946  H H    . ASP   A 56  ? 0.187 0.187 0.187 0.000  0.000  0.000  96  ASP   A H    
947  H HA   . ASP   A 56  ? 0.217 0.217 0.217 0.000  0.000  0.000  96  ASP   A HA   
948  H HB2  . ASP   A 56  ? 0.446 0.446 0.446 0.000  0.000  0.000  96  ASP   A HB2  
949  H HB3  . ASP   A 56  ? 0.446 0.446 0.446 0.000  0.000  0.000  96  ASP   A HB3  
950  N N    . TYR   A 57  ? 0.140 0.125 0.202 0.032  0.026  -0.028 97  TYR   A N    
951  C CA   . TYR   A 57  ? 0.116 0.120 0.159 0.018  0.020  -0.014 97  TYR   A CA   
952  C C    . TYR   A 57  ? 0.123 0.112 0.171 0.005  0.013  -0.005 97  TYR   A C    
953  O O    . TYR   A 57  ? 0.122 0.127 0.143 0.013  0.009  0.006  97  TYR   A O    
954  C CB   . TYR   A 57  ? 0.117 0.130 0.147 0.016  0.026  0.003  97  TYR   A CB   
955  C CG   . TYR   A 57  ? 0.120 0.113 0.148 -0.002 0.026  -0.014 97  TYR   A CG   
956  C CD1  . TYR   A 57  ? 0.134 0.137 0.127 0.019  0.027  -0.007 97  TYR   A CD1  
957  C CD2  . TYR   A 57  ? 0.119 0.123 0.131 0.012  0.018  -0.012 97  TYR   A CD2  
958  C CE1  . TYR   A 57  ? 0.126 0.125 0.125 0.006  0.015  -0.014 97  TYR   A CE1  
959  C CE2  . TYR   A 57  ? 0.106 0.117 0.124 0.016  0.015  -0.004 97  TYR   A CE2  
960  C CZ   . TYR   A 57  ? 0.098 0.123 0.111 -0.003 0.012  -0.002 97  TYR   A CZ   
961  O OH   . TYR   A 57  ? 0.112 0.121 0.121 0.018  0.013  -0.008 97  TYR   A OH   
962  H H    . TYR   A 57  ? 0.156 0.156 0.156 0.000  0.000  0.000  97  TYR   A H    
963  H HA   . TYR   A 57  ? 0.132 0.132 0.132 0.000  0.000  0.000  97  TYR   A HA   
964  H HB2  . TYR   A 57  ? 0.131 0.131 0.131 0.000  0.000  0.000  97  TYR   A HB2  
965  H HB3  . TYR   A 57  ? 0.131 0.131 0.131 0.000  0.000  0.000  97  TYR   A HB3  
966  H HD1  . TYR   A 57  ? 0.133 0.133 0.133 0.000  0.000  0.000  97  TYR   A HD1  
967  H HD2  . TYR   A 57  ? 0.124 0.124 0.124 0.000  0.000  0.000  97  TYR   A HD2  
968  H HE1  . TYR   A 57  ? 0.125 0.125 0.125 0.000  0.000  0.000  97  TYR   A HE1  
969  H HE2  . TYR   A 57  ? 0.116 0.116 0.116 0.000  0.000  0.000  97  TYR   A HE2  
970  H HH   . TYR   A 57  ? 0.118 0.118 0.118 0.000  0.000  0.000  97  TYR   A HH   
971  N N    . TYR   A 58  ? 0.115 0.134 0.162 0.013  0.019  -0.014 98  TYR   A N    
972  C CA   . TYR   A 58  ? 0.126 0.129 0.156 0.024  -0.001 -0.006 98  TYR   A CA   
973  C C    . TYR   A 58  ? 0.133 0.160 0.156 0.033  -0.012 0.010  98  TYR   A C    
974  O O    . TYR   A 58  ? 0.194 0.166 0.184 0.052  0.007  0.036  98  TYR   A O    
975  C CB   . TYR   A 58  ? 0.127 0.146 0.150 0.033  0.002  -0.003 98  TYR   A CB   
976  C CG   . TYR   A 58  ? 0.108 0.140 0.141 0.024  -0.010 0.007  98  TYR   A CG   
977  C CD1  . TYR   A 58  ? 0.114 0.141 0.149 0.025  0.016  0.006  98  TYR   A CD1  
978  C CD2  . TYR   A 58  ? 0.099 0.165 0.164 0.023  -0.003 -0.006 98  TYR   A CD2  
979  C CE1  . TYR   A 58  ? 0.116 0.131 0.128 0.018  0.013  -0.003 98  TYR   A CE1  
980  C CE2  . TYR   A 58  ? 0.099 0.157 0.165 0.009  -0.003 -0.019 98  TYR   A CE2  
981  C CZ   . TYR   A 58  ? 0.116 0.123 0.145 0.007  -0.005 -0.002 98  TYR   A CZ   
982  O OH   . TYR   A 58  ? 0.117 0.126 0.166 0.014  0.002  0.009  98  TYR   A OH   
983  H H    . TYR   A 58  ? 0.137 0.137 0.137 0.000  0.000  0.000  98  TYR   A H    
984  H HA   . TYR   A 58  ? 0.137 0.137 0.137 0.000  0.000  0.000  98  TYR   A HA   
985  H HB2  . TYR   A 58  ? 0.141 0.141 0.141 0.000  0.000  0.000  98  TYR   A HB2  
986  H HB3  . TYR   A 58  ? 0.141 0.141 0.141 0.000  0.000  0.000  98  TYR   A HB3  
987  H HD1  . TYR   A 58  ? 0.135 0.135 0.135 0.000  0.000  0.000  98  TYR   A HD1  
988  H HD2  . TYR   A 58  ? 0.143 0.143 0.143 0.000  0.000  0.000  98  TYR   A HD2  
989  H HE1  . TYR   A 58  ? 0.125 0.125 0.125 0.000  0.000  0.000  98  TYR   A HE1  
990  H HE2  . TYR   A 58  ? 0.140 0.140 0.140 0.000  0.000  0.000  98  TYR   A HE2  
991  H HH   . TYR   A 58  ? 0.136 0.136 0.136 0.000  0.000  0.000  98  TYR   A HH   
992  N N    . LYS   A 59  ? 0.153 0.147 0.185 0.038  -0.009 0.000  99  LYS   A N    
993  C CA   . LYS   A 59  ? 0.183 0.151 0.202 0.043  -0.015 0.014  99  LYS   A CA   
994  C C    . LYS   A 59  ? 0.196 0.138 0.199 0.016  -0.012 0.045  99  LYS   A C    
995  O O    . LYS   A 59  ? 0.228 0.249 0.277 -0.041 -0.068 0.121  99  LYS   A O    
996  C CB   . LYS   A 59  ? 0.187 0.175 0.237 0.059  -0.034 -0.013 99  LYS   A CB   
997  C CG   . LYS   A 59  ? 0.209 0.224 0.231 0.094  -0.060 -0.044 99  LYS   A CG   
998  C CD   . LYS   A 59  ? 0.249 0.270 0.215 0.148  -0.122 -0.058 99  LYS   A CD   
999  C CE   . LYS   A 59  ? 0.261 0.262 0.240 0.087  -0.096 -0.066 99  LYS   A CE   
1000 N NZ   . LYS   A 59  ? 0.310 0.334 0.343 0.093  -0.061 -0.034 99  LYS   A NZ   
1001 H H    . LYS   A 59  ? 0.162 0.162 0.162 0.000  0.000  0.000  99  LYS   A H    
1002 H HA   . LYS   A 59  ? 0.179 0.179 0.179 0.000  0.000  0.000  99  LYS   A HA   
1003 H HB2  . LYS   A 59  ? 0.200 0.200 0.200 0.000  0.000  0.000  99  LYS   A HB2  
1004 H HB3  . LYS   A 59  ? 0.200 0.200 0.200 0.000  0.000  0.000  99  LYS   A HB3  
1005 H HG2  . LYS   A 59  ? 0.221 0.221 0.221 0.000  0.000  0.000  99  LYS   A HG2  
1006 H HG3  . LYS   A 59  ? 0.221 0.221 0.221 0.000  0.000  0.000  99  LYS   A HG3  
1007 H HD2  . LYS   A 59  ? 0.245 0.245 0.245 0.000  0.000  0.000  99  LYS   A HD2  
1008 H HD3  . LYS   A 59  ? 0.245 0.245 0.245 0.000  0.000  0.000  99  LYS   A HD3  
1009 H HE2  . LYS   A 59  ? 0.254 0.254 0.254 0.000  0.000  0.000  99  LYS   A HE2  
1010 H HE3  . LYS   A 59  ? 0.254 0.254 0.254 0.000  0.000  0.000  99  LYS   A HE3  
1011 H HZ1  . LYS   A 59  ? 0.329 0.329 0.329 0.000  0.000  0.000  99  LYS   A HZ1  
1012 H HZ2  . LYS   A 59  ? 0.329 0.329 0.329 0.000  0.000  0.000  99  LYS   A HZ2  
1013 H HZ3  . LYS   A 59  ? 0.329 0.329 0.329 0.000  0.000  0.000  99  LYS   A HZ3  
1014 N N    . ILE   A 60  ? 0.156 0.117 0.176 0.023  0.007  0.021  100 ILE   A N    
1015 C CA   . ILE   A 60  ? 0.176 0.124 0.164 0.013  -0.009 0.009  100 ILE   A CA   
1016 C C    . ILE   A 60  ? 0.153 0.142 0.149 0.000  0.010  0.009  100 ILE   A C    
1017 O O    . ILE   A 60  ? 0.171 0.165 0.237 -0.006 0.010  0.009  100 ILE   A O    
1018 C CB   . ILE   A 60  ? 0.195 0.120 0.166 0.018  -0.003 -0.026 100 ILE   A CB   
1019 C CG1  . ILE   A 60  ? 0.209 0.156 0.217 0.022  0.016  -0.020 100 ILE   A CG1  
1020 C CG2  . ILE   A 60  ? 0.205 0.153 0.181 0.017  -0.014 -0.013 100 ILE   A CG2  
1021 C CD1  . ILE   A 60  ? 0.237 0.181 0.237 0.038  0.025  -0.028 100 ILE   A CD1  
1022 H H    . ILE   A 60  ? 0.150 0.150 0.150 0.000  0.000  0.000  100 ILE   A H    
1023 H HA   . ILE   A 60  ? 0.155 0.155 0.155 0.000  0.000  0.000  100 ILE   A HA   
1024 H HB   . ILE   A 60  ? 0.160 0.160 0.160 0.000  0.000  0.000  100 ILE   A HB   
1025 H HG12 . ILE   A 60  ? 0.194 0.194 0.194 0.000  0.000  0.000  100 ILE   A HG12 
1026 H HG13 . ILE   A 60  ? 0.194 0.194 0.194 0.000  0.000  0.000  100 ILE   A HG13 
1027 H HG21 . ILE   A 60  ? 0.180 0.180 0.180 0.000  0.000  0.000  100 ILE   A HG21 
1028 H HG22 . ILE   A 60  ? 0.180 0.180 0.180 0.000  0.000  0.000  100 ILE   A HG22 
1029 H HG23 . ILE   A 60  ? 0.180 0.180 0.180 0.000  0.000  0.000  100 ILE   A HG23 
1030 H HD11 . ILE   A 60  ? 0.218 0.218 0.218 0.000  0.000  0.000  100 ILE   A HD11 
1031 H HD12 . ILE   A 60  ? 0.218 0.218 0.218 0.000  0.000  0.000  100 ILE   A HD12 
1032 H HD13 . ILE   A 60  ? 0.218 0.218 0.218 0.000  0.000  0.000  100 ILE   A HD13 
1033 N N    . ILE   A 61  ? 0.153 0.129 0.147 0.024  0.008  0.013  101 ILE   A N    
1034 C CA   . ILE   A 61  ? 0.129 0.130 0.126 0.015  -0.012 0.012  101 ILE   A CA   
1035 C C    . ILE   A 61  ? 0.161 0.197 0.125 0.046  -0.008 -0.004 101 ILE   A C    
1036 O O    . ILE   A 61  ? 0.140 0.421 0.137 0.060  -0.028 0.011  101 ILE   A O    
1037 C CB   . ILE   A 61  ? 0.116 0.129 0.158 0.012  -0.028 0.017  101 ILE   A CB   
1038 C CG1  . ILE   A 61  ? 0.183 0.157 0.211 -0.036 -0.032 0.074  101 ILE   A CG1  
1039 C CG2  . ILE   A 61  ? 0.120 0.145 0.246 0.020  0.012  0.002  101 ILE   A CG2  
1040 C CD1  . ILE   A 61  ? 0.181 0.175 0.141 -0.002 -0.021 0.016  101 ILE   A CD1  
1041 H H    . ILE   A 61  ? 0.143 0.143 0.143 0.000  0.000  0.000  101 ILE   A H    
1042 H HA   . ILE   A 61  ? 0.128 0.128 0.128 0.000  0.000  0.000  101 ILE   A HA   
1043 H HB   . ILE   A 61  ? 0.134 0.134 0.134 0.000  0.000  0.000  101 ILE   A HB   
1044 H HG12 . ILE   A 61  ? 0.184 0.184 0.184 0.000  0.000  0.000  101 ILE   A HG12 
1045 H HG13 . ILE   A 61  ? 0.184 0.184 0.184 0.000  0.000  0.000  101 ILE   A HG13 
1046 H HG21 . ILE   A 61  ? 0.170 0.170 0.170 0.000  0.000  0.000  101 ILE   A HG21 
1047 H HG22 . ILE   A 61  ? 0.170 0.170 0.170 0.000  0.000  0.000  101 ILE   A HG22 
1048 H HG23 . ILE   A 61  ? 0.170 0.170 0.170 0.000  0.000  0.000  101 ILE   A HG23 
1049 H HD11 . ILE   A 61  ? 0.166 0.166 0.166 0.000  0.000  0.000  101 ILE   A HD11 
1050 H HD12 . ILE   A 61  ? 0.166 0.166 0.166 0.000  0.000  0.000  101 ILE   A HD12 
1051 H HD13 . ILE   A 61  ? 0.166 0.166 0.166 0.000  0.000  0.000  101 ILE   A HD13 
1052 N N    . LYS   A 62  ? 0.220 0.124 0.121 0.009  0.000  0.023  102 LYS   A N    
1053 C CA   . LYS   A 62  ? 0.280 0.139 0.127 0.041  0.015  0.044  102 LYS   A CA   
1054 C C    . LYS   A 62  ? 0.210 0.152 0.098 0.024  -0.011 0.030  102 LYS   A C    
1055 O O    . LYS   A 62  ? 0.224 0.187 0.114 0.053  -0.027 0.026  102 LYS   A O    
1056 C CB   . LYS   A 62  ? 0.366 0.166 0.141 0.023  0.054  0.032  102 LYS   A CB   
1057 C CG   . LYS   A 62  ? 0.424 0.170 0.271 -0.031 0.052  0.024  102 LYS   A CG   
1058 C CD   . LYS   A 62  ? 0.487 0.331 0.299 0.090  0.074  -0.017 102 LYS   A CD   
1059 C CE   . LYS   A 62  ? 0.508 0.373 0.458 0.011  0.001  -0.108 102 LYS   A CE   
1060 N NZ   . LYS   A 62  ? 0.547 0.421 0.538 -0.113 0.076  -0.076 102 LYS   A NZ   
1061 H H    . LYS   A 62  ? 0.155 0.155 0.155 0.000  0.000  0.000  102 LYS   A H    
1062 H HA   . LYS   A 62  ? 0.182 0.182 0.182 0.000  0.000  0.000  102 LYS   A HA   
1063 H HB2  . LYS   A 62  ? 0.224 0.224 0.224 0.000  0.000  0.000  102 LYS   A HB2  
1064 H HB3  . LYS   A 62  ? 0.224 0.224 0.224 0.000  0.000  0.000  102 LYS   A HB3  
1065 H HG2  . LYS   A 62  ? 0.288 0.288 0.288 0.000  0.000  0.000  102 LYS   A HG2  
1066 H HG3  . LYS   A 62  ? 0.288 0.288 0.288 0.000  0.000  0.000  102 LYS   A HG3  
1067 H HD2  . LYS   A 62  ? 0.372 0.372 0.372 0.000  0.000  0.000  102 LYS   A HD2  
1068 H HD3  . LYS   A 62  ? 0.372 0.372 0.372 0.000  0.000  0.000  102 LYS   A HD3  
1069 H HE2  . LYS   A 62  ? 0.446 0.446 0.446 0.000  0.000  0.000  102 LYS   A HE2  
1070 H HE3  . LYS   A 62  ? 0.446 0.446 0.446 0.000  0.000  0.000  102 LYS   A HE3  
1071 H HZ1  . LYS   A 62  ? 0.502 0.502 0.502 0.000  0.000  0.000  102 LYS   A HZ1  
1072 H HZ2  . LYS   A 62  ? 0.502 0.502 0.502 0.000  0.000  0.000  102 LYS   A HZ2  
1073 H HZ3  . LYS   A 62  ? 0.502 0.502 0.502 0.000  0.000  0.000  102 LYS   A HZ3  
1074 N N    . THR   A 63  ? 0.173 0.129 0.105 0.012  -0.017 0.027  103 THR   A N    
1075 C CA   . THR   A 63  ? 0.148 0.130 0.117 0.024  -0.011 0.017  103 THR   A CA   
1076 C C    . THR   A 63  ? 0.143 0.114 0.107 0.023  -0.014 0.001  103 THR   A C    
1077 O O    . THR   A 63  ? 0.125 0.128 0.104 0.019  -0.007 0.004  103 THR   A O    
1078 C CB   . THR   A 63  ? 0.151 0.187 0.115 0.015  0.016  0.036  103 THR   A CB   
1079 O OG1  . THR   A 63  ? 0.184 0.230 0.183 0.005  0.009  0.076  103 THR   A OG1  
1080 C CG2  . THR   A 63  ? 0.167 0.235 0.129 0.049  0.024  0.009  103 THR   A CG2  
1081 H H    . THR   A 63  ? 0.136 0.136 0.136 0.000  0.000  0.000  103 THR   A H    
1082 H HA   . THR   A 63  ? 0.132 0.132 0.132 0.000  0.000  0.000  103 THR   A HA   
1083 H HB   . THR   A 63  ? 0.151 0.151 0.151 0.000  0.000  0.000  103 THR   A HB   
1084 H HG1  . THR   A 63  ? 0.199 0.199 0.199 0.000  0.000  0.000  103 THR   A HG1  
1085 H HG21 . THR   A 63  ? 0.177 0.177 0.177 0.000  0.000  0.000  103 THR   A HG21 
1086 H HG22 . THR   A 63  ? 0.177 0.177 0.177 0.000  0.000  0.000  103 THR   A HG22 
1087 H HG23 . THR   A 63  ? 0.177 0.177 0.177 0.000  0.000  0.000  103 THR   A HG23 
1088 N N    . PRO   A 64  ? 0.125 0.125 0.121 0.025  -0.005 0.016  104 PRO   A N    
1089 C CA   . PRO   A 64  ? 0.136 0.126 0.140 0.025  0.005  0.008  104 PRO   A CA   
1090 C C    . PRO   A 64  ? 0.113 0.107 0.124 0.015  -0.002 0.002  104 PRO   A C    
1091 O O    . PRO   A 64  ? 0.126 0.123 0.112 0.026  -0.008 0.002  104 PRO   A O    
1092 C CB   . PRO   A 64  ? 0.127 0.153 0.182 0.023  0.006  0.013  104 PRO   A CB   
1093 C CG   . PRO   A 64  ? 0.138 0.180 0.182 0.034  0.006  0.023  104 PRO   A CG   
1094 C CD   . PRO   A 64  ? 0.125 0.160 0.156 0.023  -0.008 0.010  104 PRO   A CD   
1095 H HA   . PRO   A 64  ? 0.134 0.134 0.134 0.000  0.000  0.000  104 PRO   A HA   
1096 H HB2  . PRO   A 64  ? 0.154 0.154 0.154 0.000  0.000  0.000  104 PRO   A HB2  
1097 H HB3  . PRO   A 64  ? 0.154 0.154 0.154 0.000  0.000  0.000  104 PRO   A HB3  
1098 H HG2  . PRO   A 64  ? 0.167 0.167 0.167 0.000  0.000  0.000  104 PRO   A HG2  
1099 H HG3  . PRO   A 64  ? 0.167 0.167 0.167 0.000  0.000  0.000  104 PRO   A HG3  
1100 H HD2  . PRO   A 64  ? 0.147 0.147 0.147 0.000  0.000  0.000  104 PRO   A HD2  
1101 H HD3  . PRO   A 64  ? 0.147 0.147 0.147 0.000  0.000  0.000  104 PRO   A HD3  
1102 N N    . MET   A 65  ? 0.112 0.098 0.110 0.006  0.004  -0.005 105 MET   A N    
1103 C CA   . MET   A 65  ? 0.100 0.092 0.099 0.009  -0.004 -0.007 105 MET   A CA   
1104 C C    . MET   A 65  ? 0.097 0.111 0.091 0.006  0.001  -0.009 105 MET   A C    
1105 O O    . MET   A 65  ? 0.149 0.111 0.105 -0.007 0.013  -0.013 105 MET   A O    
1106 C CB   . MET   A 65  ? 0.112 0.105 0.095 -0.004 -0.009 0.005  105 MET   A CB   
1107 C CG   . MET   A 65  ? 0.093 0.122 0.121 0.003  0.000  0.002  105 MET   A CG   
1108 S SD   . MET   A 65  ? 0.110 0.118 0.107 0.011  0.005  -0.001 105 MET   A SD   
1109 C CE   . MET   A 65  ? 0.141 0.146 0.114 0.026  0.006  0.003  105 MET   A CE   
1110 H H    . MET   A 65  ? 0.107 0.107 0.107 0.000  0.000  0.000  105 MET   A H    
1111 H HA   . MET   A 65  ? 0.097 0.097 0.097 0.000  0.000  0.000  105 MET   A HA   
1112 H HB2  . MET   A 65  ? 0.104 0.104 0.104 0.000  0.000  0.000  105 MET   A HB2  
1113 H HB3  . MET   A 65  ? 0.104 0.104 0.104 0.000  0.000  0.000  105 MET   A HB3  
1114 H HG2  . MET   A 65  ? 0.112 0.112 0.112 0.000  0.000  0.000  105 MET   A HG2  
1115 H HG3  . MET   A 65  ? 0.112 0.112 0.112 0.000  0.000  0.000  105 MET   A HG3  
1116 H HE1  . MET   A 65  ? 0.134 0.134 0.134 0.000  0.000  0.000  105 MET   A HE1  
1117 H HE2  . MET   A 65  ? 0.134 0.134 0.134 0.000  0.000  0.000  105 MET   A HE2  
1118 H HE3  . MET   A 65  ? 0.134 0.134 0.134 0.000  0.000  0.000  105 MET   A HE3  
1119 N N    . ASP   A 66  ? 0.109 0.107 0.093 0.006  0.006  -0.007 106 ASP   A N    
1120 C CA   . ASP   A 66  ? 0.103 0.096 0.093 -0.004 0.004  0.000  106 ASP   A CA   
1121 C C    . ASP   A 66  ? 0.079 0.104 0.081 -0.009 0.004  -0.003 106 ASP   A C    
1122 O O    . ASP   A 66  ? 0.090 0.100 0.088 0.003  0.005  0.004  106 ASP   A O    
1123 C CB   . ASP   A 66  ? 0.111 0.110 0.107 0.007  0.007  -0.007 106 ASP   A CB   
1124 C CG   . ASP   A 66  ? 0.090 0.114 0.118 0.007  0.009  -0.009 106 ASP   A CG   
1125 O OD1  . ASP   A 66  ? 0.109 0.124 0.123 0.021  0.000  -0.015 106 ASP   A OD1  
1126 O OD2  . ASP   A 66  ? 0.094 0.113 0.126 0.002  0.005  -0.007 106 ASP   A OD2  
1127 H H    . ASP   A 66  ? 0.103 0.103 0.103 0.000  0.000  0.000  106 ASP   A H    
1128 H HA   . ASP   A 66  ? 0.097 0.097 0.097 0.000  0.000  0.000  106 ASP   A HA   
1129 H HB2  . ASP   A 66  ? 0.109 0.109 0.109 0.000  0.000  0.000  106 ASP   A HB2  
1130 H HB3  . ASP   A 66  ? 0.109 0.109 0.109 0.000  0.000  0.000  106 ASP   A HB3  
1131 N N    . MET   A 67  ? 0.095 0.098 0.084 -0.004 0.015  -0.003 107 MET   A N    
1132 C CA   . MET   A 67  ? 0.096 0.102 0.104 0.000  0.010  0.012  107 MET   A CA   
1133 C C    . MET   A 67  ? 0.095 0.103 0.101 0.000  0.002  0.005  107 MET   A C    
1134 O O    . MET   A 67  ? 0.100 0.122 0.103 0.012  0.009  0.004  107 MET   A O    
1135 C CB   . MET   A 67  ? 0.092 0.124 0.106 0.006  0.004  0.019  107 MET   A CB   
1136 C CG   . MET   A 67  ? 0.134 0.139 0.120 -0.014 -0.004 0.010  107 MET   A CG   
1137 S SD   . MET   A 67  ? 0.123 0.148 0.119 0.001  -0.004 0.020  107 MET   A SD   
1138 C CE   . MET   A 67  ? 0.138 0.146 0.160 0.012  0.002  0.040  107 MET   A CE   
1139 H H    . MET   A 67  ? 0.092 0.092 0.092 0.000  0.000  0.000  107 MET   A H    
1140 H HA   . MET   A 67  ? 0.101 0.101 0.101 0.000  0.000  0.000  107 MET   A HA   
1141 H HB2  . MET   A 67  ? 0.107 0.107 0.107 0.000  0.000  0.000  107 MET   A HB2  
1142 H HB3  . MET   A 67  ? 0.107 0.107 0.107 0.000  0.000  0.000  107 MET   A HB3  
1143 H HG2  . MET   A 67  ? 0.131 0.131 0.131 0.000  0.000  0.000  107 MET   A HG2  
1144 H HG3  . MET   A 67  ? 0.131 0.131 0.131 0.000  0.000  0.000  107 MET   A HG3  
1145 H HE1  . MET   A 67  ? 0.148 0.148 0.148 0.000  0.000  0.000  107 MET   A HE1  
1146 H HE2  . MET   A 67  ? 0.148 0.148 0.148 0.000  0.000  0.000  107 MET   A HE2  
1147 H HE3  . MET   A 67  ? 0.148 0.148 0.148 0.000  0.000  0.000  107 MET   A HE3  
1148 N N    . GLY   A 68  ? 0.088 0.107 0.113 -0.006 0.016  -0.002 108 GLY   A N    
1149 C CA   . GLY   A 68  ? 0.106 0.107 0.135 -0.014 0.015  -0.012 108 GLY   A CA   
1150 C C    . GLY   A 68  ? 0.088 0.108 0.109 -0.004 0.001  -0.011 108 GLY   A C    
1151 O O    . GLY   A 68  ? 0.115 0.111 0.118 -0.001 0.005  -0.018 108 GLY   A O    
1152 H H    . GLY   A 68  ? 0.103 0.103 0.103 0.000  0.000  0.000  108 GLY   A H    
1153 H HA2  . GLY   A 68  ? 0.116 0.116 0.116 0.000  0.000  0.000  108 GLY   A HA2  
1154 H HA3  . GLY   A 68  ? 0.116 0.116 0.116 0.000  0.000  0.000  108 GLY   A HA3  
1155 N N    . THR   A 69  ? 0.088 0.106 0.100 0.007  0.000  -0.011 109 THR   A N    
1156 C CA   . THR   A 69  ? 0.090 0.105 0.105 0.001  -0.010 -0.017 109 THR   A CA   
1157 C C    . THR   A 69  ? 0.093 0.093 0.085 0.003  -0.002 -0.003 109 THR   A C    
1158 O O    . THR   A 69  ? 0.093 0.108 0.095 0.010  -0.005 -0.014 109 THR   A O    
1159 C CB   . THR   A 69  ? 0.092 0.112 0.097 0.013  -0.011 -0.010 109 THR   A CB   
1160 O OG1  . THR   A 69  ? 0.094 0.127 0.128 0.017  -0.023 -0.020 109 THR   A OG1  
1161 C CG2  . THR   A 69  ? 0.123 0.117 0.111 0.017  -0.012 -0.009 109 THR   A CG2  
1162 H H    . THR   A 69  ? 0.098 0.098 0.098 0.000  0.000  0.000  109 THR   A H    
1163 H HA   . THR   A 69  ? 0.100 0.100 0.100 0.000  0.000  0.000  109 THR   A HA   
1164 H HB   . THR   A 69  ? 0.100 0.100 0.100 0.000  0.000  0.000  109 THR   A HB   
1165 H HG1  . THR   A 69  ? 0.116 0.116 0.116 0.000  0.000  0.000  109 THR   A HG1  
1166 H HG21 . THR   A 69  ? 0.117 0.117 0.117 0.000  0.000  0.000  109 THR   A HG21 
1167 H HG22 . THR   A 69  ? 0.117 0.117 0.117 0.000  0.000  0.000  109 THR   A HG22 
1168 H HG23 . THR   A 69  ? 0.117 0.117 0.117 0.000  0.000  0.000  109 THR   A HG23 
1169 N N    . ILE   A 70  ? 0.085 0.092 0.088 0.002  -0.004 -0.014 110 ILE   A N    
1170 C CA   . ILE   A 70  ? 0.087 0.098 0.080 0.000  0.001  0.003  110 ILE   A CA   
1171 C C    . ILE   A 70  ? 0.082 0.103 0.084 0.005  -0.004 -0.001 110 ILE   A C    
1172 O O    . ILE   A 70  ? 0.093 0.098 0.091 0.006  0.003  -0.001 110 ILE   A O    
1173 C CB   . ILE   A 70  ? 0.084 0.101 0.088 0.000  0.002  -0.002 110 ILE   A CB   
1174 C CG1  . ILE   A 70  ? 0.090 0.101 0.092 -0.005 0.004  -0.001 110 ILE   A CG1  
1175 C CG2  . ILE   A 70  ? 0.089 0.123 0.104 0.004  -0.007 -0.005 110 ILE   A CG2  
1176 C CD1  . ILE   A 70  ? 0.096 0.103 0.104 -0.014 0.003  -0.002 110 ILE   A CD1  
1177 H H    . ILE   A 70  ? 0.088 0.088 0.088 0.000  0.000  0.000  110 ILE   A H    
1178 H HA   . ILE   A 70  ? 0.088 0.088 0.088 0.000  0.000  0.000  110 ILE   A HA   
1179 H HB   . ILE   A 70  ? 0.091 0.091 0.091 0.000  0.000  0.000  110 ILE   A HB   
1180 H HG12 . ILE   A 70  ? 0.094 0.094 0.094 0.000  0.000  0.000  110 ILE   A HG12 
1181 H HG13 . ILE   A 70  ? 0.094 0.094 0.094 0.000  0.000  0.000  110 ILE   A HG13 
1182 H HG21 . ILE   A 70  ? 0.105 0.105 0.105 0.000  0.000  0.000  110 ILE   A HG21 
1183 H HG22 . ILE   A 70  ? 0.105 0.105 0.105 0.000  0.000  0.000  110 ILE   A HG22 
1184 H HG23 . ILE   A 70  ? 0.105 0.105 0.105 0.000  0.000  0.000  110 ILE   A HG23 
1185 H HD11 . ILE   A 70  ? 0.101 0.101 0.101 0.000  0.000  0.000  110 ILE   A HD11 
1186 H HD12 . ILE   A 70  ? 0.101 0.101 0.101 0.000  0.000  0.000  110 ILE   A HD12 
1187 H HD13 . ILE   A 70  ? 0.101 0.101 0.101 0.000  0.000  0.000  110 ILE   A HD13 
1188 N N    . LYS   A 71  ? 0.103 0.091 0.096 0.004  0.010  0.000  111 LYS   A N    
1189 C CA   . LYS   A 71  ? 0.106 0.089 0.104 0.011  0.006  0.000  111 LYS   A CA   
1190 C C    . LYS   A 71  ? 0.105 0.091 0.114 -0.006 0.005  -0.001 111 LYS   A C    
1191 O O    . LYS   A 71  ? 0.114 0.098 0.123 0.007  0.009  -0.010 111 LYS   A O    
1192 C CB   . LYS   A 71  ? 0.124 0.100 0.112 0.004  0.012  0.013  111 LYS   A CB   
1193 C CG   . LYS   A 71  ? 0.170 0.101 0.136 0.001  0.015  -0.005 111 LYS   A CG   
1194 C CD   . LYS   A 71  ? 0.189 0.134 0.162 -0.011 0.040  0.004  111 LYS   A CD   
1195 C CE   . LYS   A 71  ? 0.305 0.150 0.215 -0.001 0.100  0.018  111 LYS   A CE   
1196 N NZ   . LYS   A 71  ? 0.378 0.212 0.333 -0.101 0.145  -0.047 111 LYS   A NZ   
1197 H H    . LYS   A 71  ? 0.097 0.097 0.097 0.000  0.000  0.000  111 LYS   A H    
1198 H HA   . LYS   A 71  ? 0.100 0.100 0.100 0.000  0.000  0.000  111 LYS   A HA   
1199 H HB2  . LYS   A 71  ? 0.112 0.112 0.112 0.000  0.000  0.000  111 LYS   A HB2  
1200 H HB3  . LYS   A 71  ? 0.112 0.112 0.112 0.000  0.000  0.000  111 LYS   A HB3  
1201 H HG2  . LYS   A 71  ? 0.136 0.136 0.136 0.000  0.000  0.000  111 LYS   A HG2  
1202 H HG3  . LYS   A 71  ? 0.136 0.136 0.136 0.000  0.000  0.000  111 LYS   A HG3  
1203 H HD2  . LYS   A 71  ? 0.162 0.162 0.162 0.000  0.000  0.000  111 LYS   A HD2  
1204 H HD3  . LYS   A 71  ? 0.162 0.162 0.162 0.000  0.000  0.000  111 LYS   A HD3  
1205 H HE2  . LYS   A 71  ? 0.223 0.223 0.223 0.000  0.000  0.000  111 LYS   A HE2  
1206 H HE3  . LYS   A 71  ? 0.223 0.223 0.223 0.000  0.000  0.000  111 LYS   A HE3  
1207 H HZ1  . LYS   A 71  ? 0.308 0.308 0.308 0.000  0.000  0.000  111 LYS   A HZ1  
1208 H HZ2  . LYS   A 71  ? 0.308 0.308 0.308 0.000  0.000  0.000  111 LYS   A HZ2  
1209 H HZ3  . LYS   A 71  ? 0.308 0.308 0.308 0.000  0.000  0.000  111 LYS   A HZ3  
1210 N N    . LYS   A 72  ? 0.110 0.101 0.115 -0.005 0.004  -0.016 112 LYS   A N    
1211 C CA   . LYS   A 72  ? 0.109 0.116 0.127 0.000  0.005  -0.033 112 LYS   A CA   
1212 C C    . LYS   A 72  ? 0.094 0.117 0.108 0.008  0.000  -0.028 112 LYS   A C    
1213 O O    . LYS   A 72  ? 0.108 0.124 0.121 0.008  -0.008 -0.032 112 LYS   A O    
1214 C CB   . LYS   A 72  ? 0.112 0.143 0.156 -0.004 -0.008 -0.038 112 LYS   A CB   
1215 C CG   . LYS   A 72  ? 0.122 0.199 0.222 -0.022 0.009  -0.026 112 LYS   A CG   
1216 C CD   . LYS   A 72  ? 0.129 0.359 0.306 -0.021 0.008  -0.057 112 LYS   A CD   
1217 C CE   . LYS   A 72  ? 0.205 0.422 0.338 -0.041 0.025  0.010  112 LYS   A CE   
1218 N NZ   . LYS   A 72  ? 0.254 0.521 0.443 -0.020 0.004  -0.075 112 LYS   A NZ   
1219 H H    . LYS   A 72  ? 0.109 0.109 0.109 0.000  0.000  0.000  112 LYS   A H    
1220 H HA   . LYS   A 72  ? 0.117 0.117 0.117 0.000  0.000  0.000  112 LYS   A HA   
1221 H HB2  . LYS   A 72  ? 0.137 0.137 0.137 0.000  0.000  0.000  112 LYS   A HB2  
1222 H HB3  . LYS   A 72  ? 0.137 0.137 0.137 0.000  0.000  0.000  112 LYS   A HB3  
1223 H HG2  . LYS   A 72  ? 0.181 0.181 0.181 0.000  0.000  0.000  112 LYS   A HG2  
1224 H HG3  . LYS   A 72  ? 0.181 0.181 0.181 0.000  0.000  0.000  112 LYS   A HG3  
1225 H HD2  . LYS   A 72  ? 0.265 0.265 0.265 0.000  0.000  0.000  112 LYS   A HD2  
1226 H HD3  . LYS   A 72  ? 0.265 0.265 0.265 0.000  0.000  0.000  112 LYS   A HD3  
1227 H HE2  . LYS   A 72  ? 0.322 0.322 0.322 0.000  0.000  0.000  112 LYS   A HE2  
1228 H HE3  . LYS   A 72  ? 0.322 0.322 0.322 0.000  0.000  0.000  112 LYS   A HE3  
1229 H HZ1  . LYS   A 72  ? 0.406 0.406 0.406 0.000  0.000  0.000  112 LYS   A HZ1  
1230 H HZ2  . LYS   A 72  ? 0.406 0.406 0.406 0.000  0.000  0.000  112 LYS   A HZ2  
1231 H HZ3  . LYS   A 72  ? 0.406 0.406 0.406 0.000  0.000  0.000  112 LYS   A HZ3  
1232 N N    . ARG   A 73  ? 0.103 0.101 0.091 0.006  -0.004 -0.018 113 ARG   A N    
1233 C CA   . ARG   A 73  ? 0.111 0.102 0.083 0.019  -0.012 -0.011 113 ARG   A CA   
1234 C C    . ARG   A 73  ? 0.109 0.103 0.089 0.013  -0.001 -0.005 113 ARG   A C    
1235 O O    . ARG   A 73  ? 0.121 0.113 0.091 0.016  -0.002 -0.001 113 ARG   A O    
1236 C CB   . ARG   A 73  ? 0.100 0.113 0.088 0.019  -0.006 -0.006 113 ARG   A CB   
1237 C CG   . ARG   A 73  ? 0.115 0.120 0.096 0.023  -0.010 -0.001 113 ARG   A CG   
1238 C CD   . ARG   A 73  ? 0.134 0.119 0.109 0.015  -0.020 0.001  113 ARG   A CD   
1239 N NE   . ARG   A 73  ? 0.145 0.118 0.124 0.036  -0.010 0.001  113 ARG   A NE   
1240 C CZ   . ARG   A 73  ? 0.184 0.131 0.130 0.020  -0.013 0.011  113 ARG   A CZ   
1241 N NH1  . ARG   A 73  ? 0.245 0.103 0.144 0.028  -0.049 -0.003 113 ARG   A NH1  
1242 N NH2  . ARG   A 73  ? 0.232 0.122 0.176 0.041  -0.067 0.007  113 ARG   A NH2  
1243 H H    . ARG   A 73  ? 0.098 0.098 0.098 0.000  0.000  0.000  113 ARG   A H    
1244 H HA   . ARG   A 73  ? 0.099 0.099 0.099 0.000  0.000  0.000  113 ARG   A HA   
1245 H HB2  . ARG   A 73  ? 0.100 0.100 0.100 0.000  0.000  0.000  113 ARG   A HB2  
1246 H HB3  . ARG   A 73  ? 0.100 0.100 0.100 0.000  0.000  0.000  113 ARG   A HB3  
1247 H HG2  . ARG   A 73  ? 0.110 0.110 0.110 0.000  0.000  0.000  113 ARG   A HG2  
1248 H HG3  . ARG   A 73  ? 0.110 0.110 0.110 0.000  0.000  0.000  113 ARG   A HG3  
1249 H HD2  . ARG   A 73  ? 0.121 0.121 0.121 0.000  0.000  0.000  113 ARG   A HD2  
1250 H HD3  . ARG   A 73  ? 0.121 0.121 0.121 0.000  0.000  0.000  113 ARG   A HD3  
1251 H HE   . ARG   A 73  ? 0.129 0.129 0.129 0.000  0.000  0.000  113 ARG   A HE   
1252 H HH11 . ARG   A 73  ? 0.164 0.164 0.164 0.000  0.000  0.000  113 ARG   A HH11 
1253 H HH12 . ARG   A 73  ? 0.164 0.164 0.164 0.000  0.000  0.000  113 ARG   A HH12 
1254 H HH21 . ARG   A 73  ? 0.177 0.177 0.177 0.000  0.000  0.000  113 ARG   A HH21 
1255 H HH22 . ARG   A 73  ? 0.177 0.177 0.177 0.000  0.000  0.000  113 ARG   A HH22 
1256 N N    . LEU   A 74  ? 0.096 0.101 0.090 0.013  0.002  -0.004 114 LEU   A N    
1257 C CA   . LEU   A 74  ? 0.103 0.107 0.092 0.009  0.008  -0.005 114 LEU   A CA   
1258 C C    . LEU   A 74  ? 0.096 0.110 0.096 0.014  0.004  -0.008 114 LEU   A C    
1259 O O    . LEU   A 74  ? 0.110 0.108 0.115 0.013  0.003  -0.013 114 LEU   A O    
1260 C CB   . LEU   A 74  ? 0.095 0.093 0.110 0.015  0.007  -0.003 114 LEU   A CB   
1261 C CG   . LEU   A 74  ? 0.099 0.096 0.094 0.013  0.003  -0.008 114 LEU   A CG   
1262 C CD1  . LEU   A 74  ? 0.106 0.098 0.094 0.005  -0.005 -0.003 114 LEU   A CD1  
1263 C CD2  . LEU   A 74  ? 0.116 0.108 0.095 -0.006 0.008  0.004  114 LEU   A CD2  
1264 H H    . LEU   A 74  ? 0.096 0.096 0.096 0.000  0.000  0.000  114 LEU   A H    
1265 H HA   . LEU   A 74  ? 0.101 0.101 0.101 0.000  0.000  0.000  114 LEU   A HA   
1266 H HB2  . LEU   A 74  ? 0.099 0.099 0.099 0.000  0.000  0.000  114 LEU   A HB2  
1267 H HB3  . LEU   A 74  ? 0.099 0.099 0.099 0.000  0.000  0.000  114 LEU   A HB3  
1268 H HG   . LEU   A 74  ? 0.096 0.096 0.096 0.000  0.000  0.000  114 LEU   A HG   
1269 H HD11 . LEU   A 74  ? 0.099 0.099 0.099 0.000  0.000  0.000  114 LEU   A HD11 
1270 H HD12 . LEU   A 74  ? 0.099 0.099 0.099 0.000  0.000  0.000  114 LEU   A HD12 
1271 H HD13 . LEU   A 74  ? 0.099 0.099 0.099 0.000  0.000  0.000  114 LEU   A HD13 
1272 H HD21 . LEU   A 74  ? 0.106 0.106 0.106 0.000  0.000  0.000  114 LEU   A HD21 
1273 H HD22 . LEU   A 74  ? 0.106 0.106 0.106 0.000  0.000  0.000  114 LEU   A HD22 
1274 H HD23 . LEU   A 74  ? 0.106 0.106 0.106 0.000  0.000  0.000  114 LEU   A HD23 
1275 N N    . GLU   A 75  ? 0.106 0.098 0.114 0.002  0.009  -0.015 115 GLU   A N    
1276 C CA   . GLU   A 75  ? 0.129 0.107 0.151 0.011  0.018  -0.023 115 GLU   A CA   
1277 C C    . GLU   A 75  ? 0.111 0.112 0.147 0.004  0.008  -0.028 115 GLU   A C    
1278 O O    . GLU   A 75  ? 0.182 0.123 0.189 0.020  -0.013 -0.050 115 GLU   A O    
1279 C CB   . GLU   A 75  ? 0.143 0.100 0.185 -0.003 0.027  -0.023 115 GLU   A CB   
1280 C CG   . GLU   A 75  ? 0.231 0.095 0.175 0.007  0.045  -0.003 115 GLU   A CG   
1281 C CD   . GLU   A 75  ? 0.244 0.142 0.203 0.000  0.036  -0.012 115 GLU   A CD   
1282 O OE1  . GLU   A 75  ? 0.234 0.223 0.271 -0.019 0.068  0.008  115 GLU   A OE1  
1283 O OE2  . GLU   A 75  ? 0.307 0.172 0.253 -0.013 0.089  0.011  115 GLU   A OE2  
1284 H H    . GLU   A 75  ? 0.106 0.106 0.106 0.000  0.000  0.000  115 GLU   A H    
1285 H HA   . GLU   A 75  ? 0.129 0.129 0.129 0.000  0.000  0.000  115 GLU   A HA   
1286 H HB2  . GLU   A 75  ? 0.143 0.143 0.143 0.000  0.000  0.000  115 GLU   A HB2  
1287 H HB3  . GLU   A 75  ? 0.143 0.143 0.143 0.000  0.000  0.000  115 GLU   A HB3  
1288 H HG2  . GLU   A 75  ? 0.167 0.167 0.167 0.000  0.000  0.000  115 GLU   A HG2  
1289 H HG3  . GLU   A 75  ? 0.167 0.167 0.167 0.000  0.000  0.000  115 GLU   A HG3  
1290 N N    . ASN   A 76  ? 0.112 0.116 0.128 0.007  0.005  -0.032 116 ASN   A N    
1291 C CA   . ASN   A 76  ? 0.127 0.127 0.128 0.006  -0.013 -0.041 116 ASN   A CA   
1292 C C    . ASN   A 76  ? 0.132 0.123 0.109 0.017  0.002  -0.022 116 ASN   A C    
1293 O O    . ASN   A 76  ? 0.151 0.165 0.115 0.019  -0.012 -0.029 116 ASN   A O    
1294 C CB   . ASN   A 76  ? 0.132 0.161 0.151 0.017  -0.028 -0.054 116 ASN   A CB   
1295 C CG   . ASN   A 76  ? 0.145 0.179 0.209 -0.005 -0.033 -0.062 116 ASN   A CG   
1296 O OD1  . ASN   A 76  ? 0.166 0.194 0.470 -0.009 -0.012 0.006  116 ASN   A OD1  
1297 N ND2  . ASN   A 76  ? 0.141 0.218 0.241 -0.011 -0.012 -0.065 116 ASN   A ND2  
1298 H H    . ASN   A 76  ? 0.119 0.119 0.119 0.000  0.000  0.000  116 ASN   A H    
1299 H HA   . ASN   A 76  ? 0.127 0.127 0.127 0.000  0.000  0.000  116 ASN   A HA   
1300 H HB2  . ASN   A 76  ? 0.148 0.148 0.148 0.000  0.000  0.000  116 ASN   A HB2  
1301 H HB3  . ASN   A 76  ? 0.148 0.148 0.148 0.000  0.000  0.000  116 ASN   A HB3  
1302 H HD21 . ASN   A 76  ? 0.200 0.200 0.200 0.000  0.000  0.000  116 ASN   A HD21 
1303 H HD22 . ASN   A 76  ? 0.200 0.200 0.200 0.000  0.000  0.000  116 ASN   A HD22 
1304 N N    . ASN   A 77  ? 0.128 0.117 0.098 0.009  -0.001 -0.005 117 ASN   A N    
1305 C CA   . ASN   A 77  ? 0.124 0.114 0.097 0.017  0.015  -0.010 117 ASN   A CA   
1306 C C    . ASN   A 77  ? 0.144 0.123 0.076 0.014  0.007  -0.010 117 ASN   A C    
1307 O O    . ASN   A 77  ? 0.163 0.134 0.104 0.027  0.018  0.002  117 ASN   A O    
1308 C CB   . ASN   A 77  ? 0.141 0.129 0.106 0.018  0.023  -0.016 117 ASN   A CB   
1309 C CG   . ASN   A 77  ? 0.132 0.127 0.107 0.018  0.025  -0.009 117 ASN   A CG   
1310 O OD1  . ASN   A 77  ? 0.164 0.169 0.134 0.024  0.015  -0.004 117 ASN   A OD1  
1311 N ND2  . ASN   A 77  ? 0.132 0.123 0.091 0.020  0.030  -0.006 117 ASN   A ND2  
1312 H H    . ASN   A 77  ? 0.114 0.114 0.114 0.000  0.000  0.000  117 ASN   A H    
1313 H HA   . ASN   A 77  ? 0.112 0.112 0.112 0.000  0.000  0.000  117 ASN   A HA   
1314 H HB2  . ASN   A 77  ? 0.125 0.125 0.125 0.000  0.000  0.000  117 ASN   A HB2  
1315 H HB3  . ASN   A 77  ? 0.125 0.125 0.125 0.000  0.000  0.000  117 ASN   A HB3  
1316 H HD21 . ASN   A 77  ? 0.115 0.115 0.115 0.000  0.000  0.000  117 ASN   A HD21 
1317 H HD22 . ASN   A 77  ? 0.115 0.115 0.115 0.000  0.000  0.000  117 ASN   A HD22 
1318 N N    . TYR   A 78  ? 0.126 0.123 0.088 0.019  -0.003 -0.007 118 TYR   A N    
1319 C CA   . TYR   A 78  ? 0.141 0.132 0.087 0.024  -0.007 -0.012 118 TYR   A CA   
1320 C C    . TYR   A 78  ? 0.148 0.116 0.086 0.032  0.017  0.002  118 TYR   A C    
1321 O O    . TYR   A 78  ? 0.187 0.151 0.103 0.035  0.017  0.030  118 TYR   A O    
1322 C CB   . TYR   A 78  ? 0.128 0.124 0.103 0.013  -0.010 -0.015 118 TYR   A CB   
1323 C CG   . TYR   A 78  ? 0.148 0.128 0.118 0.029  -0.012 -0.009 118 TYR   A CG   
1324 C CD1  . TYR   A 78  ? 0.178 0.154 0.154 0.015  -0.032 0.002  118 TYR   A CD1  
1325 C CD2  . TYR   A 78  ? 0.158 0.126 0.140 0.010  0.016  -0.026 118 TYR   A CD2  
1326 C CE1  . TYR   A 78  ? 0.188 0.193 0.221 0.052  0.000  0.031  118 TYR   A CE1  
1327 C CE2  . TYR   A 78  ? 0.188 0.151 0.184 0.016  0.045  -0.009 118 TYR   A CE2  
1328 C CZ   . TYR   A 78  ? 0.205 0.162 0.217 0.066  0.049  0.017  118 TYR   A CZ   
1329 O OH   . TYR   A 78  ? 0.256 0.168 0.301 0.075  0.037  0.051  118 TYR   A OH   
1330 H H    . TYR   A 78  ? 0.112 0.112 0.112 0.000  0.000  0.000  118 TYR   A H    
1331 H HA   . TYR   A 78  ? 0.120 0.120 0.120 0.000  0.000  0.000  118 TYR   A HA   
1332 H HB2  . TYR   A 78  ? 0.118 0.118 0.118 0.000  0.000  0.000  118 TYR   A HB2  
1333 H HB3  . TYR   A 78  ? 0.118 0.118 0.118 0.000  0.000  0.000  118 TYR   A HB3  
1334 H HD1  . TYR   A 78  ? 0.162 0.162 0.162 0.000  0.000  0.000  118 TYR   A HD1  
1335 H HD2  . TYR   A 78  ? 0.141 0.141 0.141 0.000  0.000  0.000  118 TYR   A HD2  
1336 H HE1  . TYR   A 78  ? 0.201 0.201 0.201 0.000  0.000  0.000  118 TYR   A HE1  
1337 H HE2  . TYR   A 78  ? 0.174 0.174 0.174 0.000  0.000  0.000  118 TYR   A HE2  
1338 H HH   . TYR   A 78  ? 0.242 0.242 0.242 0.000  0.000  0.000  118 TYR   A HH   
1339 N N    . TYR   A 79  ? 0.129 0.114 0.082 0.015  0.006  0.005  119 TYR   A N    
1340 C CA   . TYR   A 79  ? 0.146 0.102 0.104 0.012  0.024  0.008  119 TYR   A CA   
1341 C C    . TYR   A 79  ? 0.152 0.120 0.111 0.010  0.028  0.010  119 TYR   A C    
1342 O O    . TYR   A 79  ? 0.159 0.119 0.129 0.019  0.046  0.018  119 TYR   A O    
1343 C CB   . TYR   A 79  ? 0.117 0.111 0.115 0.002  0.022  0.009  119 TYR   A CB   
1344 C CG   . TYR   A 79  ? 0.118 0.095 0.098 -0.003 0.004  0.000  119 TYR   A CG   
1345 C CD1  . TYR   A 79  ? 0.139 0.094 0.091 0.004  0.017  0.009  119 TYR   A CD1  
1346 C CD2  . TYR   A 79  ? 0.115 0.106 0.106 -0.011 -0.005 0.011  119 TYR   A CD2  
1347 C CE1  . TYR   A 79  ? 0.127 0.096 0.092 -0.005 0.006  -0.001 119 TYR   A CE1  
1348 C CE2  . TYR   A 79  ? 0.118 0.104 0.096 -0.019 -0.001 0.014  119 TYR   A CE2  
1349 C CZ   . TYR   A 79  ? 0.112 0.113 0.080 -0.013 0.004  -0.005 119 TYR   A CZ   
1350 O OH   . TYR   A 79  ? 0.135 0.129 0.093 -0.012 0.020  -0.004 119 TYR   A OH   
1351 H H    . TYR   A 79  ? 0.108 0.108 0.108 0.000  0.000  0.000  119 TYR   A H    
1352 H HA   . TYR   A 79  ? 0.117 0.117 0.117 0.000  0.000  0.000  119 TYR   A HA   
1353 H HB2  . TYR   A 79  ? 0.114 0.114 0.114 0.000  0.000  0.000  119 TYR   A HB2  
1354 H HB3  . TYR   A 79  ? 0.114 0.114 0.114 0.000  0.000  0.000  119 TYR   A HB3  
1355 H HD1  . TYR   A 79  ? 0.108 0.108 0.108 0.000  0.000  0.000  119 TYR   A HD1  
1356 H HD2  . TYR   A 79  ? 0.109 0.109 0.109 0.000  0.000  0.000  119 TYR   A HD2  
1357 H HE1  . TYR   A 79  ? 0.105 0.105 0.105 0.000  0.000  0.000  119 TYR   A HE1  
1358 H HE2  . TYR   A 79  ? 0.106 0.106 0.106 0.000  0.000  0.000  119 TYR   A HE2  
1359 H HH   . TYR   A 79  ? 0.119 0.119 0.119 0.000  0.000  0.000  119 TYR   A HH   
1360 N N    . TRP   A 80  ? 0.185 0.133 0.122 0.013  0.058  0.020  120 TRP   A N    
1361 C CA   . TRP   A 80  ? 0.182 0.136 0.115 0.004  0.060  0.002  120 TRP   A CA   
1362 C C    . TRP   A 80  ? 0.169 0.141 0.135 -0.005 0.067  -0.008 120 TRP   A C    
1363 O O    . TRP   A 80  ? 0.197 0.197 0.142 0.027  0.052  -0.013 120 TRP   A O    
1364 C CB   . TRP   A 80  ? 0.181 0.151 0.139 -0.006 0.048  0.014  120 TRP   A CB   
1365 C CG   . TRP   A 80  ? 0.185 0.153 0.134 -0.012 0.041  0.035  120 TRP   A CG   
1366 C CD1  . TRP   A 80  ? 0.195 0.169 0.165 0.000  0.070  0.020  120 TRP   A CD1  
1367 C CD2  . TRP   A 80  ? 0.165 0.142 0.123 -0.030 0.043  0.022  120 TRP   A CD2  
1368 N NE1  . TRP   A 80  ? 0.160 0.186 0.185 0.010  0.069  0.027  120 TRP   A NE1  
1369 C CE2  . TRP   A 80  ? 0.161 0.144 0.158 -0.012 0.050  0.031  120 TRP   A CE2  
1370 C CE3  . TRP   A 80  ? 0.169 0.149 0.140 -0.022 0.036  0.028  120 TRP   A CE3  
1371 C CZ2  . TRP   A 80  ? 0.171 0.135 0.192 -0.023 0.043  0.037  120 TRP   A CZ2  
1372 C CZ3  . TRP   A 80  ? 0.163 0.168 0.140 -0.013 0.035  0.014  120 TRP   A CZ3  
1373 C CH2  . TRP   A 80  ? 0.167 0.165 0.157 -0.029 0.027  0.009  120 TRP   A CH2  
1374 H H    . TRP   A 80  ? 0.147 0.147 0.147 0.000  0.000  0.000  120 TRP   A H    
1375 H HA   . TRP   A 80  ? 0.144 0.144 0.144 0.000  0.000  0.000  120 TRP   A HA   
1376 H HB2  . TRP   A 80  ? 0.157 0.157 0.157 0.000  0.000  0.000  120 TRP   A HB2  
1377 H HB3  . TRP   A 80  ? 0.157 0.157 0.157 0.000  0.000  0.000  120 TRP   A HB3  
1378 H HD1  . TRP   A 80  ? 0.176 0.176 0.176 0.000  0.000  0.000  120 TRP   A HD1  
1379 H HE1  . TRP   A 80  ? 0.177 0.177 0.177 0.000  0.000  0.000  120 TRP   A HE1  
1380 H HE3  . TRP   A 80  ? 0.153 0.153 0.153 0.000  0.000  0.000  120 TRP   A HE3  
1381 H HZ2  . TRP   A 80  ? 0.166 0.166 0.166 0.000  0.000  0.000  120 TRP   A HZ2  
1382 H HZ3  . TRP   A 80  ? 0.157 0.157 0.157 0.000  0.000  0.000  120 TRP   A HZ3  
1383 H HH2  . TRP   A 80  ? 0.163 0.163 0.163 0.000  0.000  0.000  120 TRP   A HH2  
1384 N N    . ASN   A 81  ? 0.171 0.159 0.142 -0.001 0.065  -0.021 121 ASN   A N    
1385 C CA   . ASN   A 81  ? 0.165 0.188 0.164 -0.008 0.080  -0.008 121 ASN   A CA   
1386 C C    . ASN   A 81  ? 0.133 0.141 0.147 -0.010 0.037  -0.020 121 ASN   A C    
1387 O O    . ASN   A 81  ? 0.139 0.148 0.142 -0.001 0.032  -0.007 121 ASN   A O    
1388 C CB   . ASN   A 81  ? 0.199 0.217 0.163 -0.027 0.064  -0.011 121 ASN   A CB   
1389 C CG   . ASN   A 81  ? 0.190 0.204 0.154 -0.041 0.065  0.004  121 ASN   A CG   
1390 O OD1  . ASN   A 81  ? 0.232 0.188 0.151 -0.015 0.054  -0.004 121 ASN   A OD1  
1391 N ND2  . ASN   A 81  ? 0.280 0.215 0.175 -0.026 0.070  0.008  121 ASN   A ND2  
1392 H H    . ASN   A 81  ? 0.157 0.157 0.157 0.000  0.000  0.000  121 ASN   A H    
1393 H HA   . ASN   A 81  ? 0.172 0.172 0.172 0.000  0.000  0.000  121 ASN   A HA   
1394 H HB2  . ASN   A 81  ? 0.193 0.193 0.193 0.000  0.000  0.000  121 ASN   A HB2  
1395 H HB3  . ASN   A 81  ? 0.193 0.193 0.193 0.000  0.000  0.000  121 ASN   A HB3  
1396 H HD21 . ASN   A 81  ? 0.223 0.223 0.223 0.000  0.000  0.000  121 ASN   A HD21 
1397 H HD22 . ASN   A 81  ? 0.223 0.223 0.223 0.000  0.000  0.000  121 ASN   A HD22 
1398 N N    . ALA   A 82  ? 0.129 0.161 0.158 0.021  0.051  -0.012 122 ALA   A N    
1399 C CA   . ALA   A 82  ? 0.131 0.160 0.149 0.020  0.046  -0.016 122 ALA   A CA   
1400 C C    . ALA   A 82  ? 0.109 0.147 0.148 -0.016 0.022  -0.013 122 ALA   A C    
1401 O O    . ALA   A 82  ? 0.110 0.149 0.130 0.000  0.032  -0.015 122 ALA   A O    
1402 C CB   . ALA   A 82  ? 0.167 0.206 0.179 0.047  0.017  -0.029 122 ALA   A CB   
1403 H H    . ALA   A 82  ? 0.149 0.149 0.149 0.000  0.000  0.000  122 ALA   A H    
1404 H HA   . ALA   A 82  ? 0.147 0.147 0.147 0.000  0.000  0.000  122 ALA   A HA   
1405 H HB1  . ALA   A 82  ? 0.184 0.184 0.184 0.000  0.000  0.000  122 ALA   A HB1  
1406 H HB2  . ALA   A 82  ? 0.184 0.184 0.184 0.000  0.000  0.000  122 ALA   A HB2  
1407 H HB3  . ALA   A 82  ? 0.184 0.184 0.184 0.000  0.000  0.000  122 ALA   A HB3  
1408 N N    . GLN   A 83  ? 0.126 0.149 0.172 -0.010 0.053  -0.024 123 GLN   A N    
1409 C CA   . GLN   A 83  ? 0.130 0.149 0.177 -0.032 0.042  -0.022 123 GLN   A CA   
1410 C C    . GLN   A 83  ? 0.142 0.114 0.151 -0.032 0.043  -0.003 123 GLN   A C    
1411 O O    . GLN   A 83  ? 0.139 0.125 0.140 -0.015 0.036  -0.017 123 GLN   A O    
1412 C CB   . GLN   A 83  ? 0.159 0.163 0.227 -0.036 0.073  -0.009 123 GLN   A CB   
1413 C CG   . GLN   A 83  ? 0.209 0.267 0.372 -0.049 0.064  -0.062 123 GLN   A CG   
1414 C CD   . GLN   A 83  ? 0.252 0.367 0.433 -0.084 -0.010 -0.031 123 GLN   A CD   
1415 O OE1  . GLN   A 83  ? 0.319 0.368 0.507 -0.092 0.064  -0.062 123 GLN   A OE1  
1416 N NE2  . GLN   A 83  ? 0.297 0.388 0.583 -0.082 0.090  0.113  123 GLN   A NE2  
1417 H H    . GLN   A 83  ? 0.149 0.149 0.149 0.000  0.000  0.000  123 GLN   A H    
1418 H HA   . GLN   A 83  ? 0.152 0.152 0.152 0.000  0.000  0.000  123 GLN   A HA   
1419 H HB2  . GLN   A 83  ? 0.183 0.183 0.183 0.000  0.000  0.000  123 GLN   A HB2  
1420 H HB3  . GLN   A 83  ? 0.183 0.183 0.183 0.000  0.000  0.000  123 GLN   A HB3  
1421 H HG2  . GLN   A 83  ? 0.283 0.283 0.283 0.000  0.000  0.000  123 GLN   A HG2  
1422 H HG3  . GLN   A 83  ? 0.283 0.283 0.283 0.000  0.000  0.000  123 GLN   A HG3  
1423 H HE21 . GLN   A 83  ? 0.423 0.423 0.423 0.000  0.000  0.000  123 GLN   A HE21 
1424 H HE22 . GLN   A 83  ? 0.423 0.423 0.423 0.000  0.000  0.000  123 GLN   A HE22 
1425 N N    . GLU   A 84  ? 0.156 0.132 0.130 -0.013 0.043  -0.006 124 GLU   A N    
1426 C CA   . GLU   A 84  ? 0.167 0.117 0.142 -0.014 0.024  -0.006 124 GLU   A CA   
1427 C C    . GLU   A 84  ? 0.125 0.118 0.107 -0.016 0.005  -0.013 124 GLU   A C    
1428 O O    . GLU   A 84  ? 0.136 0.113 0.139 0.004  0.005  0.012  124 GLU   A O    
1429 C CB   . GLU   A 84  ? 0.222 0.152 0.126 -0.014 0.009  0.000  124 GLU   A CB   
1430 C CG   . GLU   A 84  ? 0.241 0.171 0.150 0.041  0.038  0.003  124 GLU   A CG   
1431 C CD   . GLU   A 84  ? 0.285 0.188 0.120 0.041  0.025  -0.016 124 GLU   A CD   
1432 O OE1  . GLU   A 84  ? 0.244 0.148 0.139 0.004  0.038  -0.002 124 GLU   A OE1  
1433 O OE2  . GLU   A 84  ? 0.419 0.240 0.233 0.101  -0.089 -0.073 124 GLU   A OE2  
1434 H H    . GLU   A 84  ? 0.139 0.139 0.139 0.000  0.000  0.000  124 GLU   A H    
1435 H HA   . GLU   A 84  ? 0.142 0.142 0.142 0.000  0.000  0.000  124 GLU   A HA   
1436 H HB2  . GLU   A 84  ? 0.167 0.167 0.167 0.000  0.000  0.000  124 GLU   A HB2  
1437 H HB3  . GLU   A 84  ? 0.167 0.167 0.167 0.000  0.000  0.000  124 GLU   A HB3  
1438 H HG2  . GLU   A 84  ? 0.187 0.187 0.187 0.000  0.000  0.000  124 GLU   A HG2  
1439 H HG3  . GLU   A 84  ? 0.187 0.187 0.187 0.000  0.000  0.000  124 GLU   A HG3  
1440 N N    . CYS   A 85  ? 0.124 0.101 0.112 -0.002 0.016  -0.007 125 CYS   A N    
1441 C CA   . CYS   A 85  ? 0.102 0.113 0.108 -0.002 0.003  -0.001 125 CYS   A CA   
1442 C C    . CYS   A 85  ? 0.097 0.097 0.109 -0.001 0.008  -0.006 125 CYS   A C    
1443 O O    . CYS   A 85  ? 0.095 0.097 0.120 -0.009 0.011  -0.006 125 CYS   A O    
1444 C CB   . CYS   A 85  ? 0.109 0.099 0.131 -0.001 0.005  -0.021 125 CYS   A CB   
1445 S SG   . CYS   A 85  ? 0.144 0.108 0.119 0.000  0.006  -0.001 125 CYS   A SG   
1446 H H    . CYS   A 85  ? 0.112 0.112 0.112 0.000  0.000  0.000  125 CYS   A H    
1447 H HA   . CYS   A 85  ? 0.108 0.108 0.108 0.000  0.000  0.000  125 CYS   A HA   
1448 H HB2  . CYS   A 85  ? 0.113 0.113 0.113 0.000  0.000  0.000  125 CYS   A HB2  
1449 H HB3  . CYS   A 85  ? 0.113 0.113 0.113 0.000  0.000  0.000  125 CYS   A HB3  
1450 H HG   . CYS   A 85  ? 0.124 0.124 0.124 0.000  0.000  0.000  125 CYS   A HG   
1451 N N    . ILE   A 86  ? 0.095 0.104 0.118 -0.010 0.014  -0.013 126 ILE   A N    
1452 C CA   . ILE   A 86  ? 0.100 0.113 0.111 -0.020 0.007  -0.009 126 ILE   A CA   
1453 C C    . ILE   A 86  ? 0.093 0.118 0.113 -0.018 0.014  -0.018 126 ILE   A C    
1454 O O    . ILE   A 86  ? 0.097 0.122 0.124 -0.007 0.012  -0.017 126 ILE   A O    
1455 C CB   . ILE   A 86  ? 0.099 0.109 0.121 -0.021 0.006  -0.006 126 ILE   A CB   
1456 C CG1  . ILE   A 86  ? 0.097 0.146 0.138 -0.011 -0.003 -0.014 126 ILE   A CG1  
1457 C CG2  . ILE   A 86  ? 0.100 0.141 0.143 -0.014 0.015  -0.024 126 ILE   A CG2  
1458 C CD1  . ILE   A 86  ? 0.108 0.147 0.176 0.009  0.000  0.001  126 ILE   A CD1  
1459 H H    . ILE   A 86  ? 0.106 0.106 0.106 0.000  0.000  0.000  126 ILE   A H    
1460 H HA   . ILE   A 86  ? 0.108 0.108 0.108 0.000  0.000  0.000  126 ILE   A HA   
1461 H HB   . ILE   A 86  ? 0.110 0.110 0.110 0.000  0.000  0.000  126 ILE   A HB   
1462 H HG12 . ILE   A 86  ? 0.127 0.127 0.127 0.000  0.000  0.000  126 ILE   A HG12 
1463 H HG13 . ILE   A 86  ? 0.127 0.127 0.127 0.000  0.000  0.000  126 ILE   A HG13 
1464 H HG21 . ILE   A 86  ? 0.128 0.128 0.128 0.000  0.000  0.000  126 ILE   A HG21 
1465 H HG22 . ILE   A 86  ? 0.128 0.128 0.128 0.000  0.000  0.000  126 ILE   A HG22 
1466 H HG23 . ILE   A 86  ? 0.128 0.128 0.128 0.000  0.000  0.000  126 ILE   A HG23 
1467 H HD11 . ILE   A 86  ? 0.144 0.144 0.144 0.000  0.000  0.000  126 ILE   A HD11 
1468 H HD12 . ILE   A 86  ? 0.144 0.144 0.144 0.000  0.000  0.000  126 ILE   A HD12 
1469 H HD13 . ILE   A 86  ? 0.144 0.144 0.144 0.000  0.000  0.000  126 ILE   A HD13 
1470 N N    . GLN   A 87  ? 0.109 0.107 0.115 -0.009 0.020  -0.007 127 GLN   A N    
1471 C CA   . GLN   A 87  ? 0.111 0.107 0.136 -0.005 0.033  -0.010 127 GLN   A CA   
1472 C C    . GLN   A 87  ? 0.106 0.104 0.100 0.004  0.013  -0.013 127 GLN   A C    
1473 O O    . GLN   A 87  ? 0.105 0.107 0.115 -0.004 0.013  -0.004 127 GLN   A O    
1474 C CB   . GLN   A 87  ? 0.125 0.133 0.168 -0.011 0.051  0.020  127 GLN   A CB   
1475 C CG   . GLN   A 87  ? 0.191 0.176 0.244 0.003  0.047  0.007  127 GLN   A CG   
1476 C CD   . GLN   A 87  ? 0.635 0.522 0.466 -0.367 -0.010 -0.148 127 GLN   A CD   
1477 O OE1  . GLN   A 87  ? 0.604 0.596 0.625 -0.063 0.132  -0.048 127 GLN   A OE1  
1478 N NE2  . GLN   A 87  ? 0.704 0.699 0.375 -0.211 0.310  -0.155 127 GLN   A NE2  
1479 H H    . GLN   A 87  ? 0.110 0.110 0.110 0.000  0.000  0.000  127 GLN   A H    
1480 H HA   . GLN   A 87  ? 0.118 0.118 0.118 0.000  0.000  0.000  127 GLN   A HA   
1481 H HB2  . GLN   A 87  ? 0.142 0.142 0.142 0.000  0.000  0.000  127 GLN   A HB2  
1482 H HB3  . GLN   A 87  ? 0.142 0.142 0.142 0.000  0.000  0.000  127 GLN   A HB3  
1483 H HG2  . GLN   A 87  ? 0.204 0.204 0.204 0.000  0.000  0.000  127 GLN   A HG2  
1484 H HG3  . GLN   A 87  ? 0.204 0.204 0.204 0.000  0.000  0.000  127 GLN   A HG3  
1485 H HE21 . GLN   A 87  ? 0.593 0.593 0.593 0.000  0.000  0.000  127 GLN   A HE21 
1486 H HE22 . GLN   A 87  ? 0.593 0.593 0.593 0.000  0.000  0.000  127 GLN   A HE22 
1487 N N    . ASP   A 88  ? 0.104 0.096 0.105 0.003  0.014  -0.007 128 ASP   A N    
1488 C CA   . ASP   A 88  ? 0.090 0.105 0.092 0.005  0.002  -0.014 128 ASP   A CA   
1489 C C    . ASP   A 88  ? 0.088 0.087 0.091 -0.001 -0.001 -0.005 128 ASP   A C    
1490 O O    . ASP   A 88  ? 0.094 0.094 0.084 0.004  0.001  -0.008 128 ASP   A O    
1491 C CB   . ASP   A 88  ? 0.100 0.096 0.095 0.000  0.012  -0.005 128 ASP   A CB   
1492 C CG   . ASP   A 88  ? 0.112 0.111 0.104 0.000  0.002  -0.019 128 ASP   A CG   
1493 O OD1  . ASP   A 88  ? 0.146 0.132 0.104 0.006  -0.006 -0.005 128 ASP   A OD1  
1494 O OD2  . ASP   A 88  ? 0.153 0.129 0.101 0.000  0.002  -0.022 128 ASP   A OD2  
1495 H H    . ASP   A 88  ? 0.102 0.102 0.102 0.000  0.000  0.000  128 ASP   A H    
1496 H HA   . ASP   A 88  ? 0.096 0.096 0.096 0.000  0.000  0.000  128 ASP   A HA   
1497 H HB2  . ASP   A 88  ? 0.097 0.097 0.097 0.000  0.000  0.000  128 ASP   A HB2  
1498 H HB3  . ASP   A 88  ? 0.097 0.097 0.097 0.000  0.000  0.000  128 ASP   A HB3  
1499 N N    . PHE   A 89  ? 0.087 0.089 0.098 -0.002 0.005  0.001  129 PHE   A N    
1500 C CA   . PHE   A 89  ? 0.093 0.102 0.090 -0.004 -0.004 -0.002 129 PHE   A CA   
1501 C C    . PHE   A 89  ? 0.087 0.102 0.091 -0.006 -0.003 -0.001 129 PHE   A C    
1502 O O    . PHE   A 89  ? 0.096 0.102 0.085 0.003  0.001  0.002  129 PHE   A O    
1503 C CB   . PHE   A 89  ? 0.105 0.093 0.095 -0.005 -0.005 -0.003 129 PHE   A CB   
1504 C CG   . PHE   A 89  ? 0.086 0.097 0.113 0.001  -0.013 0.007  129 PHE   A CG   
1505 C CD1  . PHE   A 89  ? 0.112 0.106 0.120 0.003  -0.001 0.002  129 PHE   A CD1  
1506 C CD2  . PHE   A 89  ? 0.106 0.101 0.101 -0.005 -0.015 -0.005 129 PHE   A CD2  
1507 C CE1  . PHE   A 89  ? 0.130 0.123 0.123 -0.011 -0.002 0.031  129 PHE   A CE1  
1508 C CE2  . PHE   A 89  ? 0.124 0.109 0.127 0.015  -0.028 0.004  129 PHE   A CE2  
1509 C CZ   . PHE   A 89  ? 0.129 0.109 0.128 -0.010 -0.027 0.010  129 PHE   A CZ   
1510 H H    . PHE   A 89  ? 0.091 0.091 0.091 0.000  0.000  0.000  129 PHE   A H    
1511 H HA   . PHE   A 89  ? 0.095 0.095 0.095 0.000  0.000  0.000  129 PHE   A HA   
1512 H HB2  . PHE   A 89  ? 0.098 0.098 0.098 0.000  0.000  0.000  129 PHE   A HB2  
1513 H HB3  . PHE   A 89  ? 0.098 0.098 0.098 0.000  0.000  0.000  129 PHE   A HB3  
1514 H HD1  . PHE   A 89  ? 0.113 0.113 0.113 0.000  0.000  0.000  129 PHE   A HD1  
1515 H HD2  . PHE   A 89  ? 0.103 0.103 0.103 0.000  0.000  0.000  129 PHE   A HD2  
1516 H HE1  . PHE   A 89  ? 0.125 0.125 0.125 0.000  0.000  0.000  129 PHE   A HE1  
1517 H HE2  . PHE   A 89  ? 0.120 0.120 0.120 0.000  0.000  0.000  129 PHE   A HE2  
1518 H HZ   . PHE   A 89  ? 0.122 0.122 0.122 0.000  0.000  0.000  129 PHE   A HZ   
1519 N N    . ASN   A 90  ? 0.089 0.092 0.096 -0.007 0.006  -0.003 130 ASN   A N    
1520 C CA   . ASN   A 90  ? 0.097 0.102 0.097 -0.008 0.012  -0.012 130 ASN   A CA   
1521 C C    . ASN   A 90  ? 0.099 0.088 0.098 -0.012 0.009  -0.015 130 ASN   A C    
1522 O O    . ASN   A 90  ? 0.102 0.093 0.107 -0.003 0.007  -0.009 130 ASN   A O    
1523 C CB   . ASN   A 90  ? 0.097 0.106 0.120 -0.021 0.020  -0.015 130 ASN   A CB   
1524 C CG   . ASN   A 90  ? 0.109 0.125 0.163 -0.016 0.017  -0.032 130 ASN   A CG   
1525 O OD1  . ASN   A 90  ? 0.114 0.161 0.184 -0.004 0.002  0.003  130 ASN   A OD1  
1526 N ND2  . ASN   A 90  ? 0.112 0.212 0.184 -0.015 0.026  -0.046 130 ASN   A ND2  
1527 H H    . ASN   A 90  ? 0.092 0.092 0.092 0.000  0.000  0.000  130 ASN   A H    
1528 H HA   . ASN   A 90  ? 0.099 0.099 0.099 0.000  0.000  0.000  130 ASN   A HA   
1529 H HB2  . ASN   A 90  ? 0.108 0.108 0.108 0.000  0.000  0.000  130 ASN   A HB2  
1530 H HB3  . ASN   A 90  ? 0.108 0.108 0.108 0.000  0.000  0.000  130 ASN   A HB3  
1531 H HD21 . ASN   A 90  ? 0.169 0.169 0.169 0.000  0.000  0.000  130 ASN   A HD21 
1532 H HD22 . ASN   A 90  ? 0.169 0.169 0.169 0.000  0.000  0.000  130 ASN   A HD22 
1533 N N    . THR   A 91  ? 0.098 0.084 0.100 0.001  0.010  -0.003 131 THR   A N    
1534 C CA   . THR   A 91  ? 0.109 0.084 0.100 -0.001 0.008  -0.007 131 THR   A CA   
1535 C C    . THR   A 91  ? 0.095 0.091 0.079 0.005  -0.004 -0.006 131 THR   A C    
1536 O O    . THR   A 91  ? 0.099 0.095 0.090 0.004  0.000  -0.002 131 THR   A O    
1537 C CB   . THR   A 91  ? 0.114 0.094 0.084 -0.004 0.005  0.010  131 THR   A CB   
1538 O OG1  . THR   A 91  ? 0.126 0.113 0.103 0.001  0.021  0.012  131 THR   A OG1  
1539 C CG2  . THR   A 91  ? 0.129 0.114 0.092 0.015  0.010  0.004  131 THR   A CG2  
1540 H H    . THR   A 91  ? 0.094 0.094 0.094 0.000  0.000  0.000  131 THR   A H    
1541 H HA   . THR   A 91  ? 0.098 0.098 0.098 0.000  0.000  0.000  131 THR   A HA   
1542 H HB   . THR   A 91  ? 0.097 0.097 0.097 0.000  0.000  0.000  131 THR   A HB   
1543 H HG1  . THR   A 91  ? 0.114 0.114 0.114 0.000  0.000  0.000  131 THR   A HG1  
1544 H HG21 . THR   A 91  ? 0.112 0.112 0.112 0.000  0.000  0.000  131 THR   A HG21 
1545 H HG22 . THR   A 91  ? 0.112 0.112 0.112 0.000  0.000  0.000  131 THR   A HG22 
1546 H HG23 . THR   A 91  ? 0.112 0.112 0.112 0.000  0.000  0.000  131 THR   A HG23 
1547 N N    . MET   A 92  ? 0.093 0.088 0.088 0.001  0.007  -0.008 132 MET   A N    
1548 C CA   . MET   A 92  ? 0.083 0.092 0.086 0.003  0.002  -0.007 132 MET   A CA   
1549 C C    . MET   A 92  ? 0.093 0.074 0.090 -0.004 0.004  0.006  132 MET   A C    
1550 O O    . MET   A 92  ? 0.093 0.085 0.085 -0.001 0.001  -0.005 132 MET   A O    
1551 C CB   . MET   A 92  ? 0.081 0.090 0.087 0.000  0.002  -0.005 132 MET   A CB   
1552 C CG   . MET   A 92  ? 0.093 0.098 0.092 -0.005 0.002  0.000  132 MET   A CG   
1553 S SD   . MET   A 92  ? 0.113 0.094 0.100 -0.012 0.000  -0.001 132 MET   A SD   
1554 C CE   . MET   A 92  ? 0.164 0.110 0.158 0.001  -0.042 0.022  132 MET   A CE   
1555 H H    . MET   A 92  ? 0.090 0.090 0.090 0.000  0.000  0.000  132 MET   A H    
1556 H HA   . MET   A 92  ? 0.087 0.087 0.087 0.000  0.000  0.000  132 MET   A HA   
1557 H HB2  . MET   A 92  ? 0.086 0.086 0.086 0.000  0.000  0.000  132 MET   A HB2  
1558 H HB3  . MET   A 92  ? 0.086 0.086 0.086 0.000  0.000  0.000  132 MET   A HB3  
1559 H HG2  . MET   A 92  ? 0.094 0.094 0.094 0.000  0.000  0.000  132 MET   A HG2  
1560 H HG3  . MET   A 92  ? 0.094 0.094 0.094 0.000  0.000  0.000  132 MET   A HG3  
1561 H HE1  . MET   A 92  ? 0.144 0.144 0.144 0.000  0.000  0.000  132 MET   A HE1  
1562 H HE2  . MET   A 92  ? 0.144 0.144 0.144 0.000  0.000  0.000  132 MET   A HE2  
1563 H HE3  . MET   A 92  ? 0.144 0.144 0.144 0.000  0.000  0.000  132 MET   A HE3  
1564 N N    . PHE   A 93  ? 0.086 0.081 0.084 -0.006 0.001  -0.004 133 PHE   A N    
1565 C CA   . PHE   A 93  ? 0.090 0.091 0.087 -0.001 -0.004 -0.002 133 PHE   A CA   
1566 C C    . PHE   A 93  ? 0.087 0.100 0.085 0.001  -0.003 -0.006 133 PHE   A C    
1567 O O    . PHE   A 93  ? 0.095 0.096 0.087 0.005  -0.002 -0.008 133 PHE   A O    
1568 C CB   . PHE   A 93  ? 0.097 0.102 0.096 -0.005 -0.008 -0.008 133 PHE   A CB   
1569 C CG   . PHE   A 93  ? 0.104 0.107 0.075 0.001  -0.021 0.001  133 PHE   A CG   
1570 C CD1  . PHE   A 93  ? 0.131 0.105 0.086 0.023  0.003  0.003  133 PHE   A CD1  
1571 C CD2  . PHE   A 93  ? 0.110 0.117 0.083 0.009  -0.009 -0.004 133 PHE   A CD2  
1572 C CE1  . PHE   A 93  ? 0.135 0.117 0.104 0.003  0.009  0.019  133 PHE   A CE1  
1573 C CE2  . PHE   A 93  ? 0.118 0.110 0.088 0.022  -0.010 -0.007 133 PHE   A CE2  
1574 C CZ   . PHE   A 93  ? 0.124 0.100 0.103 0.015  -0.017 0.002  133 PHE   A CZ   
1575 H H    . PHE   A 93  ? 0.084 0.084 0.084 0.000  0.000  0.000  133 PHE   A H    
1576 H HA   . PHE   A 93  ? 0.089 0.089 0.089 0.000  0.000  0.000  133 PHE   A HA   
1577 H HB2  . PHE   A 93  ? 0.098 0.098 0.098 0.000  0.000  0.000  133 PHE   A HB2  
1578 H HB3  . PHE   A 93  ? 0.098 0.098 0.098 0.000  0.000  0.000  133 PHE   A HB3  
1579 H HD1  . PHE   A 93  ? 0.107 0.107 0.107 0.000  0.000  0.000  133 PHE   A HD1  
1580 H HD2  . PHE   A 93  ? 0.103 0.103 0.103 0.000  0.000  0.000  133 PHE   A HD2  
1581 H HE1  . PHE   A 93  ? 0.119 0.119 0.119 0.000  0.000  0.000  133 PHE   A HE1  
1582 H HE2  . PHE   A 93  ? 0.105 0.105 0.105 0.000  0.000  0.000  133 PHE   A HE2  
1583 H HZ   . PHE   A 93  ? 0.109 0.109 0.109 0.000  0.000  0.000  133 PHE   A HZ   
1584 N N    . THR   A 94  ? 0.102 0.084 0.087 -0.005 0.002  -0.006 134 THR   A N    
1585 C CA   . THR   A 94  ? 0.100 0.081 0.098 -0.015 0.002  -0.010 134 THR   A CA   
1586 C C    . THR   A 94  ? 0.107 0.091 0.091 -0.009 0.004  -0.004 134 THR   A C    
1587 O O    . THR   A 94  ? 0.111 0.090 0.095 -0.004 0.010  -0.002 134 THR   A O    
1588 C CB   . THR   A 94  ? 0.104 0.090 0.105 -0.006 0.007  -0.002 134 THR   A CB   
1589 O OG1  . THR   A 94  ? 0.102 0.113 0.129 -0.014 0.009  -0.012 134 THR   A OG1  
1590 C CG2  . THR   A 94  ? 0.132 0.109 0.141 -0.004 0.039  0.007  134 THR   A CG2  
1591 H H    . THR   A 94  ? 0.091 0.091 0.091 0.000  0.000  0.000  134 THR   A H    
1592 H HA   . THR   A 94  ? 0.093 0.093 0.093 0.000  0.000  0.000  134 THR   A HA   
1593 H HB   . THR   A 94  ? 0.100 0.100 0.100 0.000  0.000  0.000  134 THR   A HB   
1594 H HG1  . THR   A 94  ? 0.115 0.115 0.115 0.000  0.000  0.000  134 THR   A HG1  
1595 H HG21 . THR   A 94  ? 0.127 0.127 0.127 0.000  0.000  0.000  134 THR   A HG21 
1596 H HG22 . THR   A 94  ? 0.127 0.127 0.127 0.000  0.000  0.000  134 THR   A HG22 
1597 H HG23 . THR   A 94  ? 0.127 0.127 0.127 0.000  0.000  0.000  134 THR   A HG23 
1598 N N    . ASN   A 95  ? 0.100 0.087 0.089 0.000  0.002  -0.010 135 ASN   A N    
1599 C CA   . ASN   A 95  ? 0.102 0.080 0.089 0.008  0.005  -0.001 135 ASN   A CA   
1600 C C    . ASN   A 95  ? 0.098 0.090 0.097 0.004  0.009  -0.001 135 ASN   A C    
1601 O O    . ASN   A 95  ? 0.107 0.097 0.098 0.007  0.009  -0.004 135 ASN   A O    
1602 C CB   . ASN   A 95  ? 0.099 0.091 0.090 0.012  0.002  -0.004 135 ASN   A CB   
1603 C CG   . ASN   A 95  ? 0.102 0.095 0.094 0.011  0.002  -0.005 135 ASN   A CG   
1604 O OD1  . ASN   A 95  ? 0.106 0.108 0.091 0.004  -0.002 0.003  135 ASN   A OD1  
1605 N ND2  . ASN   A 95  ? 0.107 0.106 0.099 0.004  0.006  -0.002 135 ASN   A ND2  
1606 H H    . ASN   A 95  ? 0.092 0.092 0.092 0.000  0.000  0.000  135 ASN   A H    
1607 H HA   . ASN   A 95  ? 0.090 0.090 0.090 0.000  0.000  0.000  135 ASN   A HA   
1608 H HB2  . ASN   A 95  ? 0.093 0.093 0.093 0.000  0.000  0.000  135 ASN   A HB2  
1609 H HB3  . ASN   A 95  ? 0.093 0.093 0.093 0.000  0.000  0.000  135 ASN   A HB3  
1610 H HD21 . ASN   A 95  ? 0.104 0.104 0.104 0.000  0.000  0.000  135 ASN   A HD21 
1611 H HD22 . ASN   A 95  ? 0.104 0.104 0.104 0.000  0.000  0.000  135 ASN   A HD22 
1612 N N    . CYS   A 96  ? 0.102 0.090 0.086 -0.004 0.004  -0.003 136 CYS   A N    
1613 C CA   . CYS   A 96  ? 0.099 0.090 0.086 -0.004 0.005  0.009  136 CYS   A CA   
1614 C C    . CYS   A 96  ? 0.095 0.090 0.086 0.003  0.011  0.006  136 CYS   A C    
1615 O O    . CYS   A 96  ? 0.115 0.104 0.099 -0.004 0.012  -0.004 136 CYS   A O    
1616 C CB   . CYS   A 96  ? 0.100 0.084 0.097 -0.002 0.005  0.004  136 CYS   A CB   
1617 S SG   . CYS   A 96  ? 0.124 0.114 0.104 0.007  0.016  0.014  136 CYS   A SG   
1618 H H    . CYS   A 96  ? 0.093 0.093 0.093 0.000  0.000  0.000  136 CYS   A H    
1619 H HA   . CYS   A 96  ? 0.092 0.092 0.092 0.000  0.000  0.000  136 CYS   A HA   
1620 H HB2  . CYS   A 96  ? 0.094 0.094 0.094 0.000  0.000  0.000  136 CYS   A HB2  
1621 H HB3  . CYS   A 96  ? 0.094 0.094 0.094 0.000  0.000  0.000  136 CYS   A HB3  
1622 H HG   . CYS   A 96  ? 0.114 0.114 0.114 0.000  0.000  0.000  136 CYS   A HG   
1623 N N    . TYR   A 97  ? 0.092 0.086 0.090 -0.003 0.003  -0.007 137 TYR   A N    
1624 C CA   . TYR   A 97  ? 0.124 0.095 0.080 -0.008 0.009  -0.008 137 TYR   A CA   
1625 C C    . TYR   A 97  ? 0.109 0.090 0.095 -0.009 0.015  -0.006 137 TYR   A C    
1626 O O    . TYR   A 97  ? 0.143 0.103 0.101 -0.005 0.014  -0.018 137 TYR   A O    
1627 C CB   . TYR   A 97  ? 0.113 0.089 0.105 -0.016 0.008  0.003  137 TYR   A CB   
1628 C CG   . TYR   A 97  ? 0.114 0.103 0.087 -0.007 0.002  -0.004 137 TYR   A CG   
1629 C CD1  . TYR   A 97  ? 0.159 0.145 0.126 0.035  0.047  0.023  137 TYR   A CD1  
1630 C CD2  . TYR   A 97  ? 0.116 0.122 0.083 -0.012 0.012  0.000  137 TYR   A CD2  
1631 C CE1  . TYR   A 97  ? 0.165 0.151 0.155 0.026  0.051  0.043  137 TYR   A CE1  
1632 C CE2  . TYR   A 97  ? 0.134 0.125 0.099 0.010  0.011  -0.007 137 TYR   A CE2  
1633 C CZ   . TYR   A 97  ? 0.140 0.104 0.119 0.015  0.020  0.012  137 TYR   A CZ   
1634 O OH   . TYR   A 97  ? 0.161 0.128 0.170 0.030  0.035  0.035  137 TYR   A OH   
1635 H H    . TYR   A 97  ? 0.089 0.089 0.089 0.000  0.000  0.000  137 TYR   A H    
1636 H HA   . TYR   A 97  ? 0.100 0.100 0.100 0.000  0.000  0.000  137 TYR   A HA   
1637 H HB2  . TYR   A 97  ? 0.102 0.102 0.102 0.000  0.000  0.000  137 TYR   A HB2  
1638 H HB3  . TYR   A 97  ? 0.102 0.102 0.102 0.000  0.000  0.000  137 TYR   A HB3  
1639 H HD1  . TYR   A 97  ? 0.143 0.143 0.143 0.000  0.000  0.000  137 TYR   A HD1  
1640 H HD2  . TYR   A 97  ? 0.107 0.107 0.107 0.000  0.000  0.000  137 TYR   A HD2  
1641 H HE1  . TYR   A 97  ? 0.157 0.157 0.157 0.000  0.000  0.000  137 TYR   A HE1  
1642 H HE2  . TYR   A 97  ? 0.119 0.119 0.119 0.000  0.000  0.000  137 TYR   A HE2  
1643 H HH   . TYR   A 97  ? 0.153 0.153 0.153 0.000  0.000  0.000  137 TYR   A HH   
1644 N N    . ILE   A 98  ? 0.118 0.085 0.098 -0.001 0.005  -0.002 138 ILE   A N    
1645 C CA   . ILE   A 98  ? 0.131 0.087 0.103 0.003  0.004  -0.004 138 ILE   A CA   
1646 C C    . ILE   A 98  ? 0.151 0.098 0.111 0.020  0.001  0.005  138 ILE   A C    
1647 O O    . ILE   A 98  ? 0.158 0.107 0.138 0.023  0.005  -0.015 138 ILE   A O    
1648 C CB   . ILE   A 98  ? 0.153 0.093 0.119 -0.005 -0.004 0.002  138 ILE   A CB   
1649 C CG1  . ILE   A 98  ? 0.127 0.104 0.127 -0.008 -0.007 0.010  138 ILE   A CG1  
1650 C CG2  . ILE   A 98  ? 0.143 0.114 0.133 -0.036 0.017  -0.010 138 ILE   A CG2  
1651 C CD1  . ILE   A 98  ? 0.179 0.144 0.115 -0.033 -0.007 0.007  138 ILE   A CD1  
1652 H H    . ILE   A 98  ? 0.100 0.100 0.100 0.000  0.000  0.000  138 ILE   A H    
1653 H HA   . ILE   A 98  ? 0.107 0.107 0.107 0.000  0.000  0.000  138 ILE   A HA   
1654 H HB   . ILE   A 98  ? 0.122 0.122 0.122 0.000  0.000  0.000  138 ILE   A HB   
1655 H HG12 . ILE   A 98  ? 0.119 0.119 0.119 0.000  0.000  0.000  138 ILE   A HG12 
1656 H HG13 . ILE   A 98  ? 0.119 0.119 0.119 0.000  0.000  0.000  138 ILE   A HG13 
1657 H HG21 . ILE   A 98  ? 0.130 0.130 0.130 0.000  0.000  0.000  138 ILE   A HG21 
1658 H HG22 . ILE   A 98  ? 0.130 0.130 0.130 0.000  0.000  0.000  138 ILE   A HG22 
1659 H HG23 . ILE   A 98  ? 0.130 0.130 0.130 0.000  0.000  0.000  138 ILE   A HG23 
1660 H HD11 . ILE   A 98  ? 0.146 0.146 0.146 0.000  0.000  0.000  138 ILE   A HD11 
1661 H HD12 . ILE   A 98  ? 0.146 0.146 0.146 0.000  0.000  0.000  138 ILE   A HD12 
1662 H HD13 . ILE   A 98  ? 0.146 0.146 0.146 0.000  0.000  0.000  138 ILE   A HD13 
1663 N N    . TYR   A 99  ? 0.118 0.108 0.127 0.016  0.020  0.013  139 TYR   A N    
1664 C CA   . TYR   A 99  ? 0.143 0.118 0.133 0.021  0.013  0.000  139 TYR   A CA   
1665 C C    . TYR   A 99  ? 0.118 0.121 0.130 0.012  0.019  -0.015 139 TYR   A C    
1666 O O    . TYR   A 99  ? 0.141 0.139 0.146 0.028  0.012  -0.027 139 TYR   A O    
1667 C CB   . TYR   A 99  ? 0.133 0.128 0.128 0.026  0.001  -0.004 139 TYR   A CB   
1668 C CG   . TYR   A 99  ? 0.151 0.110 0.122 0.016  0.001  -0.014 139 TYR   A CG   
1669 C CD1  . TYR   A 99  ? 0.126 0.133 0.150 0.022  0.009  0.007  139 TYR   A CD1  
1670 C CD2  . TYR   A 99  ? 0.147 0.148 0.132 0.009  0.022  -0.010 139 TYR   A CD2  
1671 C CE1  . TYR   A 99  ? 0.135 0.133 0.174 0.025  -0.022 -0.005 139 TYR   A CE1  
1672 C CE2  . TYR   A 99  ? 0.163 0.158 0.166 0.020  0.012  -0.019 139 TYR   A CE2  
1673 C CZ   . TYR   A 99  ? 0.131 0.148 0.184 -0.001 0.031  -0.034 139 TYR   A CZ   
1674 O OH   . TYR   A 99  ? 0.135 0.223 0.234 0.002  0.038  -0.045 139 TYR   A OH   
1675 H H    . TYR   A 99  ? 0.118 0.118 0.118 0.000  0.000  0.000  139 TYR   A H    
1676 H HA   . TYR   A 99  ? 0.131 0.131 0.131 0.000  0.000  0.000  139 TYR   A HA   
1677 H HB2  . TYR   A 99  ? 0.130 0.130 0.130 0.000  0.000  0.000  139 TYR   A HB2  
1678 H HB3  . TYR   A 99  ? 0.130 0.130 0.130 0.000  0.000  0.000  139 TYR   A HB3  
1679 H HD1  . TYR   A 99  ? 0.136 0.136 0.136 0.000  0.000  0.000  139 TYR   A HD1  
1680 H HD2  . TYR   A 99  ? 0.142 0.142 0.142 0.000  0.000  0.000  139 TYR   A HD2  
1681 H HE1  . TYR   A 99  ? 0.147 0.147 0.147 0.000  0.000  0.000  139 TYR   A HE1  
1682 H HE2  . TYR   A 99  ? 0.162 0.162 0.162 0.000  0.000  0.000  139 TYR   A HE2  
1683 H HH   . TYR   A 99  ? 0.197 0.197 0.197 0.000  0.000  0.000  139 TYR   A HH   
1684 N N    . ASN   A 100 ? 0.145 0.134 0.118 0.022  0.025  -0.010 140 ASN   A N    
1685 C CA   . ASN   A 100 ? 0.139 0.155 0.109 0.026  0.023  -0.019 140 ASN   A CA   
1686 C C    . ASN   A 100 ? 0.138 0.165 0.124 0.009  0.023  -0.030 140 ASN   A C    
1687 O O    . ASN   A 100 ? 0.156 0.206 0.157 -0.003 0.035  -0.038 140 ASN   A O    
1688 C CB   . ASN   A 100 ? 0.129 0.161 0.103 0.036  0.010  -0.006 140 ASN   A CB   
1689 C CG   . ASN   A 100 ? 0.132 0.120 0.116 0.014  0.030  0.002  140 ASN   A CG   
1690 O OD1  . ASN   A 100 ? 0.133 0.127 0.142 0.012  0.040  -0.009 140 ASN   A OD1  
1691 N ND2  . ASN   A 100 ? 0.118 0.144 0.102 0.018  0.023  -0.012 140 ASN   A ND2  
1692 H H    . ASN   A 100 ? 0.132 0.132 0.132 0.000  0.000  0.000  140 ASN   A H    
1693 H HA   . ASN   A 100 ? 0.134 0.134 0.134 0.000  0.000  0.000  140 ASN   A HA   
1694 H HB2  . ASN   A 100 ? 0.131 0.131 0.131 0.000  0.000  0.000  140 ASN   A HB2  
1695 H HB3  . ASN   A 100 ? 0.131 0.131 0.131 0.000  0.000  0.000  140 ASN   A HB3  
1696 H HD21 . ASN   A 100 ? 0.121 0.121 0.121 0.000  0.000  0.000  140 ASN   A HD21 
1697 H HD22 . ASN   A 100 ? 0.121 0.121 0.121 0.000  0.000  0.000  140 ASN   A HD22 
1698 N N    . LYS   A 101 ? 0.165 0.182 0.128 -0.013 0.038  -0.039 141 LYS   A N    
1699 C CA   . LYS   A 101 ? 0.193 0.141 0.132 -0.023 0.035  -0.030 141 LYS   A CA   
1700 C C    . LYS   A 101 ? 0.188 0.159 0.097 -0.031 0.052  -0.032 141 LYS   A C    
1701 O O    . LYS   A 101 ? 0.177 0.138 0.192 -0.021 0.029  -0.034 141 LYS   A O    
1702 C CB   . LYS   A 101 ? 0.198 0.148 0.138 0.002  0.038  -0.042 141 LYS   A CB   
1703 C CG   . LYS   A 101 ? 0.208 0.218 0.269 0.004  0.043  -0.033 141 LYS   A CG   
1704 C CD   . LYS   A 101 ? 0.251 0.275 0.348 0.016  0.099  -0.058 141 LYS   A CD   
1705 C CE   . LYS   A 101 ? 0.285 0.373 0.447 0.073  0.138  -0.002 141 LYS   A CE   
1706 N NZ   . LYS   A 101 ? 0.337 0.472 0.562 0.122  -0.004 0.009  141 LYS   A NZ   
1707 H H    . LYS   A 101 ? 0.158 0.158 0.158 0.000  0.000  0.000  141 LYS   A H    
1708 H HA   . LYS   A 101 ? 0.155 0.155 0.155 0.000  0.000  0.000  141 LYS   A HA   
1709 H HB2  . LYS   A 101 ? 0.161 0.161 0.161 0.000  0.000  0.000  141 LYS   A HB2  
1710 H HB3  . LYS   A 101 ? 0.161 0.161 0.161 0.000  0.000  0.000  141 LYS   A HB3  
1711 H HG2  . LYS   A 101 ? 0.232 0.232 0.232 0.000  0.000  0.000  141 LYS   A HG2  
1712 H HG3  . LYS   A 101 ? 0.232 0.232 0.232 0.000  0.000  0.000  141 LYS   A HG3  
1713 H HD2  . LYS   A 101 ? 0.291 0.291 0.291 0.000  0.000  0.000  141 LYS   A HD2  
1714 H HD3  . LYS   A 101 ? 0.291 0.291 0.291 0.000  0.000  0.000  141 LYS   A HD3  
1715 H HE2  . LYS   A 101 ? 0.368 0.368 0.368 0.000  0.000  0.000  141 LYS   A HE2  
1716 H HE3  . LYS   A 101 ? 0.368 0.368 0.368 0.000  0.000  0.000  141 LYS   A HE3  
1717 H HZ1  . LYS   A 101 ? 0.457 0.457 0.457 0.000  0.000  0.000  141 LYS   A HZ1  
1718 H HZ2  . LYS   A 101 ? 0.457 0.457 0.457 0.000  0.000  0.000  141 LYS   A HZ2  
1719 H HZ3  . LYS   A 101 ? 0.457 0.457 0.457 0.000  0.000  0.000  141 LYS   A HZ3  
1720 N N    . PRO   A 102 ? 0.176 0.173 0.122 -0.042 0.032  -0.015 142 PRO   A N    
1721 C CA   . PRO   A 102 ? 0.194 0.160 0.163 -0.037 0.043  -0.038 142 PRO   A CA   
1722 C C    . PRO   A 102 ? 0.232 0.161 0.235 -0.060 -0.054 -0.025 142 PRO   A C    
1723 O O    . PRO   A 102 ? 0.292 0.204 0.295 -0.015 -0.009 0.006  142 PRO   A O    
1724 C CB   . PRO   A 102 ? 0.185 0.163 0.245 -0.049 0.024  -0.024 142 PRO   A CB   
1725 C CG   . PRO   A 102 ? 0.292 0.274 0.322 -0.055 -0.029 0.050  142 PRO   A CG   
1726 C CD   . PRO   A 102 ? 0.247 0.164 0.168 -0.070 -0.025 0.034  142 PRO   A CD   
1727 H HA   . PRO   A 102 ? 0.172 0.172 0.172 0.000  0.000  0.000  142 PRO   A HA   
1728 H HB2  . PRO   A 102 ? 0.198 0.198 0.198 0.000  0.000  0.000  142 PRO   A HB2  
1729 H HB3  . PRO   A 102 ? 0.198 0.198 0.198 0.000  0.000  0.000  142 PRO   A HB3  
1730 H HG2  . PRO   A 102 ? 0.296 0.296 0.296 0.000  0.000  0.000  142 PRO   A HG2  
1731 H HG3  . PRO   A 102 ? 0.296 0.296 0.296 0.000  0.000  0.000  142 PRO   A HG3  
1732 H HD2  . PRO   A 102 ? 0.193 0.193 0.193 0.000  0.000  0.000  142 PRO   A HD2  
1733 H HD3  . PRO   A 102 ? 0.193 0.193 0.193 0.000  0.000  0.000  142 PRO   A HD3  
1734 N N    . GLY   A 103 ? 0.241 0.263 0.150 -0.119 -0.026 0.026  143 GLY   A N    
1735 C CA   . GLY   A 103 ? 0.263 0.332 0.124 -0.113 0.040  -0.016 143 GLY   A CA   
1736 C C    . GLY   A 103 ? 0.250 0.318 0.100 -0.109 0.041  -0.034 143 GLY   A C    
1737 O O    . GLY   A 103 ? 0.244 0.299 0.127 -0.085 0.012  -0.028 143 GLY   A O    
1738 H H    . GLY   A 103 ? 0.218 0.218 0.218 0.000  0.000  0.000  143 GLY   A H    
1739 H HA2  . GLY   A 103 ? 0.240 0.240 0.240 0.000  0.000  0.000  143 GLY   A HA2  
1740 H HA3  . GLY   A 103 ? 0.240 0.240 0.240 0.000  0.000  0.000  143 GLY   A HA3  
1741 N N    . ASP   A 104 ? 0.152 0.167 0.118 -0.021 0.034  -0.037 144 ASP   A N    
1742 C CA   . ASP   A 104 ? 0.153 0.139 0.123 -0.015 0.041  -0.024 144 ASP   A CA   
1743 C C    . ASP   A 104 ? 0.124 0.149 0.106 -0.007 0.031  -0.019 144 ASP   A C    
1744 O O    . ASP   A 104 ? 0.125 0.145 0.116 0.000  0.032  -0.017 144 ASP   A O    
1745 C CB   . ASP   A 104 ? 0.157 0.137 0.156 -0.010 0.017  -0.014 144 ASP   A CB   
1746 C CG   . ASP   A 104 ? 0.196 0.152 0.172 -0.013 0.005  0.004  144 ASP   A CG   
1747 O OD1  . ASP   A 104 ? 0.195 0.190 0.199 -0.007 0.051  0.002  144 ASP   A OD1  
1748 O OD2  . ASP   A 104 ? 0.174 0.181 0.208 0.006  0.035  -0.007 144 ASP   A OD2  
1749 H H    . ASP   A 104 ? 0.146 0.146 0.146 0.000  0.000  0.000  144 ASP   A H    
1750 H HA   . ASP   A 104 ? 0.138 0.138 0.138 0.000  0.000  0.000  144 ASP   A HA   
1751 H HB2  . ASP   A 104 ? 0.150 0.150 0.150 0.000  0.000  0.000  144 ASP   A HB2  
1752 H HB3  . ASP   A 104 ? 0.150 0.150 0.150 0.000  0.000  0.000  144 ASP   A HB3  
1753 N N    . ASP   A 105 ? 0.128 0.144 0.104 -0.007 0.035  -0.005 145 ASP   A N    
1754 C CA   . ASP   A 105 ? 0.147 0.129 0.101 0.001  0.026  0.010  145 ASP   A CA   
1755 C C    . ASP   A 105 ? 0.119 0.119 0.104 0.002  0.025  0.000  145 ASP   A C    
1756 O O    . ASP   A 105 ? 0.124 0.133 0.104 0.007  0.032  -0.004 145 ASP   A O    
1757 C CB   . ASP   A 105 ? 0.171 0.132 0.103 -0.001 0.027  0.006  145 ASP   A CB   
1758 C CG   . ASP   A 105 ? 0.180 0.159 0.153 -0.001 0.041  0.018  145 ASP   A CG   
1759 O OD1  . ASP   A 105 ? 0.201 0.215 0.118 0.005  0.021  0.015  145 ASP   A OD1  
1760 O OD2  . ASP   A 105 ? 0.226 0.185 0.132 -0.023 0.059  0.014  145 ASP   A OD2  
1761 H H    . ASP   A 105 ? 0.125 0.125 0.125 0.000  0.000  0.000  145 ASP   A H    
1762 H HA   . ASP   A 105 ? 0.126 0.126 0.126 0.000  0.000  0.000  145 ASP   A HA   
1763 H HB2  . ASP   A 105 ? 0.135 0.135 0.135 0.000  0.000  0.000  145 ASP   A HB2  
1764 H HB3  . ASP   A 105 ? 0.135 0.135 0.135 0.000  0.000  0.000  145 ASP   A HB3  
1765 N N    . ILE   A 106 ? 0.113 0.113 0.100 0.000  0.027  -0.002 146 ILE   A N    
1766 C CA   . ILE   A 106 ? 0.112 0.111 0.097 0.004  0.031  -0.004 146 ILE   A CA   
1767 C C    . ILE   A 106 ? 0.107 0.108 0.093 0.004  0.022  -0.009 146 ILE   A C    
1768 O O    . ILE   A 106 ? 0.116 0.098 0.099 0.002  0.027  -0.002 146 ILE   A O    
1769 C CB   . ILE   A 106 ? 0.105 0.128 0.114 -0.007 0.024  -0.015 146 ILE   A CB   
1770 C CG1  . ILE   A 106 ? 0.125 0.135 0.109 -0.011 0.029  -0.010 146 ILE   A CG1  
1771 C CG2  . ILE   A 106 ? 0.114 0.130 0.117 0.006  0.027  0.001  146 ILE   A CG2  
1772 C CD1  . ILE   A 106 ? 0.140 0.145 0.113 -0.001 0.026  -0.008 146 ILE   A CD1  
1773 H H    . ILE   A 106 ? 0.109 0.109 0.109 0.000  0.000  0.000  146 ILE   A H    
1774 H HA   . ILE   A 106 ? 0.107 0.107 0.107 0.000  0.000  0.000  146 ILE   A HA   
1775 H HB   . ILE   A 106 ? 0.116 0.116 0.116 0.000  0.000  0.000  146 ILE   A HB   
1776 H HG12 . ILE   A 106 ? 0.123 0.123 0.123 0.000  0.000  0.000  146 ILE   A HG12 
1777 H HG13 . ILE   A 106 ? 0.123 0.123 0.123 0.000  0.000  0.000  146 ILE   A HG13 
1778 H HG21 . ILE   A 106 ? 0.120 0.120 0.120 0.000  0.000  0.000  146 ILE   A HG21 
1779 H HG22 . ILE   A 106 ? 0.120 0.120 0.120 0.000  0.000  0.000  146 ILE   A HG22 
1780 H HG23 . ILE   A 106 ? 0.120 0.120 0.120 0.000  0.000  0.000  146 ILE   A HG23 
1781 H HD11 . ILE   A 106 ? 0.133 0.133 0.133 0.000  0.000  0.000  146 ILE   A HD11 
1782 H HD12 . ILE   A 106 ? 0.133 0.133 0.133 0.000  0.000  0.000  146 ILE   A HD12 
1783 H HD13 . ILE   A 106 ? 0.133 0.133 0.133 0.000  0.000  0.000  146 ILE   A HD13 
1784 N N    . VAL   A 107 ? 0.106 0.106 0.102 0.011  0.020  -0.015 147 VAL   A N    
1785 C CA   . VAL   A 107 ? 0.109 0.103 0.107 -0.004 0.025  -0.017 147 VAL   A CA   
1786 C C    . VAL   A 107 ? 0.123 0.108 0.104 0.002  0.022  -0.020 147 VAL   A C    
1787 O O    . VAL   A 107 ? 0.113 0.125 0.124 0.001  0.026  -0.007 147 VAL   A O    
1788 C CB   . VAL   A 107 ? 0.149 0.107 0.117 0.002  0.009  -0.007 147 VAL   A CB   
1789 C CG1  . VAL   A 107 ? 0.145 0.123 0.142 -0.004 0.026  0.002  147 VAL   A CG1  
1790 C CG2  . VAL   A 107 ? 0.165 0.121 0.146 0.006  -0.001 -0.009 147 VAL   A CG2  
1791 H H    . VAL   A 107 ? 0.105 0.105 0.105 0.000  0.000  0.000  147 VAL   A H    
1792 H HA   . VAL   A 107 ? 0.106 0.106 0.106 0.000  0.000  0.000  147 VAL   A HA   
1793 H HB   . VAL   A 107 ? 0.124 0.124 0.124 0.000  0.000  0.000  147 VAL   A HB   
1794 H HG11 . VAL   A 107 ? 0.137 0.137 0.137 0.000  0.000  0.000  147 VAL   A HG11 
1795 H HG12 . VAL   A 107 ? 0.137 0.137 0.137 0.000  0.000  0.000  147 VAL   A HG12 
1796 H HG13 . VAL   A 107 ? 0.137 0.137 0.137 0.000  0.000  0.000  147 VAL   A HG13 
1797 H HG21 . VAL   A 107 ? 0.144 0.144 0.144 0.000  0.000  0.000  147 VAL   A HG21 
1798 H HG22 . VAL   A 107 ? 0.144 0.144 0.144 0.000  0.000  0.000  147 VAL   A HG22 
1799 H HG23 . VAL   A 107 ? 0.144 0.144 0.144 0.000  0.000  0.000  147 VAL   A HG23 
1800 N N    . LEU   A 108 ? 0.130 0.115 0.104 0.004  0.009  -0.010 148 LEU   A N    
1801 C CA   . LEU   A 108 ? 0.123 0.141 0.112 -0.002 0.005  -0.013 148 LEU   A CA   
1802 C C    . LEU   A 108 ? 0.118 0.127 0.095 0.001  0.013  0.005  148 LEU   A C    
1803 O O    . LEU   A 108 ? 0.124 0.139 0.106 0.003  0.005  0.002  148 LEU   A O    
1804 C CB   . LEU   A 108 ? 0.157 0.164 0.099 0.024  0.005  0.001  148 LEU   A CB   
1805 C CG   . LEU   A 108 ? 0.255 0.247 0.186 0.044  0.025  -0.044 148 LEU   A CG   
1806 C CD1  . LEU   A 108 ? 0.303 0.352 0.196 0.006  0.031  -0.044 148 LEU   A CD1  
1807 C CD2  . LEU   A 108 ? 0.302 0.329 0.259 -0.027 -0.012 -0.084 148 LEU   A CD2  
1808 H H    . LEU   A 108 ? 0.116 0.116 0.116 0.000  0.000  0.000  148 LEU   A H    
1809 H HA   . LEU   A 108 ? 0.125 0.125 0.125 0.000  0.000  0.000  148 LEU   A HA   
1810 H HB2  . LEU   A 108 ? 0.140 0.140 0.140 0.000  0.000  0.000  148 LEU   A HB2  
1811 H HB3  . LEU   A 108 ? 0.140 0.140 0.140 0.000  0.000  0.000  148 LEU   A HB3  
1812 H HG   . LEU   A 108 ? 0.229 0.229 0.229 0.000  0.000  0.000  148 LEU   A HG   
1813 H HD11 . LEU   A 108 ? 0.284 0.284 0.284 0.000  0.000  0.000  148 LEU   A HD11 
1814 H HD12 . LEU   A 108 ? 0.284 0.284 0.284 0.000  0.000  0.000  148 LEU   A HD12 
1815 H HD13 . LEU   A 108 ? 0.284 0.284 0.284 0.000  0.000  0.000  148 LEU   A HD13 
1816 H HD21 . LEU   A 108 ? 0.297 0.297 0.297 0.000  0.000  0.000  148 LEU   A HD21 
1817 H HD22 . LEU   A 108 ? 0.297 0.297 0.297 0.000  0.000  0.000  148 LEU   A HD22 
1818 H HD23 . LEU   A 108 ? 0.297 0.297 0.297 0.000  0.000  0.000  148 LEU   A HD23 
1819 N N    . MET   A 109 ? 0.102 0.122 0.101 0.007  0.010  -0.002 149 MET   A N    
1820 C CA   . MET   A 109 ? 0.113 0.106 0.097 0.007  0.011  0.006  149 MET   A CA   
1821 C C    . MET   A 109 ? 0.106 0.105 0.099 0.001  0.003  -0.006 149 MET   A C    
1822 O O    . MET   A 109 ? 0.112 0.113 0.105 0.005  0.017  0.000  149 MET   A O    
1823 C CB   . MET   A 109 ? 0.116 0.101 0.120 0.006  0.021  0.010  149 MET   A CB   
1824 C CG   . MET   A 109 ? 0.119 0.108 0.118 -0.002 0.028  0.011  149 MET   A CG   
1825 S SD   . MET   A 109 ? 0.131 0.142 0.152 -0.004 0.035  0.012  149 MET   A SD   
1826 C CE   . MET   A 109 ? 0.143 0.190 0.127 0.026  0.031  0.006  149 MET   A CE   
1827 H H    . MET   A 109 ? 0.108 0.108 0.108 0.000  0.000  0.000  149 MET   A H    
1828 H HA   . MET   A 109 ? 0.105 0.105 0.105 0.000  0.000  0.000  149 MET   A HA   
1829 H HB2  . MET   A 109 ? 0.112 0.112 0.112 0.000  0.000  0.000  149 MET   A HB2  
1830 H HB3  . MET   A 109 ? 0.112 0.112 0.112 0.000  0.000  0.000  149 MET   A HB3  
1831 H HG2  . MET   A 109 ? 0.115 0.115 0.115 0.000  0.000  0.000  149 MET   A HG2  
1832 H HG3  . MET   A 109 ? 0.115 0.115 0.115 0.000  0.000  0.000  149 MET   A HG3  
1833 H HE1  . MET   A 109 ? 0.153 0.153 0.153 0.000  0.000  0.000  149 MET   A HE1  
1834 H HE2  . MET   A 109 ? 0.153 0.153 0.153 0.000  0.000  0.000  149 MET   A HE2  
1835 H HE3  . MET   A 109 ? 0.153 0.153 0.153 0.000  0.000  0.000  149 MET   A HE3  
1836 N N    . ALA   A 110 ? 0.107 0.110 0.095 0.008  0.009  0.002  150 ALA   A N    
1837 C CA   . ALA   A 110 ? 0.107 0.120 0.092 0.012  0.009  -0.003 150 ALA   A CA   
1838 C C    . ALA   A 110 ? 0.107 0.112 0.095 0.002  0.014  0.003  150 ALA   A C    
1839 O O    . ALA   A 110 ? 0.101 0.123 0.100 0.010  0.012  0.007  150 ALA   A O    
1840 C CB   . ALA   A 110 ? 0.107 0.111 0.101 0.010  0.012  0.007  150 ALA   A CB   
1841 H H    . ALA   A 110 ? 0.104 0.104 0.104 0.000  0.000  0.000  150 ALA   A H    
1842 H HA   . ALA   A 110 ? 0.106 0.106 0.106 0.000  0.000  0.000  150 ALA   A HA   
1843 H HB1  . ALA   A 110 ? 0.106 0.106 0.106 0.000  0.000  0.000  150 ALA   A HB1  
1844 H HB2  . ALA   A 110 ? 0.106 0.106 0.106 0.000  0.000  0.000  150 ALA   A HB2  
1845 H HB3  . ALA   A 110 ? 0.106 0.106 0.106 0.000  0.000  0.000  150 ALA   A HB3  
1846 N N    . GLU   A 111 ? 0.106 0.117 0.101 0.008  0.013  -0.001 151 GLU   A N    
1847 C CA   . GLU   A 111 ? 0.111 0.123 0.106 -0.004 -0.002 0.005  151 GLU   A CA   
1848 C C    . GLU   A 111 ? 0.108 0.129 0.091 0.001  -0.006 -0.001 151 GLU   A C    
1849 O O    . GLU   A 111 ? 0.104 0.148 0.113 0.000  0.002  -0.007 151 GLU   A O    
1850 C CB   . GLU   A 111 ? 0.136 0.129 0.128 -0.004 0.013  -0.003 151 GLU   A CB   
1851 C CG   . GLU   A 111 ? 0.166 0.177 0.162 0.002  -0.026 -0.024 151 GLU   A CG   
1852 C CD   . GLU   A 111 ? 0.200 0.215 0.186 0.028  -0.033 -0.030 151 GLU   A CD   
1853 O OE1  . GLU   A 111 ? 0.242 0.363 0.218 0.003  -0.023 -0.118 151 GLU   A OE1  
1854 O OE2  . GLU   A 111 ? 0.293 0.257 0.300 -0.065 -0.064 -0.041 151 GLU   A OE2  
1855 H H    . GLU   A 111 ? 0.108 0.108 0.108 0.000  0.000  0.000  151 GLU   A H    
1856 H HA   . GLU   A 111 ? 0.113 0.113 0.113 0.000  0.000  0.000  151 GLU   A HA   
1857 H HB2  . GLU   A 111 ? 0.131 0.131 0.131 0.000  0.000  0.000  151 GLU   A HB2  
1858 H HB3  . GLU   A 111 ? 0.131 0.131 0.131 0.000  0.000  0.000  151 GLU   A HB3  
1859 H HG2  . GLU   A 111 ? 0.168 0.168 0.168 0.000  0.000  0.000  151 GLU   A HG2  
1860 H HG3  . GLU   A 111 ? 0.168 0.168 0.168 0.000  0.000  0.000  151 GLU   A HG3  
1861 N N    . ALA   A 112 ? 0.112 0.126 0.100 0.001  0.008  0.004  152 ALA   A N    
1862 C CA   . ALA   A 112 ? 0.137 0.123 0.092 0.007  -0.006 0.003  152 ALA   A CA   
1863 C C    . ALA   A 112 ? 0.111 0.130 0.083 0.005  0.004  0.007  152 ALA   A C    
1864 O O    . ALA   A 112 ? 0.119 0.131 0.096 0.015  -0.005 0.004  152 ALA   A O    
1865 C CB   . ALA   A 112 ? 0.157 0.146 0.099 0.017  0.014  0.019  152 ALA   A CB   
1866 H H    . ALA   A 112 ? 0.113 0.113 0.113 0.000  0.000  0.000  152 ALA   A H    
1867 H HA   . ALA   A 112 ? 0.117 0.117 0.117 0.000  0.000  0.000  152 ALA   A HA   
1868 H HB1  . ALA   A 112 ? 0.134 0.134 0.134 0.000  0.000  0.000  152 ALA   A HB1  
1869 H HB2  . ALA   A 112 ? 0.134 0.134 0.134 0.000  0.000  0.000  152 ALA   A HB2  
1870 H HB3  . ALA   A 112 ? 0.134 0.134 0.134 0.000  0.000  0.000  152 ALA   A HB3  
1871 N N    . LEU   A 113 ? 0.094 0.108 0.092 0.003  0.001  0.008  153 LEU   A N    
1872 C CA   . LEU   A 113 ? 0.091 0.097 0.088 0.008  -0.003 0.007  153 LEU   A CA   
1873 C C    . LEU   A 113 ? 0.100 0.099 0.079 0.001  -0.004 -0.001 153 LEU   A C    
1874 O O    . LEU   A 113 ? 0.092 0.108 0.099 0.002  -0.003 -0.002 153 LEU   A O    
1875 C CB   . LEU   A 113 ? 0.097 0.098 0.101 -0.008 -0.004 0.007  153 LEU   A CB   
1876 C CG   . LEU   A 113 ? 0.119 0.115 0.114 -0.009 0.017  0.008  153 LEU   A CG   
1877 C CD1  . LEU   A 113 ? 0.134 0.129 0.168 -0.024 -0.012 0.017  153 LEU   A CD1  
1878 C CD2  . LEU   A 113 ? 0.129 0.117 0.155 -0.006 0.013  -0.005 153 LEU   A CD2  
1879 H H    . LEU   A 113 ? 0.098 0.098 0.098 0.000  0.000  0.000  153 LEU   A H    
1880 H HA   . LEU   A 113 ? 0.092 0.092 0.092 0.000  0.000  0.000  153 LEU   A HA   
1881 H HB2  . LEU   A 113 ? 0.099 0.099 0.099 0.000  0.000  0.000  153 LEU   A HB2  
1882 H HB3  . LEU   A 113 ? 0.099 0.099 0.099 0.000  0.000  0.000  153 LEU   A HB3  
1883 H HG   . LEU   A 113 ? 0.116 0.116 0.116 0.000  0.000  0.000  153 LEU   A HG   
1884 H HD11 . LEU   A 113 ? 0.144 0.144 0.144 0.000  0.000  0.000  153 LEU   A HD11 
1885 H HD12 . LEU   A 113 ? 0.144 0.144 0.144 0.000  0.000  0.000  153 LEU   A HD12 
1886 H HD13 . LEU   A 113 ? 0.144 0.144 0.144 0.000  0.000  0.000  153 LEU   A HD13 
1887 H HD21 . LEU   A 113 ? 0.134 0.134 0.134 0.000  0.000  0.000  153 LEU   A HD21 
1888 H HD22 . LEU   A 113 ? 0.134 0.134 0.134 0.000  0.000  0.000  153 LEU   A HD22 
1889 H HD23 . LEU   A 113 ? 0.134 0.134 0.134 0.000  0.000  0.000  153 LEU   A HD23 
1890 N N    . GLU   A 114 ? 0.092 0.100 0.083 -0.001 0.002  0.000  154 GLU   A N    
1891 C CA   . GLU   A 114 ? 0.096 0.100 0.082 -0.004 0.000  -0.004 154 GLU   A CA   
1892 C C    . GLU   A 114 ? 0.084 0.089 0.091 -0.006 -0.005 -0.001 154 GLU   A C    
1893 O O    . GLU   A 114 ? 0.095 0.103 0.097 0.002  0.001  -0.001 154 GLU   A O    
1894 C CB   . GLU   A 114 ? 0.083 0.101 0.095 0.000  -0.002 -0.001 154 GLU   A CB   
1895 C CG   . GLU   A 114 ? 0.101 0.108 0.090 0.000  0.001  -0.004 154 GLU   A CG   
1896 C CD   . GLU   A 114 ? 0.115 0.107 0.096 -0.007 -0.001 -0.002 154 GLU   A CD   
1897 O OE1  . GLU   A 114 ? 0.138 0.116 0.122 0.001  0.010  -0.005 154 GLU   A OE1  
1898 O OE2  . GLU   A 114 ? 0.149 0.111 0.123 0.006  0.020  0.012  154 GLU   A OE2  
1899 H H    . GLU   A 114 ? 0.092 0.092 0.092 0.000  0.000  0.000  154 GLU   A H    
1900 H HA   . GLU   A 114 ? 0.093 0.093 0.093 0.000  0.000  0.000  154 GLU   A HA   
1901 H HB2  . GLU   A 114 ? 0.093 0.093 0.093 0.000  0.000  0.000  154 GLU   A HB2  
1902 H HB3  . GLU   A 114 ? 0.093 0.093 0.093 0.000  0.000  0.000  154 GLU   A HB3  
1903 H HG2  . GLU   A 114 ? 0.100 0.100 0.100 0.000  0.000  0.000  154 GLU   A HG2  
1904 H HG3  . GLU   A 114 ? 0.100 0.100 0.100 0.000  0.000  0.000  154 GLU   A HG3  
1905 N N    . LYS   A 115 ? 0.100 0.115 0.094 0.001  0.000  -0.010 155 LYS   A N    
1906 C CA   . LYS   A 115 ? 0.090 0.118 0.102 0.001  -0.016 -0.007 155 LYS   A CA   
1907 C C    . LYS   A 115 ? 0.103 0.117 0.085 -0.001 -0.010 -0.005 155 LYS   A C    
1908 O O    . LYS   A 115 ? 0.096 0.123 0.102 0.003  -0.014 -0.003 155 LYS   A O    
1909 C CB   . LYS   A 115 ? 0.123 0.148 0.097 0.009  -0.022 -0.009 155 LYS   A CB   
1910 C CG   . LYS   A 115 ? 0.137 0.160 0.114 0.009  -0.024 -0.035 155 LYS   A CG   
1911 C CD   . LYS   A 115 ? 0.184 0.163 0.145 -0.004 -0.023 -0.031 155 LYS   A CD   
1912 C CE   . LYS   A 115 ? 0.223 0.174 0.170 0.003  -0.032 -0.032 155 LYS   A CE   
1913 N NZ   . LYS   A 115 ? 0.266 0.190 0.208 -0.012 -0.073 -0.031 155 LYS   A NZ   
1914 H H    . LYS   A 115 ? 0.103 0.103 0.103 0.000  0.000  0.000  155 LYS   A H    
1915 H HA   . LYS   A 115 ? 0.103 0.103 0.103 0.000  0.000  0.000  155 LYS   A HA   
1916 H HB2  . LYS   A 115 ? 0.123 0.123 0.123 0.000  0.000  0.000  155 LYS   A HB2  
1917 H HB3  . LYS   A 115 ? 0.123 0.123 0.123 0.000  0.000  0.000  155 LYS   A HB3  
1918 H HG2  . LYS   A 115 ? 0.137 0.137 0.137 0.000  0.000  0.000  155 LYS   A HG2  
1919 H HG3  . LYS   A 115 ? 0.137 0.137 0.137 0.000  0.000  0.000  155 LYS   A HG3  
1920 H HD2  . LYS   A 115 ? 0.164 0.164 0.164 0.000  0.000  0.000  155 LYS   A HD2  
1921 H HD3  . LYS   A 115 ? 0.164 0.164 0.164 0.000  0.000  0.000  155 LYS   A HD3  
1922 H HE2  . LYS   A 115 ? 0.189 0.189 0.189 0.000  0.000  0.000  155 LYS   A HE2  
1923 H HE3  . LYS   A 115 ? 0.189 0.189 0.189 0.000  0.000  0.000  155 LYS   A HE3  
1924 H HZ1  . LYS   A 115 ? 0.221 0.221 0.221 0.000  0.000  0.000  155 LYS   A HZ1  
1925 H HZ2  . LYS   A 115 ? 0.221 0.221 0.221 0.000  0.000  0.000  155 LYS   A HZ2  
1926 H HZ3  . LYS   A 115 ? 0.221 0.221 0.221 0.000  0.000  0.000  155 LYS   A HZ3  
1927 N N    . LEU   A 116 ? 0.101 0.111 0.100 0.005  -0.010 0.004  156 LEU   A N    
1928 C CA   . LEU   A 116 ? 0.116 0.108 0.101 0.011  -0.012 0.010  156 LEU   A CA   
1929 C C    . LEU   A 116 ? 0.095 0.108 0.105 -0.001 -0.016 -0.011 156 LEU   A C    
1930 O O    . LEU   A 116 ? 0.101 0.116 0.119 0.006  -0.008 0.002  156 LEU   A O    
1931 C CB   . LEU   A 116 ? 0.141 0.127 0.115 0.002  0.000  0.023  156 LEU   A CB   
1932 C CG   . LEU   A 116 ? 0.193 0.137 0.134 -0.004 0.018  -0.012 156 LEU   A CG   
1933 C CD1  . LEU   A 116 ? 0.257 0.160 0.213 0.054  -0.005 0.007  156 LEU   A CD1  
1934 C CD2  . LEU   A 116 ? 0.219 0.149 0.228 -0.026 0.044  -0.020 156 LEU   A CD2  
1935 H H    . LEU   A 116 ? 0.104 0.104 0.104 0.000  0.000  0.000  156 LEU   A H    
1936 H HA   . LEU   A 116 ? 0.108 0.108 0.108 0.000  0.000  0.000  156 LEU   A HA   
1937 H HB2  . LEU   A 116 ? 0.128 0.128 0.128 0.000  0.000  0.000  156 LEU   A HB2  
1938 H HB3  . LEU   A 116 ? 0.128 0.128 0.128 0.000  0.000  0.000  156 LEU   A HB3  
1939 H HG   . LEU   A 116 ? 0.155 0.155 0.155 0.000  0.000  0.000  156 LEU   A HG   
1940 H HD11 . LEU   A 116 ? 0.210 0.210 0.210 0.000  0.000  0.000  156 LEU   A HD11 
1941 H HD12 . LEU   A 116 ? 0.210 0.210 0.210 0.000  0.000  0.000  156 LEU   A HD12 
1942 H HD13 . LEU   A 116 ? 0.210 0.210 0.210 0.000  0.000  0.000  156 LEU   A HD13 
1943 H HD21 . LEU   A 116 ? 0.199 0.199 0.199 0.000  0.000  0.000  156 LEU   A HD21 
1944 H HD22 . LEU   A 116 ? 0.199 0.199 0.199 0.000  0.000  0.000  156 LEU   A HD22 
1945 H HD23 . LEU   A 116 ? 0.199 0.199 0.199 0.000  0.000  0.000  156 LEU   A HD23 
1946 N N    . PHE   A 117 ? 0.088 0.101 0.094 0.003  -0.008 -0.006 157 PHE   A N    
1947 C CA   . PHE   A 117 ? 0.091 0.102 0.100 0.001  -0.007 -0.011 157 PHE   A CA   
1948 C C    . PHE   A 117 ? 0.078 0.109 0.100 0.006  -0.007 -0.007 157 PHE   A C    
1949 O O    . PHE   A 117 ? 0.077 0.124 0.106 0.001  -0.009 -0.014 157 PHE   A O    
1950 C CB   . PHE   A 117 ? 0.079 0.096 0.099 0.004  -0.002 -0.009 157 PHE   A CB   
1951 C CG   . PHE   A 117 ? 0.074 0.109 0.095 -0.002 -0.007 -0.006 157 PHE   A CG   
1952 C CD1  . PHE   A 117 ? 0.098 0.122 0.095 0.013  -0.008 -0.011 157 PHE   A CD1  
1953 C CD2  . PHE   A 117 ? 0.108 0.117 0.116 -0.001 -0.008 0.003  157 PHE   A CD2  
1954 C CE1  . PHE   A 117 ? 0.104 0.186 0.097 0.021  -0.005 -0.013 157 PHE   A CE1  
1955 C CE2  . PHE   A 117 ? 0.114 0.137 0.138 -0.009 -0.012 0.034  157 PHE   A CE2  
1956 C CZ   . PHE   A 117 ? 0.109 0.197 0.097 0.008  -0.003 0.019  157 PHE   A CZ   
1957 H H    . PHE   A 117 ? 0.094 0.094 0.094 0.000  0.000  0.000  157 PHE   A H    
1958 H HA   . PHE   A 117 ? 0.098 0.098 0.098 0.000  0.000  0.000  157 PHE   A HA   
1959 H HB2  . PHE   A 117 ? 0.091 0.091 0.091 0.000  0.000  0.000  157 PHE   A HB2  
1960 H HB3  . PHE   A 117 ? 0.091 0.091 0.091 0.000  0.000  0.000  157 PHE   A HB3  
1961 H HD1  . PHE   A 117 ? 0.105 0.105 0.105 0.000  0.000  0.000  157 PHE   A HD1  
1962 H HD2  . PHE   A 117 ? 0.114 0.114 0.114 0.000  0.000  0.000  157 PHE   A HD2  
1963 H HE1  . PHE   A 117 ? 0.129 0.129 0.129 0.000  0.000  0.000  157 PHE   A HE1  
1964 H HE2  . PHE   A 117 ? 0.130 0.130 0.130 0.000  0.000  0.000  157 PHE   A HE2  
1965 H HZ   . PHE   A 117 ? 0.134 0.134 0.134 0.000  0.000  0.000  157 PHE   A HZ   
1966 N N    . LEU   A 118 ? 0.095 0.109 0.095 -0.002 0.001  -0.008 158 LEU   A N    
1967 C CA   . LEU   A 118 ? 0.093 0.117 0.102 -0.003 -0.002 -0.012 158 LEU   A CA   
1968 C C    . LEU   A 118 ? 0.099 0.135 0.101 -0.004 -0.004 -0.020 158 LEU   A C    
1969 O O    . LEU   A 118 ? 0.101 0.146 0.126 -0.007 0.004  -0.022 158 LEU   A O    
1970 C CB   . LEU   A 118 ? 0.095 0.123 0.114 -0.008 -0.001 -0.006 158 LEU   A CB   
1971 C CG   . LEU   A 118 ? 0.103 0.119 0.130 -0.007 0.001  0.002  158 LEU   A CG   
1972 C CD1  . LEU   A 118 ? 0.134 0.126 0.174 0.005  -0.020 -0.013 158 LEU   A CD1  
1973 C CD2  . LEU   A 118 ? 0.135 0.149 0.155 -0.011 0.009  0.033  158 LEU   A CD2  
1974 H H    . LEU   A 118 ? 0.100 0.100 0.100 0.000  0.000  0.000  158 LEU   A H    
1975 H HA   . LEU   A 118 ? 0.104 0.104 0.104 0.000  0.000  0.000  158 LEU   A HA   
1976 H HB2  . LEU   A 118 ? 0.111 0.111 0.111 0.000  0.000  0.000  158 LEU   A HB2  
1977 H HB3  . LEU   A 118 ? 0.111 0.111 0.111 0.000  0.000  0.000  158 LEU   A HB3  
1978 H HG   . LEU   A 118 ? 0.117 0.117 0.117 0.000  0.000  0.000  158 LEU   A HG   
1979 H HD11 . LEU   A 118 ? 0.145 0.145 0.145 0.000  0.000  0.000  158 LEU   A HD11 
1980 H HD12 . LEU   A 118 ? 0.145 0.145 0.145 0.000  0.000  0.000  158 LEU   A HD12 
1981 H HD13 . LEU   A 118 ? 0.145 0.145 0.145 0.000  0.000  0.000  158 LEU   A HD13 
1982 H HD21 . LEU   A 118 ? 0.146 0.146 0.146 0.000  0.000  0.000  158 LEU   A HD21 
1983 H HD22 . LEU   A 118 ? 0.146 0.146 0.146 0.000  0.000  0.000  158 LEU   A HD22 
1984 H HD23 . LEU   A 118 ? 0.146 0.146 0.146 0.000  0.000  0.000  158 LEU   A HD23 
1985 N N    . GLN   A 119 ? 0.088 0.123 0.107 0.004  -0.011 -0.015 159 GLN   A N    
1986 C CA   . GLN   A 119 ? 0.101 0.139 0.116 0.010  -0.018 -0.015 159 GLN   A CA   
1987 C C    . GLN   A 119 ? 0.091 0.148 0.124 0.007  -0.011 -0.014 159 GLN   A C    
1988 O O    . GLN   A 119 ? 0.097 0.154 0.143 0.011  -0.013 -0.021 159 GLN   A O    
1989 C CB   . GLN   A 119 ? 0.134 0.157 0.131 0.034  -0.024 -0.007 159 GLN   A CB   
1990 C CG   . GLN   A 119 ? 0.169 0.254 0.196 0.059  -0.048 0.022  159 GLN   A CG   
1991 C CD   . GLN   A 119 ? 0.213 0.261 0.173 -0.006 0.003  -0.028 159 GLN   A CD   
1992 O OE1  . GLN   A 119 ? 0.221 0.371 0.269 0.090  -0.028 0.011  159 GLN   A OE1  
1993 N NE2  . GLN   A 119 ? 0.216 0.209 0.211 0.024  0.007  -0.056 159 GLN   A NE2  
1994 H H    . GLN   A 119 ? 0.106 0.106 0.106 0.000  0.000  0.000  159 GLN   A H    
1995 H HA   . GLN   A 119 ? 0.119 0.119 0.119 0.000  0.000  0.000  159 GLN   A HA   
1996 H HB2  . GLN   A 119 ? 0.141 0.141 0.141 0.000  0.000  0.000  159 GLN   A HB2  
1997 H HB3  . GLN   A 119 ? 0.141 0.141 0.141 0.000  0.000  0.000  159 GLN   A HB3  
1998 H HG2  . GLN   A 119 ? 0.206 0.206 0.206 0.000  0.000  0.000  159 GLN   A HG2  
1999 H HG3  . GLN   A 119 ? 0.206 0.206 0.206 0.000  0.000  0.000  159 GLN   A HG3  
2000 H HE21 . GLN   A 119 ? 0.212 0.212 0.212 0.000  0.000  0.000  159 GLN   A HE21 
2001 H HE22 . GLN   A 119 ? 0.212 0.212 0.212 0.000  0.000  0.000  159 GLN   A HE22 
2002 N N    . LYS   A 120 ? 0.094 0.127 0.116 0.011  -0.020 -0.009 160 LYS   A N    
2003 C CA   . LYS   A 120 ? 0.099 0.118 0.132 0.015  -0.021 -0.018 160 LYS   A CA   
2004 C C    . LYS   A 120 ? 0.092 0.125 0.118 0.001  -0.012 -0.036 160 LYS   A C    
2005 O O    . LYS   A 120 ? 0.106 0.142 0.139 0.009  0.000  -0.029 160 LYS   A O    
2006 C CB   . LYS   A 120 ? 0.089 0.144 0.137 0.000  -0.010 -0.022 160 LYS   A CB   
2007 C CG   . LYS   A 120 ? 0.111 0.146 0.157 -0.013 0.008  -0.029 160 LYS   A CG   
2008 C CD   . LYS   A 120 ? 0.145 0.149 0.174 -0.004 -0.005 0.004  160 LYS   A CD   
2009 C CE   . LYS   A 120 ? 0.206 0.175 0.262 -0.021 0.033  0.023  160 LYS   A CE   
2010 N NZ   . LYS   A 120 ? 0.280 0.235 0.264 -0.018 0.014  0.047  160 LYS   A NZ   
2011 H H    . LYS   A 120 ? 0.112 0.112 0.112 0.000  0.000  0.000  160 LYS   A H    
2012 H HA   . LYS   A 120 ? 0.116 0.116 0.116 0.000  0.000  0.000  160 LYS   A HA   
2013 H HB2  . LYS   A 120 ? 0.123 0.123 0.123 0.000  0.000  0.000  160 LYS   A HB2  
2014 H HB3  . LYS   A 120 ? 0.123 0.123 0.123 0.000  0.000  0.000  160 LYS   A HB3  
2015 H HG2  . LYS   A 120 ? 0.138 0.138 0.138 0.000  0.000  0.000  160 LYS   A HG2  
2016 H HG3  . LYS   A 120 ? 0.138 0.138 0.138 0.000  0.000  0.000  160 LYS   A HG3  
2017 H HD2  . LYS   A 120 ? 0.156 0.156 0.156 0.000  0.000  0.000  160 LYS   A HD2  
2018 H HD3  . LYS   A 120 ? 0.156 0.156 0.156 0.000  0.000  0.000  160 LYS   A HD3  
2019 H HE2  . LYS   A 120 ? 0.214 0.214 0.214 0.000  0.000  0.000  160 LYS   A HE2  
2020 H HE3  . LYS   A 120 ? 0.214 0.214 0.214 0.000  0.000  0.000  160 LYS   A HE3  
2021 H HZ1  . LYS   A 120 ? 0.260 0.260 0.260 0.000  0.000  0.000  160 LYS   A HZ1  
2022 H HZ2  . LYS   A 120 ? 0.260 0.260 0.260 0.000  0.000  0.000  160 LYS   A HZ2  
2023 H HZ3  . LYS   A 120 ? 0.260 0.260 0.260 0.000  0.000  0.000  160 LYS   A HZ3  
2024 N N    . ILE   A 121 ? 0.093 0.128 0.122 0.003  0.000  -0.014 161 ILE   A N    
2025 C CA   . ILE   A 121 ? 0.097 0.161 0.129 -0.003 0.000  0.000  161 ILE   A CA   
2026 C C    . ILE   A 121 ? 0.101 0.148 0.144 0.003  0.010  -0.016 161 ILE   A C    
2027 O O    . ILE   A 121 ? 0.116 0.187 0.157 -0.007 0.025  -0.016 161 ILE   A O    
2028 C CB   . ILE   A 121 ? 0.110 0.185 0.147 -0.002 0.009  0.010  161 ILE   A CB   
2029 C CG1  . ILE   A 121 ? 0.119 0.178 0.135 -0.009 0.013  0.020  161 ILE   A CG1  
2030 C CG2  . ILE   A 121 ? 0.131 0.171 0.202 -0.008 0.002  0.014  161 ILE   A CG2  
2031 C CD1  . ILE   A 121 ? 0.118 0.186 0.151 -0.001 0.002  0.008  161 ILE   A CD1  
2032 H H    . ILE   A 121 ? 0.114 0.114 0.114 0.000  0.000  0.000  161 ILE   A H    
2033 H HA   . ILE   A 121 ? 0.129 0.129 0.129 0.000  0.000  0.000  161 ILE   A HA   
2034 H HB   . ILE   A 121 ? 0.147 0.147 0.147 0.000  0.000  0.000  161 ILE   A HB   
2035 H HG12 . ILE   A 121 ? 0.144 0.144 0.144 0.000  0.000  0.000  161 ILE   A HG12 
2036 H HG13 . ILE   A 121 ? 0.144 0.144 0.144 0.000  0.000  0.000  161 ILE   A HG13 
2037 H HG21 . ILE   A 121 ? 0.168 0.168 0.168 0.000  0.000  0.000  161 ILE   A HG21 
2038 H HG22 . ILE   A 121 ? 0.168 0.168 0.168 0.000  0.000  0.000  161 ILE   A HG22 
2039 H HG23 . ILE   A 121 ? 0.168 0.168 0.168 0.000  0.000  0.000  161 ILE   A HG23 
2040 H HD11 . ILE   A 121 ? 0.152 0.152 0.152 0.000  0.000  0.000  161 ILE   A HD11 
2041 H HD12 . ILE   A 121 ? 0.152 0.152 0.152 0.000  0.000  0.000  161 ILE   A HD12 
2042 H HD13 . ILE   A 121 ? 0.152 0.152 0.152 0.000  0.000  0.000  161 ILE   A HD13 
2043 N N    . ASN   A 122 ? 0.094 0.165 0.143 -0.006 0.005  -0.016 162 ASN   A N    
2044 C CA   . ASN   A 122 ? 0.095 0.180 0.161 -0.016 0.005  -0.034 162 ASN   A CA   
2045 C C    . ASN   A 122 ? 0.097 0.183 0.172 -0.007 -0.003 -0.040 162 ASN   A C    
2046 O O    . ASN   A 122 ? 0.094 0.241 0.273 -0.008 0.010  -0.080 162 ASN   A O    
2047 C CB   . ASN   A 122 ? 0.123 0.193 0.173 -0.026 -0.002 -0.048 162 ASN   A CB   
2048 C CG   . ASN   A 122 ? 0.172 0.209 0.194 -0.035 0.010  -0.039 162 ASN   A CG   
2049 O OD1  . ASN   A 122 ? 0.227 0.257 0.259 -0.063 0.076  -0.073 162 ASN   A OD1  
2050 N ND2  . ASN   A 122 ? 0.142 0.304 0.223 -0.022 -0.042 0.004  162 ASN   A ND2  
2051 H H    . ASN   A 122 ? 0.134 0.134 0.134 0.000  0.000  0.000  162 ASN   A H    
2052 H HA   . ASN   A 122 ? 0.145 0.145 0.145 0.000  0.000  0.000  162 ASN   A HA   
2053 H HB2  . ASN   A 122 ? 0.163 0.163 0.163 0.000  0.000  0.000  162 ASN   A HB2  
2054 H HB3  . ASN   A 122 ? 0.163 0.163 0.163 0.000  0.000  0.000  162 ASN   A HB3  
2055 H HD21 . ASN   A 122 ? 0.223 0.223 0.223 0.000  0.000  0.000  162 ASN   A HD21 
2056 H HD22 . ASN   A 122 ? 0.223 0.223 0.223 0.000  0.000  0.000  162 ASN   A HD22 
2057 N N    . GLU   A 123 ? 0.110 0.187 0.180 0.009  0.006  -0.016 163 GLU   A N    
2058 C CA   . GLU   A 123 ? 0.117 0.190 0.183 0.007  -0.026 -0.022 163 GLU   A CA   
2059 C C    . GLU   A 123 ? 0.108 0.190 0.186 0.002  0.008  -0.025 163 GLU   A C    
2060 O O    . GLU   A 123 ? 0.155 0.188 0.208 0.006  -0.002 -0.014 163 GLU   A O    
2061 C CB   . GLU   A 123 ? 0.167 0.200 0.195 0.008  -0.045 -0.021 163 GLU   A CB   
2062 C CG   . GLU   A 123 ? 0.236 0.240 0.209 0.017  -0.066 -0.019 163 GLU   A CG   
2063 C CD   . GLU   A 123 ? 0.270 0.241 0.212 0.040  -0.093 -0.012 163 GLU   A CD   
2064 O OE1  . GLU   A 123 ? 0.285 0.275 0.186 0.000  -0.041 -0.003 163 GLU   A OE1  
2065 O OE2  . GLU   A 123 ? 0.332 0.338 0.221 0.041  -0.151 -0.002 163 GLU   A OE2  
2066 H H    . GLU   A 123 ? 0.159 0.159 0.159 0.000  0.000  0.000  163 GLU   A H    
2067 H HA   . GLU   A 123 ? 0.163 0.163 0.163 0.000  0.000  0.000  163 GLU   A HA   
2068 H HB2  . GLU   A 123 ? 0.187 0.187 0.187 0.000  0.000  0.000  163 GLU   A HB2  
2069 H HB3  . GLU   A 123 ? 0.187 0.187 0.187 0.000  0.000  0.000  163 GLU   A HB3  
2070 H HG2  . GLU   A 123 ? 0.228 0.228 0.228 0.000  0.000  0.000  163 GLU   A HG2  
2071 H HG3  . GLU   A 123 ? 0.228 0.228 0.228 0.000  0.000  0.000  163 GLU   A HG3  
2072 N N    . LEU   A 124 ? 0.119 0.160 0.167 0.000  0.013  -0.039 164 LEU   A N    
2073 C CA   . LEU   A 124 ? 0.122 0.187 0.178 -0.014 0.020  -0.042 164 LEU   A CA   
2074 C C    . LEU   A 124 ? 0.138 0.164 0.185 -0.031 0.040  -0.038 164 LEU   A C    
2075 O O    . LEU   A 124 ? 0.120 0.176 0.214 -0.032 0.016  -0.038 164 LEU   A O    
2076 C CB   . LEU   A 124 ? 0.178 0.191 0.181 0.002  0.026  -0.026 164 LEU   A CB   
2077 C CG   . LEU   A 124 ? 0.187 0.203 0.160 -0.021 0.030  -0.018 164 LEU   A CG   
2078 C CD1  . LEU   A 124 ? 0.190 0.256 0.177 -0.039 -0.008 0.006  164 LEU   A CD1  
2079 C CD2  . LEU   A 124 ? 0.202 0.266 0.195 0.011  -0.002 0.019  164 LEU   A CD2  
2080 H H    . LEU   A 124 ? 0.149 0.149 0.149 0.000  0.000  0.000  164 LEU   A H    
2081 H HA   . LEU   A 124 ? 0.162 0.162 0.162 0.000  0.000  0.000  164 LEU   A HA   
2082 H HB2  . LEU   A 124 ? 0.183 0.183 0.183 0.000  0.000  0.000  164 LEU   A HB2  
2083 H HB3  . LEU   A 124 ? 0.183 0.183 0.183 0.000  0.000  0.000  164 LEU   A HB3  
2084 H HG   . LEU   A 124 ? 0.183 0.183 0.183 0.000  0.000  0.000  164 LEU   A HG   
2085 H HD11 . LEU   A 124 ? 0.208 0.208 0.208 0.000  0.000  0.000  164 LEU   A HD11 
2086 H HD12 . LEU   A 124 ? 0.208 0.208 0.208 0.000  0.000  0.000  164 LEU   A HD12 
2087 H HD13 . LEU   A 124 ? 0.208 0.208 0.208 0.000  0.000  0.000  164 LEU   A HD13 
2088 H HD21 . LEU   A 124 ? 0.221 0.221 0.221 0.000  0.000  0.000  164 LEU   A HD21 
2089 H HD22 . LEU   A 124 ? 0.221 0.221 0.221 0.000  0.000  0.000  164 LEU   A HD22 
2090 H HD23 . LEU   A 124 ? 0.221 0.221 0.221 0.000  0.000  0.000  164 LEU   A HD23 
2091 N N    . PRO   A 125 ? 0.142 0.175 0.200 -0.041 0.047  -0.040 165 PRO   A N    
2092 C CA   . PRO   A 125 ? 0.177 0.191 0.214 -0.030 0.057  -0.057 165 PRO   A CA   
2093 C C    . PRO   A 125 ? 0.178 0.184 0.209 0.002  0.053  -0.033 165 PRO   A C    
2094 O O    . PRO   A 125 ? 0.183 0.316 0.190 -0.026 0.034  0.007  165 PRO   A O    
2095 C CB   . PRO   A 125 ? 0.264 0.217 0.276 -0.058 0.070  -0.040 165 PRO   A CB   
2096 C CG   . PRO   A 125 ? 0.228 0.187 0.302 -0.036 -0.001 -0.071 165 PRO   A CG   
2097 C CD   . PRO   A 125 ? 0.186 0.197 0.239 -0.064 0.044  -0.061 165 PRO   A CD   
2098 H HA   . PRO   A 125 ? 0.194 0.194 0.194 0.000  0.000  0.000  165 PRO   A HA   
2099 H HB2  . PRO   A 125 ? 0.252 0.252 0.252 0.000  0.000  0.000  165 PRO   A HB2  
2100 H HB3  . PRO   A 125 ? 0.252 0.252 0.252 0.000  0.000  0.000  165 PRO   A HB3  
2101 H HG2  . PRO   A 125 ? 0.239 0.239 0.239 0.000  0.000  0.000  165 PRO   A HG2  
2102 H HG3  . PRO   A 125 ? 0.239 0.239 0.239 0.000  0.000  0.000  165 PRO   A HG3  
2103 H HD2  . PRO   A 125 ? 0.207 0.207 0.207 0.000  0.000  0.000  165 PRO   A HD2  
2104 H HD3  . PRO   A 125 ? 0.207 0.207 0.207 0.000  0.000  0.000  165 PRO   A HD3  
2105 N N    . THR   A 126 ? 0.187 0.218 0.259 0.021  0.078  0.015  166 THR   A N    
2106 C CA   . THR   A 126 ? 0.180 0.193 0.230 -0.018 0.096  0.003  166 THR   A CA   
2107 C C    . THR   A 126 ? 0.241 0.230 0.310 -0.048 0.078  -0.081 166 THR   A C    
2108 O O    . THR   A 126 ? 0.347 0.268 0.264 0.032  0.018  -0.036 166 THR   A O    
2109 C CB   . THR   A 126 ? 0.200 0.387 0.379 -0.028 0.113  0.007  166 THR   A CB   
2110 O OG1  . THR   A 126 ? 0.304 0.425 0.521 -0.093 0.027  -0.036 166 THR   A OG1  
2111 C CG2  . THR   A 126 ? 0.222 0.454 0.385 -0.079 0.183  0.022  166 THR   A CG2  
2112 H H    . THR   A 126 ? 0.221 0.221 0.221 0.000  0.000  0.000  166 THR   A H    
2113 H HA   . THR   A 126 ? 0.201 0.201 0.201 0.000  0.000  0.000  166 THR   A HA   
2114 H HB   . THR   A 126 ? 0.322 0.322 0.322 0.000  0.000  0.000  166 THR   A HB   
2115 H HG1  . THR   A 126 ? 0.417 0.417 0.417 0.000  0.000  0.000  166 THR   A HG1  
2116 H HG21 . THR   A 126 ? 0.354 0.354 0.354 0.000  0.000  0.000  166 THR   A HG21 
2117 H HG22 . THR   A 126 ? 0.354 0.354 0.354 0.000  0.000  0.000  166 THR   A HG22 
2118 H HG23 . THR   A 126 ? 0.354 0.354 0.354 0.000  0.000  0.000  166 THR   A HG23 
2119 C C1   . A1LZB B .   ? 0.119 0.115 0.117 0.008  0.038  -0.014 201 A1LZB A C1   
2120 N N1   . A1LZB B .   ? 0.122 0.112 0.103 0.001  0.026  -0.005 201 A1LZB A N1   
2121 C C2   . A1LZB B .   ? 0.117 0.113 0.110 0.007  0.017  0.006  201 A1LZB A C2   
2122 C C3   . A1LZB B .   ? 0.125 0.129 0.108 0.006  0.014  -0.001 201 A1LZB A C3   
2123 C C4   . A1LZB B .   ? 0.116 0.132 0.127 0.001  0.019  0.006  201 A1LZB A C4   
2124 C C5   . A1LZB B .   ? 0.116 0.130 0.108 0.004  0.016  -0.008 201 A1LZB A C5   
2125 C C6   . A1LZB B .   ? 0.125 0.112 0.114 0.009  0.017  -0.002 201 A1LZB A C6   
2126 C C7   . A1LZB B .   ? 0.122 0.104 0.111 0.006  0.023  -0.004 201 A1LZB A C7   
2127 O O1   . A1LZB B .   ? 0.141 0.109 0.111 0.004  0.034  -0.011 201 A1LZB A O1   
2128 C C8   . A1LZB B .   ? 0.141 0.125 0.119 0.007  0.016  -0.010 201 A1LZB A C8   
2129 N N2   . A1LZB B .   ? 0.125 0.137 0.129 0.017  0.013  -0.019 201 A1LZB A N2   
2130 N N3   . A1LZB B .   ? 0.119 0.140 0.117 0.019  0.012  -0.012 201 A1LZB A N3   
2131 C C9   . A1LZB B .   ? 0.111 0.171 0.145 0.032  0.017  -0.025 201 A1LZB A C9   
2132 C C10  . A1LZB B .   ? 0.124 0.180 0.126 0.021  0.026  -0.025 201 A1LZB A C10  
2133 C C11  . A1LZB B .   ? 0.120 0.188 0.139 -0.005 0.025  -0.036 201 A1LZB A C11  
2134 C C12  . A1LZB B .   ? 0.127 0.185 0.127 -0.003 0.044  -0.016 201 A1LZB A C12  
2135 N N4   . A1LZB B .   ? 0.113 0.146 0.138 -0.004 0.038  -0.015 201 A1LZB A N4   
2136 C C13  . A1LZB B .   ? 0.123 0.153 0.104 -0.006 0.033  -0.013 201 A1LZB A C13  
2137 C C14  . A1LZB B .   ? 0.127 0.141 0.124 0.001  0.030  -0.001 201 A1LZB A C14  
2138 S S1   . A1LZB B .   ? 0.134 0.145 0.115 0.003  0.035  -0.003 201 A1LZB A S1   
2139 C C15  . A1LZB B .   ? 0.123 0.161 0.120 0.001  0.037  -0.017 201 A1LZB A C15  
2140 O O2   . A1LZB B .   ? 0.181 0.137 0.130 -0.003 0.038  0.016  201 A1LZB A O2   
2141 O O3   . A1LZB B .   ? 0.132 0.148 0.122 0.006  0.031  -0.009 201 A1LZB A O3   
2142 C C16  . A1LZB B .   ? 0.138 0.152 0.134 -0.008 0.014  0.014  201 A1LZB A C16  
2143 C C17  . A1LZB B .   ? 0.180 0.185 0.146 -0.032 0.017  0.036  201 A1LZB A C17  
2144 C C18  . A1LZB B .   ? 0.165 0.153 0.156 -0.031 0.002  0.023  201 A1LZB A C18  
2145 C C19  . A1LZB B .   ? 0.139 0.145 0.142 -0.007 -0.001 0.009  201 A1LZB A C19  
2146 C C20  . A1LZB B .   ? 0.141 0.125 0.141 -0.005 0.001  0.015  201 A1LZB A C20  
2147 O O4   . A1LZB B .   ? 0.153 0.180 0.115 -0.019 0.014  0.021  201 A1LZB A O4   
2148 C C21  . A1LZB B .   ? 0.161 0.190 0.137 -0.025 0.022  0.027  201 A1LZB A C21  
2149 C C22  . A1LZB B .   ? 0.157 0.186 0.135 -0.010 0.035  0.012  201 A1LZB A C22  
2150 C C23  . A1LZB B .   ? 0.182 0.159 0.119 -0.018 0.054  -0.002 201 A1LZB A C23  
2151 C C24  . A1LZB B .   ? 0.135 0.190 0.137 0.015  0.025  -0.005 201 A1LZB A C24  
2152 H H3   . A1LZB B .   ? 0.117 0.117 0.117 0.000  0.000  0.000  201 A1LZB A H3   
2153 H H1   . A1LZB B .   ? 0.117 0.117 0.117 0.000  0.000  0.000  201 A1LZB A H1   
2154 H H2   . A1LZB B .   ? 0.117 0.117 0.117 0.000  0.000  0.000  201 A1LZB A H2   
2155 H H4   . A1LZB B .   ? 0.113 0.113 0.113 0.000  0.000  0.000  201 A1LZB A H4   
2156 H H5   . A1LZB B .   ? 0.128 0.128 0.128 0.000  0.000  0.000  201 A1LZB A H5   
2157 H H6   . A1LZB B .   ? 0.142 0.142 0.142 0.000  0.000  0.000  201 A1LZB A H6   
2158 H H7   . A1LZB B .   ? 0.142 0.142 0.142 0.000  0.000  0.000  201 A1LZB A H7   
2159 H H8   . A1LZB B .   ? 0.143 0.143 0.143 0.000  0.000  0.000  201 A1LZB A H8   
2160 H H9   . A1LZB B .   ? 0.149 0.149 0.149 0.000  0.000  0.000  201 A1LZB A H9   
2161 H H10  . A1LZB B .   ? 0.149 0.149 0.149 0.000  0.000  0.000  201 A1LZB A H10  
2162 H H11  . A1LZB B .   ? 0.146 0.146 0.146 0.000  0.000  0.000  201 A1LZB A H11  
2163 H H12  . A1LZB B .   ? 0.146 0.146 0.146 0.000  0.000  0.000  201 A1LZB A H12  
2164 H H13  . A1LZB B .   ? 0.127 0.127 0.127 0.000  0.000  0.000  201 A1LZB A H13  
2165 H H14  . A1LZB B .   ? 0.127 0.127 0.127 0.000  0.000  0.000  201 A1LZB A H14  
2166 H H16  . A1LZB B .   ? 0.131 0.131 0.131 0.000  0.000  0.000  201 A1LZB A H16  
2167 H H15  . A1LZB B .   ? 0.131 0.131 0.131 0.000  0.000  0.000  201 A1LZB A H15  
2168 H H19  . A1LZB B .   ? 0.135 0.135 0.135 0.000  0.000  0.000  201 A1LZB A H19  
2169 H H17  . A1LZB B .   ? 0.135 0.135 0.135 0.000  0.000  0.000  201 A1LZB A H17  
2170 H H18  . A1LZB B .   ? 0.135 0.135 0.135 0.000  0.000  0.000  201 A1LZB A H18  
2171 H H20  . A1LZB B .   ? 0.170 0.170 0.170 0.000  0.000  0.000  201 A1LZB A H20  
2172 H H21  . A1LZB B .   ? 0.158 0.158 0.158 0.000  0.000  0.000  201 A1LZB A H21  
2173 H H22  . A1LZB B .   ? 0.142 0.142 0.142 0.000  0.000  0.000  201 A1LZB A H22  
2174 H H23  . A1LZB B .   ? 0.136 0.136 0.136 0.000  0.000  0.000  201 A1LZB A H23  
2175 H H24  . A1LZB B .   ? 0.163 0.163 0.163 0.000  0.000  0.000  201 A1LZB A H24  
2176 H H25  . A1LZB B .   ? 0.163 0.163 0.163 0.000  0.000  0.000  201 A1LZB A H25  
2177 H H26  . A1LZB B .   ? 0.159 0.159 0.159 0.000  0.000  0.000  201 A1LZB A H26  
2178 H H27  . A1LZB B .   ? 0.153 0.153 0.153 0.000  0.000  0.000  201 A1LZB A H27  
2179 H H28  . A1LZB B .   ? 0.153 0.153 0.153 0.000  0.000  0.000  201 A1LZB A H28  
2180 H H30  . A1LZB B .   ? 0.154 0.154 0.154 0.000  0.000  0.000  201 A1LZB A H30  
2181 H H29  . A1LZB B .   ? 0.154 0.154 0.154 0.000  0.000  0.000  201 A1LZB A H29  
2182 O O    . HOH   C .   ? 0.559 0.542 0.684 0.076  -0.027 0.161  301 HOH   A O    
2183 O O    . HOH   C .   ? 0.349 0.257 0.272 -0.012 0.041  -0.048 302 HOH   A O    
2184 O O    . HOH   C .   ? 0.280 0.310 0.329 -0.043 0.087  0.069  303 HOH   A O    
2185 O O    . HOH   C .   ? 0.417 0.326 0.246 0.012  -0.079 -0.026 304 HOH   A O    
2186 O O    . HOH   C .   ? 0.111 0.103 0.106 -0.004 0.005  -0.009 305 HOH   A O    
2187 O O    . HOH   C .   ? 0.349 0.235 0.730 0.054  -0.140 0.017  306 HOH   A O    
2188 O O    . HOH   C .   ? 0.224 0.195 0.300 -0.014 0.043  0.024  307 HOH   A O    
2189 O O    . HOH   C .   ? 0.515 0.303 0.466 0.001  0.139  0.024  308 HOH   A O    
2190 O O    . HOH   C .   ? 0.218 0.271 0.380 0.020  0.064  0.077  309 HOH   A O    
2191 O O    . HOH   C .   ? 0.279 0.237 0.196 -0.011 -0.076 0.044  310 HOH   A O    
2192 O O    . HOH   C .   ? 0.199 0.207 0.142 0.002  0.043  0.008  311 HOH   A O    
2193 O O    . HOH   C .   ? 0.221 0.305 0.188 0.069  -0.030 0.002  312 HOH   A O    
2194 O O    . HOH   C .   ? 0.207 0.170 0.133 -0.071 -0.028 0.044  313 HOH   A O    
2195 O O    . HOH   C .   ? 0.263 0.153 0.111 0.006  -0.009 -0.004 314 HOH   A O    
2196 O O    . HOH   C .   ? 0.147 0.196 0.140 -0.067 0.033  -0.049 315 HOH   A O    
2197 O O    . HOH   C .   ? 0.281 0.318 0.346 0.056  0.041  0.097  316 HOH   A O    
2198 O O    . HOH   C .   ? 0.157 0.150 0.201 -0.020 0.053  -0.061 317 HOH   A O    
2199 O O    . HOH   C .   ? 0.269 0.142 0.175 0.033  -0.015 -0.004 318 HOH   A O    
2200 O O    . HOH   C .   ? 0.174 0.177 0.187 0.010  0.056  -0.008 319 HOH   A O    
2201 O O    . HOH   C .   ? 0.161 0.225 0.242 -0.053 0.022  0.057  320 HOH   A O    
2202 O O    . HOH   C .   ? 0.240 0.457 0.289 -0.160 0.036  -0.033 321 HOH   A O    
2203 O O    . HOH   C .   ? 0.168 0.186 0.234 -0.032 -0.030 -0.013 322 HOH   A O    
2204 O O    . HOH   C .   ? 0.269 0.315 0.288 0.093  0.081  0.018  323 HOH   A O    
2205 O O    . HOH   C .   ? 0.216 0.246 0.223 0.001  0.021  -0.037 324 HOH   A O    
2206 O O    . HOH   C .   ? 0.189 0.150 0.140 0.000  -0.037 0.005  325 HOH   A O    
2207 O O    . HOH   C .   ? 0.222 0.236 0.240 0.030  -0.043 0.003  326 HOH   A O    
2208 O O    . HOH   C .   ? 0.366 0.332 0.300 0.131  -0.081 -0.015 327 HOH   A O    
2209 O O    . HOH   C .   ? 0.326 0.231 0.651 0.009  0.145  -0.011 328 HOH   A O    
2210 O O    . HOH   C .   ? 0.212 0.150 0.148 0.034  0.069  0.010  329 HOH   A O    
2211 O O    . HOH   C .   ? 0.163 0.293 0.118 -0.017 0.021  -0.001 330 HOH   A O    
2212 O O    . HOH   C .   ? 0.212 0.384 0.220 0.026  0.051  -0.005 331 HOH   A O    
2213 O O    . HOH   C .   ? 0.121 0.143 0.136 0.001  -0.005 0.007  332 HOH   A O    
2214 O O    . HOH   C .   ? 0.353 0.186 0.265 -0.019 -0.002 0.025  333 HOH   A O    
2215 O O    . HOH   C .   ? 0.160 0.166 0.123 0.008  -0.030 0.004  334 HOH   A O    
2216 O O    . HOH   C .   ? 0.227 0.347 0.276 0.044  -0.119 -0.084 335 HOH   A O    
2217 O O    . HOH   C .   ? 0.353 0.365 0.276 -0.073 0.120  -0.086 336 HOH   A O    
2218 O O    . HOH   C .   ? 0.283 0.299 0.220 0.101  0.020  0.042  337 HOH   A O    
2219 O O    . HOH   C .   ? 0.234 0.310 0.151 0.088  -0.010 0.002  338 HOH   A O    
2220 O O    . HOH   C .   ? 0.460 0.392 0.322 -0.169 0.156  -0.074 339 HOH   A O    
2221 O O    . HOH   C .   ? 0.260 0.154 0.327 0.041  0.161  0.039  340 HOH   A O    
2222 O O    . HOH   C .   ? 0.146 0.160 0.123 -0.018 -0.018 -0.022 341 HOH   A O    
2223 O O    . HOH   C .   ? 0.339 0.360 0.211 0.077  -0.036 0.021  342 HOH   A O    
2224 O O    . HOH   C .   ? 0.198 0.230 0.194 0.022  0.014  -0.017 343 HOH   A O    
2225 O O    . HOH   C .   ? 0.203 0.319 0.312 -0.031 -0.061 -0.082 344 HOH   A O    
2226 O O    . HOH   C .   ? 0.147 0.209 0.170 0.033  0.004  -0.015 345 HOH   A O    
2227 O O    . HOH   C .   ? 0.118 0.129 0.113 0.009  0.010  0.009  346 HOH   A O    
2228 O O    . HOH   C .   ? 0.164 0.190 0.139 -0.047 0.001  -0.020 347 HOH   A O    
2229 O O    . HOH   C .   ? 0.200 0.215 0.542 -0.027 -0.010 0.104  348 HOH   A O    
2230 O O    . HOH   C .   ? 0.230 0.212 0.261 -0.035 0.056  0.000  349 HOH   A O    
2231 O O    . HOH   C .   ? 0.135 0.122 0.137 0.004  0.012  -0.003 350 HOH   A O    
2232 O O    . HOH   C .   ? 0.270 0.435 0.280 0.028  -0.032 -0.001 351 HOH   A O    
2233 O O    . HOH   C .   ? 0.229 0.207 0.198 -0.009 0.065  0.002  352 HOH   A O    
2234 O O    . HOH   C .   ? 0.242 0.245 0.306 -0.055 0.073  0.049  353 HOH   A O    
2235 O O    . HOH   C .   ? 0.114 0.117 0.115 0.001  0.009  -0.006 354 HOH   A O    
2236 O O    . HOH   C .   ? 0.303 0.234 0.331 -0.047 0.055  -0.027 355 HOH   A O    
2237 O O    . HOH   C .   ? 0.201 0.259 0.260 -0.030 0.094  -0.040 356 HOH   A O    
2238 O O    . HOH   C .   ? 0.395 0.388 0.226 0.074  -0.094 -0.033 357 HOH   A O    
2239 O O    . HOH   C .   ? 0.130 0.117 0.126 -0.016 -0.008 0.009  358 HOH   A O    
2240 O O    . HOH   C .   ? 0.285 0.382 0.161 0.025  0.007  0.076  359 HOH   A O    
2241 O O    . HOH   C .   ? 0.368 0.239 0.226 0.015  -0.012 -0.016 360 HOH   A O    
2242 O O    . HOH   C .   ? 0.181 0.219 0.290 0.007  0.043  -0.051 361 HOH   A O    
2243 O O    . HOH   C .   ? 0.368 0.276 0.366 0.197  -0.093 0.092  362 HOH   A O    
2244 O O    . HOH   C .   ? 0.308 0.272 0.283 0.049  0.001  0.024  363 HOH   A O    
2245 O O    . HOH   C .   ? 0.152 0.253 0.185 0.021  -0.033 -0.069 364 HOH   A O    
2246 O O    . HOH   C .   ? 0.304 0.184 0.192 0.060  -0.029 -0.024 365 HOH   A O    
2247 O O    . HOH   C .   ? 0.197 0.197 0.175 0.010  -0.014 0.018  366 HOH   A O    
2248 O O    . HOH   C .   ? 0.311 0.392 0.714 -0.037 0.023  0.121  367 HOH   A O    
2249 O O    . HOH   C .   ? 0.283 0.273 0.190 0.041  -0.049 -0.004 368 HOH   A O    
2250 O O    . HOH   C .   ? 0.473 0.370 0.332 -0.099 -0.180 0.029  369 HOH   A O    
2251 O O    . HOH   C .   ? 0.195 0.194 0.238 -0.034 0.047  0.009  370 HOH   A O    
2252 O O    . HOH   C .   ? 0.349 0.264 0.212 0.058  -0.053 -0.002 371 HOH   A O    
2253 O O    . HOH   C .   ? 0.290 0.191 0.189 -0.009 -0.017 0.025  372 HOH   A O    
2254 O O    . HOH   C .   ? 0.322 0.222 0.278 -0.020 0.139  -0.038 373 HOH   A O    
2255 O O    . HOH   C .   ? 0.175 0.164 0.138 0.020  0.015  -0.028 374 HOH   A O    
2256 O O    . HOH   C .   ? 0.474 0.355 0.208 0.069  0.026  0.019  375 HOH   A O    
2257 O O    . HOH   C .   ? 0.145 0.187 0.207 0.001  0.001  0.006  376 HOH   A O    
2258 O O    . HOH   C .   ? 0.127 0.136 0.149 -0.014 0.024  -0.025 377 HOH   A O    
2259 O O    . HOH   C .   ? 0.328 0.242 0.215 -0.032 0.045  -0.071 378 HOH   A O    
2260 O O    . HOH   C .   ? 0.287 0.362 0.493 0.060  0.076  -0.080 379 HOH   A O    
2261 O O    . HOH   C .   ? 0.134 0.167 0.189 0.030  0.006  -0.001 380 HOH   A O    
2262 O O    . HOH   C .   ? 0.268 0.234 0.350 0.079  -0.038 -0.013 381 HOH   A O    
2263 O O    . HOH   C .   ? 0.431 0.198 0.241 0.021  -0.123 -0.039 382 HOH   A O    
2264 O O    . HOH   C .   ? 0.196 0.285 0.369 -0.010 -0.025 -0.136 383 HOH   A O    
2265 O O    . HOH   C .   ? 0.248 0.310 0.218 -0.032 -0.047 0.101  384 HOH   A O    
2266 O O    . HOH   C .   ? 0.307 0.383 0.418 0.166  0.105  0.114  385 HOH   A O    
2267 O O    . HOH   C .   ? 0.125 0.118 0.119 0.010  0.016  0.006  386 HOH   A O    
2268 O O    . HOH   C .   ? 0.176 0.402 0.366 0.007  0.006  -0.016 387 HOH   A O    
2269 O O    . HOH   C .   ? 0.340 0.444 0.324 -0.073 -0.019 0.102  388 HOH   A O    
2270 O O    . HOH   C .   ? 0.219 0.228 0.435 0.022  0.085  -0.052 389 HOH   A O    
2271 O O    . HOH   C .   ? 0.461 0.330 0.570 0.117  -0.022 -0.056 390 HOH   A O    
2272 O O    . HOH   C .   ? 0.184 0.302 0.384 -0.026 -0.001 -0.082 391 HOH   A O    
2273 O O    . HOH   C .   ? 0.327 0.247 0.250 0.034  0.031  -0.024 392 HOH   A O    
2274 O O    . HOH   C .   ? 0.185 0.316 0.267 -0.054 0.028  -0.101 393 HOH   A O    
2275 O O    . HOH   C .   ? 0.160 0.196 0.444 -0.010 -0.051 0.016  394 HOH   A O    
2276 O O    . HOH   C .   ? 0.398 0.206 0.234 -0.095 -0.038 0.025  395 HOH   A O    
2277 O O    . HOH   C .   ? 0.245 0.181 0.247 -0.068 0.001  0.056  396 HOH   A O    
2278 O O    . HOH   C .   ? 0.224 0.159 0.187 0.011  0.028  0.032  397 HOH   A O    
2279 O O    . HOH   C .   ? 0.136 0.689 0.774 0.002  0.017  0.027  398 HOH   A O    
2280 O O    . HOH   C .   ? 0.241 0.251 0.750 -0.035 0.145  0.050  399 HOH   A O    
2281 O O    . HOH   C .   ? 0.483 0.251 0.224 -0.068 0.024  0.019  400 HOH   A O    
2282 O O    . HOH   C .   ? 0.358 0.329 0.303 -0.128 0.013  -0.018 401 HOH   A O    
2283 O O    . HOH   C .   ? 0.201 0.326 0.263 -0.017 0.055  0.003  402 HOH   A O    
2284 O O    . HOH   C .   ? 0.325 0.292 0.322 0.069  0.124  -0.061 403 HOH   A O    
2285 O O    . HOH   C .   ? 0.361 0.618 0.181 0.058  0.053  0.006  404 HOH   A O    
2286 O O    . HOH   C .   ? 0.201 0.416 0.329 -0.048 -0.004 0.006  405 HOH   A O    
2287 O O    . HOH   C .   ? 0.419 0.289 0.213 -0.007 0.033  -0.010 406 HOH   A O    
2288 O O    . HOH   C .   ? 0.379 0.270 0.309 0.055  0.121  0.041  407 HOH   A O    
2289 O O    . HOH   C .   ? 0.396 0.342 0.469 0.015  -0.075 -0.028 408 HOH   A O    
2290 O O    . HOH   C .   ? 0.508 0.336 0.286 -0.041 0.123  0.085  409 HOH   A O    
2291 O O    . HOH   C .   ? 0.228 0.256 0.612 -0.016 0.087  0.000  410 HOH   A O    
2292 O O    . HOH   C .   ? 0.229 0.247 0.286 -0.035 0.051  -0.010 411 HOH   A O    
2293 O O    . HOH   C .   ? 0.260 0.238 0.227 0.036  0.043  -0.032 412 HOH   A O    
2294 O O    . HOH   C .   ? 0.405 0.320 0.383 -0.055 -0.016 0.025  413 HOH   A O    
2295 O O    . HOH   C .   ? 0.368 0.205 0.199 -0.004 0.010  0.013  414 HOH   A O    
2296 O O    . HOH   C .   ? 0.292 0.302 0.432 -0.010 0.029  -0.034 415 HOH   A O    
2297 O O    . HOH   C .   ? 0.392 0.194 0.328 -0.038 -0.101 -0.034 416 HOH   A O    
2298 O O    . HOH   C .   ? 0.196 0.217 0.213 0.007  -0.019 -0.023 417 HOH   A O    
2299 O O    . HOH   C .   ? 0.312 0.597 0.377 -0.064 0.089  0.065  418 HOH   A O    
2300 O O    . HOH   C .   ? 0.202 0.254 0.190 0.015  0.013  0.007  419 HOH   A O    
2301 O O    . HOH   C .   ? 0.240 0.254 0.212 -0.066 -0.093 0.050  420 HOH   A O    
2302 O O    . HOH   C .   ? 0.292 0.285 0.370 -0.118 0.004  0.060  421 HOH   A O    
2303 O O    . HOH   C .   ? 0.342 0.305 0.343 0.044  -0.096 -0.069 422 HOH   A O    
2304 O O    . HOH   C .   ? 0.358 0.431 0.324 -0.022 0.105  -0.004 423 HOH   A O    
2305 O O    . HOH   C .   ? 0.290 0.197 0.244 0.000  -0.084 -0.038 424 HOH   A O    
2306 O O    . HOH   C .   ? 0.338 0.539 0.305 0.026  0.032  0.124  425 HOH   A O    
2307 O O    . HOH   C .   ? 0.282 0.397 0.346 -0.077 0.077  -0.065 426 HOH   A O    
2308 O O    . HOH   C .   ? 0.234 0.203 0.223 -0.039 -0.064 0.050  427 HOH   A O    
2309 O O    . HOH   C .   ? 0.322 0.337 0.331 0.057  -0.052 -0.029 428 HOH   A O    
2310 O O    . HOH   C .   ? 0.343 0.551 0.390 0.028  -0.028 0.001  429 HOH   A O    
2311 O O    . HOH   C .   ? 0.301 0.274 0.308 -0.047 -0.096 -0.015 430 HOH   A O    
2312 O O    . HOH   C .   ? 0.148 0.193 0.127 -0.014 -0.045 0.004  431 HOH   A O    
2313 O O    . HOH   C .   ? 0.179 0.303 0.389 0.064  -0.058 -0.032 432 HOH   A O    
2314 O O    . HOH   C .   ? 0.306 0.244 0.345 -0.068 -0.140 0.072  433 HOH   A O    
2315 O O    . HOH   C .   ? 0.371 0.542 0.333 0.115  0.144  -0.033 434 HOH   A O    
2316 O O    . HOH   C .   ? 0.685 0.329 0.501 0.186  0.101  0.027  435 HOH   A O    
2317 O O    . HOH   C .   ? 0.344 0.499 0.286 0.113  -0.036 -0.107 436 HOH   A O    
2318 O O    . HOH   C .   ? 0.303 0.244 0.265 0.034  0.033  0.043  437 HOH   A O    
2319 O O    . HOH   C .   ? 0.270 0.333 0.283 0.035  -0.006 -0.032 438 HOH   A O    
2320 O O    . HOH   C .   ? 0.457 0.463 0.404 -0.009 0.089  0.090  439 HOH   A O    
2321 O O    . HOH   C .   ? 0.173 0.207 0.154 -0.016 -0.046 -0.027 440 HOH   A O    
2322 O O    . HOH   C .   ? 0.839 0.408 0.270 -0.141 -0.109 0.106  441 HOH   A O    
2323 O O    . HOH   C .   ? 0.335 0.323 0.299 -0.117 0.027  -0.025 442 HOH   A O    
2324 O O    . HOH   C .   ? 0.243 0.179 0.154 0.041  -0.005 -0.013 443 HOH   A O    
2325 O O    . HOH   C .   ? 0.358 0.366 0.359 -0.055 0.079  -0.001 444 HOH   A O    
2326 O O    . HOH   C .   ? 0.416 0.510 0.334 0.156  0.061  0.127  445 HOH   A O    
2327 O O    . HOH   C .   ? 0.473 0.256 0.593 -0.134 -0.105 0.124  446 HOH   A O    
2328 O O    . HOH   C .   ? 0.257 0.470 0.356 -0.023 0.088  -0.038 447 HOH   A O    
2329 O O    . HOH   C .   ? 0.369 0.444 0.223 0.031  0.243  -0.100 448 HOH   A O    
2330 O O    . HOH   C .   ? 0.586 0.323 0.367 -0.097 0.049  -0.023 449 HOH   A O    
2331 O O    . HOH   C .   ? 0.416 0.491 0.417 0.010  0.033  -0.010 450 HOH   A O    
2332 O O    . HOH   C .   ? 0.333 0.269 0.244 0.076  0.055  -0.019 451 HOH   A O    
2333 O O    . HOH   C .   ? 0.191 0.300 0.134 -0.007 0.018  -0.047 452 HOH   A O    
# 
