data_9D34
# 
_entry.id   9D34 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.398 
_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   9D34         pdb_00009d34 10.2210/pdb9d34/pdb 
WWPDB D_1000286912 ?            ?                   
# 
_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       2024-11-06 
# 
_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                        9D34 
_pdbx_database_status.recvd_initial_deposition_date   2024-08-09 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_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           Y 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              tfchou@caltech.edu 
_pdbx_contact_author.name_first         Tsui-Fen 
_pdbx_contact_author.name_last          Chou 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-2410-2186 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Radford, K.M.'  1 0000-0001-8484-7580 
'Rosencrans, W.' 2 0000-0003-1461-8891 
'Chou, T.F.'     3 0000-0003-2410-2186 
# 
_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                     
'FIP200 C-terminal CLAW domain (resid. 1490-1594) in complex with phosphorylated TNIP1 FIP200 interacting peptide' 
_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 'Radford, K.M.'  1 0000-0001-8484-7580 
primary 'Rosencrans, W.' 2 0000-0003-1461-8891 
primary 'Chou, T.F.'     3 0000-0003-2410-2186 
# 
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 'RB1-inducible coiled-coil protein 1' 12039.970 1  ? ? ? ? 
2 polymer man 'TNFAIP3-interacting protein 1'       1490.415  1  ? ? ? ? 
3 water   nat water                                 18.015    47 ? ? ? ? 
# 
loop_
_entity_name_com.entity_id 
_entity_name_com.name 
1 'FAK family kinase-interacting protein of 200 kDa,FIP200' 
2 
;A20-binding inhibitor of NF-kappa-B activation 1,ABIN-1,HIV-1 Nef-interacting protein,Nef-associated factor 1,Naf1,Nip40-1,Virion-associated nuclear shuttling protein,VAN,hVAN
;
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no  
;SRHSEKIAIRDFQVGDLVLIILDERHDNYVLFTVSPTLYFLHSESLPALDLKPGEGASGASRRPWVLGKVMEKEYCQAKK
AQNRFKVPLGTKFYRVKAVSWNKKV
;
;SRHSEKIAIRDFQVGDLVLIILDERHDNYVLFTVSPTLYFLHSESLPALDLKPGEGASGASRRPWVLGKVMEKEYCQAKK
AQNRFKVPLGTKFYRVKAVSWNKKV
;
A ? 
2 'polypeptide(L)' no yes 'GTS(SEP)EFEVVTPEE' GTSSEFEVVTPEE C ? 
# 
_pdbx_entity_nonpoly.entity_id   3 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   SER n 
1 2   ARG n 
1 3   HIS n 
1 4   SER n 
1 5   GLU n 
1 6   LYS n 
1 7   ILE n 
1 8   ALA n 
1 9   ILE n 
1 10  ARG n 
1 11  ASP n 
1 12  PHE n 
1 13  GLN n 
1 14  VAL n 
1 15  GLY n 
1 16  ASP n 
1 17  LEU n 
1 18  VAL n 
1 19  LEU n 
1 20  ILE n 
1 21  ILE n 
1 22  LEU n 
1 23  ASP n 
1 24  GLU n 
1 25  ARG n 
1 26  HIS n 
1 27  ASP n 
1 28  ASN n 
1 29  TYR n 
1 30  VAL n 
1 31  LEU n 
1 32  PHE n 
1 33  THR n 
1 34  VAL n 
1 35  SER n 
1 36  PRO n 
1 37  THR n 
1 38  LEU n 
1 39  TYR n 
1 40  PHE n 
1 41  LEU n 
1 42  HIS n 
1 43  SER n 
1 44  GLU n 
1 45  SER n 
1 46  LEU n 
1 47  PRO n 
1 48  ALA n 
1 49  LEU n 
1 50  ASP n 
1 51  LEU n 
1 52  LYS n 
1 53  PRO n 
1 54  GLY n 
1 55  GLU n 
1 56  GLY n 
1 57  ALA n 
1 58  SER n 
1 59  GLY n 
1 60  ALA n 
1 61  SER n 
1 62  ARG n 
1 63  ARG n 
1 64  PRO n 
1 65  TRP n 
1 66  VAL n 
1 67  LEU n 
1 68  GLY n 
1 69  LYS n 
1 70  VAL n 
1 71  MET n 
1 72  GLU n 
1 73  LYS n 
1 74  GLU n 
1 75  TYR n 
1 76  CYS n 
1 77  GLN n 
1 78  ALA n 
1 79  LYS n 
1 80  LYS n 
1 81  ALA n 
1 82  GLN n 
1 83  ASN n 
1 84  ARG n 
1 85  PHE n 
1 86  LYS n 
1 87  VAL n 
1 88  PRO n 
1 89  LEU n 
1 90  GLY n 
1 91  THR n 
1 92  LYS n 
1 93  PHE n 
1 94  TYR n 
1 95  ARG n 
1 96  VAL n 
1 97  LYS n 
1 98  ALA n 
1 99  VAL n 
1 100 SER n 
1 101 TRP n 
1 102 ASN n 
1 103 LYS n 
1 104 LYS n 
1 105 VAL n 
2 1   GLY n 
2 2   THR n 
2 3   SER n 
2 4   SEP n 
2 5   GLU n 
2 6   PHE n 
2 7   GLU n 
2 8   VAL n 
2 9   VAL n 
2 10  THR n 
2 11  PRO n 
2 12  GLU n 
2 13  GLU n 
# 
loop_
_entity_src_gen.entity_id 
_entity_src_gen.pdbx_src_id 
_entity_src_gen.pdbx_alt_source_flag 
_entity_src_gen.pdbx_seq_type 
_entity_src_gen.pdbx_beg_seq_num 
_entity_src_gen.pdbx_end_seq_num 
_entity_src_gen.gene_src_common_name 
_entity_src_gen.gene_src_genus 
_entity_src_gen.pdbx_gene_src_gene 
_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 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 
_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 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 
_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 
1 1 sample 'Biological sequence' 1 105 human ? 'RB1CC1, KIAA0203, RBICC' ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 
;Escherichia coli 'BL21-Gold(DE3)pLysS AG'
;
866768 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 13  human ? 'TNIP1, KIAA0113, NAF1'   ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 
'Escherichia coli'                          562    ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
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 
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 
SEP 'L-peptide linking' n PHOSPHOSERINE   PHOSPHONOSERINE 'C3 H8 N O6 P'   185.072 
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   SER 1   1490 ?    ?   ?   A . n 
A 1 2   ARG 2   1491 ?    ?   ?   A . n 
A 1 3   HIS 3   1492 ?    ?   ?   A . n 
A 1 4   SER 4   1493 ?    ?   ?   A . n 
A 1 5   GLU 5   1494 1494 GLU GLU A . n 
A 1 6   LYS 6   1495 1495 LYS LYS A . n 
A 1 7   ILE 7   1496 1496 ILE ILE A . n 
A 1 8   ALA 8   1497 1497 ALA ALA A . n 
A 1 9   ILE 9   1498 1498 ILE ILE A . n 
A 1 10  ARG 10  1499 1499 ARG ARG A . n 
A 1 11  ASP 11  1500 1500 ASP ASP A . n 
A 1 12  PHE 12  1501 1501 PHE PHE A . n 
A 1 13  GLN 13  1502 1502 GLN GLN A . n 
A 1 14  VAL 14  1503 1503 VAL VAL A . n 
A 1 15  GLY 15  1504 1504 GLY GLY A . n 
A 1 16  ASP 16  1505 1505 ASP ASP A . n 
A 1 17  LEU 17  1506 1506 LEU LEU A . n 
A 1 18  VAL 18  1507 1507 VAL VAL A . n 
A 1 19  LEU 19  1508 1508 LEU LEU A . n 
A 1 20  ILE 20  1509 1509 ILE ILE A . n 
A 1 21  ILE 21  1510 1510 ILE ILE A . n 
A 1 22  LEU 22  1511 1511 LEU LEU A . n 
A 1 23  ASP 23  1512 1512 ASP ASP A . n 
A 1 24  GLU 24  1513 1513 GLU GLU A . n 
A 1 25  ARG 25  1514 1514 ARG ARG A . n 
A 1 26  HIS 26  1515 1515 HIS HIS A . n 
A 1 27  ASP 27  1516 1516 ASP ASP A . n 
A 1 28  ASN 28  1517 1517 ASN ASN A . n 
A 1 29  TYR 29  1518 1518 TYR TYR A . n 
A 1 30  VAL 30  1519 1519 VAL VAL A . n 
A 1 31  LEU 31  1520 1520 LEU LEU A . n 
A 1 32  PHE 32  1521 1521 PHE PHE A . n 
A 1 33  THR 33  1522 1522 THR THR A . n 
A 1 34  VAL 34  1523 1523 VAL VAL A . n 
A 1 35  SER 35  1524 1524 SER SER A . n 
A 1 36  PRO 36  1525 1525 PRO PRO A . n 
A 1 37  THR 37  1526 1526 THR THR A . n 
A 1 38  LEU 38  1527 1527 LEU LEU A . n 
A 1 39  TYR 39  1528 1528 TYR TYR A . n 
A 1 40  PHE 40  1529 1529 PHE PHE A . n 
A 1 41  LEU 41  1530 1530 LEU LEU A . n 
A 1 42  HIS 42  1531 1531 HIS HIS A . n 
A 1 43  SER 43  1532 1532 SER SER A . n 
A 1 44  GLU 44  1533 1533 GLU GLU A . n 
A 1 45  SER 45  1534 1534 SER SER A . n 
A 1 46  LEU 46  1535 1535 LEU LEU A . n 
A 1 47  PRO 47  1536 1536 PRO PRO A . n 
A 1 48  ALA 48  1537 1537 ALA ALA A . n 
A 1 49  LEU 49  1538 1538 LEU LEU A . n 
A 1 50  ASP 50  1539 1539 ASP ASP A . n 
A 1 51  LEU 51  1540 1540 LEU LEU A . n 
A 1 52  LYS 52  1541 1541 LYS LYS A . n 
A 1 53  PRO 53  1542 1542 PRO PRO A . n 
A 1 54  GLY 54  1543 ?    ?   ?   A . n 
A 1 55  GLU 55  1544 ?    ?   ?   A . n 
A 1 56  GLY 56  1545 ?    ?   ?   A . n 
A 1 57  ALA 57  1546 ?    ?   ?   A . n 
A 1 58  SER 58  1547 ?    ?   ?   A . n 
A 1 59  GLY 59  1548 ?    ?   ?   A . n 
A 1 60  ALA 60  1549 ?    ?   ?   A . n 
A 1 61  SER 61  1550 ?    ?   ?   A . n 
A 1 62  ARG 62  1551 1551 ARG ARG A . n 
A 1 63  ARG 63  1552 1552 ARG ARG A . n 
A 1 64  PRO 64  1553 1553 PRO PRO A . n 
A 1 65  TRP 65  1554 1554 TRP TRP A . n 
A 1 66  VAL 66  1555 1555 VAL VAL A . n 
A 1 67  LEU 67  1556 1556 LEU LEU A . n 
A 1 68  GLY 68  1557 1557 GLY GLY A . n 
A 1 69  LYS 69  1558 1558 LYS LYS A . n 
A 1 70  VAL 70  1559 1559 VAL VAL A . n 
A 1 71  MET 71  1560 1560 MET MET A . n 
A 1 72  GLU 72  1561 1561 GLU GLU A . n 
A 1 73  LYS 73  1562 1562 LYS LYS A . n 
A 1 74  GLU 74  1563 1563 GLU GLU A . n 
A 1 75  TYR 75  1564 1564 TYR TYR A . n 
A 1 76  CYS 76  1565 1565 CYS CYS A . n 
A 1 77  GLN 77  1566 1566 GLN GLN A . n 
A 1 78  ALA 78  1567 1567 ALA ALA A . n 
A 1 79  LYS 79  1568 1568 LYS LYS A . n 
A 1 80  LYS 80  1569 1569 LYS LYS A . n 
A 1 81  ALA 81  1570 1570 ALA ALA A . n 
A 1 82  GLN 82  1571 1571 GLN GLN A . n 
A 1 83  ASN 83  1572 1572 ASN ASN A . n 
A 1 84  ARG 84  1573 1573 ARG ARG A . n 
A 1 85  PHE 85  1574 1574 PHE PHE A . n 
A 1 86  LYS 86  1575 1575 LYS LYS A . n 
A 1 87  VAL 87  1576 1576 VAL VAL A . n 
A 1 88  PRO 88  1577 1577 PRO PRO A . n 
A 1 89  LEU 89  1578 1578 LEU LEU A . n 
A 1 90  GLY 90  1579 1579 GLY GLY A . n 
A 1 91  THR 91  1580 1580 THR THR A . n 
A 1 92  LYS 92  1581 1581 LYS LYS A . n 
A 1 93  PHE 93  1582 1582 PHE PHE A . n 
A 1 94  TYR 94  1583 1583 TYR TYR A . n 
A 1 95  ARG 95  1584 1584 ARG ARG A . n 
A 1 96  VAL 96  1585 1585 VAL VAL A . n 
A 1 97  LYS 97  1586 1586 LYS LYS A . n 
A 1 98  ALA 98  1587 1587 ALA ALA A . n 
A 1 99  VAL 99  1588 1588 VAL VAL A . n 
A 1 100 SER 100 1589 1589 SER SER A . n 
A 1 101 TRP 101 1590 1590 TRP TRP A . n 
A 1 102 ASN 102 1591 ?    ?   ?   A . n 
A 1 103 LYS 103 1592 ?    ?   ?   A . n 
A 1 104 LYS 104 1593 ?    ?   ?   A . n 
A 1 105 VAL 105 1594 ?    ?   ?   A . n 
B 2 1   GLY 1   120  ?    ?   ?   C . n 
B 2 2   THR 2   121  ?    ?   ?   C . n 
B 2 3   SER 3   122  ?    ?   ?   C . n 
B 2 4   SEP 4   123  123  SEP SEP C . n 
B 2 5   GLU 5   124  124  GLU GLU C . n 
B 2 6   PHE 6   125  125  PHE PHE C . n 
B 2 7   GLU 7   126  126  GLU GLU C . n 
B 2 8   VAL 8   127  127  VAL VAL C . n 
B 2 9   VAL 9   128  128  VAL VAL C . n 
B 2 10  THR 10  129  ?    ?   ?   C . n 
B 2 11  PRO 11  130  ?    ?   ?   C . n 
B 2 12  GLU 12  131  ?    ?   ?   C . n 
B 2 13  GLU 13  132  ?    ?   ?   C . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        SEP 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   SEP 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 3 HOH 1  1601 48 HOH HOH A . 
C 3 HOH 2  1602 36 HOH HOH A . 
C 3 HOH 3  1603 3  HOH HOH A . 
C 3 HOH 4  1604 29 HOH HOH A . 
C 3 HOH 5  1605 24 HOH HOH A . 
C 3 HOH 6  1606 28 HOH HOH A . 
C 3 HOH 7  1607 19 HOH HOH A . 
C 3 HOH 8  1608 12 HOH HOH A . 
C 3 HOH 9  1609 31 HOH HOH A . 
C 3 HOH 10 1610 7  HOH HOH A . 
C 3 HOH 11 1611 14 HOH HOH A . 
C 3 HOH 12 1612 15 HOH HOH A . 
C 3 HOH 13 1613 10 HOH HOH A . 
C 3 HOH 14 1614 2  HOH HOH A . 
C 3 HOH 15 1615 1  HOH HOH A . 
C 3 HOH 16 1616 40 HOH HOH A . 
C 3 HOH 17 1617 37 HOH HOH A . 
C 3 HOH 18 1618 20 HOH HOH A . 
C 3 HOH 19 1619 27 HOH HOH A . 
C 3 HOH 20 1620 17 HOH HOH A . 
C 3 HOH 21 1621 4  HOH HOH A . 
C 3 HOH 22 1622 23 HOH HOH A . 
C 3 HOH 23 1623 9  HOH HOH A . 
C 3 HOH 24 1624 16 HOH HOH A . 
C 3 HOH 25 1625 5  HOH HOH A . 
C 3 HOH 26 1626 38 HOH HOH A . 
C 3 HOH 27 1627 11 HOH HOH A . 
C 3 HOH 28 1628 25 HOH HOH A . 
C 3 HOH 29 1629 35 HOH HOH A . 
C 3 HOH 30 1630 45 HOH HOH A . 
C 3 HOH 31 1631 21 HOH HOH A . 
C 3 HOH 32 1632 6  HOH HOH A . 
C 3 HOH 33 1633 26 HOH HOH A . 
C 3 HOH 34 1634 46 HOH HOH A . 
C 3 HOH 35 1635 42 HOH HOH A . 
C 3 HOH 36 1636 43 HOH HOH A . 
C 3 HOH 37 1637 39 HOH HOH A . 
C 3 HOH 38 1638 44 HOH HOH A . 
C 3 HOH 39 1639 22 HOH HOH A . 
C 3 HOH 40 1640 30 HOH HOH A . 
C 3 HOH 41 1641 8  HOH HOH A . 
C 3 HOH 42 1642 18 HOH HOH A . 
C 3 HOH 43 1643 41 HOH HOH A . 
C 3 HOH 44 1644 34 HOH HOH A . 
C 3 HOH 45 1645 13 HOH HOH A . 
D 3 HOH 1  201  33 HOH HOH C . 
D 3 HOH 2  202  47 HOH HOH C . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A GLU 1513 ? CG  ? A GLU 24 CG  
2  1 Y 1 A GLU 1513 ? CD  ? A GLU 24 CD  
3  1 Y 1 A GLU 1513 ? OE1 ? A GLU 24 OE1 
4  1 Y 1 A GLU 1513 ? OE2 ? A GLU 24 OE2 
5  1 Y 1 A ARG 1514 ? CG  ? A ARG 25 CG  
6  1 Y 1 A ARG 1514 ? CD  ? A ARG 25 CD  
7  1 Y 1 A ARG 1514 ? NE  ? A ARG 25 NE  
8  1 Y 1 A ARG 1514 ? CZ  ? A ARG 25 CZ  
9  1 Y 1 A ARG 1514 ? NH1 ? A ARG 25 NH1 
10 1 Y 1 A ARG 1514 ? NH2 ? A ARG 25 NH2 
11 1 Y 1 A GLU 1533 ? CG  ? A GLU 44 CG  
12 1 Y 1 A GLU 1533 ? CD  ? A GLU 44 CD  
13 1 Y 1 A GLU 1533 ? OE1 ? A GLU 44 OE1 
14 1 Y 1 A GLU 1533 ? OE2 ? A GLU 44 OE2 
15 1 Y 1 A LYS 1541 ? CG  ? A LYS 52 CG  
16 1 Y 1 A LYS 1541 ? CD  ? A LYS 52 CD  
17 1 Y 1 A LYS 1541 ? CE  ? A LYS 52 CE  
18 1 Y 1 A LYS 1541 ? NZ  ? A LYS 52 NZ  
19 1 Y 1 A PRO 1542 ? CG  ? A PRO 53 CG  
20 1 Y 1 A PRO 1542 ? CD  ? A PRO 53 CD  
21 1 Y 1 A ARG 1551 ? CG  ? A ARG 62 CG  
22 1 Y 1 A ARG 1551 ? CD  ? A ARG 62 CD  
23 1 Y 1 A ARG 1551 ? NE  ? A ARG 62 NE  
24 1 Y 1 A ARG 1551 ? CZ  ? A ARG 62 CZ  
25 1 Y 1 A ARG 1551 ? NH1 ? A ARG 62 NH1 
26 1 Y 1 A ARG 1551 ? NH2 ? A ARG 62 NH2 
27 1 Y 1 A ARG 1552 ? CG  ? A ARG 63 CG  
28 1 Y 1 A ARG 1552 ? CD  ? A ARG 63 CD  
29 1 Y 1 A ARG 1552 ? NE  ? A ARG 63 NE  
30 1 Y 1 A ARG 1552 ? CZ  ? A ARG 63 CZ  
31 1 Y 1 A ARG 1552 ? NH1 ? A ARG 63 NH1 
32 1 Y 1 A ARG 1552 ? NH2 ? A ARG 63 NH2 
33 1 Y 1 A LYS 1562 ? CG  ? A LYS 73 CG  
34 1 Y 1 A LYS 1562 ? CD  ? A LYS 73 CD  
35 1 Y 1 A LYS 1562 ? CE  ? A LYS 73 CE  
36 1 Y 1 A LYS 1562 ? NZ  ? A LYS 73 NZ  
37 1 Y 1 A LYS 1568 ? CG  ? A LYS 79 CG  
38 1 Y 1 A LYS 1568 ? CD  ? A LYS 79 CD  
39 1 Y 1 A LYS 1568 ? CE  ? A LYS 79 CE  
40 1 Y 1 A LYS 1568 ? NZ  ? A LYS 79 NZ  
41 1 Y 1 A LYS 1569 ? CG  ? A LYS 80 CG  
42 1 Y 1 A LYS 1569 ? CD  ? A LYS 80 CD  
43 1 Y 1 A LYS 1569 ? CE  ? A LYS 80 CE  
44 1 Y 1 A LYS 1569 ? NZ  ? A LYS 80 NZ  
45 1 Y 1 A GLN 1571 ? CG  ? A GLN 82 CG  
46 1 Y 1 A GLN 1571 ? CD  ? A GLN 82 CD  
47 1 Y 1 A GLN 1571 ? OE1 ? A GLN 82 OE1 
48 1 Y 1 A GLN 1571 ? NE2 ? A GLN 82 NE2 
49 1 Y 1 A ARG 1573 ? CG  ? A ARG 84 CG  
50 1 Y 1 A ARG 1573 ? CD  ? A ARG 84 CD  
51 1 Y 1 A ARG 1573 ? NE  ? A ARG 84 NE  
52 1 Y 1 A ARG 1573 ? CZ  ? A ARG 84 CZ  
53 1 Y 1 A ARG 1573 ? NH1 ? A ARG 84 NH1 
54 1 Y 1 A ARG 1573 ? NH2 ? A ARG 84 NH2 
55 1 Y 1 C VAL 127  ? CG1 ? B VAL 8  CG1 
56 1 Y 1 C VAL 127  ? CG2 ? B VAL 8  CG2 
57 1 Y 1 C VAL 128  ? CG1 ? B VAL 9  CG1 
58 1 Y 1 C VAL 128  ? CG2 ? B VAL 9  CG2 
# 
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       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? '(1.20.1_4487: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .                    2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9D34 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     51.339 
_cell.length_a_esd                 ? 
_cell.length_b                     51.339 
_cell.length_b_esd                 ? 
_cell.length_c                     88.280 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         9D34 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                96 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 43 21 2' 
_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                   9D34 
_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             2.15 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          42.78 
_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, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              6.5 
_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    
'Morpheus E4 (12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.03 M of each ethylene glycol, 0.1 M MES/imidazole pH 6.5)' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     80 
_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         2024-05-29 
_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                    
'Liquid nitrogen-cooled double-crystal Si(111) monochromator with a 0.01% energy bandpass' 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.979460 
_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                        'SSRL BEAMLINE BL12-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.979460 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL12-1 
_diffrn_source.pdbx_synchrotron_site       SSRL 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9D34 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.42 
_reflns.d_resolution_low                               33.57 
_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                                     22984 
_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                           96.30 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                20 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          21.41 
_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                                   0.996 
_reflns.pdbx_CC_star                                   0.999 
_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                                    1.42 
_reflns_shell.d_res_low                                     1.471 
_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                             1889 
_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                               0.3252 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.814 
_reflns_shell.pdbx_CC_star                                  0.947 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          83.99 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.496 
_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]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_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                                 9D34 
_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                            1.42 
_refine.ls_d_res_low                             33.57 
_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                     22153 
_refine.ls_number_reflns_R_free                  1085 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    96.31 
_refine.ls_percent_reflns_R_free                 4.90 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2037 
_refine.ls_R_factor_R_free                       0.2340 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2023 
_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                    'FLAT BULK SOLVENT MODEL' 
_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                          0.05 
_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       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_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                 24.41 
_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                            0.18 
_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.pdbx_number_atoms_protein        735 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             47 
_refine_hist.number_atoms_total               782 
_refine_hist.d_res_high                       1.42 
_refine_hist.d_res_low                        33.57 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.011 ? 775  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.254 ? 1061 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 7.381 ? 106  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.102 ? 122  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.011 ? 132  ? f_plane_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' 1.42 1.48 . . 114 2272 85.00  . . . . 0.2531 . . . . . . . . . . . 0.3454 
'X-RAY DIFFRACTION' 1.48 1.56 . . 132 2441 92.00  . . . . 0.1754 . . . . . . . . . . . 0.2278 
'X-RAY DIFFRACTION' 1.56 1.66 . . 138 2586 96.00  . . . . 0.1711 . . . . . . . . . . . 0.2133 
'X-RAY DIFFRACTION' 1.66 1.79 . . 147 2637 98.00  . . . . 0.2157 . . . . . . . . . . . 0.2841 
'X-RAY DIFFRACTION' 1.79 1.97 . . 135 2693 99.00  . . . . 0.1716 . . . . . . . . . . . 0.2375 
'X-RAY DIFFRACTION' 1.97 2.25 . . 158 2707 100.00 . . . . 0.1811 . . . . . . . . . . . 0.2122 
'X-RAY DIFFRACTION' 2.25 2.84 . . 122 2791 100.00 . . . . 0.2102 . . . . . . . . . . . 0.2250 
'X-RAY DIFFRACTION' 2.84 10   . . 139 2941 100.00 . . . . 0.2081 . . . . . . . . . . . 0.2367 
# 
_struct.entry_id                     9D34 
_struct.title                        
'FIP200 C-terminal CLAW domain (resid. 1490-1594) in complex with phosphorylated TNIP1 FIP200 interacting peptide' 
_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        9D34 
_struct_keywords.text            'Autophagy, PROTEIN BINDING' 
_struct_keywords.pdbx_keywords   'PROTEIN BINDING' 
# 
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 ? 
D N N 3 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP RBCC1_HUMAN Q8TDY2 ? 1 
;SRHSEKIAIRDFQVGDLVLIILDERHDNYVLFTVSPTLYFLHSESLPALDLKPGEGASGASRRPWVLGKVMEKEYCQAKK
AQNRFKVPLGTKFYRVKAVSWNKKV
;
1490 
2 UNP TNIP1_HUMAN Q15025 ? 2 GTSSEFEVVTPEE 120  
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9D34 A 1 ? 105 ? Q8TDY2 1490 ? 1594 ? 1490 1594 
2 2 9D34 C 1 ? 13  ? Q15025 120  ? 132  ? 120  132  
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 690  ? 
1 MORE         -5   ? 
1 'SSA (A^2)'  5690 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_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 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       SER 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        43 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       LEU 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        46 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        SER 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         1532 
_struct_conf.end_auth_comp_id        LEU 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         1535 
_struct_conf.pdbx_PDB_helix_class    5 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_conn.id                            covale1 
_struct_conn.conn_type_id                  covale 
_struct_conn.pdbx_leaving_atom_flag        both 
_struct_conn.pdbx_PDB_id                   ? 
_struct_conn.ptnr1_label_asym_id           B 
_struct_conn.ptnr1_label_comp_id           SEP 
_struct_conn.ptnr1_label_seq_id            4 
_struct_conn.ptnr1_label_atom_id           C 
_struct_conn.pdbx_ptnr1_label_alt_id       ? 
_struct_conn.pdbx_ptnr1_PDB_ins_code       ? 
_struct_conn.pdbx_ptnr1_standard_comp_id   ? 
_struct_conn.ptnr1_symmetry                1_555 
_struct_conn.ptnr2_label_asym_id           B 
_struct_conn.ptnr2_label_comp_id           GLU 
_struct_conn.ptnr2_label_seq_id            5 
_struct_conn.ptnr2_label_atom_id           N 
_struct_conn.pdbx_ptnr2_label_alt_id       ? 
_struct_conn.pdbx_ptnr2_PDB_ins_code       ? 
_struct_conn.ptnr1_auth_asym_id            C 
_struct_conn.ptnr1_auth_comp_id            SEP 
_struct_conn.ptnr1_auth_seq_id             123 
_struct_conn.ptnr2_auth_asym_id            C 
_struct_conn.ptnr2_auth_comp_id            GLU 
_struct_conn.ptnr2_auth_seq_id             124 
_struct_conn.ptnr2_symmetry                1_555 
_struct_conn.pdbx_ptnr3_label_atom_id      ? 
_struct_conn.pdbx_ptnr3_label_seq_id       ? 
_struct_conn.pdbx_ptnr3_label_comp_id      ? 
_struct_conn.pdbx_ptnr3_label_asym_id      ? 
_struct_conn.pdbx_ptnr3_label_alt_id       ? 
_struct_conn.pdbx_ptnr3_PDB_ins_code       ? 
_struct_conn.details                       ? 
_struct_conn.pdbx_dist_value               1.324 
_struct_conn.pdbx_value_order              ? 
_struct_conn.pdbx_role                     ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      SEP 
_pdbx_modification_feature.label_asym_id                      B 
_pdbx_modification_feature.label_seq_id                       4 
_pdbx_modification_feature.label_alt_id                       ? 
_pdbx_modification_feature.modified_residue_label_comp_id     . 
_pdbx_modification_feature.modified_residue_label_asym_id     . 
_pdbx_modification_feature.modified_residue_label_seq_id      . 
_pdbx_modification_feature.modified_residue_label_alt_id      . 
_pdbx_modification_feature.auth_comp_id                       SEP 
_pdbx_modification_feature.auth_asym_id                       C 
_pdbx_modification_feature.auth_seq_id                        123 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      . 
_pdbx_modification_feature.modified_residue_auth_asym_id      . 
_pdbx_modification_feature.modified_residue_auth_seq_id       . 
_pdbx_modification_feature.modified_residue_PDB_ins_code      . 
_pdbx_modification_feature.modified_residue_symmetry          . 
_pdbx_modification_feature.comp_id_linking_atom               . 
_pdbx_modification_feature.modified_residue_id_linking_atom   . 
_pdbx_modification_feature.modified_residue_id                SER 
_pdbx_modification_feature.ref_pcm_id                         1 
_pdbx_modification_feature.ref_comp_id                        SEP 
_pdbx_modification_feature.type                               Phosphorylation 
_pdbx_modification_feature.category                           'Named protein modification' 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   7 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? parallel      
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 PHE B 6  ? VAL B 8   ? PHE C 125  VAL C 127  
AA1 2 TRP A 65 ? ALA A 78  ? TRP A 1554 ALA A 1567 
AA1 3 LYS A 92 ? SER A 100 ? LYS A 1581 SER A 1589 
AA1 4 TYR A 39 ? LEU A 41  ? TYR A 1528 LEU A 1530 
AA1 5 ASN A 28 ? LEU A 31  ? ASN A 1517 LEU A 1520 
AA1 6 LEU A 17 ? ASP A 23  ? LEU A 1506 ASP A 1512 
AA1 7 TRP A 65 ? ALA A 78  ? TRP A 1554 ALA A 1567 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O GLU B 7  ? O GLU C 126  N GLN A 77 ? N GLN A 1566 
AA1 2 3 N CYS A 76 ? N CYS A 1565 O PHE A 93 ? O PHE A 1582 
AA1 3 4 O VAL A 96 ? O VAL A 1585 N PHE A 40 ? N PHE A 1529 
AA1 4 5 O LEU A 41 ? O LEU A 1530 N TYR A 29 ? N TYR A 1518 
AA1 5 6 O VAL A 30 ? O VAL A 1519 N ILE A 21 ? N ILE A 1510 
AA1 6 7 N ILE A 20 ? N ILE A 1509 O VAL A 66 ? O VAL A 1555 
# 
_pdbx_entry_details.entry_id                   9D34 
_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   Y 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             C 
_pdbx_validate_rmsd_angle.auth_asym_id_1             A 
_pdbx_validate_rmsd_angle.auth_comp_id_1             LYS 
_pdbx_validate_rmsd_angle.auth_seq_id_1              1541 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             N 
_pdbx_validate_rmsd_angle.auth_asym_id_2             A 
_pdbx_validate_rmsd_angle.auth_comp_id_2             PRO 
_pdbx_validate_rmsd_angle.auth_seq_id_2              1542 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             CA 
_pdbx_validate_rmsd_angle.auth_asym_id_3             A 
_pdbx_validate_rmsd_angle.auth_comp_id_3             PRO 
_pdbx_validate_rmsd_angle.auth_seq_id_3              1542 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                130.18 
_pdbx_validate_rmsd_angle.angle_target_value         119.30 
_pdbx_validate_rmsd_angle.angle_deviation            10.88 
_pdbx_validate_rmsd_angle.angle_standard_deviation   1.50 
_pdbx_validate_rmsd_angle.linker_flag                Y 
# 
_pdbx_struct_mod_residue.id               1 
_pdbx_struct_mod_residue.label_asym_id    B 
_pdbx_struct_mod_residue.label_comp_id    SEP 
_pdbx_struct_mod_residue.label_seq_id     4 
_pdbx_struct_mod_residue.auth_asym_id     C 
_pdbx_struct_mod_residue.auth_comp_id     SEP 
_pdbx_struct_mod_residue.auth_seq_id      123 
_pdbx_struct_mod_residue.PDB_ins_code     ? 
_pdbx_struct_mod_residue.parent_comp_id   SER 
_pdbx_struct_mod_residue.details          'modified residue' 
# 
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 SER 1490 ? A SER 1   
2  1 Y 1 A ARG 1491 ? A ARG 2   
3  1 Y 1 A HIS 1492 ? A HIS 3   
4  1 Y 1 A SER 1493 ? A SER 4   
5  1 Y 1 A GLY 1543 ? A GLY 54  
6  1 Y 1 A GLU 1544 ? A GLU 55  
7  1 Y 1 A GLY 1545 ? A GLY 56  
8  1 Y 1 A ALA 1546 ? A ALA 57  
9  1 Y 1 A SER 1547 ? A SER 58  
10 1 Y 1 A GLY 1548 ? A GLY 59  
11 1 Y 1 A ALA 1549 ? A ALA 60  
12 1 Y 1 A SER 1550 ? A SER 61  
13 1 Y 1 A ASN 1591 ? A ASN 102 
14 1 Y 1 A LYS 1592 ? A LYS 103 
15 1 Y 1 A LYS 1593 ? A LYS 104 
16 1 Y 1 A VAL 1594 ? A VAL 105 
17 1 Y 1 C GLY 120  ? B GLY 1   
18 1 Y 1 C THR 121  ? B THR 2   
19 1 Y 1 C SER 122  ? B SER 3   
20 1 Y 1 C THR 129  ? B THR 10  
21 1 Y 1 C PRO 130  ? B PRO 11  
22 1 Y 1 C GLU 131  ? B GLU 12  
23 1 Y 1 C GLU 132  ? B GLU 13  
# 
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 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
MET N    N N N 230 
MET CA   C N S 231 
MET C    C N N 232 
MET O    O N N 233 
MET CB   C N N 234 
MET CG   C N N 235 
MET SD   S N N 236 
MET CE   C N N 237 
MET OXT  O N N 238 
MET H    H N N 239 
MET H2   H N N 240 
MET HA   H N N 241 
MET HB2  H N N 242 
MET HB3  H N N 243 
MET HG2  H N N 244 
MET HG3  H N N 245 
MET HE1  H N N 246 
MET HE2  H N N 247 
MET HE3  H N N 248 
MET HXT  H N N 249 
PHE N    N N N 250 
PHE CA   C N S 251 
PHE C    C N N 252 
PHE O    O N N 253 
PHE CB   C N N 254 
PHE CG   C Y N 255 
PHE CD1  C Y N 256 
PHE CD2  C Y N 257 
PHE CE1  C Y N 258 
PHE CE2  C Y N 259 
PHE CZ   C Y N 260 
PHE OXT  O N N 261 
PHE H    H N N 262 
PHE H2   H N N 263 
PHE HA   H N N 264 
PHE HB2  H N N 265 
PHE HB3  H N N 266 
PHE HD1  H N N 267 
PHE HD2  H N N 268 
PHE HE1  H N N 269 
PHE HE2  H N N 270 
PHE HZ   H N N 271 
PHE HXT  H N N 272 
PRO N    N N N 273 
PRO CA   C N S 274 
PRO C    C N N 275 
PRO O    O N N 276 
PRO CB   C N N 277 
PRO CG   C N N 278 
PRO CD   C N N 279 
PRO OXT  O N N 280 
PRO H    H N N 281 
PRO HA   H N N 282 
PRO HB2  H N N 283 
PRO HB3  H N N 284 
PRO HG2  H N N 285 
PRO HG3  H N N 286 
PRO HD2  H N N 287 
PRO HD3  H N N 288 
PRO HXT  H N N 289 
SEP N    N N N 290 
SEP CA   C N S 291 
SEP CB   C N N 292 
SEP OG   O N N 293 
SEP C    C N N 294 
SEP O    O N N 295 
SEP OXT  O N N 296 
SEP P    P N N 297 
SEP O1P  O N N 298 
SEP O2P  O N N 299 
SEP O3P  O N N 300 
SEP H    H N N 301 
SEP H2   H N N 302 
SEP HA   H N N 303 
SEP HB2  H N N 304 
SEP HB3  H N N 305 
SEP HXT  H N N 306 
SEP HOP2 H N N 307 
SEP HOP3 H N N 308 
SER N    N N N 309 
SER CA   C N S 310 
SER C    C N N 311 
SER O    O N N 312 
SER CB   C N N 313 
SER OG   O N N 314 
SER OXT  O N N 315 
SER H    H N N 316 
SER H2   H N N 317 
SER HA   H N N 318 
SER HB2  H N N 319 
SER HB3  H N N 320 
SER HG   H N N 321 
SER HXT  H N N 322 
THR N    N N N 323 
THR CA   C N S 324 
THR C    C N N 325 
THR O    O N N 326 
THR CB   C N R 327 
THR OG1  O N N 328 
THR CG2  C N N 329 
THR OXT  O N N 330 
THR H    H N N 331 
THR H2   H N N 332 
THR HA   H N N 333 
THR HB   H N N 334 
THR HG1  H N N 335 
THR HG21 H N N 336 
THR HG22 H N N 337 
THR HG23 H N N 338 
THR HXT  H N N 339 
TRP N    N N N 340 
TRP CA   C N S 341 
TRP C    C N N 342 
TRP O    O N N 343 
TRP CB   C N N 344 
TRP CG   C Y N 345 
TRP CD1  C Y N 346 
TRP CD2  C Y N 347 
TRP NE1  N Y N 348 
TRP CE2  C Y N 349 
TRP CE3  C Y N 350 
TRP CZ2  C Y N 351 
TRP CZ3  C Y N 352 
TRP CH2  C Y N 353 
TRP OXT  O N N 354 
TRP H    H N N 355 
TRP H2   H N N 356 
TRP HA   H N N 357 
TRP HB2  H N N 358 
TRP HB3  H N N 359 
TRP HD1  H N N 360 
TRP HE1  H N N 361 
TRP HE3  H N N 362 
TRP HZ2  H N N 363 
TRP HZ3  H N N 364 
TRP HH2  H N N 365 
TRP HXT  H N N 366 
TYR N    N N N 367 
TYR CA   C N S 368 
TYR C    C N N 369 
TYR O    O N N 370 
TYR CB   C N N 371 
TYR CG   C Y N 372 
TYR CD1  C Y N 373 
TYR CD2  C Y N 374 
TYR CE1  C Y N 375 
TYR CE2  C Y N 376 
TYR CZ   C Y N 377 
TYR OH   O N N 378 
TYR OXT  O N N 379 
TYR H    H N N 380 
TYR H2   H N N 381 
TYR HA   H N N 382 
TYR HB2  H N N 383 
TYR HB3  H N N 384 
TYR HD1  H N N 385 
TYR HD2  H N N 386 
TYR HE1  H N N 387 
TYR HE2  H N N 388 
TYR HH   H N N 389 
TYR HXT  H N N 390 
VAL N    N N N 391 
VAL CA   C N S 392 
VAL C    C N N 393 
VAL O    O N N 394 
VAL CB   C N N 395 
VAL CG1  C N N 396 
VAL CG2  C N N 397 
VAL OXT  O N N 398 
VAL H    H N N 399 
VAL H2   H N N 400 
VAL HA   H N N 401 
VAL HB   H N N 402 
VAL HG11 H N N 403 
VAL HG12 H N N 404 
VAL HG13 H N N 405 
VAL HG21 H N N 406 
VAL HG22 H N N 407 
VAL HG23 H N N 408 
VAL HXT  H N N 409 
# 
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 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SEP N   CA   sing N N 277 
SEP N   H    sing N N 278 
SEP N   H2   sing N N 279 
SEP CA  CB   sing N N 280 
SEP CA  C    sing N N 281 
SEP CA  HA   sing N N 282 
SEP CB  OG   sing N N 283 
SEP CB  HB2  sing N N 284 
SEP CB  HB3  sing N N 285 
SEP OG  P    sing N N 286 
SEP C   O    doub N N 287 
SEP C   OXT  sing N N 288 
SEP OXT HXT  sing N N 289 
SEP P   O1P  doub N N 290 
SEP P   O2P  sing N N 291 
SEP P   O3P  sing N N 292 
SEP O2P HOP2 sing N N 293 
SEP O3P HOP3 sing N N 294 
SER N   CA   sing N N 295 
SER N   H    sing N N 296 
SER N   H2   sing N N 297 
SER CA  C    sing N N 298 
SER CA  CB   sing N N 299 
SER CA  HA   sing N N 300 
SER C   O    doub N N 301 
SER C   OXT  sing N N 302 
SER CB  OG   sing N N 303 
SER CB  HB2  sing N N 304 
SER CB  HB3  sing N N 305 
SER OG  HG   sing N N 306 
SER OXT HXT  sing N N 307 
THR N   CA   sing N N 308 
THR N   H    sing N N 309 
THR N   H2   sing N N 310 
THR CA  C    sing N N 311 
THR CA  CB   sing N N 312 
THR CA  HA   sing N N 313 
THR C   O    doub N N 314 
THR C   OXT  sing N N 315 
THR CB  OG1  sing N N 316 
THR CB  CG2  sing N N 317 
THR CB  HB   sing N N 318 
THR OG1 HG1  sing N N 319 
THR CG2 HG21 sing N N 320 
THR CG2 HG22 sing N N 321 
THR CG2 HG23 sing N N 322 
THR OXT HXT  sing N N 323 
TRP N   CA   sing N N 324 
TRP N   H    sing N N 325 
TRP N   H2   sing N N 326 
TRP CA  C    sing N N 327 
TRP CA  CB   sing N N 328 
TRP CA  HA   sing N N 329 
TRP C   O    doub N N 330 
TRP C   OXT  sing N N 331 
TRP CB  CG   sing N N 332 
TRP CB  HB2  sing N N 333 
TRP CB  HB3  sing N N 334 
TRP CG  CD1  doub Y N 335 
TRP CG  CD2  sing Y N 336 
TRP CD1 NE1  sing Y N 337 
TRP CD1 HD1  sing N N 338 
TRP CD2 CE2  doub Y N 339 
TRP CD2 CE3  sing Y N 340 
TRP NE1 CE2  sing Y N 341 
TRP NE1 HE1  sing N N 342 
TRP CE2 CZ2  sing Y N 343 
TRP CE3 CZ3  doub Y N 344 
TRP CE3 HE3  sing N N 345 
TRP CZ2 CH2  doub Y N 346 
TRP CZ2 HZ2  sing N N 347 
TRP CZ3 CH2  sing Y N 348 
TRP CZ3 HZ3  sing N N 349 
TRP CH2 HH2  sing N N 350 
TRP OXT HXT  sing N N 351 
TYR N   CA   sing N N 352 
TYR N   H    sing N N 353 
TYR N   H2   sing N N 354 
TYR CA  C    sing N N 355 
TYR CA  CB   sing N N 356 
TYR CA  HA   sing N N 357 
TYR C   O    doub N N 358 
TYR C   OXT  sing N N 359 
TYR CB  CG   sing N N 360 
TYR CB  HB2  sing N N 361 
TYR CB  HB3  sing N N 362 
TYR CG  CD1  doub Y N 363 
TYR CG  CD2  sing Y N 364 
TYR CD1 CE1  sing Y N 365 
TYR CD1 HD1  sing N N 366 
TYR CD2 CE2  doub Y N 367 
TYR CD2 HD2  sing N N 368 
TYR CE1 CZ   doub Y N 369 
TYR CE1 HE1  sing N N 370 
TYR CE2 CZ   sing Y N 371 
TYR CE2 HE2  sing N N 372 
TYR CZ  OH   sing N N 373 
TYR OH  HH   sing N N 374 
TYR OXT HXT  sing N N 375 
VAL N   CA   sing N N 376 
VAL N   H    sing N N 377 
VAL N   H2   sing N N 378 
VAL CA  C    sing N N 379 
VAL CA  CB   sing N N 380 
VAL CA  HA   sing N N 381 
VAL C   O    doub N N 382 
VAL C   OXT  sing N N 383 
VAL CB  CG1  sing N N 384 
VAL CB  CG2  sing N N 385 
VAL CB  HB   sing N N 386 
VAL CG1 HG11 sing N N 387 
VAL CG1 HG12 sing N N 388 
VAL CG1 HG13 sing N N 389 
VAL CG2 HG21 sing N N 390 
VAL CG2 HG22 sing N N 391 
VAL CG2 HG23 sing N N 392 
VAL OXT HXT  sing N N 393 
# 
_pdbx_audit_support.funding_organization   
'National Institutes of Health/National Institute of Neurological Disorders and Stroke (NIH/NINDS)' 
_pdbx_audit_support.country                'United States' 
_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   7czg 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9D34 
_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]   0.019478 
_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]   0.019478 
_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]   0.011328 
_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 
C 
H 
N 
O 
P 
S 
# 
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   1    N N    . GLU A 1 5   ? -22.071 -14.597 -3.897  1.00 44.73  ? 1494 GLU A N    1 
ATOM   2    C CA   . GLU A 1 5   ? -20.789 -13.911 -4.060  1.00 42.34  ? 1494 GLU A CA   1 
ATOM   3    C C    . GLU A 1 5   ? -19.905 -14.010 -2.826  1.00 37.52  ? 1494 GLU A C    1 
ATOM   4    O O    . GLU A 1 5   ? -19.744 -13.059 -2.020  1.00 38.18  ? 1494 GLU A O    1 
ATOM   5    C CB   . GLU A 1 5   ? -21.020 -12.472 -4.467  1.00 47.23  ? 1494 GLU A CB   1 
ATOM   6    C CG   . GLU A 1 5   ? -19.815 -11.846 -5.107  1.00 49.54  ? 1494 GLU A CG   1 
ATOM   7    C CD   . GLU A 1 5   ? -19.923 -10.340 -5.224  1.00 52.92  ? 1494 GLU A CD   1 
ATOM   8    O OE1  . GLU A 1 5   ? -19.701 -9.611  -4.236  1.00 52.34  ? 1494 GLU A OE1  1 
ATOM   9    O OE2  . GLU A 1 5   ? -20.243 -9.863  -6.314  1.00 53.37  ? 1494 GLU A OE2  1 
ATOM   10   H H    . GLU A 1 5   ? -22.723 -14.083 -3.665  1.00 53.70  ? 1494 GLU A H    1 
ATOM   11   H HA   . GLU A 1 5   ? -20.293 -14.348 -4.770  1.00 50.83  ? 1494 GLU A HA   1 
ATOM   12   H HB2  . GLU A 1 5   ? -21.750 -12.438 -5.106  1.00 56.70  ? 1494 GLU A HB2  1 
ATOM   13   H HB3  . GLU A 1 5   ? -21.244 -11.954 -3.679  1.00 56.70  ? 1494 GLU A HB3  1 
ATOM   14   H HG2  . GLU A 1 5   ? -19.032 -12.049 -4.571  1.00 59.46  ? 1494 GLU A HG2  1 
ATOM   15   H HG3  . GLU A 1 5   ? -19.708 -12.208 -6.000  1.00 59.46  ? 1494 GLU A HG3  1 
ATOM   16   N N    . LYS A 1 6   ? -19.333 -15.194 -2.686  1.00 30.70  ? 1495 LYS A N    1 
ATOM   17   C CA   . LYS A 1 6   ? -18.411 -15.520 -1.610  1.00 28.20  ? 1495 LYS A CA   1 
ATOM   18   C C    . LYS A 1 6   ? -17.157 -16.106 -2.217  1.00 25.93  ? 1495 LYS A C    1 
ATOM   19   O O    . LYS A 1 6   ? -17.239 -17.024 -3.050  1.00 29.45  ? 1495 LYS A O    1 
ATOM   20   C CB   . LYS A 1 6   ? -19.016 -16.509 -0.622  1.00 33.04  ? 1495 LYS A CB   1 
ATOM   21   C CG   . LYS A 1 6   ? -20.392 -16.146 -0.095  1.00 35.14  ? 1495 LYS A CG   1 
ATOM   22   C CD   . LYS A 1 6   ? -20.335 -15.019 0.906   1.00 37.65  ? 1495 LYS A CD   1 
ATOM   23   C CE   . LYS A 1 6   ? -21.688 -14.775 1.536   1.00 40.71  ? 1495 LYS A CE   1 
ATOM   24   N NZ   . LYS A 1 6   ? -22.537 -13.962 0.609   1.00 43.73  ? 1495 LYS A NZ   1 
ATOM   25   H H    A LYS A 1 6   ? -19.468 -15.852 -3.223  0.48 36.86  ? 1495 LYS A H    1 
ATOM   26   H H    B LYS A 1 6   ? -19.468 -15.852 -3.223  0.52 36.86  ? 1495 LYS A H    1 
ATOM   27   H HA   . LYS A 1 6   ? -18.187 -14.711 -1.123  1.00 33.86  ? 1495 LYS A HA   1 
ATOM   28   H HB2  . LYS A 1 6   ? -19.093 -17.370 -1.062  1.00 39.66  ? 1495 LYS A HB2  1 
ATOM   29   H HB3  . LYS A 1 6   ? -18.422 -16.578 0.142   1.00 39.66  ? 1495 LYS A HB3  1 
ATOM   30   H HG2  . LYS A 1 6   ? -20.953 -15.866 -0.835  1.00 42.19  ? 1495 LYS A HG2  1 
ATOM   31   H HG3  . LYS A 1 6   ? -20.780 -16.920 0.342   1.00 42.19  ? 1495 LYS A HG3  1 
ATOM   32   H HD2  . LYS A 1 6   ? -19.707 -15.245 1.610   1.00 45.20  ? 1495 LYS A HD2  1 
ATOM   33   H HD3  . LYS A 1 6   ? -20.055 -14.205 0.460   1.00 45.20  ? 1495 LYS A HD3  1 
ATOM   34   H HE2  . LYS A 1 6   ? -22.130 -15.623 1.703   1.00 48.87  ? 1495 LYS A HE2  1 
ATOM   35   H HE3  . LYS A 1 6   ? -21.580 -14.289 2.368   1.00 48.87  ? 1495 LYS A HE3  1 
ATOM   36   H HZ1  . LYS A 1 6   ? -23.316 -13.773 0.996   1.00 52.49  ? 1495 LYS A HZ1  1 
ATOM   37   H HZ2  . LYS A 1 6   ? -22.123 -13.201 0.405   1.00 52.49  ? 1495 LYS A HZ2  1 
ATOM   38   H HZ3  . LYS A 1 6   ? -22.691 -14.417 -0.141  1.00 52.49  ? 1495 LYS A HZ3  1 
ATOM   39   N N    . ILE A 1 7   ? -16.008 -15.565 -1.839  1.00 22.94  ? 1496 ILE A N    1 
ATOM   40   C CA   . ILE A 1 7   ? -14.752 -15.906 -2.505  1.00 21.15  ? 1496 ILE A CA   1 
ATOM   41   C C    . ILE A 1 7   ? -13.887 -16.795 -1.617  1.00 20.66  ? 1496 ILE A C    1 
ATOM   42   O O    . ILE A 1 7   ? -13.841 -16.637 -0.390  1.00 21.81  ? 1496 ILE A O    1 
ATOM   43   C CB   . ILE A 1 7   ? -13.945 -14.664 -2.948  1.00 20.27  ? 1496 ILE A CB   1 
ATOM   44   C CG1  . ILE A 1 7   ? -13.496 -13.802 -1.786  1.00 21.17  ? 1496 ILE A CG1  1 
ATOM   45   C CG2  . ILE A 1 7   ? -14.659 -13.894 -4.030  1.00 22.55  ? 1496 ILE A CG2  1 
ATOM   46   C CD1  . ILE A 1 7   ? -12.447 -12.787 -2.137  1.00 21.27  ? 1496 ILE A CD1  1 
ATOM   47   H H    . ILE A 1 7   ? -15.927 -14.997 -1.198  1.00 27.54  ? 1496 ILE A H    1 
ATOM   48   H HA   . ILE A 1 7   ? -14.992 -16.417 -3.293  1.00 25.40  ? 1496 ILE A HA   1 
ATOM   49   H HB   . ILE A 1 7   ? -13.122 -14.992 -3.344  1.00 24.34  ? 1496 ILE A HB   1 
ATOM   50   H HG12 . ILE A 1 7   ? -14.265 -13.323 -1.440  1.00 25.42  ? 1496 ILE A HG12 1 
ATOM   51   H HG13 . ILE A 1 7   ? -13.127 -14.379 -1.098  1.00 25.42  ? 1496 ILE A HG13 1 
ATOM   52   H HG21 . ILE A 1 7   ? -14.078 -13.187 -4.350  1.00 27.08  ? 1496 ILE A HG21 1 
ATOM   53   H HG22 . ILE A 1 7   ? -14.876 -14.499 -4.757  1.00 27.08  ? 1496 ILE A HG22 1 
ATOM   54   H HG23 . ILE A 1 7   ? -15.472 -13.513 -3.662  1.00 27.08  ? 1496 ILE A HG23 1 
ATOM   55   H HD11 . ILE A 1 7   ? -12.214 -12.285 -1.341  1.00 25.54  ? 1496 ILE A HD11 1 
ATOM   56   H HD12 . ILE A 1 7   ? -11.665 -13.246 -2.480  1.00 25.54  ? 1496 ILE A HD12 1 
ATOM   57   H HD13 . ILE A 1 7   ? -12.802 -12.188 -2.813  1.00 25.54  ? 1496 ILE A HD13 1 
ATOM   58   N N    . ALA A 1 8   ? -13.133 -17.679 -2.245  1.00 20.41  ? 1497 ALA A N    1 
ATOM   59   C CA   . ALA A 1 8   ? -12.041 -18.373 -1.593  1.00 20.65  ? 1497 ALA A CA   1 
ATOM   60   C C    . ALA A 1 8   ? -10.881 -17.400 -1.380  1.00 20.74  ? 1497 ALA A C    1 
ATOM   61   O O    . ALA A 1 8   ? -10.688 -16.450 -2.132  1.00 21.42  ? 1497 ALA A O    1 
ATOM   62   C CB   . ALA A 1 8   ? -11.590 -19.502 -2.488  1.00 23.18  ? 1497 ALA A CB   1 
ATOM   63   H H    . ALA A 1 8   ? -13.236 -17.901 -3.070  1.00 24.51  ? 1497 ALA A H    1 
ATOM   64   H HA   . ALA A 1 8   ? -12.314 -18.731 -0.733  1.00 24.79  ? 1497 ALA A HA   1 
ATOM   65   H HB1  . ALA A 1 8   ? -10.860 -19.974 -2.056  1.00 27.83  ? 1497 ALA A HB1  1 
ATOM   66   H HB2  . ALA A 1 8   ? -12.334 -20.107 -2.634  1.00 27.83  ? 1497 ALA A HB2  1 
ATOM   67   H HB3  . ALA A 1 8   ? -11.291 -19.134 -3.334  1.00 27.83  ? 1497 ALA A HB3  1 
ATOM   68   N N    . ILE A 1 9   ? -10.063 -17.667 -0.376  1.00 22.78  ? 1498 ILE A N    1 
ATOM   69   C CA   . ILE A 1 9   ? -8.938  -16.806 -0.010  1.00 22.57  ? 1498 ILE A CA   1 
ATOM   70   C C    . ILE A 1 9   ? -7.656  -17.552 0.236   1.00 23.04  ? 1498 ILE A C    1 
ATOM   71   O O    . ILE A 1 9   ? -6.658  -16.933 0.558   1.00 23.01  ? 1498 ILE A O    1 
ATOM   72   C CB   . ILE A 1 9   ? -9.297  -15.876 1.174   1.00 24.26  ? 1498 ILE A CB   1 
ATOM   73   C CG1  . ILE A 1 9   ? -9.606  -16.689 2.448   1.00 27.27  ? 1498 ILE A CG1  1 
ATOM   74   C CG2  . ILE A 1 9   ? -10.421 -14.874 0.854   1.00 24.89  ? 1498 ILE A CG2  1 
ATOM   75   C CD1  . ILE A 1 9   ? -9.642  -15.853 3.729   1.00 28.91  ? 1498 ILE A CD1  1 
ATOM   76   H H    . ILE A 1 9   ? -10.137 -18.360 0.128   1.00 27.35  ? 1498 ILE A H    1 
ATOM   77   H HA   . ILE A 1 9   ? -8.744  -16.231 -0.767  1.00 27.10  ? 1498 ILE A HA   1 
ATOM   78   H HB   . ILE A 1 9   ? -8.506  -15.340 1.339   1.00 29.13  ? 1498 ILE A HB   1 
ATOM   79   H HG12 . ILE A 1 9   ? -10.474 -17.109 2.345   1.00 32.74  ? 1498 ILE A HG12 1 
ATOM   80   H HG13 . ILE A 1 9   ? -8.921  -17.367 2.558   1.00 32.74  ? 1498 ILE A HG13 1 
ATOM   81   H HG21 . ILE A 1 9   ? -10.584 -14.322 1.635   1.00 29.89  ? 1498 ILE A HG21 1 
ATOM   82   H HG22 . ILE A 1 9   ? -10.146 -14.318 0.108   1.00 29.89  ? 1498 ILE A HG22 1 
ATOM   83   H HG23 . ILE A 1 9   ? -11.225 -15.364 0.621   1.00 29.89  ? 1498 ILE A HG23 1 
ATOM   84   H HD11 . ILE A 1 9   ? -9.813  -16.438 4.483   1.00 34.71  ? 1498 ILE A HD11 1 
ATOM   85   H HD12 . ILE A 1 9   ? -8.786  -15.410 3.841   1.00 34.71  ? 1498 ILE A HD12 1 
ATOM   86   H HD13 . ILE A 1 9   ? -10.349 -15.193 3.655   1.00 34.71  ? 1498 ILE A HD13 1 
ATOM   87   N N    . ARG A 1 10  ? -7.630  -18.866 0.058   1.00 24.47  ? 1499 ARG A N    1 
ATOM   88   C CA   . ARG A 1 10  ? -6.400  -19.661 0.107   1.00 27.35  ? 1499 ARG A CA   1 
ATOM   89   C C    . ARG A 1 10  ? -6.724  -21.039 -0.423  1.00 29.75  ? 1499 ARG A C    1 
ATOM   90   O O    . ARG A 1 10  ? -7.890  -21.375 -0.658  1.00 30.65  ? 1499 ARG A O    1 
ATOM   91   C CB   . ARG A 1 10  ? -5.791  -19.689 1.518   1.00 30.10  ? 1499 ARG A CB   1 
ATOM   92   C CG   . ARG A 1 10  ? -6.800  -20.077 2.581   1.00 33.17  ? 1499 ARG A CG   1 
ATOM   93   C CD   . ARG A 1 10  ? -6.134  -20.209 3.945   1.00 38.82  ? 1499 ARG A CD   1 
ATOM   94   N NE   . ARG A 1 10  ? -7.014  -19.805 5.018   1.00 42.68  ? 1499 ARG A NE   1 
ATOM   95   C CZ   . ARG A 1 10  ? -6.589  -19.606 6.255   1.00 47.07  ? 1499 ARG A CZ   1 
ATOM   96   N NH1  . ARG A 1 10  ? -5.305  -19.628 6.543   1.00 46.75  ? 1499 ARG A NH1  1 
ATOM   97   N NH2  . ARG A 1 10  ? -7.474  -19.362 7.218   1.00 50.78  ? 1499 ARG A NH2  1 
ATOM   98   H H    . ARG A 1 10  ? -8.331  -19.339 -0.099  1.00 29.38  ? 1499 ARG A H    1 
ATOM   99   H HA   . ARG A 1 10  ? -5.728  -19.276 -0.477  1.00 32.84  ? 1499 ARG A HA   1 
ATOM   100  H HB2  . ARG A 1 10  ? -5.069  -20.336 1.538   1.00 36.14  ? 1499 ARG A HB2  1 
ATOM   101  H HB3  . ARG A 1 10  ? -5.452  -18.806 1.733   1.00 36.14  ? 1499 ARG A HB3  1 
ATOM   102  H HG2  . ARG A 1 10  ? -7.486  -19.394 2.639   1.00 39.82  ? 1499 ARG A HG2  1 
ATOM   103  H HG3  . ARG A 1 10  ? -7.200  -20.930 2.350   1.00 39.82  ? 1499 ARG A HG3  1 
ATOM   104  H HD2  . ARG A 1 10  ? -5.884  -21.135 4.090   1.00 46.60  ? 1499 ARG A HD2  1 
ATOM   105  H HD3  . ARG A 1 10  ? -5.345  -19.645 3.971   1.00 46.60  ? 1499 ARG A HD3  1 
ATOM   106  H HE   . ARG A 1 10  ? -7.848  -19.689 4.845   1.00 51.24  ? 1499 ARG A HE   1 
ATOM   107  H HH11 . ARG A 1 10  ? -4.728  -19.772 5.922   1.00 56.12  ? 1499 ARG A HH11 1 
ATOM   108  H HH12 . ARG A 1 10  ? -5.043  -19.497 7.351   1.00 56.12  ? 1499 ARG A HH12 1 
ATOM   109  H HH21 . ARG A 1 10  ? -8.314  -19.334 7.034   1.00 60.95  ? 1499 ARG A HH21 1 
ATOM   110  H HH22 . ARG A 1 10  ? -7.207  -19.232 8.025   1.00 60.95  ? 1499 ARG A HH22 1 
ATOM   111  N N    . ASP A 1 11  ? -5.671  -21.821 -0.642  1.00 32.11  ? 1500 ASP A N    1 
ATOM   112  C CA   . ASP A 1 11  ? -5.795  -23.234 -0.979  1.00 35.34  ? 1500 ASP A CA   1 
ATOM   113  C C    . ASP A 1 11  ? -6.744  -23.445 -2.154  1.00 32.15  ? 1500 ASP A C    1 
ATOM   114  O O    . ASP A 1 11  ? -7.607  -24.323 -2.149  1.00 34.21  ? 1500 ASP A O    1 
ATOM   115  C CB   . ASP A 1 11  ? -6.227  -24.017 0.274   1.00 42.45  ? 1500 ASP A CB   1 
ATOM   116  C CG   . ASP A 1 11  ? -5.241  -23.857 1.471   1.00 52.42  ? 1500 ASP A CG   1 
ATOM   117  O OD1  . ASP A 1 11  ? -5.694  -23.966 2.633   1.00 56.37  ? 1500 ASP A OD1  1 
ATOM   118  O OD2  . ASP A 1 11  ? -4.029  -23.623 1.256   1.00 55.47  ? 1500 ASP A OD2  1 
ATOM   119  H H    . ASP A 1 11  ? -4.856  -21.550 -0.600  1.00 38.55  ? 1500 ASP A H    1 
ATOM   120  H HA   . ASP A 1 11  ? -4.937  -23.579 -1.271  1.00 42.42  ? 1500 ASP A HA   1 
ATOM   121  H HB2  . ASP A 1 11  ? -7.096  -23.696 0.560   1.00 50.95  ? 1500 ASP A HB2  1 
ATOM   122  H HB3  . ASP A 1 11  ? -6.277  -24.960 0.053   1.00 50.95  ? 1500 ASP A HB3  1 
ATOM   123  N N    . PHE A 1 12  ? -6.534  -22.646 -3.190  1.00 29.05  ? 1501 PHE A N    1 
ATOM   124  C CA   . PHE A 1 12  ? -7.518  -22.499 -4.253  1.00 26.05  ? 1501 PHE A CA   1 
ATOM   125  C C    . PHE A 1 12  ? -7.654  -23.785 -5.043  1.00 29.18  ? 1501 PHE A C    1 
ATOM   126  O O    . PHE A 1 12  ? -6.660  -24.471 -5.338  1.00 31.02  ? 1501 PHE A O    1 
ATOM   127  C CB   . PHE A 1 12  ? -7.082  -21.375 -5.190  1.00 24.23  ? 1501 PHE A CB   1 
ATOM   128  C CG   . PHE A 1 12  ? -6.982  -20.076 -4.502  1.00 23.51  ? 1501 PHE A CG   1 
ATOM   129  C CD1  . PHE A 1 12  ? -8.126  -19.348 -4.190  1.00 22.99  ? 1501 PHE A CD1  1 
ATOM   130  C CD2  . PHE A 1 12  ? -5.741  -19.569 -4.143  1.00 24.69  ? 1501 PHE A CD2  1 
ATOM   131  C CE1  . PHE A 1 12  ? -8.032  -18.132 -3.537  1.00 22.48  ? 1501 PHE A CE1  1 
ATOM   132  C CE2  . PHE A 1 12  ? -5.658  -18.314 -3.475  1.00 24.60  ? 1501 PHE A CE2  1 
ATOM   133  C CZ   . PHE A 1 12  ? -6.805  -17.623 -3.204  1.00 22.45  ? 1501 PHE A CZ   1 
ATOM   134  H H    . PHE A 1 12  ? -5.825  -22.174 -3.303  1.00 34.87  ? 1501 PHE A H    1 
ATOM   135  H HA   . PHE A 1 12  ? -8.383  -22.285 -3.869  1.00 31.28  ? 1501 PHE A HA   1 
ATOM   136  H HB2  . PHE A 1 12  ? -6.211  -21.590 -5.558  1.00 29.10  ? 1501 PHE A HB2  1 
ATOM   137  H HB3  . PHE A 1 12  ? -7.732  -21.289 -5.904  1.00 29.10  ? 1501 PHE A HB3  1 
ATOM   138  H HD1  . PHE A 1 12  ? -8.962  -19.683 -4.422  1.00 27.60  ? 1501 PHE A HD1  1 
ATOM   139  H HD2  . PHE A 1 12  ? -4.967  -20.046 -4.339  1.00 29.65  ? 1501 PHE A HD2  1 
ATOM   140  H HE1  . PHE A 1 12  ? -8.803  -17.659 -3.323  1.00 27.00  ? 1501 PHE A HE1  1 
ATOM   141  H HE2  . PHE A 1 12  ? -4.831  -17.968 -3.225  1.00 29.54  ? 1501 PHE A HE2  1 
ATOM   142  H HZ   . PHE A 1 12  ? -6.751  -16.793 -2.787  1.00 26.96  ? 1501 PHE A HZ   1 
ATOM   143  N N    . GLN A 1 13  ? -8.890  -24.083 -5.426  1.00 28.79  ? 1502 GLN A N    1 
ATOM   144  C CA   . GLN A 1 13  ? -9.236  -25.291 -6.141  1.00 30.75  ? 1502 GLN A CA   1 
ATOM   145  C C    . GLN A 1 13  ? -9.971  -24.944 -7.421  1.00 28.04  ? 1502 GLN A C    1 
ATOM   146  O O    . GLN A 1 13  ? -10.644 -23.922 -7.498  1.00 28.32  ? 1502 GLN A O    1 
ATOM   147  C CB   . GLN A 1 13  ? -10.151 -26.192 -5.297  1.00 35.01  ? 1502 GLN A CB   1 
ATOM   148  C CG   . GLN A 1 13  ? -9.604  -26.684 -3.982  1.00 42.57  ? 1502 GLN A CG   1 
ATOM   149  C CD   . GLN A 1 13  ? -8.265  -27.403 -4.128  1.00 49.83  ? 1502 GLN A CD   1 
ATOM   150  O OE1  . GLN A 1 13  ? -7.269  -27.036 -3.515  1.00 53.37  ? 1502 GLN A OE1  1 
ATOM   151  N NE2  . GLN A 1 13  ? -8.234  -28.409 -4.991  1.00 50.26  ? 1502 GLN A NE2  1 
ATOM   152  H H    . GLN A 1 13  ? -9.568  -23.577 -5.275  1.00 34.56  ? 1502 GLN A H    1 
ATOM   153  H HA   . GLN A 1 13  ? -8.422  -25.768 -6.363  1.00 36.91  ? 1502 GLN A HA   1 
ATOM   154  H HB2  . GLN A 1 13  ? -10.959 -25.694 -5.097  1.00 42.03  ? 1502 GLN A HB2  1 
ATOM   155  H HB3  . GLN A 1 13  ? -10.367 -26.977 -5.824  1.00 42.03  ? 1502 GLN A HB3  1 
ATOM   156  H HG2  . GLN A 1 13  ? -9.474  -25.926 -3.390  1.00 51.10  ? 1502 GLN A HG2  1 
ATOM   157  H HG3  . GLN A 1 13  ? -10.237 -27.306 -3.590  1.00 51.10  ? 1502 GLN A HG3  1 
ATOM   158  H HE21 . GLN A 1 13  ? -8.943  -28.621 -5.428  1.00 60.32  ? 1502 GLN A HE21 1 
ATOM   159  H HE22 . GLN A 1 13  ? -7.505  -28.848 -5.112  1.00 60.32  ? 1502 GLN A HE22 1 
ATOM   160  N N    . VAL A 1 14  ? -9.909  -25.835 -8.410  1.00 28.66  ? 1503 VAL A N    1 
ATOM   161  C CA   . VAL A 1 14  ? -10.719 -25.669 -9.605  1.00 29.71  ? 1503 VAL A CA   1 
ATOM   162  C C    . VAL A 1 14  ? -12.180 -25.537 -9.191  1.00 29.06  ? 1503 VAL A C    1 
ATOM   163  O O    . VAL A 1 14  ? -12.689 -26.327 -8.394  1.00 31.48  ? 1503 VAL A O    1 
ATOM   164  C CB   . VAL A 1 14  ? -10.427 -26.831 -10.585 1.00 30.54  ? 1503 VAL A CB   1 
ATOM   165  C CG1  . VAL A 1 14  ? -11.303 -26.734 -11.771 1.00 33.43  ? 1503 VAL A CG1  1 
ATOM   166  C CG2  . VAL A 1 14  ? -8.974  -26.778 -11.061 1.00 33.52  ? 1503 VAL A CG2  1 
ATOM   167  H H    . VAL A 1 14  ? -9.409  -26.535 -8.411  1.00 34.41  ? 1503 VAL A H    1 
ATOM   168  H HA   . VAL A 1 14  ? -10.494 -24.850 -10.072 1.00 35.67  ? 1503 VAL A HA   1 
ATOM   169  H HB   . VAL A 1 14  ? -10.590 -27.666 -10.120 1.00 36.67  ? 1503 VAL A HB   1 
ATOM   170  H HG11 . VAL A 1 14  ? -11.062 -27.432 -12.399 1.00 40.13  ? 1503 VAL A HG11 1 
ATOM   171  H HG12 . VAL A 1 14  ? -12.226 -26.845 -11.492 1.00 40.13  ? 1503 VAL A HG12 1 
ATOM   172  H HG13 . VAL A 1 14  ? -11.184 -25.863 -12.181 1.00 40.13  ? 1503 VAL A HG13 1 
ATOM   173  H HG21 . VAL A 1 14  ? -8.819  -27.505 -11.685 1.00 40.24  ? 1503 VAL A HG21 1 
ATOM   174  H HG22 . VAL A 1 14  ? -8.815  -25.927 -11.498 1.00 40.24  ? 1503 VAL A HG22 1 
ATOM   175  H HG23 . VAL A 1 14  ? -8.387  -26.870 -10.294 1.00 40.24  ? 1503 VAL A HG23 1 
ATOM   176  N N    . GLY A 1 15  ? -12.852 -24.539 -9.738  1.00 30.10  ? 1504 GLY A N    1 
ATOM   177  C CA   . GLY A 1 15  ? -14.228 -24.242 -9.421  1.00 30.91  ? 1504 GLY A CA   1 
ATOM   178  C C    . GLY A 1 15  ? -14.421 -23.133 -8.415  1.00 30.88  ? 1504 GLY A C    1 
ATOM   179  O O    . GLY A 1 15  ? -15.530 -22.620 -8.295  1.00 32.84  ? 1504 GLY A O    1 
ATOM   180  H H    . GLY A 1 15  ? -12.515 -24.001 -10.318 1.00 36.13  ? 1504 GLY A H    1 
ATOM   181  H HA2  . GLY A 1 15  ? -14.687 -23.985 -10.236 1.00 37.11  ? 1504 GLY A HA2  1 
ATOM   182  H HA3  . GLY A 1 15  ? -14.645 -25.042 -9.063  1.00 37.11  ? 1504 GLY A HA3  1 
ATOM   183  N N    . ASP A 1 16  ? -13.380 -22.740 -7.696  1.00 26.85  ? 1505 ASP A N    1 
ATOM   184  C CA   . ASP A 1 16  ? -13.539 -21.677 -6.717  1.00 24.70  ? 1505 ASP A CA   1 
ATOM   185  C C    . ASP A 1 16  ? -13.795 -20.321 -7.364  1.00 23.88  ? 1505 ASP A C    1 
ATOM   186  O O    . ASP A 1 16  ? -13.100 -19.930 -8.304  1.00 23.55  ? 1505 ASP A O    1 
ATOM   187  C CB   . ASP A 1 16  ? -12.278 -21.530 -5.869  1.00 25.48  ? 1505 ASP A CB   1 
ATOM   188  C CG   . ASP A 1 16  ? -12.101 -22.606 -4.855  1.00 26.46  ? 1505 ASP A CG   1 
ATOM   189  O OD1  . ASP A 1 16  ? -13.059 -23.401 -4.636  1.00 31.98  ? 1505 ASP A OD1  1 
ATOM   190  O OD2  . ASP A 1 16  ? -10.998 -22.572 -4.232  1.00 29.20  ? 1505 ASP A OD2  1 
ATOM   191  H H    . ASP A 1 16  ? -12.587 -23.066 -7.755  1.00 32.23  ? 1505 ASP A H    1 
ATOM   192  H HA   . ASP A 1 16  ? -14.300 -21.919 -6.165  1.00 29.66  ? 1505 ASP A HA   1 
ATOM   193  H HB2  . ASP A 1 16  ? -11.505 -21.547 -6.455  1.00 30.60  ? 1505 ASP A HB2  1 
ATOM   194  H HB3  . ASP A 1 16  ? -12.317 -20.683 -5.397  1.00 30.60  ? 1505 ASP A HB3  1 
ATOM   195  N N    . LEU A 1 17  ? -14.719 -19.561 -6.785  1.00 24.51  ? 1506 LEU A N    1 
ATOM   196  C CA   . LEU A 1 17  ? -14.856 -18.126 -7.053  1.00 23.39  ? 1506 LEU A CA   1 
ATOM   197  C C    . LEU A 1 17  ? -13.760 -17.387 -6.317  1.00 23.02  ? 1506 LEU A C    1 
ATOM   198  O O    . LEU A 1 17  ? -13.544 -17.580 -5.107  1.00 23.56  ? 1506 LEU A O    1 
ATOM   199  C CB   . LEU A 1 17  ? -16.242 -17.635 -6.638  1.00 27.06  ? 1506 LEU A CB   1 
ATOM   200  C CG   . LEU A 1 17  ? -16.570 -16.200 -6.955  1.00 28.88  ? 1506 LEU A CG   1 
ATOM   201  C CD1  . LEU A 1 17  ? -16.670 -16.043 -8.480  1.00 30.39  ? 1506 LEU A CD1  1 
ATOM   202  C CD2  . LEU A 1 17  ? -17.851 -15.736 -6.317  1.00 31.19  ? 1506 LEU A CD2  1 
ATOM   203  H H    . LEU A 1 17  ? -15.295 -19.856 -6.219  1.00 29.43  ? 1506 LEU A H    1 
ATOM   204  H HA   . LEU A 1 17  ? -14.766 -17.943 -8.001  1.00 28.08  ? 1506 LEU A HA   1 
ATOM   205  H HB2  . LEU A 1 17  ? -16.903 -18.184 -7.088  1.00 32.48  ? 1506 LEU A HB2  1 
ATOM   206  H HB3  . LEU A 1 17  ? -16.323 -17.740 -5.677  1.00 32.48  ? 1506 LEU A HB3  1 
ATOM   207  H HG   . LEU A 1 17  ? -15.864 -15.640 -6.595  1.00 34.67  ? 1506 LEU A HG   1 
ATOM   208  H HD11 . LEU A 1 17  ? -17.053 -15.175 -8.684  1.00 36.48  ? 1506 LEU A HD11 1 
ATOM   209  H HD12 . LEU A 1 17  ? -15.781 -16.111 -8.864  1.00 36.48  ? 1506 LEU A HD12 1 
ATOM   210  H HD13 . LEU A 1 17  ? -17.237 -16.746 -8.833  1.00 36.48  ? 1506 LEU A HD13 1 
ATOM   211  H HD21 . LEU A 1 17  ? -17.982 -14.796 -6.518  1.00 37.44  ? 1506 LEU A HD21 1 
ATOM   212  H HD22 . LEU A 1 17  ? -18.588 -16.256 -6.673  1.00 37.44  ? 1506 LEU A HD22 1 
ATOM   213  H HD23 . LEU A 1 17  ? -17.790 -15.863 -5.357  1.00 37.44  ? 1506 LEU A HD23 1 
ATOM   214  N N    . VAL A 1 18  ? -13.068 -16.537 -7.044  1.00 22.18  ? 1507 VAL A N    1 
ATOM   215  C CA   . VAL A 1 18  ? -11.902 -15.836 -6.534  1.00 21.72  ? 1507 VAL A CA   1 
ATOM   216  C C    . VAL A 1 18  ? -11.931 -14.379 -6.985  1.00 20.01  ? 1507 VAL A C    1 
ATOM   217  O O    . VAL A 1 18  ? -12.563 -14.011 -7.978  1.00 21.97  ? 1507 VAL A O    1 
ATOM   218  C CB   . VAL A 1 18  ? -10.589 -16.496 -7.017  1.00 22.30  ? 1507 VAL A CB   1 
ATOM   219  C CG1  . VAL A 1 18  ? -10.449 -17.892 -6.408  1.00 22.69  ? 1507 VAL A CG1  1 
ATOM   220  C CG2  . VAL A 1 18  ? -10.477 -16.610 -8.544  1.00 22.44  ? 1507 VAL A CG2  1 
ATOM   221  H H    . VAL A 1 18  ? -13.256 -16.342 -7.860  1.00 26.63  ? 1507 VAL A H    1 
ATOM   222  H HA   . VAL A 1 18  ? -11.936 -15.845 -5.564  1.00 26.08  ? 1507 VAL A HA   1 
ATOM   223  H HB   . VAL A 1 18  ? -9.869  -15.916 -6.724  1.00 26.78  ? 1507 VAL A HB   1 
ATOM   224  H HG11 . VAL A 1 18  ? -9.618  -18.288 -6.712  1.00 27.24  ? 1507 VAL A HG11 1 
ATOM   225  H HG12 . VAL A 1 18  ? -10.445 -17.815 -5.441  1.00 27.24  ? 1507 VAL A HG12 1 
ATOM   226  H HG13 . VAL A 1 18  ? -11.199 -18.437 -6.692  1.00 27.24  ? 1507 VAL A HG13 1 
ATOM   227  H HG21 . VAL A 1 18  ? -9.642  -17.050 -8.768  1.00 26.95  ? 1507 VAL A HG21 1 
ATOM   228  H HG22 . VAL A 1 18  ? -11.224 -17.131 -8.877  1.00 26.95  ? 1507 VAL A HG22 1 
ATOM   229  H HG23 . VAL A 1 18  ? -10.496 -15.720 -8.929  1.00 26.95  ? 1507 VAL A HG23 1 
ATOM   230  N N    . LEU A 1 19  ? -11.217 -13.538 -6.253  1.00 20.65  ? 1508 LEU A N    1 
ATOM   231  C CA   . LEU A 1 19  ? -11.035 -12.138 -6.591  1.00 20.66  ? 1508 LEU A CA   1 
ATOM   232  C C    . LEU A 1 19  ? -9.648  -12.016 -7.173  1.00 20.92  ? 1508 LEU A C    1 
ATOM   233  O O    . LEU A 1 19  ? -8.664  -12.373 -6.523  1.00 22.09  ? 1508 LEU A O    1 
ATOM   234  C CB   . LEU A 1 19  ? -11.206 -11.273 -5.341  1.00 22.18  ? 1508 LEU A CB   1 
ATOM   235  C CG   . LEU A 1 19  ? -11.070 -9.768  -5.530  1.00 22.34  ? 1508 LEU A CG   1 
ATOM   236  C CD1  . LEU A 1 19  ? -12.253 -9.242  -6.351  1.00 26.42  ? 1508 LEU A CD1  1 
ATOM   237  C CD2  . LEU A 1 19  ? -11.034 -9.107  -4.153  1.00 25.20  ? 1508 LEU A CD2  1 
ATOM   238  H H    . LEU A 1 19  ? -10.813 -13.765 -5.529  1.00 24.80  ? 1508 LEU A H    1 
ATOM   239  H HA   . LEU A 1 19  ? -11.682 -11.832 -7.246  1.00 24.81  ? 1508 LEU A HA   1 
ATOM   240  H HB2  . LEU A 1 19  ? -12.092 -11.436 -4.982  1.00 26.63  ? 1508 LEU A HB2  1 
ATOM   241  H HB3  . LEU A 1 19  ? -10.532 -11.541 -4.696  1.00 26.63  ? 1508 LEU A HB3  1 
ATOM   242  H HG   . LEU A 1 19  ? -10.254 -9.552  -6.008  1.00 26.82  ? 1508 LEU A HG   1 
ATOM   243  H HD11 . LEU A 1 19  ? -12.174 -8.279  -6.437  1.00 31.72  ? 1508 LEU A HD11 1 
ATOM   244  H HD12 . LEU A 1 19  ? -12.237 -9.654  -7.229  1.00 31.72  ? 1508 LEU A HD12 1 
ATOM   245  H HD13 . LEU A 1 19  ? -13.079 -9.467  -5.895  1.00 31.72  ? 1508 LEU A HD13 1 
ATOM   246  H HD21 . LEU A 1 19  ? -10.974 -8.145  -4.265  1.00 30.26  ? 1508 LEU A HD21 1 
ATOM   247  H HD22 . LEU A 1 19  ? -11.846 -9.333  -3.672  1.00 30.26  ? 1508 LEU A HD22 1 
ATOM   248  H HD23 . LEU A 1 19  ? -10.261 -9.432  -3.666  1.00 30.26  ? 1508 LEU A HD23 1 
ATOM   249  N N    . ILE A 1 20  ? -9.578  -11.505 -8.405  1.00 21.71  ? 1509 ILE A N    1 
ATOM   250  C CA   . ILE A 1 20  ? -8.354  -11.309 -9.150  1.00 22.12  ? 1509 ILE A CA   1 
ATOM   251  C C    . ILE A 1 20  ? -8.035  -9.826  -9.081  1.00 23.99  ? 1509 ILE A C    1 
ATOM   252  O O    . ILE A 1 20  ? -8.886  -8.993  -9.419  1.00 25.76  ? 1509 ILE A O    1 
ATOM   253  C CB   . ILE A 1 20  ? -8.538  -11.800 -10.588 1.00 24.14  ? 1509 ILE A CB   1 
ATOM   254  C CG1  . ILE A 1 20  ? -8.834  -13.301 -10.572 1.00 25.63  ? 1509 ILE A CG1  1 
ATOM   255  C CG2  . ILE A 1 20  ? -7.312  -11.488 -11.416 1.00 26.22  ? 1509 ILE A CG2  1 
ATOM   256  C CD1  . ILE A 1 20  ? -9.590  -13.808 -11.767 1.00 31.77  ? 1509 ILE A CD1  1 
ATOM   257  H H    . ILE A 1 20  ? -10.271 -11.253 -8.847  1.00 26.07  ? 1509 ILE A H    1 
ATOM   258  H HA   . ILE A 1 20  ? -7.610  -11.794 -8.759  1.00 26.56  ? 1509 ILE A HA   1 
ATOM   259  H HB   . ILE A 1 20  ? -9.289  -11.339 -10.993 1.00 28.99  ? 1509 ILE A HB   1 
ATOM   260  H HG12 . ILE A 1 20  ? -7.992  -13.780 -10.536 1.00 30.78  ? 1509 ILE A HG12 1 
ATOM   261  H HG13 . ILE A 1 20  ? -9.365  -13.501 -9.785  1.00 30.78  ? 1509 ILE A HG13 1 
ATOM   262  H HG21 . ILE A 1 20  ? -7.366  -11.972 -12.255 1.00 31.48  ? 1509 ILE A HG21 1 
ATOM   263  H HG22 . ILE A 1 20  ? -7.280  -10.534 -11.586 1.00 31.48  ? 1509 ILE A HG22 1 
ATOM   264  H HG23 . ILE A 1 20  ? -6.521  -11.763 -10.926 1.00 31.48  ? 1509 ILE A HG23 1 
ATOM   265  H HD11 . ILE A 1 20  ? -9.734  -14.762 -11.668 1.00 38.14  ? 1509 ILE A HD11 1 
ATOM   266  H HD12 . ILE A 1 20  ? -10.443 -13.349 -11.820 1.00 38.14  ? 1509 ILE A HD12 1 
ATOM   267  H HD13 . ILE A 1 20  ? -9.071  -13.633 -12.567 1.00 38.14  ? 1509 ILE A HD13 1 
ATOM   268  N N    . ILE A 1 21  ? -6.865  -9.494  -8.562  1.00 23.40  ? 1510 ILE A N    1 
ATOM   269  C CA   . ILE A 1 21  ? -6.480  -8.123  -8.260  1.00 25.65  ? 1510 ILE A CA   1 
ATOM   270  C C    . ILE A 1 21  ? -5.137  -7.784  -8.881  1.00 25.34  ? 1510 ILE A C    1 
ATOM   271  O O    . ILE A 1 21  ? -4.251  -8.637  -9.044  1.00 24.77  ? 1510 ILE A O    1 
ATOM   272  C CB   . ILE A 1 21  ? -6.420  -7.863  -6.707  1.00 27.29  ? 1510 ILE A CB   1 
ATOM   273  C CG1  . ILE A 1 21  ? -5.354  -8.741  -6.017  1.00 27.90  ? 1510 ILE A CG1  1 
ATOM   274  C CG2  . ILE A 1 21  ? -7.763  -8.101  -6.048  1.00 28.56  ? 1510 ILE A CG2  1 
ATOM   275  C CD1  . ILE A 1 21  ? -5.047  -8.300  -4.533  1.00 29.86  ? 1510 ILE A CD1  1 
ATOM   276  H H    . ILE A 1 21  ? -6.253  -10.066 -8.369  1.00 28.10  ? 1510 ILE A H    1 
ATOM   277  H HA   . ILE A 1 21  ? -7.142  -7.541  -8.665  1.00 30.80  ? 1510 ILE A HA   1 
ATOM   278  H HB   . ILE A 1 21  ? -6.174  -6.931  -6.602  1.00 32.76  ? 1510 ILE A HB   1 
ATOM   279  H HG12 . ILE A 1 21  ? -5.669  -9.658  -5.997  1.00 33.50  ? 1510 ILE A HG12 1 
ATOM   280  H HG13 . ILE A 1 21  ? -4.528  -8.685  -6.522  1.00 33.50  ? 1510 ILE A HG13 1 
ATOM   281  H HG21 . ILE A 1 21  ? -7.705  -7.846  -5.114  1.00 34.29  ? 1510 ILE A HG21 1 
ATOM   282  H HG22 . ILE A 1 21  ? -8.434  -7.564  -6.496  1.00 34.29  ? 1510 ILE A HG22 1 
ATOM   283  H HG23 . ILE A 1 21  ? -7.988  -9.042  -6.121  1.00 34.29  ? 1510 ILE A HG23 1 
ATOM   284  H HD11 . ILE A 1 21  ? -4.343  -8.864  -4.175  1.00 35.85  ? 1510 ILE A HD11 1 
ATOM   285  H HD12 . ILE A 1 21  ? -4.761  -7.373  -4.532  1.00 35.85  ? 1510 ILE A HD12 1 
ATOM   286  H HD13 . ILE A 1 21  ? -5.852  -8.399  -4.001  1.00 35.85  ? 1510 ILE A HD13 1 
ATOM   287  N N    . LEU A 1 22  ? -4.966  -6.505  -9.211  1.00 26.41  ? 1511 LEU A N    1 
ATOM   288  C CA   . LEU A 1 22  ? -3.681  -6.060  -9.729  1.00 29.22  ? 1511 LEU A CA   1 
ATOM   289  C C    . LEU A 1 22  ? -2.668  -5.960  -8.590  1.00 32.12  ? 1511 LEU A C    1 
ATOM   290  O O    . LEU A 1 22  ? -2.949  -5.355  -7.557  1.00 34.91  ? 1511 LEU A O    1 
ATOM   291  C CB   . LEU A 1 22  ? -3.882  -4.714  -10.416 1.00 34.09  ? 1511 LEU A CB   1 
ATOM   292  C CG   . LEU A 1 22  ? -2.657  -4.093  -11.074 1.00 36.32  ? 1511 LEU A CG   1 
ATOM   293  C CD1  . LEU A 1 22  ? -2.084  -5.026  -12.106 1.00 38.03  ? 1511 LEU A CD1  1 
ATOM   294  C CD2  . LEU A 1 22  ? -3.058  -2.777  -11.654 1.00 38.12  ? 1511 LEU A CD2  1 
ATOM   295  H H    . LEU A 1 22  ? -5.566  -5.892  -9.146  1.00 31.70  ? 1511 LEU A H    1 
ATOM   296  H HA   . LEU A 1 22  ? -3.325  -6.689  -10.375 1.00 35.08  ? 1511 LEU A HA   1 
ATOM   297  H HB2  . LEU A 1 22  ? -4.550  -4.828  -11.109 1.00 40.93  ? 1511 LEU A HB2  1 
ATOM   298  H HB3  . LEU A 1 22  ? -4.199  -4.082  -9.751  1.00 40.93  ? 1511 LEU A HB3  1 
ATOM   299  H HG   . LEU A 1 22  ? -1.948  -3.940  -10.429 1.00 43.60  ? 1511 LEU A HG   1 
ATOM   300  H HD11 . LEU A 1 22  ? -1.397  -4.560  -12.607 1.00 45.65  ? 1511 LEU A HD11 1 
ATOM   301  H HD12 . LEU A 1 22  ? -1.701  -5.797  -11.658 1.00 45.65  ? 1511 LEU A HD12 1 
ATOM   302  H HD13 . LEU A 1 22  ? -2.793  -5.310  -12.704 1.00 45.65  ? 1511 LEU A HD13 1 
ATOM   303  H HD21 . LEU A 1 22  ? -2.274  -2.345  -12.028 1.00 45.76  ? 1511 LEU A HD21 1 
ATOM   304  H HD22 . LEU A 1 22  ? -3.717  -2.926  -12.349 1.00 45.76  ? 1511 LEU A HD22 1 
ATOM   305  H HD23 . LEU A 1 22  ? -3.436  -2.224  -10.952 1.00 45.76  ? 1511 LEU A HD23 1 
ATOM   306  N N    . ASP A 1 23  ? -1.496  -6.597  -8.762  1.00 33.85  ? 1512 ASP A N    1 
ATOM   307  C CA   . ASP A 1 23  ? -0.367  -6.544  -7.829  1.00 38.25  ? 1512 ASP A CA   1 
ATOM   308  C C    . ASP A 1 23  ? 0.718   -5.740  -8.558  1.00 45.24  ? 1512 ASP A C    1 
ATOM   309  O O    . ASP A 1 23  ? 1.402   -6.235  -9.472  1.00 45.60  ? 1512 ASP A O    1 
ATOM   310  C CB   . ASP A 1 23  ? 0.069   -7.967  -7.510  1.00 37.23  ? 1512 ASP A CB   1 
ATOM   311  C CG   . ASP A 1 23  ? 1.257   -8.044  -6.585  1.00 39.93  ? 1512 ASP A CG   1 
ATOM   312  O OD1  . ASP A 1 23  ? 1.960   -7.032  -6.381  1.00 42.66  ? 1512 ASP A OD1  1 
ATOM   313  O OD2  . ASP A 1 23  ? 1.495   -9.159  -6.071  1.00 40.17  ? 1512 ASP A OD2  1 
ATOM   314  H H    . ASP A 1 23  ? -1.329  -7.090  -9.447  1.00 40.63  ? 1512 ASP A H    1 
ATOM   315  H HA   . ASP A 1 23  ? -0.581  -6.098  -6.995  1.00 45.92  ? 1512 ASP A HA   1 
ATOM   316  H HB2  . ASP A 1 23  ? -0.669  -8.431  -7.083  1.00 44.70  ? 1512 ASP A HB2  1 
ATOM   317  H HB3  . ASP A 1 23  ? 0.308   -8.414  -8.337  1.00 44.70  ? 1512 ASP A HB3  1 
ATOM   318  N N    . GLU A 1 24  ? 0.860   -4.480  -8.150  1.00 52.63  ? 1513 GLU A N    1 
ATOM   319  C CA   . GLU A 1 24  ? 1.813   -3.597  -8.815  1.00 59.84  ? 1513 GLU A CA   1 
ATOM   320  C C    . GLU A 1 24  ? 3.244   -4.030  -8.537  1.00 56.30  ? 1513 GLU A C    1 
ATOM   321  O O    . GLU A 1 24  ? 4.091   -3.997  -9.440  1.00 57.26  ? 1513 GLU A O    1 
ATOM   322  C CB   . GLU A 1 24  ? 1.590   -2.148  -8.379  1.00 70.70  ? 1513 GLU A CB   1 
ATOM   323  H H    . GLU A 1 24  ? 0.424   -4.118  -7.502  1.00 63.18  ? 1513 GLU A H    1 
ATOM   324  H HA   . GLU A 1 24  ? 1.664   -3.642  -9.772  1.00 71.82  ? 1513 GLU A HA   1 
ATOM   325  N N    . ARG A 1 25  ? 3.525   -4.461  -7.302  1.00 53.71  ? 1514 ARG A N    1 
ATOM   326  C CA   . ARG A 1 25  ? 4.882   -4.868  -6.943  1.00 52.99  ? 1514 ARG A CA   1 
ATOM   327  C C    . ARG A 1 25  ? 5.385   -5.978  -7.859  1.00 51.21  ? 1514 ARG A C    1 
ATOM   328  O O    . ARG A 1 25  ? 6.535   -5.944  -8.321  1.00 52.78  ? 1514 ARG A O    1 
ATOM   329  C CB   . ARG A 1 25  ? 4.918   -5.332  -5.488  1.00 52.55  ? 1514 ARG A CB   1 
ATOM   330  H H    . ARG A 1 25  ? 2.953   -4.526  -6.663  1.00 64.47  ? 1514 ARG A H    1 
ATOM   331  H HA   . ARG A 1 25  ? 5.473   -4.105  -7.037  1.00 63.61  ? 1514 ARG A HA   1 
ATOM   332  N N    . HIS A 1 26  ? 4.530   -6.957  -8.153  1.00 47.80  ? 1515 HIS A N    1 
ATOM   333  C CA   . HIS A 1 26  ? 4.878   -8.075  -9.015  1.00 46.35  ? 1515 HIS A CA   1 
ATOM   334  C C    . HIS A 1 26  ? 4.406   -7.872  -10.455 1.00 48.18  ? 1515 HIS A C    1 
ATOM   335  O O    . HIS A 1 26  ? 4.496   -8.808  -11.261 1.00 47.49  ? 1515 HIS A O    1 
ATOM   336  C CB   . HIS A 1 26  ? 4.296   -9.369  -8.453  1.00 44.12  ? 1515 HIS A CB   1 
ATOM   337  C CG   . HIS A 1 26  ? 4.878   -9.753  -7.129  1.00 43.47  ? 1515 HIS A CG   1 
ATOM   338  N ND1  . HIS A 1 26  ? 4.163   -9.686  -5.951  1.00 43.53  ? 1515 HIS A ND1  1 
ATOM   339  C CD2  . HIS A 1 26  ? 6.116   -10.180 -6.795  1.00 43.46  ? 1515 HIS A CD2  1 
ATOM   340  C CE1  . HIS A 1 26  ? 4.934   -10.071 -4.950  1.00 44.68  ? 1515 HIS A CE1  1 
ATOM   341  N NE2  . HIS A 1 26  ? 6.121   -10.389 -5.435  1.00 44.82  ? 1515 HIS A NE2  1 
ATOM   342  H H    . HIS A 1 26  ? 3.724   -6.992  -7.855  1.00 57.37  ? 1515 HIS A H    1 
ATOM   343  H HA   . HIS A 1 26  ? 5.844   -8.165  -9.031  1.00 55.64  ? 1515 HIS A HA   1 
ATOM   344  H HB2  . HIS A 1 26  ? 3.339   -9.259  -8.338  1.00 52.96  ? 1515 HIS A HB2  1 
ATOM   345  H HB3  . HIS A 1 26  ? 4.474   -10.090 -9.077  1.00 52.96  ? 1515 HIS A HB3  1 
ATOM   346  H HD1  . HIS A 1 26  ? 3.344   -9.434  -5.880  1.00 52.25  ? 1515 HIS A HD1  1 
ATOM   347  H HD2  . HIS A 1 26  ? 6.831   -10.309 -7.376  1.00 52.16  ? 1515 HIS A HD2  1 
ATOM   348  H HE1  . HIS A 1 26  ? 4.683   -10.112 -4.055  1.00 53.63  ? 1515 HIS A HE1  1 
ATOM   349  N N    . ASP A 1 27  ? 3.884   -6.678  -10.775 1.00 48.68  ? 1516 ASP A N    1 
ATOM   350  C CA   . ASP A 1 27  ? 3.450   -6.288  -12.121 1.00 50.76  ? 1516 ASP A CA   1 
ATOM   351  C C    . ASP A 1 27  ? 2.602   -7.372  -12.791 1.00 48.29  ? 1516 ASP A C    1 
ATOM   352  O O    . ASP A 1 27  ? 2.709   -7.653  -13.992 1.00 48.74  ? 1516 ASP A O    1 
ATOM   353  C CB   . ASP A 1 27  ? 4.665   -5.900  -12.950 1.00 55.30  ? 1516 ASP A CB   1 
ATOM   354  C CG   . ASP A 1 27  ? 4.318   -5.428  -14.344 1.00 59.56  ? 1516 ASP A CG   1 
ATOM   355  O OD1  . ASP A 1 27  ? 3.549   -4.449  -14.465 1.00 61.27  ? 1516 ASP A OD1  1 
ATOM   356  O OD2  . ASP A 1 27  ? 4.817   -6.032  -15.321 1.00 60.51  ? 1516 ASP A OD2  1 
ATOM   357  H H    . ASP A 1 27  ? 3.767   -6.048  -10.201 1.00 58.43  ? 1516 ASP A H    1 
ATOM   358  H HA   . ASP A 1 27  ? 2.865   -5.517  -12.058 1.00 60.92  ? 1516 ASP A HA   1 
ATOM   359  H HB2  . ASP A 1 27  ? 5.134   -5.179  -12.501 1.00 66.38  ? 1516 ASP A HB2  1 
ATOM   360  H HB3  . ASP A 1 27  ? 5.247   -6.672  -13.034 1.00 66.38  ? 1516 ASP A HB3  1 
ATOM   361  N N    . ASN A 1 28  ? 1.722   -7.976  -12.017 1.00 44.24  ? 1517 ASN A N    1 
ATOM   362  C CA   . ASN A 1 28  ? 0.841   -8.966  -12.605 1.00 40.05  ? 1517 ASN A CA   1 
ATOM   363  C C    . ASN A 1 28  ? -0.475  -8.955  -11.828 1.00 32.74  ? 1517 ASN A C    1 
ATOM   364  O O    . ASN A 1 28  ? -0.555  -8.449  -10.719 1.00 33.12  ? 1517 ASN A O    1 
ATOM   365  C CB   . ASN A 1 28  ? 1.323   -10.451 -12.487 1.00 45.46  ? 1517 ASN A CB   1 
ATOM   366  C CG   . ASN A 1 28  ? 2.298   -10.858 -13.559 1.00 49.92  ? 1517 ASN A CG   1 
ATOM   367  O OD1  . ASN A 1 28  ? 1.915   -11.493 -14.559 1.00 51.24  ? 1517 ASN A OD1  1 
ATOM   368  N ND2  . ASN A 1 28  ? 3.584   -10.593 -13.320 1.00 50.92  ? 1517 ASN A ND2  1 
ATOM   369  H H    . ASN A 1 28  ? 1.617   -7.835  -11.175 1.00 53.11  ? 1517 ASN A H    1 
ATOM   370  H HA   . ASN A 1 28  ? 0.772   -8.708  -13.537 1.00 48.07  ? 1517 ASN A HA   1 
ATOM   371  H HB2  . ASN A 1 28  ? 1.759   -10.571 -11.629 1.00 54.56  ? 1517 ASN A HB2  1 
ATOM   372  H HB3  . ASN A 1 28  ? 0.552   -11.036 -12.552 1.00 54.56  ? 1517 ASN A HB3  1 
ATOM   373  H HD21 . ASN A 1 28  ? 3.815   -10.211 -12.585 1.00 61.11  ? 1517 ASN A HD21 1 
ATOM   374  H HD22 . ASN A 1 28  ? 4.182   -10.805 -13.900 1.00 61.11  ? 1517 ASN A HD22 1 
ATOM   375  N N    . TYR A 1 29  ? -1.485  -9.590  -12.383 1.00 28.90  ? 1518 TYR A N    1 
ATOM   376  C CA   . TYR A 1 29  ? -2.686  -9.898  -11.637 1.00 24.60  ? 1518 TYR A CA   1 
ATOM   377  C C    . TYR A 1 29  ? -2.437  -11.158 -10.831 1.00 24.10  ? 1518 TYR A C    1 
ATOM   378  O O    . TYR A 1 29  ? -1.730  -12.067 -11.273 1.00 24.74  ? 1518 TYR A O    1 
ATOM   379  C CB   . TYR A 1 29  ? -3.862  -10.101 -12.591 1.00 26.36  ? 1518 TYR A CB   1 
ATOM   380  C CG   . TYR A 1 29  ? -4.432  -8.791  -13.114 1.00 26.98  ? 1518 TYR A CG   1 
ATOM   381  C CD1  . TYR A 1 29  ? -5.394  -8.084  -12.408 1.00 27.25  ? 1518 TYR A CD1  1 
ATOM   382  C CD2  . TYR A 1 29  ? -3.992  -8.253  -14.312 1.00 29.24  ? 1518 TYR A CD2  1 
ATOM   383  C CE1  . TYR A 1 29  ? -5.926  -6.895  -12.887 1.00 27.96  ? 1518 TYR A CE1  1 
ATOM   384  C CE2  . TYR A 1 29  ? -4.493  -7.046  -14.783 1.00 30.99  ? 1518 TYR A CE2  1 
ATOM   385  C CZ   . TYR A 1 29  ? -5.466  -6.389  -14.059 1.00 29.62  ? 1518 TYR A CZ   1 
ATOM   386  O OH   . TYR A 1 29  ? -5.944  -5.180  -14.533 1.00 34.49  ? 1518 TYR A OH   1 
ATOM   387  H H    . TYR A 1 29  ? -1.501  -9.858  -13.201 1.00 34.70  ? 1518 TYR A H    1 
ATOM   388  H HA   . TYR A 1 29  ? -2.920  -9.172  -11.037 1.00 29.54  ? 1518 TYR A HA   1 
ATOM   389  H HB2  . TYR A 1 29  ? -3.564  -10.624 -13.351 1.00 31.65  ? 1518 TYR A HB2  1 
ATOM   390  H HB3  . TYR A 1 29  ? -4.570  -10.570 -12.122 1.00 31.65  ? 1518 TYR A HB3  1 
ATOM   391  H HD1  . TYR A 1 29  ? -5.691  -8.416  -11.591 1.00 32.72  ? 1518 TYR A HD1  1 
ATOM   392  H HD2  . TYR A 1 29  ? -3.351  -8.707  -14.809 1.00 35.11  ? 1518 TYR A HD2  1 
ATOM   393  H HE1  . TYR A 1 29  ? -6.590  -6.450  -12.411 1.00 33.56  ? 1518 TYR A HE1  1 
ATOM   394  H HE2  . TYR A 1 29  ? -4.175  -6.684  -15.579 1.00 37.21  ? 1518 TYR A HE2  1 
ATOM   395  H HH   . TYR A 1 29  ? -6.501  -4.859  -13.992 1.00 41.41  ? 1518 TYR A HH   1 
ATOM   396  N N    . VAL A 1 30  ? -2.990  -11.181 -9.614  1.00 22.99  ? 1519 VAL A N    1 
ATOM   397  C CA   . VAL A 1 30  ? -2.887  -12.308 -8.703  1.00 22.33  ? 1519 VAL A CA   1 
ATOM   398  C C    . VAL A 1 30  ? -4.268  -12.581 -8.119  1.00 22.07  ? 1519 VAL A C    1 
ATOM   399  O O    . VAL A 1 30  ? -5.147  -11.737 -8.129  1.00 22.72  ? 1519 VAL A O    1 
ATOM   400  C CB   . VAL A 1 30  ? -1.858  -12.033 -7.590  1.00 22.77  ? 1519 VAL A CB   1 
ATOM   401  C CG1  . VAL A 1 30  ? -0.441  -11.785 -8.162  1.00 26.16  ? 1519 VAL A CG1  1 
ATOM   402  C CG2  . VAL A 1 30  ? -2.334  -10.897 -6.635  1.00 23.48  ? 1519 VAL A CG2  1 
ATOM   403  H H    . VAL A 1 30  ? -3.445  -10.528 -9.289  1.00 27.61  ? 1519 VAL A H    1 
ATOM   404  H HA   . VAL A 1 30  ? -2.611  -13.103 -9.186  1.00 26.81  ? 1519 VAL A HA   1 
ATOM   405  H HB   . VAL A 1 30  ? -1.787  -12.832 -7.044  1.00 27.35  ? 1519 VAL A HB   1 
ATOM   406  H HG11 . VAL A 1 30  ? 0.189   -11.720 -7.428  1.00 31.40  ? 1519 VAL A HG11 1 
ATOM   407  H HG12 . VAL A 1 30  ? -0.200  -12.526 -8.740  1.00 31.40  ? 1519 VAL A HG12 1 
ATOM   408  H HG13 . VAL A 1 30  ? -0.446  -10.958 -8.669  1.00 31.40  ? 1519 VAL A HG13 1 
ATOM   409  H HG21 . VAL A 1 30  ? -1.573  -10.567 -6.133  1.00 28.19  ? 1519 VAL A HG21 1 
ATOM   410  H HG22 . VAL A 1 30  ? -2.718  -10.180 -7.164  1.00 28.19  ? 1519 VAL A HG22 1 
ATOM   411  H HG23 . VAL A 1 30  ? -3.001  -11.254 -6.028  1.00 28.19  ? 1519 VAL A HG23 1 
ATOM   412  N N    . LEU A 1 31  ? -4.423  -13.754 -7.525  1.00 21.37  ? 1520 LEU A N    1 
ATOM   413  C CA   . LEU A 1 31  ? -5.599  -14.034 -6.714  1.00 21.59  ? 1520 LEU A CA   1 
ATOM   414  C C    . LEU A 1 31  ? -5.417  -13.379 -5.356  1.00 21.52  ? 1520 LEU A C    1 
ATOM   415  O O    . LEU A 1 31  ? -4.382  -13.558 -4.682  1.00 23.79  ? 1520 LEU A O    1 
ATOM   416  C CB   . LEU A 1 31  ? -5.767  -15.532 -6.532  1.00 22.54  ? 1520 LEU A CB   1 
ATOM   417  C CG   . LEU A 1 31  ? -6.306  -16.292 -7.746  1.00 25.71  ? 1520 LEU A CG   1 
ATOM   418  C CD1  . LEU A 1 31  ? -5.649  -16.131 -9.148  1.00 31.49  ? 1520 LEU A CD1  1 
ATOM   419  C CD2  . LEU A 1 31  ? -6.563  -17.758 -7.427  1.00 26.27  ? 1520 LEU A CD2  1 
ATOM   420  H H    . LEU A 1 31  ? -3.863  -14.405 -7.575  1.00 25.66  ? 1520 LEU A H    1 
ATOM   421  H HA   . LEU A 1 31  ? -6.399  -13.689 -7.142  1.00 25.93  ? 1520 LEU A HA   1 
ATOM   422  H HB2  . LEU A 1 31  ? -4.901  -15.911 -6.316  1.00 27.07  ? 1520 LEU A HB2  1 
ATOM   423  H HB3  . LEU A 1 31  ? -6.386  -15.682 -5.801  1.00 27.07  ? 1520 LEU A HB3  1 
ATOM   424  H HG   . LEU A 1 31  ? -7.132  -15.806 -7.897  1.00 30.86  ? 1520 LEU A HG   1 
ATOM   425  H HD11 . LEU A 1 31  ? -6.126  -16.685 -9.785  1.00 37.81  ? 1520 LEU A HD11 1 
ATOM   426  H HD12 . LEU A 1 31  ? -5.699  -15.200 -9.415  1.00 37.81  ? 1520 LEU A HD12 1 
ATOM   427  H HD13 . LEU A 1 31  ? -4.722  -16.411 -9.096  1.00 37.81  ? 1520 LEU A HD13 1 
ATOM   428  H HD21 . LEU A 1 31  ? -6.958  -18.186 -8.202  1.00 31.54  ? 1520 LEU A HD21 1 
ATOM   429  H HD22 . LEU A 1 31  ? -5.721  -18.185 -7.206  1.00 31.54  ? 1520 LEU A HD22 1 
ATOM   430  H HD23 . LEU A 1 31  ? -7.171  -17.815 -6.673  1.00 31.54  ? 1520 LEU A HD23 1 
ATOM   431  N N    . PHE A 1 32  ? -6.444  -12.713 -4.911  1.00 20.52  ? 1521 PHE A N    1 
ATOM   432  C CA   . PHE A 1 32  ? -6.431  -12.199 -3.555  1.00 20.63  ? 1521 PHE A CA   1 
ATOM   433  C C    . PHE A 1 32  ? -6.389  -13.367 -2.561  1.00 20.39  ? 1521 PHE A C    1 
ATOM   434  O O    . PHE A 1 32  ? -7.202  -14.275 -2.628  1.00 20.86  ? 1521 PHE A O    1 
ATOM   435  C CB   . PHE A 1 32  ? -7.694  -11.374 -3.275  1.00 21.08  ? 1521 PHE A CB   1 
ATOM   436  C CG   . PHE A 1 32  ? -7.784  -10.915 -1.854  1.00 21.13  ? 1521 PHE A CG   1 
ATOM   437  C CD1  . PHE A 1 32  ? -6.937  -9.921  -1.387  1.00 23.21  ? 1521 PHE A CD1  1 
ATOM   438  C CD2  . PHE A 1 32  ? -8.591  -11.566 -0.954  1.00 21.98  ? 1521 PHE A CD2  1 
ATOM   439  C CE1  . PHE A 1 32  ? -6.987  -9.531  -0.051  1.00 25.39  ? 1521 PHE A CE1  1 
ATOM   440  C CE2  . PHE A 1 32  ? -8.609  -11.195 0.404   1.00 24.18  ? 1521 PHE A CE2  1 
ATOM   441  C CZ   . PHE A 1 32  ? -7.813  -10.201 0.841   1.00 23.99  ? 1521 PHE A CZ   1 
ATOM   442  H H    . PHE A 1 32  ? -7.157  -12.542 -5.361  1.00 24.64  ? 1521 PHE A H    1 
ATOM   443  H HA   . PHE A 1 32  ? -5.651  -11.634 -3.442  1.00 24.78  ? 1521 PHE A HA   1 
ATOM   444  H HB2  . PHE A 1 32  ? -7.691  -10.589 -3.845  1.00 25.31  ? 1521 PHE A HB2  1 
ATOM   445  H HB3  . PHE A 1 32  ? -8.475  -11.918 -3.465  1.00 25.31  ? 1521 PHE A HB3  1 
ATOM   446  H HD1  . PHE A 1 32  ? -6.336  -9.513  -1.967  1.00 27.87  ? 1521 PHE A HD1  1 
ATOM   447  H HD2  . PHE A 1 32  ? -9.135  -12.262 -1.246  1.00 26.39  ? 1521 PHE A HD2  1 
ATOM   448  H HE1  . PHE A 1 32  ? -6.466  -8.820  0.244   1.00 30.49  ? 1521 PHE A HE1  1 
ATOM   449  H HE2  . PHE A 1 32  ? -9.171  -11.637 1.000   1.00 29.03  ? 1521 PHE A HE2  1 
ATOM   450  H HZ   . PHE A 1 32  ? -7.816  -9.964  1.740   1.00 28.80  ? 1521 PHE A HZ   1 
ATOM   451  N N    . THR A 1 33  ? -5.463  -13.306 -1.607  1.00 20.23  ? 1522 THR A N    1 
ATOM   452  C CA   . THR A 1 33  ? -5.254  -14.408 -0.675  1.00 21.59  ? 1522 THR A CA   1 
ATOM   453  C C    . THR A 1 33  ? -4.684  -13.904 0.640   1.00 22.52  ? 1522 THR A C    1 
ATOM   454  O O    . THR A 1 33  ? -3.992  -12.884 0.697   1.00 25.31  ? 1522 THR A O    1 
ATOM   455  C CB   . THR A 1 33  ? -4.323  -15.469 -1.342  1.00 22.15  ? 1522 THR A CB   1 
ATOM   456  O OG1  . THR A 1 33  ? -4.153  -16.602 -0.479  1.00 24.52  ? 1522 THR A OG1  1 
ATOM   457  C CG2  . THR A 1 33  ? -2.905  -14.912 -1.630  1.00 24.88  ? 1522 THR A CG2  1 
ATOM   458  H H    . THR A 1 33  ? -4.942  -12.634 -1.480  1.00 24.29  ? 1522 THR A H    1 
ATOM   459  H HA   . THR A 1 33  ? -6.100  -14.820 -0.440  1.00 25.92  ? 1522 THR A HA   1 
ATOM   460  H HB   . THR A 1 33  ? -4.742  -15.724 -2.178  1.00 26.60  ? 1522 THR A HB   1 
ATOM   461  H HG1  . THR A 1 33  ? -4.901  -16.939 -0.297  1.00 29.45  ? 1522 THR A HG1  1 
ATOM   462  H HG21 . THR A 1 33  ? -2.370  -15.583 -2.083  1.00 29.87  ? 1522 THR A HG21 1 
ATOM   463  H HG22 . THR A 1 33  ? -2.966  -14.125 -2.194  1.00 29.87  ? 1522 THR A HG22 1 
ATOM   464  H HG23 . THR A 1 33  ? -2.468  -14.670 -0.798  1.00 29.87  ? 1522 THR A HG23 1 
ATOM   465  N N    . VAL A 1 34  ? -4.966  -14.680 1.689   1.00 22.69  ? 1523 VAL A N    1 
ATOM   466  C CA   . VAL A 1 34  ? -4.342  -14.464 2.992   1.00 26.51  ? 1523 VAL A CA   1 
ATOM   467  C C    . VAL A 1 34  ? -3.071  -15.265 3.149   1.00 30.36  ? 1523 VAL A C    1 
ATOM   468  O O    . VAL A 1 34  ? -2.392  -15.139 4.175   1.00 35.91  ? 1523 VAL A O    1 
ATOM   469  C CB   . VAL A 1 34  ? -5.316  -14.728 4.162   1.00 27.01  ? 1523 VAL A CB   1 
ATOM   470  C CG1  . VAL A 1 34  ? -6.452  -13.702 4.163   1.00 28.73  ? 1523 VAL A CG1  1 
ATOM   471  C CG2  . VAL A 1 34  ? -5.809  -16.161 4.132   1.00 28.88  ? 1523 VAL A CG2  1 
ATOM   472  H H    . VAL A 1 34  ? -5.518  -15.339 1.670   1.00 27.25  ? 1523 VAL A H    1 
ATOM   473  H HA   . VAL A 1 34  ? -4.105  -13.525 3.050   1.00 31.83  ? 1523 VAL A HA   1 
ATOM   474  H HB   . VAL A 1 34  ? -4.849  -14.618 5.005   1.00 32.43  ? 1523 VAL A HB   1 
ATOM   475  H HG11 . VAL A 1 34  ? -7.044  -13.888 4.908   1.00 34.50  ? 1523 VAL A HG11 1 
ATOM   476  H HG12 . VAL A 1 34  ? -6.074  -12.813 4.254   1.00 34.50  ? 1523 VAL A HG12 1 
ATOM   477  H HG13 . VAL A 1 34  ? -6.940  -13.771 3.328   1.00 34.50  ? 1523 VAL A HG13 1 
ATOM   478  H HG21 . VAL A 1 34  ? -6.405  -16.306 4.884   1.00 34.67  ? 1523 VAL A HG21 1 
ATOM   479  H HG22 . VAL A 1 34  ? -6.284  -16.315 3.300   1.00 34.67  ? 1523 VAL A HG22 1 
ATOM   480  H HG23 . VAL A 1 34  ? -5.048  -16.759 4.194   1.00 34.67  ? 1523 VAL A HG23 1 
ATOM   481  N N    . SER A 1 35  ? -2.701  -16.059 2.144   1.00 28.91  ? 1524 SER A N    1 
ATOM   482  C CA   . SER A 1 35  ? -1.478  -16.826 2.278   1.00 30.26  ? 1524 SER A CA   1 
ATOM   483  C C    . SER A 1 35  ? -0.309  -16.063 1.685   1.00 30.58  ? 1524 SER A C    1 
ATOM   484  O O    . SER A 1 35  ? -0.482  -15.274 0.754   1.00 30.90  ? 1524 SER A O    1 
ATOM   485  C CB   . SER A 1 35  ? -1.626  -18.154 1.571   1.00 33.32  ? 1524 SER A CB   1 
ATOM   486  O OG   . SER A 1 35  ? -0.382  -18.823 1.409   1.00 35.09  ? 1524 SER A OG   1 
ATOM   487  H H    . SER A 1 35  ? -3.127  -16.163 1.405   1.00 34.70  ? 1524 SER A H    1 
ATOM   488  H HA   . SER A 1 35  ? -1.288  -16.994 3.214   1.00 36.33  ? 1524 SER A HA   1 
ATOM   489  H HB2  . SER A 1 35  ? -2.216  -18.719 2.094   1.00 40.00  ? 1524 SER A HB2  1 
ATOM   490  H HB3  . SER A 1 35  ? -2.009  -17.996 0.694   1.00 40.00  ? 1524 SER A HB3  1 
ATOM   491  H HG   . SER A 1 35  ? -0.501  -19.564 1.032   1.00 42.13  ? 1524 SER A HG   1 
ATOM   492  N N    . PRO A 1 36  ? 0.913   -16.311 2.133   1.00 32.13  ? 1525 PRO A N    1 
ATOM   493  C CA   . PRO A 1 36  ? 2.060   -15.665 1.483   1.00 31.79  ? 1525 PRO A CA   1 
ATOM   494  C C    . PRO A 1 36  ? 2.432   -16.292 0.162   1.00 31.19  ? 1525 PRO A C    1 
ATOM   495  O O    . PRO A 1 36  ? 3.245   -15.706 -0.571  1.00 35.71  ? 1525 PRO A O    1 
ATOM   496  C CB   . PRO A 1 36  ? 3.194   -15.818 2.509   1.00 35.82  ? 1525 PRO A CB   1 
ATOM   497  C CG   . PRO A 1 36  ? 2.839   -16.988 3.313   1.00 36.32  ? 1525 PRO A CG   1 
ATOM   498  C CD   . PRO A 1 36  ? 1.309   -17.143 3.294   1.00 34.45  ? 1525 PRO A CD   1 
ATOM   499  H HA   . PRO A 1 36  ? 1.888   -14.718 1.358   1.00 38.16  ? 1525 PRO A HA   1 
ATOM   500  H HB2  . PRO A 1 36  ? 4.036   -15.958 2.049   1.00 43.00  ? 1525 PRO A HB2  1 
ATOM   501  H HB3  . PRO A 1 36  ? 3.246   -15.022 3.061   1.00 43.00  ? 1525 PRO A HB3  1 
ATOM   502  H HG2  . PRO A 1 36  ? 3.259   -17.774 2.931   1.00 43.60  ? 1525 PRO A HG2  1 
ATOM   503  H HG3  . PRO A 1 36  ? 3.150   -16.854 4.221   1.00 43.60  ? 1525 PRO A HG3  1 
ATOM   504  H HD2  . PRO A 1 36  ? 1.055   -18.070 3.160   1.00 41.36  ? 1525 PRO A HD2  1 
ATOM   505  H HD3  . PRO A 1 36  ? 0.915   -16.807 4.114   1.00 41.36  ? 1525 PRO A HD3  1 
ATOM   506  N N    . THR A 1 37  ? 1.849   -17.445 -0.171  1.00 30.64  ? 1526 THR A N    1 
ATOM   507  C CA   . THR A 1 37  ? 2.069   -18.036 -1.489  1.00 31.53  ? 1526 THR A CA   1 
ATOM   508  C C    . THR A 1 37  ? 1.365   -17.233 -2.575  1.00 29.77  ? 1526 THR A C    1 
ATOM   509  O O    . THR A 1 37  ? 0.175   -16.922 -2.468  1.00 29.53  ? 1526 THR A O    1 
ATOM   510  C CB   . THR A 1 37  ? 1.553   -19.465 -1.491  1.00 35.63  ? 1526 THR A CB   1 
ATOM   511  O OG1  . THR A 1 37  ? 2.179   -20.210 -0.447  1.00 40.87  ? 1526 THR A OG1  1 
ATOM   512  C CG2  . THR A 1 37  ? 1.883   -20.167 -2.798  1.00 37.90  ? 1526 THR A CG2  1 
ATOM   513  H H    . THR A 1 37  ? 1.329   -17.898 0.342   1.00 36.79  ? 1526 THR A H    1 
ATOM   514  H HA   . THR A 1 37  ? 3.019   -18.033 -1.686  1.00 37.85  ? 1526 THR A HA   1 
ATOM   515  H HB   . THR A 1 37  ? 0.591   -19.437 -1.371  1.00 42.77  ? 1526 THR A HB   1 
ATOM   516  H HG1  . THR A 1 37  ? 1.925   -21.010 -0.473  1.00 49.06  ? 1526 THR A HG1  1 
ATOM   517  H HG21 . THR A 1 37  ? 1.687   -21.114 -2.724  1.00 45.50  ? 1526 THR A HG21 1 
ATOM   518  H HG22 . THR A 1 37  ? 1.355   -19.791 -3.519  1.00 45.50  ? 1526 THR A HG22 1 
ATOM   519  H HG23 . THR A 1 37  ? 2.824   -20.055 -3.006  1.00 45.50  ? 1526 THR A HG23 1 
ATOM   520  N N    . LEU A 1 38  ? 2.098   -16.927 -3.644  1.00 28.35  ? 1527 LEU A N    1 
ATOM   521  C CA   . LEU A 1 38  ? 1.520   -16.149 -4.730  1.00 26.41  ? 1527 LEU A CA   1 
ATOM   522  C C    . LEU A 1 38  ? 0.813   -17.046 -5.726  1.00 25.05  ? 1527 LEU A C    1 
ATOM   523  O O    . LEU A 1 38  ? 1.362   -18.045 -6.201  1.00 27.75  ? 1527 LEU A O    1 
ATOM   524  C CB   . LEU A 1 38  ? 2.625   -15.372 -5.466  1.00 30.72  ? 1527 LEU A CB   1 
ATOM   525  C CG   . LEU A 1 38  ? 3.262   -14.291 -4.586  1.00 32.50  ? 1527 LEU A CG   1 
ATOM   526  C CD1  . LEU A 1 38  ? 4.660   -13.948 -5.051  1.00 34.59  ? 1527 LEU A CD1  1 
ATOM   527  C CD2  . LEU A 1 38  ? 2.367   -13.045 -4.576  1.00 33.56  ? 1527 LEU A CD2  1 
ATOM   528  H H    . LEU A 1 38  ? 2.919   -17.155 -3.759  1.00 34.04  ? 1527 LEU A H    1 
ATOM   529  H HA   . LEU A 1 38  ? 0.874   -15.529 -4.356  1.00 31.71  ? 1527 LEU A HA   1 
ATOM   530  H HB2  . LEU A 1 38  ? 3.321   -15.991 -5.736  1.00 36.89  ? 1527 LEU A HB2  1 
ATOM   531  H HB3  . LEU A 1 38  ? 2.244   -14.941 -6.247  1.00 36.89  ? 1527 LEU A HB3  1 
ATOM   532  H HG   . LEU A 1 38  ? 3.344   -14.627 -3.680  1.00 39.01  ? 1527 LEU A HG   1 
ATOM   533  H HD11 . LEU A 1 38  ? 5.023   -13.257 -4.475  1.00 41.52  ? 1527 LEU A HD11 1 
ATOM   534  H HD12 . LEU A 1 38  ? 5.212   -14.743 -5.004  1.00 41.52  ? 1527 LEU A HD12 1 
ATOM   535  H HD13 . LEU A 1 38  ? 4.618   -13.627 -5.965  1.00 41.52  ? 1527 LEU A HD13 1 
ATOM   536  H HD21 . LEU A 1 38  ? 2.765   -12.374 -3.999  1.00 40.29  ? 1527 LEU A HD21 1 
ATOM   537  H HD22 . LEU A 1 38  ? 2.294   -12.701 -5.480  1.00 40.29  ? 1527 LEU A HD22 1 
ATOM   538  H HD23 . LEU A 1 38  ? 1.489   -13.289 -4.243  1.00 40.29  ? 1527 LEU A HD23 1 
ATOM   539  N N    A TYR A 1 39  ? -0.366  -16.605 -6.129  0.63 24.39  ? 1528 TYR A N    1 
ATOM   540  N N    B TYR A 1 39  ? -0.397  -16.661 -6.100  0.37 23.98  ? 1528 TYR A N    1 
ATOM   541  C CA   A TYR A 1 39  ? -1.149  -17.239 -7.183  0.63 24.10  ? 1528 TYR A CA   1 
ATOM   542  C CA   B TYR A 1 39  ? -1.127  -17.308 -7.192  0.37 22.74  ? 1528 TYR A CA   1 
ATOM   543  C C    A TYR A 1 39  ? -1.306  -16.239 -8.309  0.63 22.97  ? 1528 TYR A C    1 
ATOM   544  C C    B TYR A 1 39  ? -1.301  -16.281 -8.304  0.37 22.72  ? 1528 TYR A C    1 
ATOM   545  O O    A TYR A 1 39  ? -2.240  -15.431 -8.336  0.63 22.84  ? 1528 TYR A O    1 
ATOM   546  O O    B TYR A 1 39  ? -2.246  -15.486 -8.302  0.37 22.88  ? 1528 TYR A O    1 
ATOM   547  C CB   A TYR A 1 39  ? -2.481  -17.660 -6.603  0.63 26.38  ? 1528 TYR A CB   1 
ATOM   548  C CB   B TYR A 1 39  ? -2.479  -17.842 -6.724  0.37 22.48  ? 1528 TYR A CB   1 
ATOM   549  C CG   A TYR A 1 39  ? -2.396  -18.755 -5.553  0.63 27.50  ? 1528 TYR A CG   1 
ATOM   550  C CG   B TYR A 1 39  ? -2.488  -19.161 -5.955  0.37 21.69  ? 1528 TYR A CG   1 
ATOM   551  C CD1  A TYR A 1 39  ? -2.151  -18.462 -4.201  0.63 27.08  ? 1528 TYR A CD1  1 
ATOM   552  C CD1  B TYR A 1 39  ? -1.983  -19.249 -4.655  0.37 21.54  ? 1528 TYR A CD1  1 
ATOM   553  C CD2  A TYR A 1 39  ? -2.581  -20.083 -5.905  0.63 27.95  ? 1528 TYR A CD2  1 
ATOM   554  C CD2  B TYR A 1 39  ? -3.080  -20.301 -6.513  0.37 21.39  ? 1528 TYR A CD2  1 
ATOM   555  C CE1  A TYR A 1 39  ? -2.087  -19.463 -3.238  0.63 29.92  ? 1528 TYR A CE1  1 
ATOM   556  C CE1  B TYR A 1 39  ? -2.047  -20.439 -3.955  0.37 21.19  ? 1528 TYR A CE1  1 
ATOM   557  C CE2  A TYR A 1 39  ? -2.522  -21.100 -4.936  0.63 29.64  ? 1528 TYR A CE2  1 
ATOM   558  C CE2  B TYR A 1 39  ? -3.140  -21.502 -5.807  0.37 21.58  ? 1528 TYR A CE2  1 
ATOM   559  C CZ   A TYR A 1 39  ? -2.265  -20.778 -3.607  0.63 31.14  ? 1528 TYR A CZ   1 
ATOM   560  C CZ   B TYR A 1 39  ? -2.614  -21.552 -4.535  0.37 21.29  ? 1528 TYR A CZ   1 
ATOM   561  O OH   A TYR A 1 39  ? -2.191  -21.757 -2.631  0.63 33.19  ? 1528 TYR A OH   1 
ATOM   562  O OH   B TYR A 1 39  ? -2.668  -22.701 -3.804  0.37 22.53  ? 1528 TYR A OH   1 
ATOM   563  H H    A TYR A 1 39  ? -0.751  -15.913 -5.794  0.63 29.29  ? 1528 TYR A H    1 
ATOM   564  H H    B TYR A 1 39  ? -0.828  -16.014 -5.732  0.37 28.79  ? 1528 TYR A H    1 
ATOM   565  H HA   A TYR A 1 39  ? -0.688  -18.012 -7.545  0.63 28.94  ? 1528 TYR A HA   1 
ATOM   566  H HA   B TYR A 1 39  ? -0.599  -18.052 -7.521  0.37 27.31  ? 1528 TYR A HA   1 
ATOM   567  H HB2  A TYR A 1 39  ? -2.894  -16.887 -6.187  0.63 31.68  ? 1528 TYR A HB2  1 
ATOM   568  H HB2  B TYR A 1 39  ? -2.877  -17.175 -6.143  0.37 27.00  ? 1528 TYR A HB2  1 
ATOM   569  H HB3  A TYR A 1 39  ? -3.041  -17.988 -7.323  0.63 31.68  ? 1528 TYR A HB3  1 
ATOM   570  H HB3  B TYR A 1 39  ? -3.034  -17.972 -7.509  0.37 27.00  ? 1528 TYR A HB3  1 
ATOM   571  H HD1  A TYR A 1 39  ? -2.030  -17.576 -3.943  0.63 32.51  ? 1528 TYR A HD1  1 
ATOM   572  H HD1  B TYR A 1 39  ? -1.600  -18.501 -4.258  0.37 25.86  ? 1528 TYR A HD1  1 
ATOM   573  H HD2  A TYR A 1 39  ? -2.746  -20.304 -6.793  0.63 33.56  ? 1528 TYR A HD2  1 
ATOM   574  H HD2  B TYR A 1 39  ? -3.438  -20.257 -7.370  0.37 25.69  ? 1528 TYR A HD2  1 
ATOM   575  H HE1  A TYR A 1 39  ? -1.924  -19.245 -2.348  0.63 35.92  ? 1528 TYR A HE1  1 
ATOM   576  H HE1  B TYR A 1 39  ? -1.707  -20.488 -3.090  0.37 25.45  ? 1528 TYR A HE1  1 
ATOM   577  H HE2  A TYR A 1 39  ? -2.654  -21.986 -5.183  0.63 35.59  ? 1528 TYR A HE2  1 
ATOM   578  H HE2  B TYR A 1 39  ? -3.530  -22.255 -6.187  0.37 25.91  ? 1528 TYR A HE2  1 
ATOM   579  H HH   A TYR A 1 39  ? -2.078  -21.404 -1.878  0.63 39.84  ? 1528 TYR A HH   1 
ATOM   580  H HH   B TYR A 1 39  ? -2.969  -23.327 -4.276  0.37 27.05  ? 1528 TYR A HH   1 
ATOM   581  N N    . PHE A 1 40  ? -0.392  -16.306 -9.274  1.00 23.48  ? 1529 PHE A N    1 
ATOM   582  C CA   . PHE A 1 40  ? -0.464  -15.378 -10.394 1.00 23.28  ? 1529 PHE A CA   1 
ATOM   583  C C    . PHE A 1 40  ? -1.520  -15.799 -11.399 1.00 24.47  ? 1529 PHE A C    1 
ATOM   584  O O    . PHE A 1 40  ? -1.693  -16.976 -11.666 1.00 27.02  ? 1529 PHE A O    1 
ATOM   585  C CB   . PHE A 1 40  ? 0.869   -15.359 -11.107 1.00 24.69  ? 1529 PHE A CB   1 
ATOM   586  C CG   . PHE A 1 40  ? 1.949   -14.688 -10.342 1.00 26.17  ? 1529 PHE A CG   1 
ATOM   587  C CD1  . PHE A 1 40  ? 1.986   -13.328 -10.277 1.00 29.69  ? 1529 PHE A CD1  1 
ATOM   588  C CD2  . PHE A 1 40  ? 2.899   -15.413 -9.647  1.00 27.33  ? 1529 PHE A CD2  1 
ATOM   589  C CE1  . PHE A 1 40  ? 2.978   -12.685 -9.569  1.00 31.57  ? 1529 PHE A CE1  1 
ATOM   590  C CE2  . PHE A 1 40  ? 3.901   -14.788 -8.959  1.00 28.73  ? 1529 PHE A CE2  1 
ATOM   591  C CZ   . PHE A 1 40  ? 3.931   -13.403 -8.905  1.00 29.24  ? 1529 PHE A CZ   1 
ATOM   592  H H    A PHE A 1 40  ? 0.261   -16.865 -9.300  0.63 28.19  ? 1529 PHE A H    1 
ATOM   593  H H    B PHE A 1 40  ? 0.274   -16.849 -9.305  0.37 28.19  ? 1529 PHE A H    1 
ATOM   594  H HA   . PHE A 1 40  ? -0.690  -14.497 -10.057 1.00 27.95  ? 1529 PHE A HA   1 
ATOM   595  H HB2  . PHE A 1 40  ? 1.147   -16.274 -11.271 1.00 29.64  ? 1529 PHE A HB2  1 
ATOM   596  H HB3  . PHE A 1 40  ? 0.765   -14.888 -11.949 1.00 29.64  ? 1529 PHE A HB3  1 
ATOM   597  H HD1  . PHE A 1 40  ? 1.336   -12.829 -10.716 1.00 35.64  ? 1529 PHE A HD1  1 
ATOM   598  H HD2  . PHE A 1 40  ? 2.856   -16.342 -9.648  1.00 32.81  ? 1529 PHE A HD2  1 
ATOM   599  H HE1  . PHE A 1 40  ? 2.998   -11.756 -9.543  1.00 37.90  ? 1529 PHE A HE1  1 
ATOM   600  H HE2  . PHE A 1 40  ? 4.557   -15.288 -8.530  1.00 34.49  ? 1529 PHE A HE2  1 
ATOM   601  H HZ   . PHE A 1 40  ? 4.595   -12.967 -8.421  1.00 35.11  ? 1529 PHE A HZ   1 
ATOM   602  N N    . LEU A 1 41  ? -2.209  -14.815 -11.975 1.00 24.27  ? 1530 LEU A N    1 
ATOM   603  C CA   . LEU A 1 41  ? -3.092  -15.103 -13.094 1.00 25.97  ? 1530 LEU A CA   1 
ATOM   604  C C    . LEU A 1 41  ? -2.244  -15.430 -14.332 1.00 27.06  ? 1530 LEU A C    1 
ATOM   605  O O    . LEU A 1 41  ? -1.335  -14.674 -14.712 1.00 29.84  ? 1530 LEU A O    1 
ATOM   606  C CB   . LEU A 1 41  ? -3.960  -13.874 -13.379 1.00 25.86  ? 1530 LEU A CB   1 
ATOM   607  C CG   . LEU A 1 41  ? -5.032  -14.144 -14.467 1.00 26.14  ? 1530 LEU A CG   1 
ATOM   608  C CD1  . LEU A 1 41  ? -6.143  -15.075 -14.031 1.00 27.08  ? 1530 LEU A CD1  1 
ATOM   609  C CD2  . LEU A 1 41  ? -5.581  -12.798 -14.889 1.00 28.72  ? 1530 LEU A CD2  1 
ATOM   610  H H    . LEU A 1 41  ? -2.181  -13.988 -11.740 1.00 29.14  ? 1530 LEU A H    1 
ATOM   611  H HA   . LEU A 1 41  ? -3.667  -15.858 -12.889 1.00 31.18  ? 1530 LEU A HA   1 
ATOM   612  H HB2  . LEU A 1 41  ? -4.416  -13.612 -12.564 1.00 31.04  ? 1530 LEU A HB2  1 
ATOM   613  H HB3  . LEU A 1 41  ? -3.392  -13.151 -13.688 1.00 31.04  ? 1530 LEU A HB3  1 
ATOM   614  H HG   . LEU A 1 41  ? -4.619  -14.611 -15.210 1.00 31.38  ? 1530 LEU A HG   1 
ATOM   615  H HD11 . LEU A 1 41  ? -6.796  -15.143 -14.745 1.00 32.52  ? 1530 LEU A HD11 1 
ATOM   616  H HD12 . LEU A 1 41  ? -5.767  -15.948 -13.842 1.00 32.52  ? 1530 LEU A HD12 1 
ATOM   617  H HD13 . LEU A 1 41  ? -6.562  -14.715 -13.234 1.00 32.52  ? 1530 LEU A HD13 1 
ATOM   618  H HD21 . LEU A 1 41  ? -6.218  -12.929 -15.609 1.00 34.48  ? 1530 LEU A HD21 1 
ATOM   619  H HD22 . LEU A 1 41  ? -6.020  -12.383 -14.130 1.00 34.48  ? 1530 LEU A HD22 1 
ATOM   620  H HD23 . LEU A 1 41  ? -4.848  -12.240 -15.193 1.00 34.48  ? 1530 LEU A HD23 1 
ATOM   621  N N    . HIS A 1 42  ? -2.534  -16.577 -14.954 1.00 26.86  ? 1531 HIS A N    1 
ATOM   622  C CA   . HIS A 1 42  ? -1.846  -17.000 -16.163 1.00 29.52  ? 1531 HIS A CA   1 
ATOM   623  C C    . HIS A 1 42  ? -2.149  -16.000 -17.263 1.00 29.81  ? 1531 HIS A C    1 
ATOM   624  O O    . HIS A 1 42  ? -3.287  -15.530 -17.411 1.00 31.20  ? 1531 HIS A O    1 
ATOM   625  C CB   . HIS A 1 42  ? -2.409  -18.359 -16.543 1.00 31.45  ? 1531 HIS A CB   1 
ATOM   626  C CG   . HIS A 1 42  ? -1.599  -19.097 -17.547 1.00 33.85  ? 1531 HIS A CG   1 
ATOM   627  N ND1  . HIS A 1 42  ? -1.467  -18.694 -18.863 1.00 36.56  ? 1531 HIS A ND1  1 
ATOM   628  C CD2  . HIS A 1 42  ? -0.905  -20.253 -17.435 1.00 35.60  ? 1531 HIS A CD2  1 
ATOM   629  C CE1  . HIS A 1 42  ? -0.695  -19.552 -19.505 1.00 37.37  ? 1531 HIS A CE1  1 
ATOM   630  N NE2  . HIS A 1 42  ? -0.343  -20.507 -18.660 1.00 38.07  ? 1531 HIS A NE2  1 
ATOM   631  H H    . HIS A 1 42  ? -3.134  -17.132 -14.688 1.00 32.25  ? 1531 HIS A H    1 
ATOM   632  H HA   . HIS A 1 42  ? -0.885  -17.059 -16.042 1.00 35.44  ? 1531 HIS A HA   1 
ATOM   633  H HB2  . HIS A 1 42  ? -2.459  -18.908 -15.745 1.00 37.76  ? 1531 HIS A HB2  1 
ATOM   634  H HB3  . HIS A 1 42  ? -3.295  -18.234 -16.916 1.00 37.76  ? 1531 HIS A HB3  1 
ATOM   635  H HD2  . HIS A 1 42  ? -0.824  -20.777 -16.670 1.00 42.73  ? 1531 HIS A HD2  1 
ATOM   636  H HE1  . HIS A 1 42  ? -0.441  -19.495 -20.398 1.00 44.86  ? 1531 HIS A HE1  1 
ATOM   637  H HE2  . HIS A 1 42  ? 0.158   -21.180 -18.849 1.00 45.70  ? 1531 HIS A HE2  1 
ATOM   638  N N    . SER A 1 43  ? -1.120  -15.650 -18.024 1.00 33.11  ? 1532 SER A N    1 
ATOM   639  C CA   . SER A 1 43  ? -1.297  -14.628 -19.052 1.00 35.71  ? 1532 SER A CA   1 
ATOM   640  C C    . SER A 1 43  ? -2.378  -15.024 -20.056 1.00 36.58  ? 1532 SER A C    1 
ATOM   641  O O    . SER A 1 43  ? -3.037  -14.145 -20.632 1.00 36.83  ? 1532 SER A O    1 
ATOM   642  C CB   . SER A 1 43  ? -0.009  -14.395 -19.837 1.00 42.22  ? 1532 SER A CB   1 
ATOM   643  O OG   . SER A 1 43  ? 0.693   -15.595 -20.164 1.00 45.05  ? 1532 SER A OG   1 
ATOM   644  H H    . SER A 1 43  ? -0.328  -15.979 -17.969 1.00 39.75  ? 1532 SER A H    1 
ATOM   645  H HA   . SER A 1 43  ? -1.541  -13.809 -18.594 1.00 42.87  ? 1532 SER A HA   1 
ATOM   646  H HB2  . SER A 1 43  ? -0.235  -13.940 -20.663 1.00 50.68  ? 1532 SER A HB2  1 
ATOM   647  H HB3  . SER A 1 43  ? 0.577   -13.838 -19.301 1.00 50.68  ? 1532 SER A HB3  1 
ATOM   648  H HG   . SER A 1 43  ? 1.447   -15.409 -20.483 1.00 54.08  ? 1532 SER A HG   1 
ATOM   649  N N    . GLU A 1 44  ? -2.579  -16.327 -20.274 1.00 37.40  ? 1533 GLU A N    1 
ATOM   650  C CA   . GLU A 1 44  ? -3.570  -16.776 -21.246 1.00 39.44  ? 1533 GLU A CA   1 
ATOM   651  C C    . GLU A 1 44  ? -4.968  -16.344 -20.855 1.00 36.72  ? 1533 GLU A C    1 
ATOM   652  O O    . GLU A 1 44  ? -5.859  -16.294 -21.719 1.00 37.40  ? 1533 GLU A O    1 
ATOM   653  C CB   . GLU A 1 44  ? -3.512  -18.299 -21.401 1.00 46.80  ? 1533 GLU A CB   1 
ATOM   654  H H    . GLU A 1 44  ? -2.158  -16.962 -19.875 1.00 44.89  ? 1533 GLU A H    1 
ATOM   655  H HA   . GLU A 1 44  ? -3.362  -16.388 -22.110 1.00 47.35  ? 1533 GLU A HA   1 
ATOM   656  N N    . SER A 1 45  ? -5.191  -16.045 -19.560 1.00 33.44  ? 1534 SER A N    1 
ATOM   657  C CA   . SER A 1 45  ? -6.531  -15.774 -19.094 1.00 31.78  ? 1534 SER A CA   1 
ATOM   658  C C    . SER A 1 45  ? -6.895  -14.309 -19.230 1.00 33.26  ? 1534 SER A C    1 
ATOM   659  O O    . SER A 1 45  ? -8.060  -13.966 -19.038 1.00 35.60  ? 1534 SER A O    1 
ATOM   660  C CB   . SER A 1 45  ? -6.667  -16.145 -17.595 1.00 31.80  ? 1534 SER A CB   1 
ATOM   661  O OG   . SER A 1 45  ? -6.508  -17.536 -17.396 1.00 31.47  ? 1534 SER A OG   1 
ATOM   662  H H    A SER A 1 45  ? -4.582  -15.998 -18.955 0.69 40.14  ? 1534 SER A H    1 
ATOM   663  H H    B SER A 1 45  ? -4.582  -15.998 -18.955 0.31 40.14  ? 1534 SER A H    1 
ATOM   664  H HA   . SER A 1 45  ? -7.149  -16.317 -19.608 1.00 38.16  ? 1534 SER A HA   1 
ATOM   665  H HB2  . SER A 1 45  ? -5.985  -15.675 -17.091 1.00 38.18  ? 1534 SER A HB2  1 
ATOM   666  H HB3  . SER A 1 45  ? -7.548  -15.883 -17.284 1.00 38.18  ? 1534 SER A HB3  1 
ATOM   667  H HG   . SER A 1 45  ? -7.010  -17.960 -17.919 1.00 37.78  ? 1534 SER A HG   1 
ATOM   668  N N    A LEU A 1 46  ? -5.952  -13.431 -19.585 0.38 34.08  ? 1535 LEU A N    1 
ATOM   669  N N    B LEU A 1 46  ? -5.924  -13.434 -19.546 0.62 34.06  ? 1535 LEU A N    1 
ATOM   670  C CA   A LEU A 1 46  ? -6.266  -12.004 -19.569 0.38 35.26  ? 1535 LEU A CA   1 
ATOM   671  C CA   B LEU A 1 46  ? -6.213  -12.001 -19.589 0.62 35.87  ? 1535 LEU A CA   1 
ATOM   672  C C    A LEU A 1 46  ? -7.323  -11.617 -20.603 0.38 36.94  ? 1535 LEU A C    1 
ATOM   673  C C    B LEU A 1 46  ? -7.330  -11.675 -20.576 0.62 37.43  ? 1535 LEU A C    1 
ATOM   674  O O    A LEU A 1 46  ? -8.184  -10.780 -20.296 0.38 36.82  ? 1535 LEU A O    1 
ATOM   675  O O    B LEU A 1 46  ? -8.256  -10.930 -20.205 0.62 37.18  ? 1535 LEU A O    1 
ATOM   676  C CB   A LEU A 1 46  ? -4.990  -11.155 -19.674 0.38 35.05  ? 1535 LEU A CB   1 
ATOM   677  C CB   B LEU A 1 46  ? -4.931  -11.198 -19.859 0.62 36.51  ? 1535 LEU A CB   1 
ATOM   678  C CG   A LEU A 1 46  ? -4.347  -10.862 -18.312 0.38 34.99  ? 1535 LEU A CG   1 
ATOM   679  C CG   B LEU A 1 46  ? -3.795  -11.247 -18.829 0.62 36.64  ? 1535 LEU A CG   1 
ATOM   680  C CD1  A LEU A 1 46  ? -3.748  -12.138 -17.702 0.38 33.63  ? 1535 LEU A CD1  1 
ATOM   681  C CD1  B LEU A 1 46  ? -2.458  -10.764 -19.435 0.62 35.95  ? 1535 LEU A CD1  1 
ATOM   682  C CD2  A LEU A 1 46  ? -3.293  -9.757  -18.380 0.38 36.05  ? 1535 LEU A CD2  1 
ATOM   683  C CD2  B LEU A 1 46  ? -4.112  -10.416 -17.595 0.62 37.34  ? 1535 LEU A CD2  1 
ATOM   684  H H    A LEU A 1 46  ? -5.152  -13.632 -19.829 0.38 40.91  ? 1535 LEU A H    1 
ATOM   685  H H    B LEU A 1 46  ? -5.112  -13.643 -19.735 0.62 40.89  ? 1535 LEU A H    1 
ATOM   686  H HA   A LEU A 1 46  ? -6.676  -11.799 -18.714 0.38 42.33  ? 1535 LEU A HA   1 
ATOM   687  H HA   B LEU A 1 46  ? -6.518  -11.734 -18.708 0.62 43.06  ? 1535 LEU A HA   1 
ATOM   688  H HB2  A LEU A 1 46  ? -4.341  -11.631 -20.215 0.38 42.07  ? 1535 LEU A HB2  1 
ATOM   689  H HB2  B LEU A 1 46  ? -4.558  -11.518 -20.695 0.62 43.82  ? 1535 LEU A HB2  1 
ATOM   690  H HB3  A LEU A 1 46  ? -5.211  -10.307 -20.090 0.38 42.07  ? 1535 LEU A HB3  1 
ATOM   691  H HB3  B LEU A 1 46  ? -5.185  -10.266 -19.944 0.62 43.82  ? 1535 LEU A HB3  1 
ATOM   692  H HG   A LEU A 1 46  ? -5.051  -10.538 -17.729 0.38 42.00  ? 1535 LEU A HG   1 
ATOM   693  H HG   B LEU A 1 46  ? -3.700  -12.174 -18.560 0.62 43.99  ? 1535 LEU A HG   1 
ATOM   694  H HD11 A LEU A 1 46  ? -3.134  -11.891 -16.992 0.38 40.38  ? 1535 LEU A HD11 1 
ATOM   695  H HD11 B LEU A 1 46  ? -1.767  -10.813 -18.756 0.62 43.16  ? 1535 LEU A HD11 1 
ATOM   696  H HD12 A LEU A 1 46  ? -4.466  -12.684 -17.343 0.38 40.38  ? 1535 LEU A HD12 1 
ATOM   697  H HD12 B LEU A 1 46  ? -2.226  -11.335 -20.184 0.62 43.16  ? 1535 LEU A HD12 1 
ATOM   698  H HD13 A LEU A 1 46  ? -3.275  -12.627 -18.393 0.38 40.38  ? 1535 LEU A HD13 1 
ATOM   699  H HD13 B LEU A 1 46  ? -2.561  -9.848  -19.737 0.62 43.16  ? 1535 LEU A HD13 1 
ATOM   700  H HD21 A LEU A 1 46  ? -2.930  -9.613  -17.492 0.38 43.28  ? 1535 LEU A HD21 1 
ATOM   701  H HD21 B LEU A 1 46  ? -3.365  -10.467 -16.979 0.62 44.82  ? 1535 LEU A HD21 1 
ATOM   702  H HD22 A LEU A 1 46  ? -2.586  -10.032 -18.985 0.38 43.28  ? 1535 LEU A HD22 1 
ATOM   703  H HD22 B LEU A 1 46  ? -4.258  -9.495  -17.863 0.62 44.82  ? 1535 LEU A HD22 1 
ATOM   704  H HD23 A LEU A 1 46  ? -3.709  -8.943  -18.704 0.38 43.28  ? 1535 LEU A HD23 1 
ATOM   705  H HD23 B LEU A 1 46  ? -4.912  -10.768 -17.174 0.62 44.82  ? 1535 LEU A HD23 1 
ATOM   706  N N    . PRO A 1 47  ? -7.321  -12.182 -21.822 1.00 37.39  ? 1536 PRO A N    1 
ATOM   707  C CA   . PRO A 1 47  ? -8.406  -11.827 -22.761 1.00 39.62  ? 1536 PRO A CA   1 
ATOM   708  C C    . PRO A 1 47  ? -9.782  -12.240 -22.278 1.00 42.42  ? 1536 PRO A C    1 
ATOM   709  O O    . PRO A 1 47  ? -10.729 -11.445 -22.361 1.00 44.60  ? 1536 PRO A O    1 
ATOM   710  C CB   . PRO A 1 47  ? -7.998  -12.526 -24.070 1.00 39.50  ? 1536 PRO A CB   1 
ATOM   711  C CG   . PRO A 1 47  ? -6.539  -12.696 -23.976 1.00 38.90  ? 1536 PRO A CG   1 
ATOM   712  C CD   . PRO A 1 47  ? -6.252  -12.941 -22.491 1.00 38.21  ? 1536 PRO A CD   1 
ATOM   713  H HA   . PRO A 1 47  ? -8.403  -10.869 -22.915 1.00 47.55  ? 1536 PRO A HA   1 
ATOM   714  H HB2  . PRO A 1 47  ? -8.444  -13.385 -24.138 1.00 47.42  ? 1536 PRO A HB2  1 
ATOM   715  H HB3  . PRO A 1 47  ? -8.234  -11.969 -24.829 1.00 47.42  ? 1536 PRO A HB3  1 
ATOM   716  H HG2  . PRO A 1 47  ? -6.262  -13.456 -24.511 1.00 46.70  ? 1536 PRO A HG2  1 
ATOM   717  H HG3  . PRO A 1 47  ? -6.094  -11.892 -24.286 1.00 46.70  ? 1536 PRO A HG3  1 
ATOM   718  H HD2  . PRO A 1 47  ? -6.312  -13.886 -22.278 1.00 45.87  ? 1536 PRO A HD2  1 
ATOM   719  H HD3  . PRO A 1 47  ? -5.378  -12.600 -22.246 1.00 45.87  ? 1536 PRO A HD3  1 
ATOM   720  N N    . ALA A 1 48  ? -9.898  -13.452 -21.731 1.00 42.94  ? 1537 ALA A N    1 
ATOM   721  C CA   . ALA A 1 48  ? -11.176 -13.961 -21.245 1.00 45.21  ? 1537 ALA A CA   1 
ATOM   722  C C    . ALA A 1 48  ? -11.762 -13.084 -20.149 1.00 45.43  ? 1537 ALA A C    1 
ATOM   723  O O    . ALA A 1 48  ? -12.987 -12.996 -20.002 1.00 47.22  ? 1537 ALA A O    1 
ATOM   724  C CB   . ALA A 1 48  ? -10.969 -15.367 -20.654 1.00 45.92  ? 1537 ALA A CB   1 
ATOM   725  H H    . ALA A 1 48  ? -9.246  -14.004 -21.630 1.00 51.55  ? 1537 ALA A H    1 
ATOM   726  H HA   . ALA A 1 48  ? -11.792 -13.991 -21.994 1.00 54.27  ? 1537 ALA A HA   1 
ATOM   727  H HB1  . ALA A 1 48  ? -11.739 -15.597 -20.109 1.00 55.12  ? 1537 ALA A HB1  1 
ATOM   728  H HB2  . ALA A 1 48  ? -10.875 -16.004 -21.379 1.00 55.12  ? 1537 ALA A HB2  1 
ATOM   729  H HB3  . ALA A 1 48  ? -10.167 -15.366 -20.108 1.00 55.12  ? 1537 ALA A HB3  1 
ATOM   730  N N    . LEU A 1 49  ? -10.915 -12.467 -19.347 1.00 42.25  ? 1538 LEU A N    1 
ATOM   731  C CA   . LEU A 1 49  ? -11.365 -11.629 -18.250 1.00 39.91  ? 1538 LEU A CA   1 
ATOM   732  C C    . LEU A 1 49  ? -11.416 -10.160 -18.612 1.00 41.85  ? 1538 LEU A C    1 
ATOM   733  O O    . LEU A 1 49  ? -11.667 -9.324  -17.739 1.00 42.01  ? 1538 LEU A O    1 
ATOM   734  C CB   . LEU A 1 49  ? -10.436 -11.825 -17.067 1.00 37.20  ? 1538 LEU A CB   1 
ATOM   735  C CG   . LEU A 1 49  ? -10.564 -13.176 -16.373 1.00 36.21  ? 1538 LEU A CG   1 
ATOM   736  C CD1  . LEU A 1 49  ? -9.359  -13.409 -15.541 1.00 35.87  ? 1538 LEU A CD1  1 
ATOM   737  C CD2  . LEU A 1 49  ? -11.829 -13.171 -15.530 1.00 38.35  ? 1538 LEU A CD2  1 
ATOM   738  H H    . LEU A 1 49  ? -10.059 -12.518 -19.418 1.00 50.71  ? 1538 LEU A H    1 
ATOM   739  H HA   . LEU A 1 49  ? -12.262 -11.899 -17.998 1.00 47.90  ? 1538 LEU A HA   1 
ATOM   740  H HB2  . LEU A 1 49  ? -9.521  -11.741 -17.377 1.00 44.66  ? 1538 LEU A HB2  1 
ATOM   741  H HB3  . LEU A 1 49  ? -10.628 -11.139 -16.409 1.00 44.66  ? 1538 LEU A HB3  1 
ATOM   742  H HG   . LEU A 1 49  ? -10.627 -13.901 -17.014 1.00 43.47  ? 1538 LEU A HG   1 
ATOM   743  H HD11 . LEU A 1 49  ? -9.462  -14.248 -15.064 1.00 43.06  ? 1538 LEU A HD11 1 
ATOM   744  H HD12 . LEU A 1 49  ? -8.580  -13.450 -16.117 1.00 43.06  ? 1538 LEU A HD12 1 
ATOM   745  H HD13 . LEU A 1 49  ? -9.266  -12.679 -14.909 1.00 43.06  ? 1538 LEU A HD13 1 
ATOM   746  H HD21 . LEU A 1 49  ? -11.878 -14.000 -15.030 1.00 46.04  ? 1538 LEU A HD21 1 
ATOM   747  H HD22 . LEU A 1 49  ? -11.798 -12.418 -14.920 1.00 46.04  ? 1538 LEU A HD22 1 
ATOM   748  H HD23 . LEU A 1 49  ? -12.598 -13.091 -16.116 1.00 46.04  ? 1538 LEU A HD23 1 
ATOM   749  N N    . ASP A 1 50  ? -11.173 -9.833  -19.865 1.00 43.41  ? 1539 ASP A N    1 
ATOM   750  C CA   . ASP A 1 50  ? -11.176 -8.452  -20.334 1.00 47.06  ? 1539 ASP A CA   1 
ATOM   751  C C    . ASP A 1 50  ? -10.159 -7.619  -19.556 1.00 43.22  ? 1539 ASP A C    1 
ATOM   752  O O    . ASP A 1 50  ? -10.412 -6.471  -19.192 1.00 45.04  ? 1539 ASP A O    1 
ATOM   753  C CB   . ASP A 1 50  ? -12.561 -7.813  -20.260 1.00 54.32  ? 1539 ASP A CB   1 
ATOM   754  C CG   . ASP A 1 50  ? -12.679 -6.621  -21.183 1.00 60.83  ? 1539 ASP A CG   1 
ATOM   755  O OD1  . ASP A 1 50  ? -13.646 -5.860  -21.020 1.00 63.39  ? 1539 ASP A OD1  1 
ATOM   756  O OD2  . ASP A 1 50  ? -11.837 -6.481  -22.107 1.00 63.32  ? 1539 ASP A OD2  1 
ATOM   757  H H    . ASP A 1 50  ? -10.997 -10.404 -20.484 1.00 52.11  ? 1539 ASP A H    1 
ATOM   758  H HA   . ASP A 1 50  ? -10.919 -8.458  -21.270 1.00 56.49  ? 1539 ASP A HA   1 
ATOM   759  H HB2  . ASP A 1 50  ? -13.229 -8.467  -20.520 1.00 65.20  ? 1539 ASP A HB2  1 
ATOM   760  H HB3  . ASP A 1 50  ? -12.727 -7.513  -19.353 1.00 65.20  ? 1539 ASP A HB3  1 
ATOM   761  N N    . LEU A 1 51  ? -8.997  -8.196  -19.321 1.00 39.58  ? 1540 LEU A N    1 
ATOM   762  C CA   . LEU A 1 51  ? -7.874  -7.516  -18.707 1.00 40.75  ? 1540 LEU A CA   1 
ATOM   763  C C    . LEU A 1 51  ? -6.785  -7.355  -19.750 1.00 46.86  ? 1540 LEU A C    1 
ATOM   764  O O    . LEU A 1 51  ? -6.853  -7.951  -20.827 1.00 48.14  ? 1540 LEU A O    1 
ATOM   765  C CB   . LEU A 1 51  ? -7.348  -8.348  -17.543 1.00 36.30  ? 1540 LEU A CB   1 
ATOM   766  C CG   . LEU A 1 51  ? -8.352  -8.582  -16.407 1.00 33.32  ? 1540 LEU A CG   1 
ATOM   767  C CD1  . LEU A 1 51  ? -7.740  -9.540  -15.423 1.00 32.12  ? 1540 LEU A CD1  1 
ATOM   768  C CD2  . LEU A 1 51  ? -8.680  -7.235  -15.780 1.00 34.14  ? 1540 LEU A CD2  1 
ATOM   769  H H    . LEU A 1 51  ? -8.827  -9.016  -19.516 1.00 47.51  ? 1540 LEU A H    1 
ATOM   770  H HA   . LEU A 1 51  ? -8.137  -6.643  -18.376 1.00 48.92  ? 1540 LEU A HA   1 
ATOM   771  H HB2  . LEU A 1 51  ? -7.085  -9.218  -17.882 1.00 43.57  ? 1540 LEU A HB2  1 
ATOM   772  H HB3  . LEU A 1 51  ? -6.580  -7.894  -17.163 1.00 43.57  ? 1540 LEU A HB3  1 
ATOM   773  H HG   . LEU A 1 51  ? -9.184  -8.974  -16.717 1.00 40.00  ? 1540 LEU A HG   1 
ATOM   774  H HD11 . LEU A 1 51  ? -8.351  -9.664  -14.681 1.00 38.55  ? 1540 LEU A HD11 1 
ATOM   775  H HD12 . LEU A 1 51  ? -7.581  -10.388 -15.866 1.00 38.55  ? 1540 LEU A HD12 1 
ATOM   776  H HD13 . LEU A 1 51  ? -6.902  -9.171  -15.104 1.00 38.55  ? 1540 LEU A HD13 1 
ATOM   777  H HD21 . LEU A 1 51  ? -9.164  -7.381  -14.952 1.00 40.98  ? 1540 LEU A HD21 1 
ATOM   778  H HD22 . LEU A 1 51  ? -7.853  -6.760  -15.600 1.00 40.98  ? 1540 LEU A HD22 1 
ATOM   779  H HD23 . LEU A 1 51  ? -9.227  -6.724  -16.397 1.00 40.98  ? 1540 LEU A HD23 1 
ATOM   780  N N    . LYS A 1 52  ? -5.795  -6.528  -19.442 1.00 50.66  ? 1541 LYS A N    1 
ATOM   781  C CA   . LYS A 1 52  ? -4.701  -6.218  -20.354 1.00 54.65  ? 1541 LYS A CA   1 
ATOM   782  C C    . LYS A 1 52  ? -3.394  -6.318  -19.579 1.00 60.82  ? 1541 LYS A C    1 
ATOM   783  O O    . LYS A 1 52  ? -3.399  -6.313  -18.350 1.00 60.12  ? 1541 LYS A O    1 
ATOM   784  C CB   . LYS A 1 52  ? -4.867  -4.805  -20.938 1.00 51.79  ? 1541 LYS A CB   1 
ATOM   785  H H    . LYS A 1 52  ? -5.734  -6.121  -18.687 1.00 60.81  ? 1541 LYS A H    1 
ATOM   786  H HA   . LYS A 1 52  ? -4.678  -6.847  -21.092 1.00 65.60  ? 1541 LYS A HA   1 
ATOM   787  N N    . PRO A 1 53  ? -2.255  -6.385  -20.256 1.00 67.72  ? 1542 PRO A N    1 
ATOM   788  C CA   . PRO A 1 53  ? -0.883  -6.603  -19.782 1.00 74.71  ? 1542 PRO A CA   1 
ATOM   789  C C    . PRO A 1 53  ? -0.077  -5.349  -19.997 1.00 73.70  ? 1542 PRO A C    1 
ATOM   790  O O    . PRO A 1 53  ? 0.199   -4.673  -19.013 1.00 73.61  ? 1542 PRO A O    1 
ATOM   791  C CB   . PRO A 1 53  ? -0.346  -7.752  -20.658 1.00 82.38  ? 1542 PRO A CB   1 
ATOM   792  H HA   . PRO A 1 53  ? -0.856  -6.898  -18.859 1.00 89.67  ? 1542 PRO A HA   1 
ATOM   793  N N    . ARG A 1 62  ? -5.979  0.795   -15.291 1.00 61.35  ? 1551 ARG A N    1 
ATOM   794  C CA   . ARG A 1 62  ? -6.269  -0.634  -15.339 1.00 59.04  ? 1551 ARG A CA   1 
ATOM   795  C C    . ARG A 1 62  ? -7.425  -1.031  -14.409 1.00 56.67  ? 1551 ARG A C    1 
ATOM   796  O O    . ARG A 1 62  ? -7.659  -0.405  -13.373 1.00 57.79  ? 1551 ARG A O    1 
ATOM   797  C CB   . ARG A 1 62  ? -5.012  -1.455  -15.000 1.00 58.84  ? 1551 ARG A CB   1 
ATOM   798  H HA   . ARG A 1 62  ? -6.544  -0.850  -16.243 1.00 70.87  ? 1551 ARG A HA   1 
ATOM   799  N N    . ARG A 1 63  ? -8.170  -2.054  -14.815 1.00 51.70  ? 1552 ARG A N    1 
ATOM   800  C CA   . ARG A 1 63  ? -9.199  -2.645  -13.974 1.00 46.48  ? 1552 ARG A CA   1 
ATOM   801  C C    . ARG A 1 63  ? -8.509  -3.120  -12.702 1.00 41.67  ? 1552 ARG A C    1 
ATOM   802  O O    . ARG A 1 63  ? -7.551  -3.907  -12.791 1.00 39.66  ? 1552 ARG A O    1 
ATOM   803  C CB   . ARG A 1 63  ? -9.818  -3.816  -14.719 1.00 47.94  ? 1552 ARG A CB   1 
ATOM   804  H H    . ARG A 1 63  ? -8.097  -2.429  -15.586 1.00 62.05  ? 1552 ARG A H    1 
ATOM   805  H HA   . ARG A 1 63  ? -9.907  -2.019  -13.752 1.00 55.79  ? 1552 ARG A HA   1 
ATOM   806  N N    . PRO A 1 64  ? -8.914  -2.644  -11.512 1.00 38.85  ? 1553 PRO A N    1 
ATOM   807  C CA   . PRO A 1 64  ? -8.175  -3.008  -10.294 1.00 35.36  ? 1553 PRO A CA   1 
ATOM   808  C C    . PRO A 1 64  ? -8.473  -4.410  -9.834  1.00 31.50  ? 1553 PRO A C    1 
ATOM   809  O O    . PRO A 1 64  ? -7.636  -5.006  -9.131  1.00 30.84  ? 1553 PRO A O    1 
ATOM   810  C CB   . PRO A 1 64  ? -8.672  -2.003  -9.252  1.00 37.37  ? 1553 PRO A CB   1 
ATOM   811  C CG   . PRO A 1 64  ? -10.063 -1.647  -9.722  1.00 39.83  ? 1553 PRO A CG   1 
ATOM   812  C CD   . PRO A 1 64  ? -9.966  -1.632  -11.239 1.00 40.76  ? 1553 PRO A CD   1 
ATOM   813  H HA   . PRO A 1 64  ? -7.223  -2.883  -10.428 1.00 42.45  ? 1553 PRO A HA   1 
ATOM   814  H HB2  . PRO A 1 64  ? -8.693  -2.415  -8.375  1.00 44.86  ? 1553 PRO A HB2  1 
ATOM   815  H HB3  . PRO A 1 64  ? -8.096  -1.223  -9.239  1.00 44.86  ? 1553 PRO A HB3  1 
ATOM   816  H HG2  . PRO A 1 64  ? -10.697 -2.316  -9.420  1.00 47.82  ? 1553 PRO A HG2  1 
ATOM   817  H HG3  . PRO A 1 64  ? -10.315 -0.774  -9.381  1.00 47.82  ? 1553 PRO A HG3  1 
ATOM   818  H HD2  . PRO A 1 64  ? -10.809 -1.891  -11.643 1.00 48.93  ? 1553 PRO A HD2  1 
ATOM   819  H HD3  . PRO A 1 64  ? -9.699  -0.757  -11.561 1.00 48.93  ? 1553 PRO A HD3  1 
ATOM   820  N N    . TRP A 1 65  ? -9.629  -4.953  -10.199 1.00 31.06  ? 1554 TRP A N    1 
ATOM   821  C CA   . TRP A 1 65  ? -10.011 -6.286  -9.765  1.00 28.13  ? 1554 TRP A CA   1 
ATOM   822  C C    . TRP A 1 65  ? -11.174 -6.759  -10.617 1.00 25.11  ? 1554 TRP A C    1 
ATOM   823  O O    . TRP A 1 65  ? -11.909 -5.947  -11.216 1.00 29.02  ? 1554 TRP A O    1 
ATOM   824  C CB   . TRP A 1 65  ? -10.437 -6.229  -8.295  1.00 28.55  ? 1554 TRP A CB   1 
ATOM   825  C CG   . TRP A 1 65  ? -11.667 -5.359  -8.014  1.00 30.02  ? 1554 TRP A CG   1 
ATOM   826  C CD1  . TRP A 1 65  ? -11.674 -4.033  -7.637  1.00 31.41  ? 1554 TRP A CD1  1 
ATOM   827  C CD2  . TRP A 1 65  ? -13.040 -5.750  -8.079  1.00 29.42  ? 1554 TRP A CD2  1 
ATOM   828  N NE1  . TRP A 1 65  ? -12.959 -3.591  -7.470  1.00 32.26  ? 1554 TRP A NE1  1 
ATOM   829  C CE2  . TRP A 1 65  ? -13.821 -4.613  -7.750  1.00 30.39  ? 1554 TRP A CE2  1 
ATOM   830  C CE3  . TRP A 1 65  ? -13.692 -6.937  -8.426  1.00 29.73  ? 1554 TRP A CE3  1 
ATOM   831  C CZ2  . TRP A 1 65  ? -15.202 -4.650  -7.708  1.00 30.99  ? 1554 TRP A CZ2  1 
ATOM   832  C CZ3  . TRP A 1 65  ? -15.073 -6.964  -8.406  1.00 31.95  ? 1554 TRP A CZ3  1 
ATOM   833  C CH2  . TRP A 1 65  ? -15.814 -5.829  -8.029  1.00 32.19  ? 1554 TRP A CH2  1 
ATOM   834  H H    . TRP A 1 65  ? -10.211 -4.566  -10.700 1.00 37.28  ? 1554 TRP A H    1 
ATOM   835  H HA   . TRP A 1 65  ? -9.276  -6.908  -9.881  1.00 33.78  ? 1554 TRP A HA   1 
ATOM   836  H HB2  . TRP A 1 65  ? -10.643 -7.130  -8.000  1.00 34.28  ? 1554 TRP A HB2  1 
ATOM   837  H HB3  . TRP A 1 65  ? -9.701  -5.870  -7.775  1.00 34.28  ? 1554 TRP A HB3  1 
ATOM   838  H HD1  . TRP A 1 65  ? -10.913 -3.513  -7.513  1.00 37.71  ? 1554 TRP A HD1  1 
ATOM   839  H HE1  . TRP A 1 65  ? -13.187 -2.797  -7.228  1.00 38.72  ? 1554 TRP A HE1  1 
ATOM   840  H HE3  . TRP A 1 65  ? -13.206 -7.693  -8.666  1.00 35.69  ? 1554 TRP A HE3  1 
ATOM   841  H HZ2  . TRP A 1 65  ? -15.697 -3.900  -7.469  1.00 37.21  ? 1554 TRP A HZ2  1 
ATOM   842  H HZ3  . TRP A 1 65  ? -15.519 -7.744  -8.646  1.00 38.36  ? 1554 TRP A HZ3  1 
ATOM   843  H HH2  . TRP A 1 65  ? -16.742 -5.882  -7.998  1.00 38.65  ? 1554 TRP A HH2  1 
ATOM   844  N N    . VAL A 1 66  ? -11.339 -8.079  -10.639 1.00 25.93  ? 1555 VAL A N    1 
ATOM   845  C CA   . VAL A 1 66  ? -12.437 -8.732  -11.338 1.00 26.66  ? 1555 VAL A CA   1 
ATOM   846  C C    . VAL A 1 66  ? -12.684 -10.044 -10.610 1.00 24.04  ? 1555 VAL A C    1 
ATOM   847  O O    . VAL A 1 66  ? -11.771 -10.627 -10.040 1.00 24.89  ? 1555 VAL A O    1 
ATOM   848  C CB   . VAL A 1 66  ? -12.113 -8.959  -12.826 1.00 29.48  ? 1555 VAL A CB   1 
ATOM   849  C CG1  . VAL A 1 66  ? -10.976 -9.943  -13.027 1.00 32.04  ? 1555 VAL A CG1  1 
ATOM   850  C CG2  . VAL A 1 66  ? -13.346 -9.443  -13.524 1.00 34.52  ? 1555 VAL A CG2  1 
ATOM   851  H H    . VAL A 1 66  ? -10.812 -8.632  -10.244 1.00 31.13  ? 1555 VAL A H    1 
ATOM   852  H HA   . VAL A 1 66  ? -13.238 -8.187  -11.301 1.00 32.00  ? 1555 VAL A HA   1 
ATOM   853  H HB   . VAL A 1 66  ? -11.820 -8.117  -13.209 1.00 35.39  ? 1555 VAL A HB   1 
ATOM   854  H HG11 . VAL A 1 66  ? -10.804 -10.037 -13.977 1.00 38.46  ? 1555 VAL A HG11 1 
ATOM   855  H HG12 . VAL A 1 66  ? -10.184 -9.606  -12.579 1.00 38.46  ? 1555 VAL A HG12 1 
ATOM   856  H HG13 . VAL A 1 66  ? -11.230 -10.799 -12.650 1.00 38.46  ? 1555 VAL A HG13 1 
ATOM   857  H HG21 . VAL A 1 66  ? -13.156 -9.540  -14.471 1.00 41.44  ? 1555 VAL A HG21 1 
ATOM   858  H HG22 . VAL A 1 66  ? -13.606 -10.299 -13.150 1.00 41.44  ? 1555 VAL A HG22 1 
ATOM   859  H HG23 . VAL A 1 66  ? -14.057 -8.796  -13.395 1.00 41.44  ? 1555 VAL A HG23 1 
ATOM   860  N N    . LEU A 1 67  ? -13.911 -10.506 -10.617 1.00 26.30  ? 1556 LEU A N    1 
ATOM   861  C CA   . LEU A 1 67  ? -14.218 -11.810 -10.066 1.00 24.94  ? 1556 LEU A CA   1 
ATOM   862  C C    . LEU A 1 67  ? -14.064 -12.870 -11.141 1.00 26.21  ? 1556 LEU A C    1 
ATOM   863  O O    . LEU A 1 67  ? -14.469 -12.661 -12.293 1.00 30.04  ? 1556 LEU A O    1 
ATOM   864  C CB   . LEU A 1 67  ? -15.639 -11.844 -9.511  1.00 27.78  ? 1556 LEU A CB   1 
ATOM   865  C CG   . LEU A 1 67  ? -15.866 -11.099 -8.205  1.00 30.28  ? 1556 LEU A CG   1 
ATOM   866  C CD1  . LEU A 1 67  ? -17.342 -10.915 -7.980  1.00 34.72  ? 1556 LEU A CD1  1 
ATOM   867  C CD2  . LEU A 1 67  ? -15.269 -11.802 -7.022  1.00 31.51  ? 1556 LEU A CD2  1 
ATOM   868  H H    . LEU A 1 67  ? -14.589 -10.084 -10.934 1.00 31.58  ? 1556 LEU A H    1 
ATOM   869  H HA   . LEU A 1 67  ? -13.606 -12.006 -9.340  1.00 29.94  ? 1556 LEU A HA   1 
ATOM   870  H HB2  . LEU A 1 67  ? -16.231 -11.452 -10.171 1.00 33.35  ? 1556 LEU A HB2  1 
ATOM   871  H HB3  . LEU A 1 67  ? -15.881 -12.771 -9.358  1.00 33.35  ? 1556 LEU A HB3  1 
ATOM   872  H HG   . LEU A 1 67  ? -15.423 -10.239 -8.276  1.00 36.35  ? 1556 LEU A HG   1 
ATOM   873  H HD11 . LEU A 1 67  ? -17.480 -10.488 -7.121  1.00 41.68  ? 1556 LEU A HD11 1 
ATOM   874  H HD12 . LEU A 1 67  ? -17.702 -10.359 -8.688  1.00 41.68  ? 1556 LEU A HD12 1 
ATOM   875  H HD13 . LEU A 1 67  ? -17.774 -11.784 -7.991  1.00 41.68  ? 1556 LEU A HD13 1 
ATOM   876  H HD21 . LEU A 1 67  ? -15.495 -11.312 -6.217  1.00 37.83  ? 1556 LEU A HD21 1 
ATOM   877  H HD22 . LEU A 1 67  ? -15.631 -12.701 -6.974  1.00 37.83  ? 1556 LEU A HD22 1 
ATOM   878  H HD23 . LEU A 1 67  ? -14.306 -11.838 -7.129  1.00 37.83  ? 1556 LEU A HD23 1 
ATOM   879  N N    . GLY A 1 68  ? -13.552 -14.034 -10.756 1.00 25.20  ? 1557 GLY A N    1 
ATOM   880  C CA   . GLY A 1 68  ? -13.415 -15.115 -11.713 1.00 25.93  ? 1557 GLY A CA   1 
ATOM   881  C C    . GLY A 1 68  ? -13.584 -16.466 -11.065 1.00 25.27  ? 1557 GLY A C    1 
ATOM   882  O O    . GLY A 1 68  ? -13.695 -16.584 -9.840  1.00 26.15  ? 1557 GLY A O    1 
ATOM   883  H H    . GLY A 1 68  ? -13.284 -14.217 -9.960  1.00 30.26  ? 1557 GLY A H    1 
ATOM   884  H HA2  . GLY A 1 68  ? -14.087 -15.021 -12.406 1.00 31.14  ? 1557 GLY A HA2  1 
ATOM   885  H HA3  . GLY A 1 68  ? -12.535 -15.077 -12.119 1.00 31.14  ? 1557 GLY A HA3  1 
ATOM   886  N N    . LYS A 1 69  ? -13.569 -17.503 -11.897 1.00 25.44  ? 1558 LYS A N    1 
ATOM   887  C CA   . LYS A 1 69  ? -13.573 -18.890 -11.442 1.00 27.18  ? 1558 LYS A CA   1 
ATOM   888  C C    . LYS A 1 69  ? -12.282 -19.576 -11.857 1.00 24.36  ? 1558 LYS A C    1 
ATOM   889  O O    . LYS A 1 69  ? -11.862 -19.485 -13.016 1.00 25.83  ? 1558 LYS A O    1 
ATOM   890  C CB   . LYS A 1 69  ? -14.826 -19.639 -11.915 1.00 33.14  ? 1558 LYS A CB   1 
ATOM   891  C CG   . LYS A 1 69  ? -15.963 -19.511 -10.866 1.00 39.24  ? 1558 LYS A CG   1 
ATOM   892  C CD   . LYS A 1 69  ? -16.949 -20.679 -10.935 1.00 44.44  ? 1558 LYS A CD   1 
ATOM   893  C CE   . LYS A 1 69  ? -18.010 -20.547 -9.821  1.00 48.66  ? 1558 LYS A CE   1 
ATOM   894  N NZ   . LYS A 1 69  ? -19.038 -21.649 -9.890  1.00 50.85  ? 1558 LYS A NZ   1 
ATOM   895  H H    . LYS A 1 69  ? -13.556 -17.426 -12.754 1.00 30.55  ? 1558 LYS A H    1 
ATOM   896  H HA   . LYS A 1 69  ? -13.591 -18.915 -10.472 1.00 32.63  ? 1558 LYS A HA   1 
ATOM   897  H HB2  . LYS A 1 69  ? -15.133 -19.261 -12.753 1.00 39.78  ? 1558 LYS A HB2  1 
ATOM   898  H HB3  . LYS A 1 69  ? -14.617 -20.579 -12.032 1.00 39.78  ? 1558 LYS A HB3  1 
ATOM   899  H HG2  . LYS A 1 69  ? -15.575 -19.495 -9.977  1.00 47.10  ? 1558 LYS A HG2  1 
ATOM   900  H HG3  . LYS A 1 69  ? -16.455 -18.691 -11.028 1.00 47.10  ? 1558 LYS A HG3  1 
ATOM   901  H HD2  . LYS A 1 69  ? -17.399 -20.676 -11.794 1.00 53.34  ? 1558 LYS A HD2  1 
ATOM   902  H HD3  . LYS A 1 69  ? -16.473 -21.516 -10.813 1.00 53.34  ? 1558 LYS A HD3  1 
ATOM   903  H HE2  . LYS A 1 69  ? -17.572 -20.593 -8.956  1.00 58.41  ? 1558 LYS A HE2  1 
ATOM   904  H HE3  . LYS A 1 69  ? -18.468 -19.697 -9.916  1.00 58.41  ? 1558 LYS A HE3  1 
ATOM   905  H HZ1  . LYS A 1 69  ? -19.646 -21.539 -9.249  1.00 61.04  ? 1558 LYS A HZ1  1 
ATOM   906  H HZ2  . LYS A 1 69  ? -19.447 -21.636 -10.680 1.00 61.04  ? 1558 LYS A HZ2  1 
ATOM   907  H HZ3  . LYS A 1 69  ? -18.645 -22.440 -9.781  1.00 61.04  ? 1558 LYS A HZ3  1 
ATOM   908  N N    . VAL A 1 70  ? -11.648 -20.267 -10.906 1.00 23.57  ? 1559 VAL A N    1 
ATOM   909  C CA   . VAL A 1 70  ? -10.422 -20.999 -11.181 1.00 24.44  ? 1559 VAL A CA   1 
ATOM   910  C C    . VAL A 1 70  ? -10.744 -22.184 -12.085 1.00 25.84  ? 1559 VAL A C    1 
ATOM   911  O O    . VAL A 1 70  ? -11.627 -23.019 -11.776 1.00 28.32  ? 1559 VAL A O    1 
ATOM   912  C CB   . VAL A 1 70  ? -9.807  -21.508 -9.861  1.00 23.54  ? 1559 VAL A CB   1 
ATOM   913  C CG1  . VAL A 1 70  ? -8.595  -22.396 -10.152 1.00 27.22  ? 1559 VAL A CG1  1 
ATOM   914  C CG2  . VAL A 1 70  ? -9.477  -20.358 -8.935  1.00 25.52  ? 1559 VAL A CG2  1 
ATOM   915  H H    . VAL A 1 70  ? -11.913 -20.325 -10.090 1.00 28.30  ? 1559 VAL A H    1 
ATOM   916  H HA   . VAL A 1 70  ? -9.794  -20.410 -11.627 1.00 29.35  ? 1559 VAL A HA   1 
ATOM   917  H HB   . VAL A 1 70  ? -10.457 -22.055 -9.393  1.00 28.26  ? 1559 VAL A HB   1 
ATOM   918  H HG11 . VAL A 1 70  ? -8.093  -22.523 -9.332  1.00 32.68  ? 1559 VAL A HG11 1 
ATOM   919  H HG12 . VAL A 1 70  ? -8.904  -23.252 -10.488 1.00 32.68  ? 1559 VAL A HG12 1 
ATOM   920  H HG13 . VAL A 1 70  ? -8.038  -21.962 -10.817 1.00 32.68  ? 1559 VAL A HG13 1 
ATOM   921  H HG21 . VAL A 1 70  ? -9.036  -20.706 -8.144  1.00 30.64  ? 1559 VAL A HG21 1 
ATOM   922  H HG22 . VAL A 1 70  ? -8.889  -19.740 -9.396  1.00 30.64  ? 1559 VAL A HG22 1 
ATOM   923  H HG23 . VAL A 1 70  ? -10.299 -19.908 -8.684  1.00 30.64  ? 1559 VAL A HG23 1 
ATOM   924  N N    . MET A 1 71  ? -9.981  -22.313 -13.172 1.00 25.51  ? 1560 MET A N    1 
ATOM   925  C CA   . MET A 1 71  ? -10.161 -23.366 -14.157 1.00 27.89  ? 1560 MET A CA   1 
ATOM   926  C C    . MET A 1 71  ? -8.997  -24.353 -14.174 1.00 30.26  ? 1560 MET A C    1 
ATOM   927  O O    . MET A 1 71  ? -9.187  -25.502 -14.576 1.00 32.95  ? 1560 MET A O    1 
ATOM   928  C CB   . MET A 1 71  ? -10.229 -22.724 -15.536 1.00 32.68  ? 1560 MET A CB   1 
ATOM   929  C CG   . MET A 1 71  ? -11.446 -21.897 -15.858 1.00 37.86  ? 1560 MET A CG   1 
ATOM   930  S SD   . MET A 1 71  ? -13.012 -22.492 -15.314 1.00 43.63  ? 1560 MET A SD   1 
ATOM   931  C CE   . MET A 1 71  ? -13.383 -23.541 -16.708 1.00 45.37  ? 1560 MET A CE   1 
ATOM   932  H H    . MET A 1 71  ? -9.333  -21.782 -13.364 1.00 30.63  ? 1560 MET A H    1 
ATOM   933  H HA   . MET A 1 71  ? -10.986 -23.845 -13.980 1.00 33.48  ? 1560 MET A HA   1 
ATOM   934  H HB2  . MET A 1 71  ? -9.460  -22.140 -15.630 1.00 39.23  ? 1560 MET A HB2  1 
ATOM   935  H HB3  . MET A 1 71  ? -10.189 -23.434 -16.196 1.00 39.23  ? 1560 MET A HB3  1 
ATOM   936  H HG2  . MET A 1 71  ? -11.325 -21.023 -15.455 1.00 45.45  ? 1560 MET A HG2  1 
ATOM   937  H HG3  . MET A 1 71  ? -11.501 -21.813 -16.823 1.00 45.45  ? 1560 MET A HG3  1 
ATOM   938  H HE1  . MET A 1 71  ? -14.238 -23.974 -16.559 1.00 54.46  ? 1560 MET A HE1  1 
ATOM   939  H HE2  . MET A 1 71  ? -13.424 -22.997 -17.511 1.00 54.46  ? 1560 MET A HE2  1 
ATOM   940  H HE3  . MET A 1 71  ? -12.685 -24.208 -16.796 1.00 54.46  ? 1560 MET A HE3  1 
ATOM   941  N N    . GLU A 1 72  ? -7.799  -23.925 -13.797 1.00 28.98  ? 1561 GLU A N    1 
ATOM   942  C CA   . GLU A 1 72  ? -6.600  -24.754 -13.897 1.00 30.34  ? 1561 GLU A CA   1 
ATOM   943  C C    . GLU A 1 72  ? -5.530  -24.096 -13.040 1.00 29.63  ? 1561 GLU A C    1 
ATOM   944  O O    . GLU A 1 72  ? -5.496  -22.874 -12.947 1.00 27.56  ? 1561 GLU A O    1 
ATOM   945  C CB   . GLU A 1 72  ? -6.066  -24.806 -15.337 1.00 34.92  ? 1561 GLU A CB   1 
ATOM   946  C CG   . GLU A 1 72  ? -5.110  -25.921 -15.645 1.00 39.66  ? 1561 GLU A CG   1 
ATOM   947  C CD   . GLU A 1 72  ? -5.253  -26.405 -17.093 1.00 43.57  ? 1561 GLU A CD   1 
ATOM   948  O OE1  . GLU A 1 72  ? -5.304  -25.539 -17.992 1.00 43.73  ? 1561 GLU A OE1  1 
ATOM   949  O OE2  . GLU A 1 72  ? -5.274  -27.625 -17.397 1.00 46.16  ? 1561 GLU A OE2  1 
ATOM   950  H H    . GLU A 1 72  ? -7.649  -23.143 -13.474 1.00 34.80  ? 1561 GLU A H    1 
ATOM   951  H HA   . GLU A 1 72  ? -6.801  -25.652 -13.590 1.00 36.42  ? 1561 GLU A HA   1 
ATOM   952  H HB2  . GLU A 1 72  ? -6.822  -24.902 -15.937 1.00 41.92  ? 1561 GLU A HB2  1 
ATOM   953  H HB3  . GLU A 1 72  ? -5.602  -23.973 -15.518 1.00 41.92  ? 1561 GLU A HB3  1 
ATOM   954  H HG2  . GLU A 1 72  ? -4.201  -25.609 -15.516 1.00 47.60  ? 1561 GLU A HG2  1 
ATOM   955  H HG3  . GLU A 1 72  ? -5.291  -26.670 -15.055 1.00 47.60  ? 1561 GLU A HG3  1 
ATOM   956  N N    . LYS A 1 73  ? -4.622  -24.900 -12.474 1.00 30.88  ? 1562 LYS A N    1 
ATOM   957  C CA   . LYS A 1 73  ? -3.554  -24.365 -11.638 1.00 33.21  ? 1562 LYS A CA   1 
ATOM   958  C C    . LYS A 1 73  ? -2.303  -25.189 -11.894 1.00 35.79  ? 1562 LYS A C    1 
ATOM   959  O O    . LYS A 1 73  ? -2.376  -26.401 -12.143 1.00 37.15  ? 1562 LYS A O    1 
ATOM   960  C CB   . LYS A 1 73  ? -3.917  -24.383 -10.143 1.00 39.17  ? 1562 LYS A CB   1 
ATOM   961  H H    . LYS A 1 73  ? -4.609  -25.756 -12.562 1.00 37.07  ? 1562 LYS A H    1 
ATOM   962  H HA   . LYS A 1 73  ? -3.380  -23.440 -11.872 1.00 39.87  ? 1562 LYS A HA   1 
ATOM   963  N N    . GLU A 1 74  ? -1.164  -24.527 -11.855 1.00 37.78  ? 1563 GLU A N    1 
ATOM   964  C CA   . GLU A 1 74  ? 0.113   -25.203 -11.996 1.00 39.95  ? 1563 GLU A CA   1 
ATOM   965  C C    . GLU A 1 74  ? 1.092   -24.629 -10.989 1.00 38.81  ? 1563 GLU A C    1 
ATOM   966  O O    . GLU A 1 74  ? 1.137   -23.420 -10.784 1.00 38.05  ? 1563 GLU A O    1 
ATOM   967  C CB   . GLU A 1 74  ? 0.654   -25.111 -13.425 1.00 45.52  ? 1563 GLU A CB   1 
ATOM   968  C CG   . GLU A 1 74  ? 0.748   -23.743 -14.064 1.00 50.26  ? 1563 GLU A CG   1 
ATOM   969  C CD   . GLU A 1 74  ? 1.474   -23.772 -15.430 1.00 53.35  ? 1563 GLU A CD   1 
ATOM   970  O OE1  . GLU A 1 74  ? 1.162   -24.652 -16.270 1.00 55.17  ? 1563 GLU A OE1  1 
ATOM   971  O OE2  . GLU A 1 74  ? 2.342   -22.898 -15.671 1.00 52.89  ? 1563 GLU A OE2  1 
ATOM   972  H H    . GLU A 1 74  ? -1.102  -23.676 -11.747 1.00 45.35  ? 1563 GLU A H    1 
ATOM   973  H HA   . GLU A 1 74  ? 0.013   -26.147 -11.797 1.00 47.95  ? 1563 GLU A HA   1 
ATOM   974  H HB2  . GLU A 1 74  ? 1.552   -25.479 -13.425 1.00 54.64  ? 1563 GLU A HB2  1 
ATOM   975  H HB3  . GLU A 1 74  ? 0.077   -25.644 -13.994 1.00 54.64  ? 1563 GLU A HB3  1 
ATOM   976  H HG2  . GLU A 1 74  ? -0.147  -23.398 -14.207 1.00 60.33  ? 1563 GLU A HG2  1 
ATOM   977  H HG3  . GLU A 1 74  ? 1.241   -23.151 -13.475 1.00 60.33  ? 1563 GLU A HG3  1 
ATOM   978  N N    . TYR A 1 75  ? 1.893   -25.505 -10.380 1.00 39.41  ? 1564 TYR A N    1 
ATOM   979  C CA   . TYR A 1 75  ? 2.844   -25.143 -9.337  1.00 39.76  ? 1564 TYR A CA   1 
ATOM   980  C C    . TYR A 1 75  ? 4.205   -25.012 -10.007 1.00 39.28  ? 1564 TYR A C    1 
ATOM   981  O O    . TYR A 1 75  ? 4.641   -25.925 -10.723 1.00 41.67  ? 1564 TYR A O    1 
ATOM   982  C CB   . TYR A 1 75  ? 2.830   -26.218 -8.233  1.00 40.56  ? 1564 TYR A CB   1 
ATOM   983  C CG   . TYR A 1 75  ? 3.515   -25.838 -6.934  1.00 41.64  ? 1564 TYR A CG   1 
ATOM   984  C CD1  . TYR A 1 75  ? 3.239   -24.643 -6.280  1.00 43.18  ? 1564 TYR A CD1  1 
ATOM   985  C CD2  . TYR A 1 75  ? 4.409   -26.704 -6.336  1.00 44.38  ? 1564 TYR A CD2  1 
ATOM   986  C CE1  . TYR A 1 75  ? 3.884   -24.310 -5.094  1.00 42.93  ? 1564 TYR A CE1  1 
ATOM   987  C CE2  . TYR A 1 75  ? 5.031   -26.388 -5.153  1.00 46.08  ? 1564 TYR A CE2  1 
ATOM   988  C CZ   . TYR A 1 75  ? 4.756   -25.194 -4.523  1.00 46.39  ? 1564 TYR A CZ   1 
ATOM   989  O OH   . TYR A 1 75  ? 5.372   -24.875 -3.317  1.00 47.67  ? 1564 TYR A OH   1 
ATOM   990  H H    . TYR A 1 75  ? 1.902   -26.345 -10.563 1.00 47.31  ? 1564 TYR A H    1 
ATOM   991  H HA   . TYR A 1 75  ? 2.633   -24.299 -8.908  1.00 47.73  ? 1564 TYR A HA   1 
ATOM   992  H HB2  . TYR A 1 75  ? 1.906   -26.424 -8.020  1.00 48.69  ? 1564 TYR A HB2  1 
ATOM   993  H HB3  . TYR A 1 75  ? 3.277   -27.009 -8.573  1.00 48.69  ? 1564 TYR A HB3  1 
ATOM   994  H HD1  . TYR A 1 75  ? 2.614   -24.057 -6.642  1.00 51.83  ? 1564 TYR A HD1  1 
ATOM   995  H HD2  . TYR A 1 75  ? 4.595   -27.519 -6.744  1.00 53.28  ? 1564 TYR A HD2  1 
ATOM   996  H HE1  . TYR A 1 75  ? 3.722   -23.488 -4.690  1.00 51.53  ? 1564 TYR A HE1  1 
ATOM   997  H HE2  . TYR A 1 75  ? 5.639   -26.982 -4.775  1.00 55.32  ? 1564 TYR A HE2  1 
ATOM   998  H HH   . TYR A 1 75  ? 5.905   -25.486 -3.097  1.00 57.22  ? 1564 TYR A HH   1 
ATOM   999  N N    . CYS A 1 76  ? 4.861   -23.869 -9.784  1.00 37.63  ? 1565 CYS A N    1 
ATOM   1000 C CA   . CYS A 1 76  ? 6.080   -23.497 -10.473 1.00 37.76  ? 1565 CYS A CA   1 
ATOM   1001 C C    . CYS A 1 76  ? 7.151   -23.045 -9.492  1.00 37.25  ? 1565 CYS A C    1 
ATOM   1002 O O    . CYS A 1 76  ? 6.869   -22.664 -8.355  1.00 37.32  ? 1565 CYS A O    1 
ATOM   1003 C CB   . CYS A 1 76  ? 5.818   -22.316 -11.420 1.00 40.04  ? 1565 CYS A CB   1 
ATOM   1004 S SG   . CYS A 1 76  ? 4.452   -22.571 -12.585 1.00 41.31  ? 1565 CYS A SG   1 
ATOM   1005 H H    . CYS A 1 76  ? 4.603   -23.278 -9.215  1.00 45.17  ? 1565 CYS A H    1 
ATOM   1006 H HA   . CYS A 1 76  ? 6.403   -24.276 -10.952 1.00 45.33  ? 1565 CYS A HA   1 
ATOM   1007 H HB2  . CYS A 1 76  ? 5.606   -21.534 -10.887 1.00 48.06  ? 1565 CYS A HB2  1 
ATOM   1008 H HB3  . CYS A 1 76  ? 6.621   -22.155 -11.941 1.00 48.06  ? 1565 CYS A HB3  1 
ATOM   1009 H HG   . CYS A 1 76  ? 4.387   -21.627 -13.324 1.00 49.59  ? 1565 CYS A HG   1 
ATOM   1010 N N    . GLN A 1 77  ? 8.397   -23.063 -9.959  1.00 38.38  ? 1566 GLN A N    1 
ATOM   1011 C CA   . GLN A 1 77  ? 9.522   -22.541 -9.195  1.00 40.24  ? 1566 GLN A CA   1 
ATOM   1012 C C    . GLN A 1 77  ? 10.354  -21.631 -10.085 1.00 38.87  ? 1566 GLN A C    1 
ATOM   1013 O O    . GLN A 1 77  ? 10.721  -22.007 -11.205 1.00 38.62  ? 1566 GLN A O    1 
ATOM   1014 C CB   . GLN A 1 77  ? 10.382  -23.672 -8.627  1.00 44.93  ? 1566 GLN A CB   1 
ATOM   1015 C CG   . GLN A 1 77  ? 11.532  -23.181 -7.755  1.00 47.12  ? 1566 GLN A CG   1 
ATOM   1016 C CD   . GLN A 1 77  ? 12.255  -24.311 -7.052  1.00 50.21  ? 1566 GLN A CD   1 
ATOM   1017 O OE1  . GLN A 1 77  ? 12.414  -24.304 -5.831  1.00 52.74  ? 1566 GLN A OE1  1 
ATOM   1018 N NE2  . GLN A 1 77  ? 12.697  -25.286 -7.818  1.00 51.45  ? 1566 GLN A NE2  1 
ATOM   1019 H H    . GLN A 1 77  ? 8.617   -23.378 -10.728 1.00 46.07  ? 1566 GLN A H    1 
ATOM   1020 H HA   . GLN A 1 77  ? 9.190   -22.014 -8.452  1.00 48.30  ? 1566 GLN A HA   1 
ATOM   1021 H HB2  . GLN A 1 77  ? 9.822   -24.248 -8.083  1.00 53.93  ? 1566 GLN A HB2  1 
ATOM   1022 H HB3  . GLN A 1 77  ? 10.761  -24.177 -9.363  1.00 53.93  ? 1566 GLN A HB3  1 
ATOM   1023 H HG2  . GLN A 1 77  ? 12.174  -22.714 -8.312  1.00 56.56  ? 1566 GLN A HG2  1 
ATOM   1024 H HG3  . GLN A 1 77  ? 11.182  -22.582 -7.077  1.00 56.56  ? 1566 GLN A HG3  1 
ATOM   1025 H HE21 . GLN A 1 77  ? 12.568  -25.257 -8.668  1.00 61.75  ? 1566 GLN A HE21 1 
ATOM   1026 H HE22 . GLN A 1 77  ? 13.115  -25.952 -7.469  1.00 61.75  ? 1566 GLN A HE22 1 
ATOM   1027 N N    . ALA A 1 78  ? 10.672  -20.438 -9.587  1.00 38.31  ? 1567 ALA A N    1 
ATOM   1028 C CA   . ALA A 1 78  ? 11.535  -19.528 -10.337 1.00 39.22  ? 1567 ALA A CA   1 
ATOM   1029 C C    . ALA A 1 78  ? 12.955  -20.076 -10.420 1.00 40.34  ? 1567 ALA A C    1 
ATOM   1030 O O    . ALA A 1 78  ? 13.619  -20.314 -9.403  1.00 40.63  ? 1567 ALA A O    1 
ATOM   1031 C CB   . ALA A 1 78  ? 11.524  -18.148 -9.689  1.00 40.27  ? 1567 ALA A CB   1 
ATOM   1032 H H    . ALA A 1 78  ? 10.405  -20.135 -8.828  1.00 45.99  ? 1567 ALA A H    1 
ATOM   1033 H HA   . ALA A 1 78  ? 11.198  -19.447 -11.243 1.00 47.08  ? 1567 ALA A HA   1 
ATOM   1034 H HB1  . ALA A 1 78  ? 12.090  -17.552 -10.203 1.00 48.33  ? 1567 ALA A HB1  1 
ATOM   1035 H HB2  . ALA A 1 78  ? 10.614  -17.812 -9.678  1.00 48.33  ? 1567 ALA A HB2  1 
ATOM   1036 H HB3  . ALA A 1 78  ? 11.860  -18.223 -8.782  1.00 48.33  ? 1567 ALA A HB3  1 
ATOM   1037 N N    . LYS A 1 79  ? 13.438  -20.272 -11.640 1.00 40.58  ? 1568 LYS A N    1 
ATOM   1038 C CA   . LYS A 1 79  ? 14.792  -20.768 -11.841 1.00 41.90  ? 1568 LYS A CA   1 
ATOM   1039 C C    . LYS A 1 79  ? 15.778  -19.656 -12.191 1.00 44.40  ? 1568 LYS A C    1 
ATOM   1040 O O    . LYS A 1 79  ? 16.980  -19.928 -12.337 1.00 46.51  ? 1568 LYS A O    1 
ATOM   1041 C CB   . LYS A 1 79  ? 14.783  -21.854 -12.924 1.00 41.31  ? 1568 LYS A CB   1 
ATOM   1042 H H    . LYS A 1 79  ? 13.000  -20.126 -12.366 1.00 48.71  ? 1568 LYS A H    1 
ATOM   1043 H HA   . LYS A 1 79  ? 15.114  -21.179 -11.024 1.00 50.29  ? 1568 LYS A HA   1 
ATOM   1044 N N    . LYS A 1 80  ? 15.315  -18.410 -12.307 1.00 45.95  ? 1569 LYS A N    1 
ATOM   1045 C CA   . LYS A 1 80  ? 16.150  -17.271 -12.684 1.00 48.26  ? 1569 LYS A CA   1 
ATOM   1046 C C    . LYS A 1 80  ? 15.757  -16.079 -11.818 1.00 47.28  ? 1569 LYS A C    1 
ATOM   1047 O O    . LYS A 1 80  ? 14.580  -15.917 -11.480 1.00 45.60  ? 1569 LYS A O    1 
ATOM   1048 C CB   . LYS A 1 80  ? 15.980  -16.917 -14.175 1.00 51.24  ? 1569 LYS A CB   1 
ATOM   1049 H H    . LYS A 1 80  ? 14.494  -18.194 -12.166 1.00 55.15  ? 1569 LYS A H    1 
ATOM   1050 H HA   . LYS A 1 80  ? 17.085  -17.476 -12.531 1.00 57.93  ? 1569 LYS A HA   1 
ATOM   1051 N N    . ALA A 1 81  ? 16.745  -15.258 -11.440 1.00 49.60  ? 1570 ALA A N    1 
ATOM   1052 C CA   . ALA A 1 81  ? 16.463  -14.123 -10.564 1.00 50.03  ? 1570 ALA A CA   1 
ATOM   1053 C C    . ALA A 1 81  ? 15.707  -13.025 -11.304 1.00 49.96  ? 1570 ALA A C    1 
ATOM   1054 O O    . ALA A 1 81  ? 14.864  -12.336 -10.718 1.00 49.89  ? 1570 ALA A O    1 
ATOM   1055 C CB   . ALA A 1 81  ? 17.766  -13.579 -9.984  1.00 51.49  ? 1570 ALA A CB   1 
ATOM   1056 H H    . ALA A 1 81  ? 17.569  -15.336 -11.674 1.00 59.54  ? 1570 ALA A H    1 
ATOM   1057 H HA   . ALA A 1 81  ? 15.906  -14.426 -9.829  1.00 60.05  ? 1570 ALA A HA   1 
ATOM   1058 H HB1  . ALA A 1 81  ? 17.567  -12.806 -9.432  1.00 61.80  ? 1570 ALA A HB1  1 
ATOM   1059 H HB2  . ALA A 1 81  ? 18.185  -14.269 -9.447  1.00 61.80  ? 1570 ALA A HB2  1 
ATOM   1060 H HB3  . ALA A 1 81  ? 18.353  -13.323 -10.712 1.00 61.80  ? 1570 ALA A HB3  1 
ATOM   1061 N N    . GLN A 1 82  ? 16.000  -12.847 -12.584 1.00 49.81  ? 1571 GLN A N    1 
ATOM   1062 C CA   . GLN A 1 82  ? 15.266  -11.934 -13.446 1.00 50.98  ? 1571 GLN A CA   1 
ATOM   1063 C C    . GLN A 1 82  ? 14.138  -12.735 -14.075 1.00 49.63  ? 1571 GLN A C    1 
ATOM   1064 O O    . GLN A 1 82  ? 14.389  -13.585 -14.935 1.00 50.14  ? 1571 GLN A O    1 
ATOM   1065 C CB   . GLN A 1 82  ? 16.198  -11.407 -14.535 1.00 54.28  ? 1571 GLN A CB   1 
ATOM   1066 H H    . GLN A 1 82  ? 16.640  -13.256 -12.989 1.00 59.78  ? 1571 GLN A H    1 
ATOM   1067 H HA   . GLN A 1 82  ? 14.906  -11.189 -12.939 1.00 61.19  ? 1571 GLN A HA   1 
ATOM   1068 N N    . ASN A 1 83  ? 12.897  -12.495 -13.636 1.00 47.32  ? 1572 ASN A N    1 
ATOM   1069 C CA   . ASN A 1 83  ? 11.758  -13.209 -14.201 1.00 45.44  ? 1572 ASN A CA   1 
ATOM   1070 C C    . ASN A 1 83  ? 10.541  -12.295 -14.265 1.00 45.96  ? 1572 ASN A C    1 
ATOM   1071 O O    . ASN A 1 83  ? 10.498  -11.222 -13.653 1.00 46.07  ? 1572 ASN A O    1 
ATOM   1072 C CB   . ASN A 1 83  ? 11.501  -14.486 -13.424 1.00 42.88  ? 1572 ASN A CB   1 
ATOM   1073 C CG   . ASN A 1 83  ? 11.166  -14.223 -11.959 1.00 40.32  ? 1572 ASN A CG   1 
ATOM   1074 O OD1  . ASN A 1 83  ? 10.086  -13.707 -11.643 1.00 40.30  ? 1572 ASN A OD1  1 
ATOM   1075 N ND2  . ASN A 1 83  ? 12.106  -14.516 -11.067 1.00 41.88  ? 1572 ASN A ND2  1 
ATOM   1076 H H    . ASN A 1 83  ? 12.697  -11.929 -13.020 1.00 56.80  ? 1572 ASN A H    1 
ATOM   1077 H HA   . ASN A 1 83  ? 11.941  -13.453 -15.122 1.00 54.54  ? 1572 ASN A HA   1 
ATOM   1078 H HB2  . ASN A 1 83  ? 10.752  -14.955 -13.824 1.00 51.48  ? 1572 ASN A HB2  1 
ATOM   1079 H HB3  . ASN A 1 83  ? 12.296  -15.042 -13.456 1.00 51.48  ? 1572 ASN A HB3  1 
ATOM   1080 H HD21 . ASN A 1 83  ? 11.960  -14.384 -10.230 1.00 50.27  ? 1572 ASN A HD21 1 
ATOM   1081 H HD22 . ASN A 1 83  ? 12.860  -14.837 -11.327 1.00 50.27  ? 1572 ASN A HD22 1 
ATOM   1082 N N    . ARG A 1 84  ? 9.554   -12.731 -15.059 1.00 44.43  ? 1573 ARG A N    1 
ATOM   1083 C CA   . ARG A 1 84  ? 8.367   -11.938 -15.337 1.00 42.63  ? 1573 ARG A CA   1 
ATOM   1084 C C    . ARG A 1 84  ? 7.530   -11.700 -14.095 1.00 41.92  ? 1573 ARG A C    1 
ATOM   1085 O O    . ARG A 1 84  ? 6.690   -10.798 -14.102 1.00 43.83  ? 1573 ARG A O    1 
ATOM   1086 C CB   . ARG A 1 84  ? 7.504   -12.631 -16.401 1.00 40.75  ? 1573 ARG A CB   1 
ATOM   1087 H H    . ARG A 1 84  ? 9.555   -13.496 -15.452 1.00 53.33  ? 1573 ARG A H    1 
ATOM   1088 H HA   . ARG A 1 84  ? 8.646   -11.079 -15.691 1.00 51.17  ? 1573 ARG A HA   1 
ATOM   1089 N N    . PHE A 1 85  ? 7.750   -12.462 -13.027 1.00 39.58  ? 1574 PHE A N    1 
ATOM   1090 C CA   . PHE A 1 85  ? 6.930   -12.376 -11.830 1.00 38.10  ? 1574 PHE A CA   1 
ATOM   1091 C C    . PHE A 1 85  ? 7.573   -11.529 -10.755 1.00 39.12  ? 1574 PHE A C    1 
ATOM   1092 O O    . PHE A 1 85  ? 6.917   -11.247 -9.743  1.00 37.60  ? 1574 PHE A O    1 
ATOM   1093 C CB   . PHE A 1 85  ? 6.665   -13.787 -11.308 1.00 39.21  ? 1574 PHE A CB   1 
ATOM   1094 C CG   . PHE A 1 85  ? 6.058   -14.663 -12.345 1.00 39.64  ? 1574 PHE A CG   1 
ATOM   1095 C CD1  . PHE A 1 85  ? 4.748   -14.489 -12.695 1.00 41.05  ? 1574 PHE A CD1  1 
ATOM   1096 C CD2  . PHE A 1 85  ? 6.807   -15.629 -12.992 1.00 42.23  ? 1574 PHE A CD2  1 
ATOM   1097 C CE1  . PHE A 1 85  ? 4.167   -15.256 -13.645 1.00 43.46  ? 1574 PHE A CE1  1 
ATOM   1098 C CE2  . PHE A 1 85  ? 6.219   -16.420 -13.974 1.00 44.08  ? 1574 PHE A CE2  1 
ATOM   1099 C CZ   . PHE A 1 85  ? 4.896   -16.224 -14.292 1.00 44.81  ? 1574 PHE A CZ   1 
ATOM   1100 H H    . PHE A 1 85  ? 8.380   -13.045 -12.974 1.00 47.52  ? 1574 PHE A H    1 
ATOM   1101 H HA   . PHE A 1 85  ? 6.072   -11.973 -12.036 1.00 45.74  ? 1574 PHE A HA   1 
ATOM   1102 H HB2  . PHE A 1 85  ? 7.505   -14.185 -11.029 1.00 47.07  ? 1574 PHE A HB2  1 
ATOM   1103 H HB3  . PHE A 1 85  ? 6.054   -13.739 -10.557 1.00 47.07  ? 1574 PHE A HB3  1 
ATOM   1104 H HD1  . PHE A 1 85  ? 4.246   -13.830 -12.271 1.00 49.28  ? 1574 PHE A HD1  1 
ATOM   1105 H HD2  . PHE A 1 85  ? 7.702   -15.749 -12.771 1.00 50.69  ? 1574 PHE A HD2  1 
ATOM   1106 H HE1  . PHE A 1 85  ? 3.272   -15.128 -13.861 1.00 52.17  ? 1574 PHE A HE1  1 
ATOM   1107 H HE2  . PHE A 1 85  ? 6.715   -17.074 -14.410 1.00 52.91  ? 1574 PHE A HE2  1 
ATOM   1108 H HZ   . PHE A 1 85  ? 4.493   -16.747 -14.947 1.00 53.79  ? 1574 PHE A HZ   1 
ATOM   1109 N N    . LYS A 1 86  ? 8.813   -11.086 -10.968 1.00 40.45  ? 1575 LYS A N    1 
ATOM   1110 C CA   . LYS A 1 86  ? 9.516   -10.239 -10.010 1.00 44.01  ? 1575 LYS A CA   1 
ATOM   1111 C C    . LYS A 1 86  ? 9.642   -10.918 -8.649  1.00 42.79  ? 1575 LYS A C    1 
ATOM   1112 O O    . LYS A 1 86  ? 9.557   -10.270 -7.600  1.00 44.48  ? 1575 LYS A O    1 
ATOM   1113 C CB   . LYS A 1 86  ? 8.832   -8.876  -9.917  1.00 49.61  ? 1575 LYS A CB   1 
ATOM   1114 C CG   . LYS A 1 86  ? 9.210   -7.976  -11.102 1.00 55.09  ? 1575 LYS A CG   1 
ATOM   1115 C CD   . LYS A 1 86  ? 8.194   -6.863  -11.346 1.00 60.36  ? 1575 LYS A CD   1 
ATOM   1116 C CE   . LYS A 1 86  ? 8.466   -6.139  -12.672 1.00 64.26  ? 1575 LYS A CE   1 
ATOM   1117 N NZ   . LYS A 1 86  ? 7.561   -6.503  -13.813 1.00 66.46  ? 1575 LYS A NZ   1 
ATOM   1118 H H    . LYS A 1 86  ? 9.273   -11.266 -11.672 1.00 48.55  ? 1575 LYS A H    1 
ATOM   1119 H HA   . LYS A 1 86  ? 10.425  -10.094 -10.315 1.00 52.83  ? 1575 LYS A HA   1 
ATOM   1120 H HB2  . LYS A 1 86  ? 7.870   -8.999  -9.921  1.00 59.55  ? 1575 LYS A HB2  1 
ATOM   1121 H HB3  . LYS A 1 86  ? 9.107   -8.435  -9.098  1.00 59.55  ? 1575 LYS A HB3  1 
ATOM   1122 H HG2  . LYS A 1 86  ? 10.069  -7.563  -10.925 1.00 66.12  ? 1575 LYS A HG2  1 
ATOM   1123 H HG3  . LYS A 1 86  ? 9.261   -8.516  -11.907 1.00 66.12  ? 1575 LYS A HG3  1 
ATOM   1124 H HD2  . LYS A 1 86  ? 7.303   -7.243  -11.383 1.00 72.45  ? 1575 LYS A HD2  1 
ATOM   1125 H HD3  . LYS A 1 86  ? 8.249   -6.215  -10.627 1.00 72.45  ? 1575 LYS A HD3  1 
ATOM   1126 H HE2  . LYS A 1 86  ? 8.371   -5.185  -12.523 1.00 77.13  ? 1575 LYS A HE2  1 
ATOM   1127 H HE3  . LYS A 1 86  ? 9.373   -6.342  -12.950 1.00 77.13  ? 1575 LYS A HE3  1 
ATOM   1128 H HZ1  . LYS A 1 86  ? 7.796   -6.052  -14.544 1.00 79.77  ? 1575 LYS A HZ1  1 
ATOM   1129 H HZ2  . LYS A 1 86  ? 7.619   -7.375  -13.981 1.00 79.77  ? 1575 LYS A HZ2  1 
ATOM   1130 H HZ3  . LYS A 1 86  ? 6.718   -6.303  -13.609 1.00 79.77  ? 1575 LYS A HZ3  1 
ATOM   1131 N N    . VAL A 1 87  ? 9.871   -12.230 -8.665  1.00 39.04  ? 1576 VAL A N    1 
ATOM   1132 C CA   . VAL A 1 87  ? 10.041  -12.986 -7.430  1.00 38.03  ? 1576 VAL A CA   1 
ATOM   1133 C C    . VAL A 1 87  ? 11.482  -13.433 -7.269  1.00 39.54  ? 1576 VAL A C    1 
ATOM   1134 O O    . VAL A 1 87  ? 12.184  -13.599 -8.263  1.00 40.15  ? 1576 VAL A O    1 
ATOM   1135 C CB   . VAL A 1 87  ? 9.094   -14.198 -7.336  1.00 35.22  ? 1576 VAL A CB   1 
ATOM   1136 C CG1  . VAL A 1 87  ? 7.606   -13.786 -7.339  1.00 34.96  ? 1576 VAL A CG1  1 
ATOM   1137 C CG2  . VAL A 1 87  ? 9.363   -15.260 -8.400  1.00 34.77  ? 1576 VAL A CG2  1 
ATOM   1138 H H    . VAL A 1 87  ? 9.931   -12.704 -9.381  1.00 46.86  ? 1576 VAL A H    1 
ATOM   1139 H HA   . VAL A 1 87  ? 9.830   -12.375 -6.707  1.00 45.66  ? 1576 VAL A HA   1 
ATOM   1140 H HB   . VAL A 1 87  ? 9.285   -14.609 -6.478  1.00 42.28  ? 1576 VAL A HB   1 
ATOM   1141 H HG11 . VAL A 1 87  ? 7.058   -14.581 -7.245  1.00 41.97  ? 1576 VAL A HG11 1 
ATOM   1142 H HG12 . VAL A 1 87  ? 7.444   -13.182 -6.598  1.00 41.97  ? 1576 VAL A HG12 1 
ATOM   1143 H HG13 . VAL A 1 87  ? 7.403   -13.342 -8.178  1.00 41.97  ? 1576 VAL A HG13 1 
ATOM   1144 H HG21 . VAL A 1 87  ? 8.661   -15.929 -8.363  1.00 41.74  ? 1576 VAL A HG21 1 
ATOM   1145 H HG22 . VAL A 1 87  ? 9.370   -14.837 -9.273  1.00 41.74  ? 1576 VAL A HG22 1 
ATOM   1146 H HG23 . VAL A 1 87  ? 10.223  -15.673 -8.225  1.00 41.74  ? 1576 VAL A HG23 1 
ATOM   1147 N N    . PRO A 1 88  ? 11.956  -13.652 -6.046  1.00 41.14  ? 1577 PRO A N    1 
ATOM   1148 C CA   . PRO A 1 88  ? 13.334  -14.124 -5.863  1.00 42.05  ? 1577 PRO A CA   1 
ATOM   1149 C C    . PRO A 1 88  ? 13.579  -15.498 -6.466  1.00 41.88  ? 1577 PRO A C    1 
ATOM   1150 O O    . PRO A 1 88  ? 12.674  -16.330 -6.579  1.00 40.27  ? 1577 PRO A O    1 
ATOM   1151 C CB   . PRO A 1 88  ? 13.511  -14.172 -4.337  1.00 43.47  ? 1577 PRO A CB   1 
ATOM   1152 C CG   . PRO A 1 88  ? 12.370  -13.417 -3.746  1.00 43.14  ? 1577 PRO A CG   1 
ATOM   1153 C CD   . PRO A 1 88  ? 11.263  -13.401 -4.769  1.00 42.02  ? 1577 PRO A CD   1 
ATOM   1154 H HA   . PRO A 1 88  ? 13.943  -13.481 -6.259  1.00 50.48  ? 1577 PRO A HA   1 
ATOM   1155 H HB2  . PRO A 1 88  ? 13.498  -15.096 -4.040  1.00 52.18  ? 1577 PRO A HB2  1 
ATOM   1156 H HB3  . PRO A 1 88  ? 14.354  -13.758 -4.097  1.00 52.18  ? 1577 PRO A HB3  1 
ATOM   1157 H HG2  . PRO A 1 88  ? 12.075  -13.863 -2.937  1.00 51.78  ? 1577 PRO A HG2  1 
ATOM   1158 H HG3  . PRO A 1 88  ? 12.655  -12.513 -3.542  1.00 51.78  ? 1577 PRO A HG3  1 
ATOM   1159 H HD2  . PRO A 1 88  ? 10.617  -14.101 -4.586  1.00 50.43  ? 1577 PRO A HD2  1 
ATOM   1160 H HD3  . PRO A 1 88  ? 10.822  -12.537 -4.782  1.00 50.43  ? 1577 PRO A HD3  1 
ATOM   1161 N N    . LEU A 1 89  ? 14.829  -15.733 -6.844  1.00 43.26  ? 1578 LEU A N    1 
ATOM   1162 C CA   . LEU A 1 89  ? 15.236  -17.062 -7.273  1.00 44.49  ? 1578 LEU A CA   1 
ATOM   1163 C C    . LEU A 1 89  ? 14.795  -18.086 -6.243  1.00 43.52  ? 1578 LEU A C    1 
ATOM   1164 O O    . LEU A 1 89  ? 14.953  -17.880 -5.035  1.00 43.47  ? 1578 LEU A O    1 
ATOM   1165 C CB   . LEU A 1 89  ? 16.756  -17.095 -7.425  1.00 46.60  ? 1578 LEU A CB   1 
ATOM   1166 C CG   . LEU A 1 89  ? 17.391  -18.435 -7.796  1.00 49.22  ? 1578 LEU A CG   1 
ATOM   1167 C CD1  . LEU A 1 89  ? 16.944  -18.844 -9.194  1.00 49.64  ? 1578 LEU A CD1  1 
ATOM   1168 C CD2  . LEU A 1 89  ? 18.919  -18.373 -7.699  1.00 51.67  ? 1578 LEU A CD2  1 
ATOM   1169 H H    . LEU A 1 89  ? 15.456  -15.144 -6.861  1.00 51.93  ? 1578 LEU A H    1 
ATOM   1170 H HA   . LEU A 1 89  ? 14.832  -17.281 -8.128  1.00 53.40  ? 1578 LEU A HA   1 
ATOM   1171 H HB2  . LEU A 1 89  ? 16.999  -16.465 -8.121  1.00 55.94  ? 1578 LEU A HB2  1 
ATOM   1172 H HB3  . LEU A 1 89  ? 17.146  -16.822 -6.580  1.00 55.94  ? 1578 LEU A HB3  1 
ATOM   1173 H HG   . LEU A 1 89  ? 17.097  -19.113 -7.167  1.00 59.09  ? 1578 LEU A HG   1 
ATOM   1174 H HD11 . LEU A 1 89  ? 17.425  -19.643 -9.458  1.00 59.58  ? 1578 LEU A HD11 1 
ATOM   1175 H HD12 . LEU A 1 89  ? 15.991  -19.020 -9.182  1.00 59.58  ? 1578 LEU A HD12 1 
ATOM   1176 H HD13 . LEU A 1 89  ? 17.139  -18.121 -9.812  1.00 59.58  ? 1578 LEU A HD13 1 
ATOM   1177 H HD21 . LEU A 1 89  ? 19.286  -19.234 -7.953  1.00 62.02  ? 1578 LEU A HD21 1 
ATOM   1178 H HD22 . LEU A 1 89  ? 19.245  -17.684 -8.298  1.00 62.02  ? 1578 LEU A HD22 1 
ATOM   1179 H HD23 . LEU A 1 89  ? 19.169  -18.163 -6.786  1.00 62.02  ? 1578 LEU A HD23 1 
ATOM   1180 N N    . GLY A 1 90  ? 14.218  -19.180 -6.723  1.00 41.53  ? 1579 GLY A N    1 
ATOM   1181 C CA   . GLY A 1 90  ? 13.790  -20.247 -5.861  1.00 41.38  ? 1579 GLY A CA   1 
ATOM   1182 C C    . GLY A 1 90  ? 12.360  -20.165 -5.389  1.00 40.17  ? 1579 GLY A C    1 
ATOM   1183 O O    . GLY A 1 90  ? 11.856  -21.160 -4.868  1.00 40.24  ? 1579 GLY A O    1 
ATOM   1184 H H    . GLY A 1 90  ? 14.065  -19.321 -7.558  1.00 49.85  ? 1579 GLY A H    1 
ATOM   1185 H HA2  . GLY A 1 90  ? 13.895  -21.087 -6.335  1.00 49.67  ? 1579 GLY A HA2  1 
ATOM   1186 H HA3  . GLY A 1 90  ? 14.359  -20.255 -5.075  1.00 49.67  ? 1579 GLY A HA3  1 
ATOM   1187 N N    . THR A 1 91  ? 11.680  -19.030 -5.578  1.00 39.03  ? 1580 THR A N    1 
ATOM   1188 C CA   . THR A 1 91  ? 10.303  -18.899 -5.126  1.00 38.54  ? 1580 THR A CA   1 
ATOM   1189 C C    . THR A 1 91  ? 9.431   -19.940 -5.796  1.00 36.71  ? 1580 THR A C    1 
ATOM   1190 O O    . THR A 1 91  ? 9.495   -20.107 -7.020  1.00 37.64  ? 1580 THR A O    1 
ATOM   1191 C CB   . THR A 1 91  ? 9.788   -17.512 -5.492  1.00 37.55  ? 1580 THR A CB   1 
ATOM   1192 O OG1  . THR A 1 91  ? 10.602  -16.521 -4.843  1.00 38.45  ? 1580 THR A OG1  1 
ATOM   1193 C CG2  . THR A 1 91  ? 8.293   -17.332 -5.152  1.00 37.11  ? 1580 THR A CG2  1 
ATOM   1194 H H    . THR A 1 91  ? 11.995  -18.329 -5.963  1.00 46.85  ? 1580 THR A H    1 
ATOM   1195 H HA   . THR A 1 91  ? 10.262  -19.022 -4.164  1.00 46.26  ? 1580 THR A HA   1 
ATOM   1196 H HB   . THR A 1 91  ? 9.848   -17.388 -6.452  1.00 45.07  ? 1580 THR A HB   1 
ATOM   1197 H HG1  . THR A 1 91  ? 11.409  -16.634 -5.047  1.00 46.15  ? 1580 THR A HG1  1 
ATOM   1198 H HG21 . THR A 1 91  ? 8.059   -16.391 -5.169  1.00 44.54  ? 1580 THR A HG21 1 
ATOM   1199 H HG22 . THR A 1 91  ? 7.746   -17.803 -5.800  1.00 44.54  ? 1580 THR A HG22 1 
ATOM   1200 H HG23 . THR A 1 91  ? 8.108   -17.686 -4.268  1.00 44.54  ? 1580 THR A HG23 1 
ATOM   1201 N N    . LYS A 1 92  ? 8.605   -20.620 -5.005  1.00 38.26  ? 1581 LYS A N    1 
ATOM   1202 C CA   . LYS A 1 92  ? 7.536   -21.461 -5.531  1.00 37.78  ? 1581 LYS A CA   1 
ATOM   1203 C C    . LYS A 1 92  ? 6.222   -20.678 -5.519  1.00 35.19  ? 1581 LYS A C    1 
ATOM   1204 O O    . LYS A 1 92  ? 5.864   -20.015 -4.529  1.00 36.24  ? 1581 LYS A O    1 
ATOM   1205 C CB   . LYS A 1 92  ? 7.448   -22.774 -4.758  1.00 41.77  ? 1581 LYS A CB   1 
ATOM   1206 C CG   . LYS A 1 92  ? 8.706   -23.638 -4.939  1.00 45.93  ? 1581 LYS A CG   1 
ATOM   1207 C CD   . LYS A 1 92  ? 8.378   -25.115 -4.740  1.00 50.21  ? 1581 LYS A CD   1 
ATOM   1208 C CE   . LYS A 1 92  ? 9.591   -25.998 -4.881  1.00 54.33  ? 1581 LYS A CE   1 
ATOM   1209 N NZ   . LYS A 1 92  ? 10.364  -26.047 -3.603  1.00 57.03  ? 1581 LYS A NZ   1 
ATOM   1210 H H    . LYS A 1 92  ? 8.646   -20.610 -4.146  1.00 45.93  ? 1581 LYS A H    1 
ATOM   1211 H HA   . LYS A 1 92  ? 7.711   -21.697 -6.455  1.00 45.35  ? 1581 LYS A HA   1 
ATOM   1212 H HB2  . LYS A 1 92  ? 7.346   -22.581 -3.813  1.00 50.14  ? 1581 LYS A HB2  1 
ATOM   1213 H HB3  . LYS A 1 92  ? 6.684   -23.280 -5.077  1.00 50.14  ? 1581 LYS A HB3  1 
ATOM   1214 H HG2  . LYS A 1 92  ? 9.056   -23.518 -5.835  1.00 55.13  ? 1581 LYS A HG2  1 
ATOM   1215 H HG3  . LYS A 1 92  ? 9.373   -23.380 -4.284  1.00 55.13  ? 1581 LYS A HG3  1 
ATOM   1216 H HD2  . LYS A 1 92  ? 8.015   -25.243 -3.850  1.00 60.27  ? 1581 LYS A HD2  1 
ATOM   1217 H HD3  . LYS A 1 92  ? 7.728   -25.389 -5.406  1.00 60.27  ? 1581 LYS A HD3  1 
ATOM   1218 H HE2  . LYS A 1 92  ? 9.311   -26.899 -5.106  1.00 65.22  ? 1581 LYS A HE2  1 
ATOM   1219 H HE3  . LYS A 1 92  ? 10.169  -25.646 -5.577  1.00 65.22  ? 1581 LYS A HE3  1 
ATOM   1220 H HZ1  . LYS A 1 92  ? 11.064  -26.590 -3.691  1.00 68.45  ? 1581 LYS A HZ1  1 
ATOM   1221 H HZ2  . LYS A 1 92  ? 10.656  -25.233 -3.392  1.00 68.45  ? 1581 LYS A HZ2  1 
ATOM   1222 H HZ3  . LYS A 1 92  ? 9.846   -26.348 -2.945  1.00 68.45  ? 1581 LYS A HZ3  1 
ATOM   1223 N N    . PHE A 1 93  ? 5.504   -20.753 -6.621  1.00 31.91  ? 1582 PHE A N    1 
ATOM   1224 C CA   . PHE A 1 93  ? 4.293   -19.963 -6.808  1.00 30.69  ? 1582 PHE A CA   1 
ATOM   1225 C C    . PHE A 1 93  ? 3.385   -20.729 -7.745  1.00 31.04  ? 1582 PHE A C    1 
ATOM   1226 O O    . PHE A 1 93  ? 3.810   -21.655 -8.425  1.00 31.77  ? 1582 PHE A O    1 
ATOM   1227 C CB   . PHE A 1 93  ? 4.644   -18.594 -7.385  1.00 29.29  ? 1582 PHE A CB   1 
ATOM   1228 C CG   . PHE A 1 93  ? 5.338   -18.662 -8.742  1.00 28.99  ? 1582 PHE A CG   1 
ATOM   1229 C CD1  . PHE A 1 93  ? 6.722   -18.791 -8.825  1.00 30.95  ? 1582 PHE A CD1  1 
ATOM   1230 C CD2  . PHE A 1 93  ? 4.594   -18.607 -9.933  1.00 29.68  ? 1582 PHE A CD2  1 
ATOM   1231 C CE1  . PHE A 1 93  ? 7.346   -18.863 -10.072 1.00 32.05  ? 1582 PHE A CE1  1 
ATOM   1232 C CE2  . PHE A 1 93  ? 5.228   -18.707 -11.154 1.00 31.68  ? 1582 PHE A CE2  1 
ATOM   1233 C CZ   . PHE A 1 93  ? 6.588   -18.790 -11.219 1.00 31.89  ? 1582 PHE A CZ   1 
ATOM   1234 H H    . PHE A 1 93  ? 5.695   -21.261 -7.288  1.00 38.31  ? 1582 PHE A H    1 
ATOM   1235 H HA   . PHE A 1 93  ? 3.830   -19.837 -5.965  1.00 36.85  ? 1582 PHE A HA   1 
ATOM   1236 H HB2  . PHE A 1 93  ? 3.827   -18.082 -7.495  1.00 35.16  ? 1582 PHE A HB2  1 
ATOM   1237 H HB3  . PHE A 1 93  ? 5.240   -18.139 -6.769  1.00 35.16  ? 1582 PHE A HB3  1 
ATOM   1238 H HD1  . PHE A 1 93  ? 7.232   -18.829 -8.048  1.00 37.16  ? 1582 PHE A HD1  1 
ATOM   1239 H HD2  . PHE A 1 93  ? 3.670   -18.502 -9.898  1.00 35.63  ? 1582 PHE A HD2  1 
ATOM   1240 H HE1  . PHE A 1 93  ? 8.269   -18.959 -10.127 1.00 38.48  ? 1582 PHE A HE1  1 
ATOM   1241 H HE2  . PHE A 1 93  ? 4.726   -18.719 -11.937 1.00 38.04  ? 1582 PHE A HE2  1 
ATOM   1242 H HZ   . PHE A 1 93  ? 7.008   -18.797 -12.049 1.00 38.29  ? 1582 PHE A HZ   1 
ATOM   1243 N N    . TYR A 1 94  ? 2.152   -20.297 -7.855  1.00 30.21  ? 1583 TYR A N    1 
ATOM   1244 C CA   . TYR A 1 94  ? 1.228   -20.928 -8.786  1.00 29.26  ? 1583 TYR A CA   1 
ATOM   1245 C C    . TYR A 1 94  ? 0.897   -19.993 -9.938  1.00 27.84  ? 1583 TYR A C    1 
ATOM   1246 O O    . TYR A 1 94  ? 0.919   -18.766 -9.777  1.00 27.10  ? 1583 TYR A O    1 
ATOM   1247 C CB   . TYR A 1 94  ? -0.093  -21.298 -8.113  1.00 30.76  ? 1583 TYR A CB   1 
ATOM   1248 C CG   . TYR A 1 94  ? -0.026  -22.425 -7.156  1.00 33.87  ? 1583 TYR A CG   1 
ATOM   1249 C CD1  . TYR A 1 94  ? 0.283   -22.228 -5.816  1.00 34.88  ? 1583 TYR A CD1  1 
ATOM   1250 C CD2  . TYR A 1 94  ? -0.321  -23.711 -7.588  1.00 36.11  ? 1583 TYR A CD2  1 
ATOM   1251 C CE1  . TYR A 1 94  ? 0.357   -23.303 -4.946  1.00 36.66  ? 1583 TYR A CE1  1 
ATOM   1252 C CE2  . TYR A 1 94  ? -0.290  -24.768 -6.739  1.00 38.05  ? 1583 TYR A CE2  1 
ATOM   1253 C CZ   . TYR A 1 94  ? 0.046   -24.561 -5.413  1.00 38.59  ? 1583 TYR A CZ   1 
ATOM   1254 O OH   . TYR A 1 94  ? 0.088   -25.638 -4.572  1.00 42.29  ? 1583 TYR A OH   1 
ATOM   1255 H H    . TYR A 1 94  ? 1.822   -19.642 -7.405  1.00 36.26  ? 1583 TYR A H    1 
ATOM   1256 H HA   . TYR A 1 94  ? 1.657   -21.728 -9.125  1.00 35.12  ? 1583 TYR A HA   1 
ATOM   1257 H HB2  . TYR A 1 94  ? -0.414  -20.523 -7.625  1.00 36.93  ? 1583 TYR A HB2  1 
ATOM   1258 H HB3  . TYR A 1 94  ? -0.729  -21.542 -8.803  1.00 36.93  ? 1583 TYR A HB3  1 
ATOM   1259 H HD1  . TYR A 1 94  ? 0.443   -21.368 -5.501  1.00 41.87  ? 1583 TYR A HD1  1 
ATOM   1260 H HD2  . TYR A 1 94  ? -0.546  -23.850 -8.480  1.00 43.35  ? 1583 TYR A HD2  1 
ATOM   1261 H HE1  . TYR A 1 94  ? 0.612   -23.178 -4.061  1.00 44.01  ? 1583 TYR A HE1  1 
ATOM   1262 H HE2  . TYR A 1 94  ? -0.491  -25.623 -7.045  1.00 45.68  ? 1583 TYR A HE2  1 
ATOM   1263 H HH   . TYR A 1 94  ? -0.126  -26.336 -4.987  1.00 50.76  ? 1583 TYR A HH   1 
ATOM   1264 N N    . ARG A 1 95  ? 0.554   -20.575 -11.093 1.00 28.84  ? 1584 ARG A N    1 
ATOM   1265 C CA   . ARG A 1 95  ? -0.078  -19.840 -12.193 1.00 29.48  ? 1584 ARG A CA   1 
ATOM   1266 C C    . ARG A 1 95  ? -1.463  -20.448 -12.368 1.00 28.16  ? 1584 ARG A C    1 
ATOM   1267 O O    . ARG A 1 95  ? -1.589  -21.673 -12.466 1.00 30.64  ? 1584 ARG A O    1 
ATOM   1268 C CB   . ARG A 1 95  ? 0.691   -19.927 -13.528 1.00 32.85  ? 1584 ARG A CB   1 
ATOM   1269 C CG   . ARG A 1 95  ? 2.049   -19.295 -13.495 1.00 37.95  ? 1584 ARG A CG   1 
ATOM   1270 C CD   . ARG A 1 95  ? 2.586   -19.071 -14.896 1.00 43.88  ? 1584 ARG A CD   1 
ATOM   1271 N NE   . ARG A 1 95  ? 2.526   -20.254 -15.745 1.00 49.07  ? 1584 ARG A NE   1 
ATOM   1272 C CZ   . ARG A 1 95  ? 2.575   -20.222 -17.070 1.00 51.98  ? 1584 ARG A CZ   1 
ATOM   1273 N NH1  . ARG A 1 95  ? 2.575   -19.078 -17.729 1.00 53.32  ? 1584 ARG A NH1  1 
ATOM   1274 N NH2  . ARG A 1 95  ? 2.634   -21.365 -17.746 1.00 53.46  ? 1584 ARG A NH2  1 
ATOM   1275 H H    . ARG A 1 95  ? 0.681   -21.409 -11.265 1.00 34.62  ? 1584 ARG A H    1 
ATOM   1276 H HA   . ARG A 1 95  ? -0.119  -18.897 -11.969 1.00 35.39  ? 1584 ARG A HA   1 
ATOM   1277 H HB2  . ARG A 1 95  ? 0.808   -20.862 -13.758 1.00 39.44  ? 1584 ARG A HB2  1 
ATOM   1278 H HB3  . ARG A 1 95  ? 0.174   -19.478 -14.214 1.00 39.44  ? 1584 ARG A HB3  1 
ATOM   1279 H HG2  . ARG A 1 95  ? 1.993   -18.435 -13.048 1.00 45.55  ? 1584 ARG A HG2  1 
ATOM   1280 H HG3  . ARG A 1 95  ? 2.664   -19.876 -13.021 1.00 45.55  ? 1584 ARG A HG3  1 
ATOM   1281 H HD2  . ARG A 1 95  ? 2.064   -18.374 -15.323 1.00 52.67  ? 1584 ARG A HD2  1 
ATOM   1282 H HD3  . ARG A 1 95  ? 3.515   -18.799 -14.834 1.00 52.67  ? 1584 ARG A HD3  1 
ATOM   1283 H HE   . ARG A 1 95  ? 2.453   -21.021 -15.363 1.00 58.90  ? 1584 ARG A HE   1 
ATOM   1284 H HH11 . ARG A 1 95  ? 2.543   -18.334 -17.299 1.00 64.00  ? 1584 ARG A HH11 1 
ATOM   1285 H HH12 . ARG A 1 95  ? 2.607   -19.077 -18.588 1.00 64.00  ? 1584 ARG A HH12 1 
ATOM   1286 H HH21 . ARG A 1 95  ? 2.640   -22.114 -17.324 1.00 64.17  ? 1584 ARG A HH21 1 
ATOM   1287 H HH22 . ARG A 1 95  ? 2.666   -21.355 -18.605 1.00 64.17  ? 1584 ARG A HH22 1 
ATOM   1288 N N    . VAL A 1 96  ? -2.488  -19.607 -12.417 1.00 27.64  ? 1585 VAL A N    1 
ATOM   1289 C CA   . VAL A 1 96  ? -3.871  -20.051 -12.424 1.00 26.73  ? 1585 VAL A CA   1 
ATOM   1290 C C    . VAL A 1 96  ? -4.570  -19.497 -13.656 1.00 26.88  ? 1585 VAL A C    1 
ATOM   1291 O O    . VAL A 1 96  ? -4.540  -18.282 -13.904 1.00 27.88  ? 1585 VAL A O    1 
ATOM   1292 C CB   . VAL A 1 96  ? -4.567  -19.503 -11.173 1.00 28.41  ? 1585 VAL A CB   1 
ATOM   1293 C CG1  . VAL A 1 96  ? -6.027  -19.889 -11.147 1.00 31.54  ? 1585 VAL A CG1  1 
ATOM   1294 C CG2  . VAL A 1 96  ? -3.852  -19.980 -9.945  1.00 30.35  ? 1585 VAL A CG2  1 
ATOM   1295 H H    . VAL A 1 96  ? -2.402  -18.752 -12.448 1.00 33.18  ? 1585 VAL A H    1 
ATOM   1296 H HA   . VAL A 1 96  ? -3.908  -21.019 -12.465 1.00 32.09  ? 1585 VAL A HA   1 
ATOM   1297 H HB   . VAL A 1 96  ? -4.533  -18.533 -11.189 1.00 34.11  ? 1585 VAL A HB   1 
ATOM   1298 H HG11 . VAL A 1 96  ? -6.380  -19.729 -10.258 1.00 37.87  ? 1585 VAL A HG11 1 
ATOM   1299 H HG12 . VAL A 1 96  ? -6.508  -19.351 -11.795 1.00 37.87  ? 1585 VAL A HG12 1 
ATOM   1300 H HG13 . VAL A 1 96  ? -6.109  -20.829 -11.371 1.00 37.87  ? 1585 VAL A HG13 1 
ATOM   1301 H HG21 . VAL A 1 96  ? -4.341  -19.684 -9.161  1.00 36.43  ? 1585 VAL A HG21 1 
ATOM   1302 H HG22 . VAL A 1 96  ? -3.808  -20.949 -9.962  1.00 36.43  ? 1585 VAL A HG22 1 
ATOM   1303 H HG23 . VAL A 1 96  ? -2.957  -19.608 -9.937  1.00 36.43  ? 1585 VAL A HG23 1 
ATOM   1304 N N    . LYS A 1 97  ? -5.220  -20.381 -14.410 1.00 26.15  ? 1586 LYS A N    1 
ATOM   1305 C CA   . LYS A 1 97  ? -6.133  -19.946 -15.453 1.00 26.82  ? 1586 LYS A CA   1 
ATOM   1306 C C    . LYS A 1 97  ? -7.497  -19.746 -14.839 1.00 25.56  ? 1586 LYS A C    1 
ATOM   1307 O O    . LYS A 1 97  ? -7.962  -20.576 -14.059 1.00 28.08  ? 1586 LYS A O    1 
ATOM   1308 C CB   . LYS A 1 97  ? -6.207  -20.983 -16.573 1.00 30.87  ? 1586 LYS A CB   1 
ATOM   1309 C CG   . LYS A 1 97  ? -4.865  -21.214 -17.238 1.00 32.24  ? 1586 LYS A CG   1 
ATOM   1310 C CD   . LYS A 1 97  ? -5.008  -22.247 -18.306 1.00 36.08  ? 1586 LYS A CD   1 
ATOM   1311 C CE   . LYS A 1 97  ? -3.657  -22.594 -18.864 1.00 39.03  ? 1586 LYS A CE   1 
ATOM   1312 N NZ   . LYS A 1 97  ? -3.812  -23.438 -20.053 1.00 43.23  ? 1586 LYS A NZ   1 
ATOM   1313 H H    . LYS A 1 97  ? -5.146  -21.234 -14.334 1.00 31.39  ? 1586 LYS A H    1 
ATOM   1314 H HA   . LYS A 1 97  ? -5.830  -19.113 -15.846 1.00 32.20  ? 1586 LYS A HA   1 
ATOM   1315 H HB2  . LYS A 1 97  ? -6.509  -21.828 -16.203 1.00 37.06  ? 1586 LYS A HB2  1 
ATOM   1316 H HB3  . LYS A 1 97  ? -6.830  -20.675 -17.249 1.00 37.06  ? 1586 LYS A HB3  1 
ATOM   1317 H HG2  . LYS A 1 97  ? -4.552  -20.389 -17.640 1.00 38.70  ? 1586 LYS A HG2  1 
ATOM   1318 H HG3  . LYS A 1 97  ? -4.223  -21.528 -16.583 1.00 38.70  ? 1586 LYS A HG3  1 
ATOM   1319 H HD2  . LYS A 1 97  ? -5.408  -23.049 -17.935 1.00 43.32  ? 1586 LYS A HD2  1 
ATOM   1320 H HD3  . LYS A 1 97  ? -5.562  -21.901 -19.024 1.00 43.32  ? 1586 LYS A HD3  1 
ATOM   1321 H HE2  . LYS A 1 97  ? -3.187  -21.783 -19.115 1.00 46.86  ? 1586 LYS A HE2  1 
ATOM   1322 H HE3  . LYS A 1 97  ? -3.144  -23.082 -18.200 1.00 46.86  ? 1586 LYS A HE3  1 
ATOM   1323 H HZ1  . LYS A 1 97  ? -3.013  -23.659 -20.376 1.00 51.89  ? 1586 LYS A HZ1  1 
ATOM   1324 H HZ2  . LYS A 1 97  ? -4.255  -24.181 -19.843 1.00 51.89  ? 1586 LYS A HZ2  1 
ATOM   1325 H HZ3  . LYS A 1 97  ? -4.266  -22.998 -20.680 1.00 51.89  ? 1586 LYS A HZ3  1 
ATOM   1326 N N    . ALA A 1 98  ? -8.165  -18.668 -15.221 1.00 25.35  ? 1587 ALA A N    1 
ATOM   1327 C CA   . ALA A 1 98  ? -9.475  -18.335 -14.676 1.00 25.88  ? 1587 ALA A CA   1 
ATOM   1328 C C    . ALA A 1 98  ? -10.365 -17.790 -15.795 1.00 27.08  ? 1587 ALA A C    1 
ATOM   1329 O O    . ALA A 1 98  ? -9.903  -17.267 -16.826 1.00 31.92  ? 1587 ALA A O    1 
ATOM   1330 C CB   . ALA A 1 98  ? -9.445  -17.337 -13.496 1.00 25.69  ? 1587 ALA A CB   1 
ATOM   1331 H H    . ALA A 1 98  ? -7.878  -18.103 -15.803 1.00 30.43  ? 1587 ALA A H    1 
ATOM   1332 H HA   . ALA A 1 98  ? -9.858  -19.157 -14.332 1.00 31.07  ? 1587 ALA A HA   1 
ATOM   1333 H HB1  . ALA A 1 98  ? -10.354 -17.170 -13.201 1.00 30.85  ? 1587 ALA A HB1  1 
ATOM   1334 H HB2  . ALA A 1 98  ? -8.927  -17.721 -12.771 1.00 30.85  ? 1587 ALA A HB2  1 
ATOM   1335 H HB3  . ALA A 1 98  ? -9.036  -16.509 -13.793 1.00 30.85  ? 1587 ALA A HB3  1 
ATOM   1336 N N    . VAL A 1 99  ? -11.668 -17.884 -15.573 1.00 27.48  ? 1588 VAL A N    1 
ATOM   1337 C CA   . VAL A 1 99  ? -12.623 -17.295 -16.509 1.00 29.60  ? 1588 VAL A CA   1 
ATOM   1338 C C    . VAL A 1 99  ? -13.556 -16.381 -15.744 1.00 30.46  ? 1588 VAL A C    1 
ATOM   1339 O O    . VAL A 1 99  ? -13.641 -16.455 -14.523 1.00 29.59  ? 1588 VAL A O    1 
ATOM   1340 C CB   . VAL A 1 99  ? -13.420 -18.332 -17.296 1.00 33.54  ? 1588 VAL A CB   1 
ATOM   1341 C CG1  . VAL A 1 99  ? -12.504 -19.174 -18.177 1.00 35.37  ? 1588 VAL A CG1  1 
ATOM   1342 C CG2  . VAL A 1 99  ? -14.217 -19.198 -16.349 1.00 34.10  ? 1588 VAL A CG2  1 
ATOM   1343 H H    . VAL A 1 99  ? -12.022 -18.278 -14.895 1.00 32.99  ? 1588 VAL A H    1 
ATOM   1344 H HA   . VAL A 1 99  ? -12.130 -16.761 -17.152 1.00 35.53  ? 1588 VAL A HA   1 
ATOM   1345 H HB   . VAL A 1 99  ? -14.041 -17.875 -17.885 1.00 40.26  ? 1588 VAL A HB   1 
ATOM   1346 H HG11 . VAL A 1 99  ? -13.039 -19.824 -18.659 1.00 42.46  ? 1588 VAL A HG11 1 
ATOM   1347 H HG12 . VAL A 1 99  ? -12.046 -18.592 -18.804 1.00 42.46  ? 1588 VAL A HG12 1 
ATOM   1348 H HG13 . VAL A 1 99  ? -11.857 -19.629 -17.616 1.00 42.46  ? 1588 VAL A HG13 1 
ATOM   1349 H HG21 . VAL A 1 99  ? -14.698 -19.866 -16.861 1.00 40.94  ? 1588 VAL A HG21 1 
ATOM   1350 H HG22 . VAL A 1 99  ? -13.609 -19.631 -15.729 1.00 40.94  ? 1588 VAL A HG22 1 
ATOM   1351 H HG23 . VAL A 1 99  ? -14.843 -18.640 -15.862 1.00 40.94  ? 1588 VAL A HG23 1 
ATOM   1352 N N    . SER A 1 100 ? -14.236 -15.495 -16.454 1.00 33.25  ? 1589 SER A N    1 
ATOM   1353 C CA   . SER A 1 100 ? -15.095 -14.523 -15.786 1.00 35.66  ? 1589 SER A CA   1 
ATOM   1354 C C    . SER A 1 100 ? -16.264 -15.222 -15.104 1.00 36.80  ? 1589 SER A C    1 
ATOM   1355 O O    . SER A 1 100 ? -16.677 -16.329 -15.476 1.00 36.94  ? 1589 SER A O    1 
ATOM   1356 C CB   . SER A 1 100 ? -15.589 -13.486 -16.802 1.00 41.03  ? 1589 SER A CB   1 
ATOM   1357 O OG   . SER A 1 100 ? -16.509 -14.083 -17.676 1.00 46.96  ? 1589 SER A OG   1 
ATOM   1358 H H    . SER A 1 100 ? -14.220 -15.433 -17.312 1.00 39.92  ? 1589 SER A H    1 
ATOM   1359 H HA   . SER A 1 100 ? -14.599 -14.051 -15.098 1.00 42.81  ? 1589 SER A HA   1 
ATOM   1360 H HB2  . SER A 1 100 ? -16.021 -12.757 -16.331 1.00 49.25  ? 1589 SER A HB2  1 
ATOM   1361 H HB3  . SER A 1 100 ? -14.834 -13.152 -17.311 1.00 49.25  ? 1589 SER A HB3  1 
ATOM   1362 H HG   . SER A 1 100 ? -16.811 -13.510 -18.211 1.00 56.37  ? 1589 SER A HG   1 
ATOM   1363 N N    . TRP A 1 101 ? -16.752 -14.606 -14.043 1.00 38.87  ? 1590 TRP A N    1 
ATOM   1364 C CA   . TRP A 1 101 ? -17.988 -15.072 -13.436 1.00 45.07  ? 1590 TRP A CA   1 
ATOM   1365 C C    . TRP A 1 101 ? -19.174 -14.159 -13.745 1.00 50.26  ? 1590 TRP A C    1 
ATOM   1366 O O    . TRP A 1 101 ? -19.315 -13.111 -13.146 1.00 54.01  ? 1590 TRP A O    1 
ATOM   1367 C CB   . TRP A 1 101 ? -17.700 -15.204 -11.952 1.00 46.77  ? 1590 TRP A CB   1 
ATOM   1368 C CG   . TRP A 1 101 ? -18.811 -15.701 -11.170 1.00 48.24  ? 1590 TRP A CG   1 
ATOM   1369 C CD1  . TRP A 1 101 ? -19.274 -16.986 -11.134 1.00 47.95  ? 1590 TRP A CD1  1 
ATOM   1370 C CD2  . TRP A 1 101 ? -19.570 -14.969 -10.230 1.00 48.83  ? 1590 TRP A CD2  1 
ATOM   1371 N NE1  . TRP A 1 101 ? -20.295 -17.091 -10.232 1.00 49.81  ? 1590 TRP A NE1  1 
ATOM   1372 C CE2  . TRP A 1 101 ? -20.503 -15.859 -9.667  1.00 49.64  ? 1590 TRP A CE2  1 
ATOM   1373 C CE3  . TRP A 1 101 ? -19.559 -13.640 -9.807  1.00 49.20  ? 1590 TRP A CE3  1 
ATOM   1374 C CZ2  . TRP A 1 101 ? -21.418 -15.459 -8.703  1.00 51.63  ? 1590 TRP A CZ2  1 
ATOM   1375 C CZ3  . TRP A 1 101 ? -20.469 -13.244 -8.865  1.00 51.44  ? 1590 TRP A CZ3  1 
ATOM   1376 C CH2  . TRP A 1 101 ? -21.393 -14.146 -8.326  1.00 52.27  ? 1590 TRP A CH2  1 
ATOM   1377 H H    . TRP A 1 101 ? -16.393 -13.924 -13.660 1.00 46.67  ? 1590 TRP A H    1 
ATOM   1378 H HA   . TRP A 1 101 ? -18.270 -15.930 -13.790 1.00 54.11  ? 1590 TRP A HA   1 
ATOM   1379 H HB2  . TRP A 1 101 ? -16.960 -15.819 -11.834 1.00 56.14  ? 1590 TRP A HB2  1 
ATOM   1380 H HB3  . TRP A 1 101 ? -17.465 -14.330 -11.603 1.00 56.14  ? 1590 TRP A HB3  1 
ATOM   1381 H HD1  . TRP A 1 101 ? -18.942 -17.687 -11.648 1.00 57.56  ? 1590 TRP A HD1  1 
ATOM   1382 H HE1  . TRP A 1 101 ? -20.733 -17.808 -10.050 1.00 59.79  ? 1590 TRP A HE1  1 
ATOM   1383 H HE3  . TRP A 1 101 ? -18.945 -13.036 -10.157 1.00 59.06  ? 1590 TRP A HE3  1 
ATOM   1384 H HZ2  . TRP A 1 101 ? -22.023 -16.059 -8.330  1.00 61.97  ? 1590 TRP A HZ2  1 
ATOM   1385 H HZ3  . TRP A 1 101 ? -20.473 -12.359 -8.579  1.00 61.75  ? 1590 TRP A HZ3  1 
ATOM   1386 H HH2  . TRP A 1 101 ? -22.006 -13.843 -7.695  1.00 62.74  ? 1590 TRP A HH2  1 
HETATM 1387 N N    . SEP B 2 4   ? 12.559  -20.471 -19.787 1.00 75.73  ? 123  SEP C N    1 
HETATM 1388 C CA   . SEP B 2 4   ? 13.520  -20.997 -18.780 1.00 76.47  ? 123  SEP C CA   1 
HETATM 1389 C CB   . SEP B 2 4   ? 14.947  -20.975 -19.331 1.00 83.41  ? 123  SEP C CB   1 
HETATM 1390 O OG   . SEP B 2 4   ? 15.010  -21.427 -20.664 1.00 89.56  ? 123  SEP C OG   1 
HETATM 1391 C C    . SEP B 2 4   ? 13.510  -20.183 -17.487 1.00 70.97  ? 123  SEP C C    1 
HETATM 1392 O O    . SEP B 2 4   ? 14.381  -20.339 -16.632 1.00 70.39  ? 123  SEP C O    1 
HETATM 1393 P P    . SEP B 2 4   ? 16.182  -20.593 -21.406 1.00 95.03  ? 123  SEP C P    1 
HETATM 1394 O O1P  . SEP B 2 4   ? 15.574  -19.213 -21.982 1.00 96.29  ? 123  SEP C O1P  1 
HETATM 1395 O O2P  . SEP B 2 4   ? 17.328  -20.272 -20.312 1.00 95.90  ? 123  SEP C O2P  1 
HETATM 1396 O O3P  . SEP B 2 4   ? 16.795  -21.444 -22.627 1.00 96.45  ? 123  SEP C O3P  1 
HETATM 1397 H H    . SEP B 2 4   ? 12.719  -19.613 -19.939 1.00 90.89  ? 123  SEP C H    1 
HETATM 1398 H HA   . SEP B 2 4   ? 13.253  -21.918 -18.577 1.00 91.78  ? 123  SEP C HA   1 
HETATM 1399 H HB2  . SEP B 2 4   ? 15.502  -21.550 -18.782 1.00 100.11 ? 123  SEP C HB2  1 
HETATM 1400 H HB3  . SEP B 2 4   ? 15.279  -20.064 -19.297 1.00 100.11 ? 123  SEP C HB3  1 
ATOM   1401 N N    . GLU B 2 5   ? 12.547  -19.282 -17.369 1.00 66.30  ? 124  GLU C N    1 
ATOM   1402 C CA   . GLU B 2 5   ? 12.462  -18.420 -16.191 1.00 62.71  ? 124  GLU C CA   1 
ATOM   1403 C C    . GLU B 2 5   ? 11.945  -19.219 -15.014 1.00 57.07  ? 124  GLU C C    1 
ATOM   1404 O O    . GLU B 2 5   ? 12.207  -18.882 -13.864 1.00 55.62  ? 124  GLU C O    1 
ATOM   1405 C CB   . GLU B 2 5   ? 11.482  -17.281 -16.431 1.00 64.63  ? 124  GLU C CB   1 
ATOM   1406 C CG   . GLU B 2 5   ? 12.047  -16.169 -17.259 1.00 66.78  ? 124  GLU C CG   1 
ATOM   1407 C CD   . GLU B 2 5   ? 11.167  -14.938 -17.271 1.00 69.43  ? 124  GLU C CD   1 
ATOM   1408 O OE1  . GLU B 2 5   ? 9.969   -15.053 -16.929 1.00 68.90  ? 124  GLU C OE1  1 
ATOM   1409 O OE2  . GLU B 2 5   ? 11.668  -13.878 -17.740 1.00 71.36  ? 124  GLU C OE2  1 
ATOM   1410 H H    . GLU B 2 5   ? 11.930  -19.148 -17.953 1.00 79.57  ? 124  GLU C H    1 
ATOM   1411 H HA   . GLU B 2 5   ? 13.341  -18.055 -16.003 1.00 75.27  ? 124  GLU C HA   1 
ATOM   1412 H HB2  . GLU B 2 5   ? 10.704  -17.631 -16.895 1.00 77.57  ? 124  GLU C HB2  1 
ATOM   1413 H HB3  . GLU B 2 5   ? 11.218  -16.910 -15.575 1.00 77.57  ? 124  GLU C HB3  1 
ATOM   1414 H HG2  . GLU B 2 5   ? 12.911  -15.915 -16.899 1.00 80.15  ? 124  GLU C HG2  1 
ATOM   1415 H HG3  . GLU B 2 5   ? 12.145  -16.475 -18.174 1.00 80.15  ? 124  GLU C HG3  1 
ATOM   1416 N N    . PHE B 2 6   ? 11.143  -20.236 -15.303 1.00 53.37  ? 125  PHE C N    1 
ATOM   1417 C CA   . PHE B 2 6   ? 10.537  -21.043 -14.253 1.00 51.56  ? 125  PHE C CA   1 
ATOM   1418 C C    . PHE B 2 6   ? 10.235  -22.411 -14.839 1.00 52.54  ? 125  PHE C C    1 
ATOM   1419 O O    . PHE B 2 6   ? 10.239  -22.599 -16.052 1.00 52.01  ? 125  PHE C O    1 
ATOM   1420 C CB   . PHE B 2 6   ? 9.257   -20.396 -13.711 1.00 50.33  ? 125  PHE C CB   1 
ATOM   1421 C CG   . PHE B 2 6   ? 8.172   -20.246 -14.735 1.00 49.93  ? 125  PHE C CG   1 
ATOM   1422 C CD1  . PHE B 2 6   ? 8.126   -19.138 -15.562 1.00 51.94  ? 125  PHE C CD1  1 
ATOM   1423 C CD2  . PHE B 2 6   ? 7.207   -21.224 -14.883 1.00 49.57  ? 125  PHE C CD2  1 
ATOM   1424 C CE1  . PHE B 2 6   ? 7.127   -19.010 -16.521 1.00 52.32  ? 125  PHE C CE1  1 
ATOM   1425 C CE2  . PHE B 2 6   ? 6.217   -21.101 -15.834 1.00 51.33  ? 125  PHE C CE2  1 
ATOM   1426 C CZ   . PHE B 2 6   ? 6.175   -19.994 -16.650 1.00 51.67  ? 125  PHE C CZ   1 
ATOM   1427 H H    . PHE B 2 6   ? 10.934  -20.480 -16.101 1.00 64.06  ? 125  PHE C H    1 
ATOM   1428 H HA   . PHE B 2 6   ? 11.162  -21.139 -13.518 1.00 61.88  ? 125  PHE C HA   1 
ATOM   1429 H HB2  . PHE B 2 6   ? 8.910   -20.947 -12.992 1.00 60.42  ? 125  PHE C HB2  1 
ATOM   1430 H HB3  . PHE B 2 6   ? 9.472   -19.512 -13.377 1.00 60.42  ? 125  PHE C HB3  1 
ATOM   1431 H HD1  . PHE B 2 6   ? 8.770   -18.472 -15.475 1.00 62.34  ? 125  PHE C HD1  1 
ATOM   1432 H HD2  . PHE B 2 6   ? 7.225   -21.975 -14.334 1.00 59.50  ? 125  PHE C HD2  1 
ATOM   1433 H HE1  . PHE B 2 6   ? 7.103   -18.262 -17.073 1.00 62.80  ? 125  PHE C HE1  1 
ATOM   1434 H HE2  . PHE B 2 6   ? 5.575   -21.768 -15.924 1.00 61.61  ? 125  PHE C HE2  1 
ATOM   1435 H HZ   . PHE B 2 6   ? 5.504   -19.911 -17.289 1.00 62.02  ? 125  PHE C HZ   1 
ATOM   1436 N N    . GLU B 2 7   ? 9.928   -23.356 -13.969 1.00 54.77  ? 126  GLU C N    1 
ATOM   1437 C CA   . GLU B 2 7   ? 9.625   -24.713 -14.394 1.00 57.79  ? 126  GLU C CA   1 
ATOM   1438 C C    . GLU B 2 7   ? 8.573   -25.260 -13.453 1.00 55.66  ? 126  GLU C C    1 
ATOM   1439 O O    . GLU B 2 7   ? 8.405   -24.776 -12.332 1.00 53.95  ? 126  GLU C O    1 
ATOM   1440 C CB   . GLU B 2 7   ? 10.895  -25.568 -14.481 1.00 63.31  ? 126  GLU C CB   1 
ATOM   1441 C CG   . GLU B 2 7   ? 11.307  -26.291 -13.220 1.00 68.44  ? 126  GLU C CG   1 
ATOM   1442 C CD   . GLU B 2 7   ? 12.329  -27.394 -13.509 1.00 73.03  ? 126  GLU C CD   1 
ATOM   1443 O OE1  . GLU B 2 7   ? 11.944  -28.436 -14.086 1.00 75.11  ? 126  GLU C OE1  1 
ATOM   1444 O OE2  . GLU B 2 7   ? 13.518  -27.220 -13.153 1.00 74.34  ? 126  GLU C OE2  1 
ATOM   1445 H H    . GLU B 2 7   ? 9.887   -23.238 -13.118 1.00 65.74  ? 126  GLU C H    1 
ATOM   1446 H HA   . GLU B 2 7   ? 9.240   -24.740 -15.285 1.00 69.37  ? 126  GLU C HA   1 
ATOM   1447 H HB2  . GLU B 2 7   ? 10.757  -26.244 -15.164 1.00 75.98  ? 126  GLU C HB2  1 
ATOM   1448 H HB3  . GLU B 2 7   ? 11.632  -24.989 -14.731 1.00 75.98  ? 126  GLU C HB3  1 
ATOM   1449 H HG2  . GLU B 2 7   ? 11.709  -25.657 -12.605 1.00 82.14  ? 126  GLU C HG2  1 
ATOM   1450 H HG3  . GLU B 2 7   ? 10.526  -26.698 -12.815 1.00 82.14  ? 126  GLU C HG3  1 
ATOM   1451 N N    . VAL B 2 8   ? 7.815   -26.222 -13.955 1.00 54.70  ? 127  VAL C N    1 
ATOM   1452 C CA   . VAL B 2 8   ? 6.710   -26.798 -13.202 1.00 52.19  ? 127  VAL C CA   1 
ATOM   1453 C C    . VAL B 2 8   ? 7.268   -27.846 -12.252 1.00 52.37  ? 127  VAL C C    1 
ATOM   1454 O O    . VAL B 2 8   ? 8.147   -28.641 -12.623 1.00 52.75  ? 127  VAL C O    1 
ATOM   1455 C CB   . VAL B 2 8   ? 5.663   -27.387 -14.161 1.00 49.45  ? 127  VAL C CB   1 
ATOM   1456 H H    . VAL B 2 8   ? 7.921   -26.562 -14.738 1.00 65.65  ? 127  VAL C H    1 
ATOM   1457 H HA   . VAL B 2 8   ? 6.272   -26.110 -12.676 1.00 62.65  ? 127  VAL C HA   1 
ATOM   1458 N N    . VAL B 2 9   ? 6.787   -27.824 -11.018 1.00 53.26  ? 128  VAL C N    1 
ATOM   1459 C CA   . VAL B 2 9   ? 7.323   -28.636 -9.941  1.00 54.40  ? 128  VAL C CA   1 
ATOM   1460 C C    . VAL B 2 9   ? 6.271   -29.606 -9.407  1.00 56.42  ? 128  VAL C C    1 
ATOM   1461 O O    . VAL B 2 9   ? 5.135   -29.212 -9.156  1.00 56.61  ? 128  VAL C O    1 
ATOM   1462 C CB   . VAL B 2 9   ? 7.820   -27.728 -8.793  1.00 54.63  ? 128  VAL C CB   1 
ATOM   1463 H H    . VAL B 2 9   ? 6.127   -27.330 -10.771 1.00 63.93  ? 128  VAL C H    1 
ATOM   1464 H HA   . VAL B 2 9   ? 8.063   -29.159 -10.287 1.00 65.30  ? 128  VAL C HA   1 
HETATM 1465 O O    . HOH C 3 .   ? -2.747  -7.461  -22.128 1.00 70.09  ? 1601 HOH A O    1 
HETATM 1466 O O    . HOH C 3 .   ? -21.268 -16.852 -4.363  1.00 39.95  ? 1602 HOH A O    1 
HETATM 1467 O O    . HOH C 3 .   ? -19.844 -10.680 -1.472  1.00 32.75  ? 1603 HOH A O    1 
HETATM 1468 O O    . HOH C 3 .   ? -8.723  -15.703 -22.076 1.00 40.58  ? 1604 HOH A O    1 
HETATM 1469 O O    . HOH C 3 .   ? -18.303 -19.370 -3.390  1.00 37.93  ? 1605 HOH A O    1 
HETATM 1470 O O    . HOH C 3 .   ? -3.966  -24.867 -4.423  1.00 41.37  ? 1606 HOH A O    1 
HETATM 1471 O O    . HOH C 3 .   ? -10.529 -23.160 -1.711  1.00 46.71  ? 1607 HOH A O    1 
HETATM 1472 O O    . HOH C 3 .   ? 0.183   -9.924  -3.873  1.00 37.72  ? 1608 HOH A O    1 
HETATM 1473 O O    . HOH C 3 .   ? -8.265  -27.717 -15.763 1.00 46.65  ? 1609 HOH A O    1 
HETATM 1474 O O    . HOH C 3 .   ? 0.402   -13.994 -1.437  1.00 33.29  ? 1610 HOH A O    1 
HETATM 1475 O O    . HOH C 3 .   ? -2.991  -20.884 -0.196  1.00 36.41  ? 1611 HOH A O    1 
HETATM 1476 O O    . HOH C 3 .   ? 9.806   -15.642 -2.330  1.00 40.53  ? 1612 HOH A O    1 
HETATM 1477 O O    . HOH C 3 .   ? -14.530 -5.027  -11.428 1.00 43.10  ? 1613 HOH A O    1 
HETATM 1478 O O    . HOH C 3 .   ? -1.720  -14.362 -4.934  1.00 24.24  ? 1614 HOH A O    1 
HETATM 1479 O O    . HOH C 3 .   ? -9.689  -14.635 -4.005  1.00 20.40  ? 1615 HOH A O    1 
HETATM 1480 O O    . HOH C 3 .   ? -1.321  -28.578 -10.743 1.00 51.82  ? 1616 HOH A O    1 
HETATM 1481 O O    . HOH C 3 .   ? -2.398  -5.597  -4.824  1.00 42.22  ? 1617 HOH A O    1 
HETATM 1482 O O    . HOH C 3 .   ? -1.074  -10.153 -15.115 1.00 39.77  ? 1618 HOH A O    1 
HETATM 1483 O O    . HOH C 3 .   ? -14.252 -15.428 -19.337 1.00 50.82  ? 1619 HOH A O    1 
HETATM 1484 O O    . HOH C 3 .   ? 4.886   -17.434 -3.933  1.00 38.83  ? 1620 HOH A O    1 
HETATM 1485 O O    . HOH C 3 .   ? -11.547 -26.778 -15.468 1.00 34.98  ? 1621 HOH A O    1 
HETATM 1486 O O    . HOH C 3 .   ? -13.076 -24.878 -2.224  1.00 45.82  ? 1622 HOH A O    1 
HETATM 1487 O O    . HOH C 3 .   ? -8.297  -28.302 -7.842  1.00 37.65  ? 1623 HOH A O    1 
HETATM 1488 O O    . HOH C 3 .   ? -13.956 -24.031 -13.101 1.00 46.65  ? 1624 HOH A O    1 
HETATM 1489 O O    . HOH C 3 .   ? -14.305 -25.642 -5.978  1.00 40.08  ? 1625 HOH A O    1 
HETATM 1490 O O    . HOH C 3 .   ? 1.599   -28.246 -11.287 1.00 55.51  ? 1626 HOH A O    1 
HETATM 1491 O O    . HOH C 3 .   ? 1.989   -16.285 -17.136 1.00 40.00  ? 1627 HOH A O    1 
HETATM 1492 O O    . HOH C 3 .   ? -3.393  -11.242 -1.646  1.00 35.25  ? 1628 HOH A O    1 
HETATM 1493 O O    . HOH C 3 .   ? -16.313 -20.755 -4.559  1.00 40.03  ? 1629 HOH A O    1 
HETATM 1494 O O    . HOH C 3 .   ? -7.864  -18.480 10.048  1.00 56.15  ? 1630 HOH A O    1 
HETATM 1495 O O    . HOH C 3 .   ? 2.888   -12.744 -0.800  1.00 44.85  ? 1631 HOH A O    1 
HETATM 1496 O O    . HOH C 3 .   ? -16.148 -8.760  -11.676 1.00 34.60  ? 1632 HOH A O    1 
HETATM 1497 O O    . HOH C 3 .   ? -5.384  -27.836 -12.388 1.00 37.36  ? 1633 HOH A O    1 
HETATM 1498 O O    . HOH C 3 .   ? 15.634  -22.272 -8.255  1.00 62.75  ? 1634 HOH A O    1 
HETATM 1499 O O    . HOH C 3 .   ? -2.717  -22.895 -15.052 1.00 47.35  ? 1635 HOH A O    1 
HETATM 1500 O O    . HOH C 3 .   ? -8.676  -19.038 -19.045 1.00 40.25  ? 1636 HOH A O    1 
HETATM 1501 O O    . HOH C 3 .   ? -7.920  -2.743  -17.920 1.00 49.12  ? 1637 HOH A O    1 
HETATM 1502 O O    . HOH C 3 .   ? -23.978 -16.397 -5.805  1.00 51.72  ? 1638 HOH A O    1 
HETATM 1503 O O    . HOH C 3 .   ? -11.709 -0.523  -7.398  1.00 51.45  ? 1639 HOH A O    1 
HETATM 1504 O O    . HOH C 3 .   ? -2.944  -18.158 8.406   1.00 46.05  ? 1640 HOH A O    1 
HETATM 1505 O O    . HOH C 3 .   ? -0.978  -12.291 -3.056  1.00 28.66  ? 1641 HOH A O    1 
HETATM 1506 O O    . HOH C 3 .   ? -1.544  -7.699  -3.353  1.00 44.47  ? 1642 HOH A O    1 
HETATM 1507 O O    . HOH C 3 .   ? -12.973 -16.318 -23.970 1.00 49.57  ? 1643 HOH A O    1 
HETATM 1508 O O    . HOH C 3 .   ? -4.705  -17.497 10.864  1.00 46.45  ? 1644 HOH A O    1 
HETATM 1509 O O    . HOH C 3 .   ? -3.303  -8.543  -1.389  1.00 42.22  ? 1645 HOH A O    1 
HETATM 1510 O O    . HOH D 3 .   ? 10.289  -12.493 -19.563 1.00 57.14  ? 201  HOH C O    1 
HETATM 1511 O O    . HOH D 3 .   ? 8.516   -23.228 -18.246 1.00 62.27  ? 202  HOH C 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   . GLU A 5   ? 0.4150 0.7949 0.4897 0.0219  -0.0682 0.0783  1494 GLU A N   
2    C CA  . GLU A 5   ? 0.4306 0.7150 0.4632 0.0667  -0.0729 0.0233  1494 GLU A CA  
3    C C   . GLU A 5   ? 0.3937 0.6166 0.4155 0.0571  -0.0666 -0.0357 1494 GLU A C   
4    O O   . GLU A 5   ? 0.4111 0.6128 0.4267 0.1278  -0.0993 -0.0450 1494 GLU A O   
5    C CB  . GLU A 5   ? 0.5568 0.7662 0.4716 0.0909  -0.0477 0.0284  1494 GLU A CB  
6    C CG  . GLU A 5   ? 0.6222 0.8026 0.4575 0.1553  -0.0041 0.0071  1494 GLU A CG  
7    C CD  . GLU A 5   ? 0.7062 0.8375 0.4669 0.1965  0.0042  0.0125  1494 GLU A CD  
8    O OE1 . GLU A 5   ? 0.7177 0.8284 0.4424 0.2384  -0.0407 0.0250  1494 GLU A OE1 
9    O OE2 . GLU A 5   ? 0.7152 0.8552 0.4572 0.2093  -0.0192 -0.0104 1494 GLU A OE2 
16   N N   . LYS A 6   ? 0.2644 0.5195 0.3826 0.0243  -0.0106 -0.1070 1495 LYS A N   
17   C CA  . LYS A 6   ? 0.2568 0.4567 0.3579 0.0091  -0.0025 -0.1030 1495 LYS A CA  
18   C C   . LYS A 6   ? 0.3025 0.3496 0.3332 0.0146  0.0014  -0.0875 1495 LYS A C   
19   O O   . LYS A 6   ? 0.3244 0.4276 0.3668 -0.0267 -0.0089 -0.1208 1495 LYS A O   
20   C CB  . LYS A 6   ? 0.2911 0.5308 0.4334 -0.0219 0.0076  -0.0721 1495 LYS A CB  
21   C CG  . LYS A 6   ? 0.3071 0.5504 0.4777 -0.0179 0.0307  -0.0910 1495 LYS A CG  
22   C CD  . LYS A 6   ? 0.3100 0.6025 0.5180 0.0058  0.0436  -0.0858 1495 LYS A CD  
23   C CE  . LYS A 6   ? 0.3205 0.6750 0.5512 0.0459  0.0180  -0.0820 1495 LYS A CE  
24   N NZ  . LYS A 6   ? 0.3868 0.7083 0.5662 0.0977  0.0110  -0.0892 1495 LYS A NZ  
39   N N   . ILE A 7   ? 0.2765 0.3346 0.2604 -0.0181 0.0217  -0.0324 1496 ILE A N   
40   C CA  . ILE A 7   ? 0.3018 0.2812 0.2206 -0.0147 0.0277  -0.0150 1496 ILE A CA  
41   C C   . ILE A 7   ? 0.3147 0.2475 0.2226 0.0128  0.0335  -0.0189 1496 ILE A C   
42   O O   . ILE A 7   ? 0.3200 0.2552 0.2537 0.0211  0.0181  -0.0007 1496 ILE A O   
43   C CB  . ILE A 7   ? 0.2939 0.2728 0.2035 0.0176  0.0073  -0.0223 1496 ILE A CB  
44   C CG1 . ILE A 7   ? 0.3427 0.2250 0.2367 0.0059  0.0413  0.0018  1496 ILE A CG1 
45   C CG2 . ILE A 7   ? 0.3252 0.3091 0.2226 0.0558  -0.0196 -0.0066 1496 ILE A CG2 
46   C CD1 . ILE A 7   ? 0.2933 0.2711 0.2439 0.0203  0.0487  -0.0088 1496 ILE A CD1 
58   N N   . ALA A 8   ? 0.2791 0.2602 0.2361 0.0020  0.0057  -0.0394 1497 ALA A N   
59   C CA  . ALA A 8   ? 0.3072 0.2303 0.2470 0.0284  0.0141  -0.0005 1497 ALA A CA  
60   C C   . ALA A 8   ? 0.3007 0.2485 0.2390 0.0463  0.0142  -0.0249 1497 ALA A C   
61   O O   . ALA A 8   ? 0.3014 0.2613 0.2512 0.0096  0.0003  0.0392  1497 ALA A O   
62   C CB  . ALA A 8   ? 0.3302 0.2741 0.2764 0.0222  -0.0098 0.0071  1497 ALA A CB  
68   N N   . ILE A 9   ? 0.3119 0.3055 0.2479 0.0498  -0.0181 -0.0134 1498 ILE A N   
69   C CA  . ILE A 9   ? 0.3099 0.2922 0.2553 0.0451  0.0036  -0.0005 1498 ILE A CA  
70   C C   . ILE A 9   ? 0.3480 0.2827 0.2446 0.0722  0.0110  0.0163  1498 ILE A C   
71   O O   . ILE A 9   ? 0.3199 0.3006 0.2539 0.0520  0.0218  0.0321  1498 ILE A O   
72   C CB  . ILE A 9   ? 0.3215 0.3211 0.2793 0.0568  0.0322  -0.0158 1498 ILE A CB  
73   C CG1 . ILE A 9   ? 0.4082 0.3563 0.2714 0.0581  0.0592  -0.0375 1498 ILE A CG1 
74   C CG2 . ILE A 9   ? 0.2894 0.3196 0.3368 0.0671  -0.0132 -0.0325 1498 ILE A CG2 
75   C CD1 . ILE A 9   ? 0.4027 0.4136 0.2822 0.0733  0.0604  -0.0560 1498 ILE A CD1 
87   N N   . ARG A 10  ? 0.3384 0.3053 0.2861 0.0864  -0.0302 -0.0053 1499 ARG A N   
88   C CA  . ARG A 10  ? 0.4083 0.3408 0.2902 0.1520  -0.0541 0.0087  1499 ARG A CA  
89   C C   . ARG A 10  ? 0.4828 0.3339 0.3137 0.1543  -0.0132 0.0117  1499 ARG A C   
90   O O   . ARG A 10  ? 0.5298 0.3104 0.3243 0.0869  -0.0155 -0.0049 1499 ARG A O   
91   C CB  . ARG A 10  ? 0.4369 0.3998 0.3071 0.1671  -0.0670 0.0346  1499 ARG A CB  
92   C CG  . ARG A 10  ? 0.5083 0.4592 0.2929 0.1813  -0.0609 0.0689  1499 ARG A CG  
93   C CD  . ARG A 10  ? 0.5909 0.5500 0.3340 0.1858  -0.0656 0.0517  1499 ARG A CD  
94   N NE  . ARG A 10  ? 0.6486 0.6109 0.3624 0.1839  -0.0984 0.0541  1499 ARG A NE  
95   C CZ  . ARG A 10  ? 0.6907 0.6973 0.4005 0.1798  -0.0874 0.0524  1499 ARG A CZ  
96   N NH1 . ARG A 10  ? 0.6711 0.6948 0.4104 0.2234  -0.1248 0.0446  1499 ARG A NH1 
97   N NH2 . ARG A 10  ? 0.7388 0.7431 0.4476 0.1301  -0.0550 0.0465  1499 ARG A NH2 
111  N N   . ASP A 11  ? 0.5497 0.3347 0.3356 0.1759  -0.0417 -0.0198 1500 ASP A N   
112  C CA  . ASP A 11  ? 0.6508 0.3449 0.3470 0.1718  -0.0301 0.0288  1500 ASP A CA  
113  C C   . ASP A 11  ? 0.5895 0.2785 0.3536 0.1545  -0.0048 0.0128  1500 ASP A C   
114  O O   . ASP A 11  ? 0.6491 0.2883 0.3626 0.0620  -0.0413 0.0445  1500 ASP A O   
115  C CB  . ASP A 11  ? 0.7876 0.4472 0.3779 0.2037  -0.0170 0.1021  1500 ASP A CB  
116  C CG  . ASP A 11  ? 0.9190 0.6365 0.4364 0.2046  0.0241  0.1177  1500 ASP A CG  
117  O OD1 . ASP A 11  ? 0.9487 0.7163 0.4770 0.2186  0.0190  0.1096  1500 ASP A OD1 
118  O OD2 . ASP A 11  ? 0.9609 0.6883 0.4585 0.2205  0.0183  0.1428  1500 ASP A OD2 
123  N N   . PHE A 12  ? 0.4929 0.2934 0.3174 0.1242  0.0087  -0.0034 1501 PHE A N   
124  C CA  . PHE A 12  ? 0.4003 0.2834 0.3062 0.0999  0.0013  0.0177  1501 PHE A CA  
125  C C   . PHE A 12  ? 0.4981 0.2664 0.3442 0.1064  -0.0271 -0.0181 1501 PHE A C   
126  O O   . PHE A 12  ? 0.5524 0.2737 0.3525 0.0738  -0.0466 -0.0017 1501 PHE A O   
127  C CB  . PHE A 12  ? 0.3579 0.2738 0.2891 0.0273  0.0240  0.0277  1501 PHE A CB  
128  C CG  . PHE A 12  ? 0.3313 0.2705 0.2915 0.0299  0.0145  0.0213  1501 PHE A CG  
129  C CD1 . PHE A 12  ? 0.3138 0.2697 0.2899 0.0413  -0.0118 0.0324  1501 PHE A CD1 
130  C CD2 . PHE A 12  ? 0.3174 0.3175 0.3033 0.0370  -0.0200 0.0083  1501 PHE A CD2 
131  C CE1 . PHE A 12  ? 0.3130 0.2821 0.2591 0.0564  0.0011  0.0141  1501 PHE A CE1 
132  C CE2 . PHE A 12  ? 0.3303 0.3124 0.2920 0.0361  -0.0500 0.0143  1501 PHE A CE2 
133  C CZ  . PHE A 12  ? 0.3283 0.2551 0.2697 0.0017  0.0076  0.0149  1501 PHE A CZ  
143  N N   . GLN A 13  ? 0.4944 0.2455 0.3538 0.0503  0.0139  -0.0208 1502 GLN A N   
144  C CA  . GLN A 13  ? 0.5592 0.2620 0.3469 0.0373  -0.0081 -0.0255 1502 GLN A CA  
145  C C   . GLN A 13  ? 0.5090 0.2235 0.3328 -0.0170 -0.0003 -0.0265 1502 GLN A C   
146  O O   . GLN A 13  ? 0.5327 0.2368 0.3067 0.0161  0.0443  -0.0208 1502 GLN A O   
147  C CB  . GLN A 13  ? 0.6710 0.3010 0.3584 0.0117  -0.0473 -0.0081 1502 GLN A CB  
148  C CG  . GLN A 13  ? 0.7850 0.4216 0.4109 0.0360  -0.0905 -0.0207 1502 GLN A CG  
149  C CD  . GLN A 13  ? 0.8700 0.5621 0.4613 0.0517  -0.1247 -0.0148 1502 GLN A CD  
150  O OE1 . GLN A 13  ? 0.9158 0.6175 0.4946 0.0433  -0.1185 -0.0127 1502 GLN A OE1 
151  N NE2 . GLN A 13  ? 0.8995 0.5420 0.4680 0.0768  -0.1497 -0.0514 1502 GLN A NE2 
160  N N   . VAL A 14  ? 0.4627 0.2841 0.3421 -0.0215 0.0178  -0.0359 1503 VAL A N   
161  C CA  . VAL A 14  ? 0.4800 0.2978 0.3513 -0.0037 0.0630  -0.0607 1503 VAL A CA  
162  C C   . VAL A 14  ? 0.4863 0.2590 0.3589 -0.0545 0.0684  -0.0763 1503 VAL A C   
163  O O   . VAL A 14  ? 0.5207 0.2975 0.3777 -0.1029 0.0431  -0.0423 1503 VAL A O   
164  C CB  . VAL A 14  ? 0.5016 0.3126 0.3463 -0.0124 0.0849  -0.0824 1503 VAL A CB  
165  C CG1 . VAL A 14  ? 0.5448 0.3892 0.3361 -0.0365 0.0605  -0.1206 1503 VAL A CG1 
166  C CG2 . VAL A 14  ? 0.5506 0.3460 0.3770 0.0630  0.0752  -0.1239 1503 VAL A CG2 
176  N N   . GLY A 15  ? 0.5067 0.2732 0.3637 -0.0634 0.0589  -0.1050 1504 GLY A N   
177  C CA  . GLY A 15  ? 0.5195 0.2789 0.3762 -0.0762 0.0393  -0.1015 1504 GLY A CA  
178  C C   . GLY A 15  ? 0.4877 0.3129 0.3729 -0.0652 0.0405  -0.0903 1504 GLY A C   
179  O O   . GLY A 15  ? 0.4802 0.3402 0.4275 -0.0675 0.0390  -0.1293 1504 GLY A O   
183  N N   . ASP A 16  ? 0.4393 0.2599 0.3208 -0.0568 0.0770  -0.0274 1505 ASP A N   
184  C CA  . ASP A 16  ? 0.3803 0.2507 0.3076 -0.0090 0.0535  -0.0357 1505 ASP A CA  
185  C C   . ASP A 16  ? 0.3411 0.2873 0.2788 -0.0579 0.0246  -0.0550 1505 ASP A C   
186  O O   . ASP A 16  ? 0.3531 0.2683 0.2735 -0.0184 0.0154  -0.0267 1505 ASP A O   
187  C CB  . ASP A 16  ? 0.3938 0.2704 0.3041 0.0080  0.0200  -0.0027 1505 ASP A CB  
188  C CG  . ASP A 16  ? 0.3943 0.2883 0.3227 -0.0280 0.0175  -0.0203 1505 ASP A CG  
189  O OD1 . ASP A 16  ? 0.4648 0.3784 0.3717 -0.0165 0.0311  -0.0050 1505 ASP A OD1 
190  O OD2 . ASP A 16  ? 0.4235 0.3212 0.3647 0.0155  0.0227  -0.0409 1505 ASP A OD2 
195  N N   . LEU A 17  ? 0.3528 0.2828 0.2958 -0.0146 0.0288  -0.0706 1506 LEU A N   
196  C CA  . LEU A 17  ? 0.3113 0.3052 0.2721 -0.0269 0.0044  -0.0661 1506 LEU A CA  
197  C C   . LEU A 17  ? 0.3218 0.2936 0.2595 0.0110  -0.0222 -0.0607 1506 LEU A C   
198  O O   . LEU A 17  ? 0.3473 0.2992 0.2487 -0.0069 0.0026  -0.0467 1506 LEU A O   
199  C CB  . LEU A 17  ? 0.3614 0.3641 0.3025 0.0136  0.0055  -0.0448 1506 LEU A CB  
200  C CG  . LEU A 17  ? 0.3629 0.4213 0.3132 0.0002  -0.0089 -0.0555 1506 LEU A CG  
201  C CD1 . LEU A 17  ? 0.3551 0.4704 0.3291 0.0643  -0.0427 -0.0256 1506 LEU A CD1 
202  C CD2 . LEU A 17  ? 0.4020 0.4536 0.3293 0.0328  0.0106  -0.0748 1506 LEU A CD2 
214  N N   . VAL A 18  ? 0.3332 0.2738 0.2357 -0.0112 -0.0363 -0.0361 1507 VAL A N   
215  C CA  . VAL A 18  ? 0.3230 0.2569 0.2453 -0.0143 -0.0535 -0.0268 1507 VAL A CA  
216  C C   . VAL A 18  ? 0.3058 0.2274 0.2271 0.0384  -0.0382 0.0083  1507 VAL A C   
217  O O   . VAL A 18  ? 0.3560 0.2352 0.2434 0.0218  -0.0501 -0.0009 1507 VAL A O   
218  C CB  . VAL A 18  ? 0.3438 0.2633 0.2401 -0.0010 -0.0292 -0.0158 1507 VAL A CB  
219  C CG1 . VAL A 18  ? 0.3622 0.2456 0.2541 0.0063  -0.0182 0.0121  1507 VAL A CG1 
220  C CG2 . VAL A 18  ? 0.3434 0.2620 0.2473 0.0011  -0.0217 -0.0261 1507 VAL A CG2 
230  N N   . LEU A 19  ? 0.3215 0.2299 0.2332 -0.0088 -0.0491 -0.0042 1508 LEU A N   
231  C CA  . LEU A 19  ? 0.3097 0.2231 0.2523 0.0233  -0.0277 -0.0239 1508 LEU A CA  
232  C C   . LEU A 19  ? 0.3141 0.2428 0.2382 0.0363  -0.0325 0.0043  1508 LEU A C   
233  O O   . LEU A 19  ? 0.3127 0.2735 0.2531 0.0049  -0.0262 0.0265  1508 LEU A O   
234  C CB  . LEU A 19  ? 0.3394 0.2358 0.2675 0.0319  -0.0240 -0.0164 1508 LEU A CB  
235  C CG  . LEU A 19  ? 0.3569 0.2377 0.2540 0.0371  0.0312  -0.0046 1508 LEU A CG  
236  C CD1 . LEU A 19  ? 0.4885 0.2711 0.2442 0.1213  -0.0308 0.0055  1508 LEU A CD1 
237  C CD2 . LEU A 19  ? 0.4106 0.2507 0.2963 0.0353  0.0214  -0.0711 1508 LEU A CD2 
249  N N   . ILE A 20  ? 0.3177 0.2623 0.2449 0.0254  -0.0474 0.0311  1509 ILE A N   
250  C CA  . ILE A 20  ? 0.3328 0.2467 0.2609 0.0515  -0.0282 0.0241  1509 ILE A CA  
251  C C   . ILE A 20  ? 0.3774 0.2506 0.2834 0.0561  -0.0426 0.0210  1509 ILE A C   
252  O O   . ILE A 20  ? 0.3952 0.2781 0.3057 0.0270  -0.0504 0.0392  1509 ILE A O   
253  C CB  . ILE A 20  ? 0.3625 0.2805 0.2743 0.0231  0.0000  0.0071  1509 ILE A CB  
254  C CG1 . ILE A 20  ? 0.3816 0.3068 0.2855 -0.0175 0.0294  0.0008  1509 ILE A CG1 
255  C CG2 . ILE A 20  ? 0.3771 0.3384 0.2809 -0.0124 -0.0011 -0.0237 1509 ILE A CG2 
256  C CD1 . ILE A 20  ? 0.4474 0.3963 0.3632 -0.0339 0.0022  0.0008  1509 ILE A CD1 
268  N N   . ILE A 21  ? 0.3729 0.2512 0.2649 0.0499  -0.0212 0.0082  1510 ILE A N   
269  C CA  . ILE A 21  ? 0.4372 0.2522 0.2853 0.0375  -0.0259 -0.0011 1510 ILE A CA  
270  C C   . ILE A 21  ? 0.4459 0.2070 0.3100 0.0272  -0.0229 0.0116  1510 ILE A C   
271  O O   . ILE A 21  ? 0.3966 0.2461 0.2985 0.0101  -0.0045 0.0065  1510 ILE A O   
272  C CB  . ILE A 21  ? 0.4221 0.3168 0.2979 0.0307  -0.0199 0.0102  1510 ILE A CB  
273  C CG1 . ILE A 21  ? 0.4437 0.3128 0.3036 0.0549  -0.0316 -0.0127 1510 ILE A CG1 
274  C CG2 . ILE A 21  ? 0.4628 0.3173 0.3050 0.0555  0.0127  0.0145  1510 ILE A CG2 
275  C CD1 . ILE A 21  ? 0.4708 0.3577 0.3061 -0.0184 -0.0045 -0.0084 1510 ILE A CD1 
287  N N   . LEU A 22  ? 0.4567 0.2297 0.3169 -0.0006 -0.0102 0.0176  1511 LEU A N   
288  C CA  . LEU A 22  ? 0.4783 0.2694 0.3626 -0.0406 -0.0074 0.0511  1511 LEU A CA  
289  C C   . LEU A 22  ? 0.4888 0.3258 0.4057 -0.0611 0.0001  0.0271  1511 LEU A C   
290  O O   . LEU A 22  ? 0.5569 0.3655 0.4039 -0.0032 -0.0174 -0.0232 1511 LEU A O   
291  C CB  . LEU A 22  ? 0.5754 0.3056 0.4143 -0.0630 0.0139  0.0504  1511 LEU A CB  
292  C CG  . LEU A 22  ? 0.6179 0.3057 0.4564 -0.0611 0.0479  0.0477  1511 LEU A CG  
293  C CD1 . LEU A 22  ? 0.6401 0.3487 0.4561 -0.0933 0.0675  0.0183  1511 LEU A CD1 
294  C CD2 . LEU A 22  ? 0.6378 0.3235 0.4872 -0.0596 0.0514  0.0907  1511 LEU A CD2 
306  N N   . ASP A 23  ? 0.4802 0.3470 0.4587 -0.0900 -0.0083 0.0554  1512 ASP A N   
307  C CA  . ASP A 23  ? 0.5202 0.4159 0.5174 -0.1344 -0.0182 0.0746  1512 ASP A CA  
308  C C   . ASP A 23  ? 0.5924 0.5342 0.5923 -0.2099 -0.0056 0.0914  1512 ASP A C   
309  O O   . ASP A 23  ? 0.5932 0.5717 0.5679 -0.1947 0.0070  0.1241  1512 ASP A O   
310  C CB  . ASP A 23  ? 0.4833 0.4117 0.5197 -0.1166 -0.0521 0.0525  1512 ASP A CB  
311  C CG  . ASP A 23  ? 0.5072 0.4802 0.5299 -0.1048 -0.0359 0.0275  1512 ASP A CG  
312  O OD1 . ASP A 23  ? 0.5527 0.5162 0.5519 -0.1231 -0.0219 0.0143  1512 ASP A OD1 
313  O OD2 . ASP A 23  ? 0.4918 0.5285 0.5059 -0.0693 -0.0430 0.0179  1512 ASP A OD2 
318  N N   . GLU A 24  ? 0.6701 0.6305 0.6991 -0.2553 -0.0217 0.0948  1513 GLU A N   
319  C CA  . GLU A 24  ? 0.7385 0.7415 0.7937 -0.2853 -0.0190 0.0954  1513 GLU A CA  
320  C C   . GLU A 24  ? 0.6691 0.6924 0.7776 -0.3066 -0.0355 0.0848  1513 GLU A C   
321  O O   . GLU A 24  ? 0.6830 0.6982 0.7942 -0.2751 -0.0461 0.0848  1513 GLU A O   
325  N N   . ARG A 25  ? 0.6243 0.6734 0.7430 -0.3032 -0.0389 0.0723  1514 ARG A N   
326  C CA  . ARG A 25  ? 0.6265 0.6861 0.7008 -0.2461 -0.0338 0.0797  1514 ARG A CA  
327  C C   . ARG A 25  ? 0.5656 0.6954 0.6848 -0.2246 -0.0341 0.0933  1514 ARG A C   
328  O O   . ARG A 25  ? 0.5792 0.7294 0.6967 -0.2026 -0.0381 0.0712  1514 ARG A O   
332  N N   . HIS A 26  ? 0.5036 0.6636 0.6489 -0.2171 -0.0476 0.1480  1515 HIS A N   
333  C CA  . HIS A 26  ? 0.4701 0.6674 0.6236 -0.1651 -0.0359 0.1880  1515 HIS A CA  
334  C C   . HIS A 26  ? 0.4986 0.7143 0.6177 -0.1490 -0.0211 0.1972  1515 HIS A C   
335  O O   . HIS A 26  ? 0.4678 0.7418 0.5948 -0.1068 -0.0223 0.1950  1515 HIS A O   
336  C CB  . HIS A 26  ? 0.4341 0.6324 0.6097 -0.1381 -0.0368 0.1861  1515 HIS A CB  
337  C CG  . HIS A 26  ? 0.4417 0.6161 0.5938 -0.0906 -0.0543 0.1747  1515 HIS A CG  
338  N ND1 . HIS A 26  ? 0.4425 0.6213 0.5900 -0.0421 -0.0731 0.1611  1515 HIS A ND1 
339  C CD2 . HIS A 26  ? 0.4467 0.6176 0.5868 -0.0689 -0.0642 0.1669  1515 HIS A CD2 
340  C CE1 . HIS A 26  ? 0.4697 0.6355 0.5925 -0.0463 -0.0642 0.1606  1515 HIS A CE1 
341  N NE2 . HIS A 26  ? 0.4701 0.6423 0.5905 -0.0365 -0.0844 0.1560  1515 HIS A NE2 
349  N N   . ASP A 27  ? 0.5386 0.6877 0.6234 -0.2005 0.0129  0.2161  1516 ASP A N   
350  C CA  . ASP A 27  ? 0.5927 0.7132 0.6227 -0.1990 0.0533  0.2085  1516 ASP A CA  
351  C C   . ASP A 27  ? 0.5629 0.6983 0.5736 -0.1901 0.0683  0.2109  1516 ASP A C   
352  O O   . ASP A 27  ? 0.5294 0.7476 0.5748 -0.1998 0.0917  0.2404  1516 ASP A O   
353  C CB  . ASP A 27  ? 0.6901 0.7491 0.6620 -0.1648 0.0809  0.2113  1516 ASP A CB  
354  C CG  . ASP A 27  ? 0.7735 0.7848 0.7049 -0.1254 0.0850  0.1803  1516 ASP A CG  
355  O OD1 . ASP A 27  ? 0.7982 0.8009 0.7287 -0.1282 0.0896  0.1739  1516 ASP A OD1 
356  O OD2 . ASP A 27  ? 0.8063 0.7801 0.7125 -0.1131 0.0925  0.1709  1516 ASP A OD2 
361  N N   . ASN A 28  ? 0.5526 0.6034 0.5251 -0.1629 0.0689  0.1797  1517 ASN A N   
362  C CA  . ASN A 28  ? 0.5291 0.5457 0.4467 -0.1006 0.0848  0.1494  1517 ASN A CA  
363  C C   . ASN A 28  ? 0.4284 0.4290 0.3864 -0.0748 0.0584  0.1050  1517 ASN A C   
364  O O   . ASN A 28  ? 0.4391 0.3906 0.4286 -0.0673 0.0201  0.0454  1517 ASN A O   
365  C CB  . ASN A 28  ? 0.6210 0.6503 0.4559 -0.0514 0.1088  0.1450  1517 ASN A CB  
366  C CG  . ASN A 28  ? 0.7009 0.7349 0.4610 -0.0276 0.1277  0.1262  1517 ASN A CG  
367  O OD1 . ASN A 28  ? 0.7236 0.7640 0.4592 -0.0188 0.1298  0.0988  1517 ASN A OD1 
368  N ND2 . ASN A 28  ? 0.7296 0.7460 0.4589 -0.0260 0.1431  0.1405  1517 ASN A ND2 
375  N N   . TYR A 29  ? 0.3868 0.3732 0.3381 -0.0489 0.0254  0.0733  1518 TYR A N   
376  C CA  . TYR A 29  ? 0.3790 0.2800 0.2757 -0.0627 -0.0062 0.0408  1518 TYR A CA  
377  C C   . TYR A 29  ? 0.3959 0.2436 0.2761 -0.0262 0.0085  0.0009  1518 TYR A C   
378  O O   . TYR A 29  ? 0.3844 0.2713 0.2843 -0.0061 0.0289  0.0200  1518 TYR A O   
379  C CB  . TYR A 29  ? 0.4239 0.2974 0.2803 -0.0361 -0.0214 0.0412  1518 TYR A CB  
380  C CG  . TYR A 29  ? 0.4498 0.2677 0.3077 -0.0193 -0.0262 0.0282  1518 TYR A CG  
381  C CD1 . TYR A 29  ? 0.4561 0.2692 0.3102 -0.0007 -0.0111 0.0402  1518 TYR A CD1 
382  C CD2 . TYR A 29  ? 0.4703 0.3216 0.3192 -0.0003 -0.0304 0.0604  1518 TYR A CD2 
383  C CE1 . TYR A 29  ? 0.4732 0.2666 0.3224 -0.0213 -0.0172 0.0681  1518 TYR A CE1 
384  C CE2 . TYR A 29  ? 0.4925 0.3267 0.3583 0.0105  -0.0258 0.0918  1518 TYR A CE2 
385  C CZ  . TYR A 29  ? 0.5011 0.2726 0.3519 -0.0106 -0.0102 0.1176  1518 TYR A CZ  
386  O OH  . TYR A 29  ? 0.5743 0.3312 0.4050 -0.0023 0.0014  0.1220  1518 TYR A OH  
396  N N   . VAL A 30  ? 0.3709 0.2498 0.2530 0.0298  -0.0059 0.0172  1519 VAL A N   
397  C CA  . VAL A 30  ? 0.3351 0.2642 0.2490 0.0630  -0.0081 -0.0176 1519 VAL A CA  
398  C C   . VAL A 30  ? 0.3551 0.2253 0.2584 0.0432  -0.0080 -0.0520 1519 VAL A C   
399  O O   . VAL A 30  ? 0.3551 0.2365 0.2716 0.0265  0.0162  0.0013  1519 VAL A O   
400  C CB  . VAL A 30  ? 0.3235 0.2816 0.2602 0.0358  -0.0108 -0.0191 1519 VAL A CB  
401  C CG1 . VAL A 30  ? 0.3404 0.3450 0.3084 0.0291  -0.0137 -0.0435 1519 VAL A CG1 
402  C CG2 . VAL A 30  ? 0.3327 0.2987 0.2608 -0.0040 -0.0053 -0.0216 1519 VAL A CG2 
412  N N   . LEU A 31  ? 0.3158 0.2388 0.2573 0.0601  -0.0086 -0.0031 1520 LEU A N   
413  C CA  . LEU A 31  ? 0.2885 0.2734 0.2585 0.0465  0.0096  0.0006  1520 LEU A CA  
414  C C   . LEU A 31  ? 0.3032 0.2593 0.2550 0.0828  -0.0173 0.0036  1520 LEU A C   
415  O O   . LEU A 31  ? 0.3242 0.3138 0.2659 0.0952  -0.0151 0.0050  1520 LEU A O   
416  C CB  . LEU A 31  ? 0.3261 0.2654 0.2651 0.0393  0.0247  -0.0140 1520 LEU A CB  
417  C CG  . LEU A 31  ? 0.4726 0.2455 0.2586 -0.0030 0.0192  -0.0025 1520 LEU A CG  
418  C CD1 . LEU A 31  ? 0.5488 0.3865 0.2613 -0.0980 -0.0141 0.0078  1520 LEU A CD1 
419  C CD2 . LEU A 31  ? 0.4294 0.2562 0.3124 0.0090  0.0060  0.0319  1520 LEU A CD2 
431  N N   . PHE A 32  ? 0.2949 0.2468 0.2379 0.0377  -0.0177 0.0154  1521 PHE A N   
432  C CA  . PHE A 32  ? 0.2764 0.2819 0.2257 0.0521  -0.0135 0.0056  1521 PHE A CA  
433  C C   . PHE A 32  ? 0.2909 0.2664 0.2174 0.0253  -0.0169 0.0218  1521 PHE A C   
434  O O   . PHE A 32  ? 0.2903 0.2680 0.2345 0.0355  0.0061  -0.0008 1521 PHE A O   
435  C CB  . PHE A 32  ? 0.3039 0.2475 0.2493 0.0282  -0.0091 0.0093  1521 PHE A CB  
436  C CG  . PHE A 32  ? 0.2848 0.2921 0.2259 0.0148  0.0062  -0.0278 1521 PHE A CG  
437  C CD1 . PHE A 32  ? 0.3537 0.3013 0.2270 0.0095  0.0136  -0.0352 1521 PHE A CD1 
438  C CD2 . PHE A 32  ? 0.2943 0.3131 0.2276 0.0228  0.0054  -0.0217 1521 PHE A CD2 
439  C CE1 . PHE A 32  ? 0.4074 0.3274 0.2300 -0.0426 0.0305  -0.0413 1521 PHE A CE1 
440  C CE2 . PHE A 32  ? 0.3414 0.3245 0.2527 -0.0151 -0.0561 -0.0130 1521 PHE A CE2 
441  C CZ  . PHE A 32  ? 0.3785 0.3046 0.2284 -0.0264 -0.0096 -0.0454 1521 PHE A CZ  
451  N N   . THR A 33  ? 0.2808 0.2917 0.1962 0.0210  -0.0247 0.0146  1522 THR A N   
452  C CA  . THR A 33  ? 0.3111 0.3058 0.2032 0.0607  -0.0189 0.0069  1522 THR A CA  
453  C C   . THR A 33  ? 0.2817 0.3451 0.2288 0.0461  -0.0359 0.0180  1522 THR A C   
454  O O   . THR A 33  ? 0.3206 0.3771 0.2639 0.0446  -0.0482 -0.0084 1522 THR A O   
455  C CB  . THR A 33  ? 0.2507 0.3371 0.2538 0.0728  0.0164  0.0213  1522 THR A CB  
456  O OG1 . THR A 33  ? 0.3073 0.3660 0.2585 0.0560  -0.0091 0.0477  1522 THR A OG1 
457  C CG2 . THR A 33  ? 0.3055 0.3960 0.2438 0.0440  0.0274  0.0199  1522 THR A CG2 
465  N N   . VAL A 34  ? 0.2880 0.3581 0.2162 0.0326  -0.0184 0.0184  1523 VAL A N   
466  C CA  . VAL A 34  ? 0.3119 0.4500 0.2454 0.0559  -0.0306 0.0319  1523 VAL A CA  
467  C C   . VAL A 34  ? 0.3306 0.5356 0.2871 0.0429  -0.0294 0.0457  1523 VAL A C   
468  O O   . VAL A 34  ? 0.4152 0.5952 0.3540 0.1141  -0.0952 0.0325  1523 VAL A O   
469  C CB  . VAL A 34  ? 0.3283 0.4324 0.2657 0.0755  -0.0258 0.0017  1523 VAL A CB  
470  C CG1 . VAL A 34  ? 0.3644 0.4250 0.3023 0.0595  0.0090  -0.0451 1523 VAL A CG1 
471  C CG2 . VAL A 34  ? 0.3588 0.4567 0.2817 0.0964  0.0258  0.0440  1523 VAL A CG2 
481  N N   . SER A 35  ? 0.3261 0.4704 0.3018 0.1335  0.0018  0.0524  1524 SER A N   
482  C CA  . SER A 35  ? 0.3318 0.4981 0.3199 0.1200  0.0106  0.0719  1524 SER A CA  
483  C C   . SER A 35  ? 0.3043 0.5568 0.3010 0.1275  -0.0248 0.0265  1524 SER A C   
484  O O   . SER A 35  ? 0.3011 0.5575 0.3154 0.1008  -0.0541 0.0254  1524 SER A O   
485  C CB  . SER A 35  ? 0.3839 0.4622 0.4199 0.1500  -0.0196 0.0122  1524 SER A CB  
486  O OG  . SER A 35  ? 0.3765 0.4566 0.5001 0.1530  -0.0748 -0.0187 1524 SER A OG  
492  N N   . PRO A 36  ? 0.3314 0.6164 0.2731 0.1166  -0.0393 -0.0019 1525 PRO A N   
493  C CA  . PRO A 36  ? 0.2894 0.6165 0.3019 0.1585  -0.0328 -0.0025 1525 PRO A CA  
494  C C   . PRO A 36  ? 0.3074 0.5852 0.2923 0.1555  -0.0309 0.0212  1525 PRO A C   
495  O O   . PRO A 36  ? 0.3761 0.6180 0.3626 0.0664  0.0239  0.0038  1525 PRO A O   
496  C CB  . PRO A 36  ? 0.3459 0.6726 0.3426 0.1327  -0.0629 0.0322  1525 PRO A CB  
497  C CG  . PRO A 36  ? 0.3599 0.6941 0.3258 0.1666  -0.0445 0.0387  1525 PRO A CG  
498  C CD  . PRO A 36  ? 0.3293 0.6759 0.3037 0.1880  -0.0315 0.0272  1525 PRO A CD  
506  N N   . THR A 37  ? 0.3465 0.5373 0.2804 0.1624  0.0270  0.0104  1526 THR A N   
507  C CA  . THR A 37  ? 0.3861 0.5130 0.2987 0.1983  -0.0087 0.0167  1526 THR A CA  
508  C C   . THR A 37  ? 0.3382 0.5075 0.2855 0.1291  -0.0019 0.0237  1526 THR A C   
509  O O   . THR A 37  ? 0.3490 0.4859 0.2869 0.1302  0.0343  0.0347  1526 THR A O   
510  C CB  . THR A 37  ? 0.5156 0.4688 0.3693 0.2874  -0.0377 0.0178  1526 THR A CB  
511  O OG1 . THR A 37  ? 0.6089 0.5252 0.4188 0.2603  -0.0694 0.0415  1526 THR A OG1 
512  C CG2 . THR A 37  ? 0.5698 0.4894 0.3808 0.2231  -0.0554 0.0038  1526 THR A CG2 
520  N N   . LEU A 38  ? 0.3467 0.4605 0.2701 0.0956  0.0023  0.0307  1527 LEU A N   
521  C CA  . LEU A 38  ? 0.2846 0.4327 0.2863 0.0599  0.0199  0.0154  1527 LEU A CA  
522  C C   . LEU A 38  ? 0.3253 0.3468 0.2797 0.0791  0.0340  0.0254  1527 LEU A C   
523  O O   . LEU A 38  ? 0.3368 0.3799 0.3375 0.0930  0.0256  0.0189  1527 LEU A O   
524  C CB  . LEU A 38  ? 0.3734 0.4493 0.3446 0.0030  0.0393  -0.0301 1527 LEU A CB  
525  C CG  . LEU A 38  ? 0.3654 0.4997 0.3697 -0.0484 0.0333  -0.0583 1527 LEU A CG  
526  C CD1 . LEU A 38  ? 0.4019 0.5215 0.3908 -0.0939 0.0319  -0.0526 1527 LEU A CD1 
527  C CD2 . LEU A 38  ? 0.3846 0.5116 0.3790 -0.0804 0.0517  -0.0631 1527 LEU A CD2 
539  N N   A TYR A 39  ? 0.3454 0.3114 0.2700 0.0472  -0.0023 0.0418  1528 TYR A N   
540  N N   B TYR A 39  ? 0.3340 0.3068 0.2703 0.0535  -0.0017 0.0298  1528 TYR A N   
541  C CA  A TYR A 39  ? 0.3272 0.3120 0.2766 0.0408  0.0306  0.0344  1528 TYR A CA  
542  C CA  B TYR A 39  ? 0.3048 0.2908 0.2685 0.0449  0.0047  0.0294  1528 TYR A CA  
543  C C   A TYR A 39  ? 0.3197 0.2827 0.2702 0.0645  0.0271  0.0009  1528 TYR A C   
544  C C   B TYR A 39  ? 0.3102 0.2876 0.2654 0.0562  0.0215  0.0133  1528 TYR A C   
545  O O   A TYR A 39  ? 0.3305 0.2784 0.2591 0.0451  0.0187  0.0108  1528 TYR A O   
546  O O   B TYR A 39  ? 0.3131 0.3026 0.2537 0.0402  0.0267  0.0172  1528 TYR A O   
547  C CB  A TYR A 39  ? 0.3351 0.3682 0.2992 0.0618  0.0820  0.0331  1528 TYR A CB  
548  C CB  B TYR A 39  ? 0.2886 0.2895 0.2762 0.0511  0.0015  0.0271  1528 TYR A CB  
549  C CG  A TYR A 39  ? 0.3407 0.3888 0.3155 0.0924  0.0854  0.0751  1528 TYR A CG  
550  C CG  B TYR A 39  ? 0.2750 0.2811 0.2680 0.0618  -0.0104 0.0370  1528 TYR A CG  
551  C CD1 A TYR A 39  ? 0.3460 0.3584 0.3246 0.0842  0.1061  0.0945  1528 TYR A CD1 
552  C CD1 B TYR A 39  ? 0.2782 0.2694 0.2707 0.0584  0.0141  0.0528  1528 TYR A CD1 
553  C CD2 A TYR A 39  ? 0.3379 0.3909 0.3332 0.0886  0.0782  0.1024  1528 TYR A CD2 
554  C CD2 B TYR A 39  ? 0.2753 0.2607 0.2769 0.0823  -0.0094 0.0181  1528 TYR A CD2 
555  C CE1 A TYR A 39  ? 0.4089 0.3901 0.3376 0.1188  0.0772  0.0787  1528 TYR A CE1 
556  C CE1 B TYR A 39  ? 0.2769 0.2573 0.2712 0.0428  0.0402  0.0306  1528 TYR A CE1 
557  C CE2 A TYR A 39  ? 0.3550 0.4165 0.3548 0.0924  0.0731  0.1223  1528 TYR A CE2 
558  C CE2 B TYR A 39  ? 0.2975 0.2605 0.2619 0.0640  0.0274  0.0060  1528 TYR A CE2 
559  C CZ  A TYR A 39  ? 0.4046 0.4167 0.3619 0.1023  0.0713  0.1181  1528 TYR A CZ  
560  C CZ  B TYR A 39  ? 0.2725 0.2528 0.2836 0.0699  0.0331  0.0234  1528 TYR A CZ  
561  O OH  A TYR A 39  ? 0.4389 0.4358 0.3862 0.1147  0.0632  0.1533  1528 TYR A OH  
562  O OH  B TYR A 39  ? 0.2992 0.2449 0.3120 0.0676  0.0344  0.0351  1528 TYR A OH  
581  N N   . PHE A 40  ? 0.3282 0.2943 0.2696 0.0494  0.0427  0.0131  1529 PHE A N   
582  C CA  . PHE A 40  ? 0.3389 0.2626 0.2829 0.0206  0.0409  0.0262  1529 PHE A CA  
583  C C   . PHE A 40  ? 0.3835 0.2492 0.2970 0.0344  0.0075  -0.0127 1529 PHE A C   
584  O O   . PHE A 40  ? 0.4169 0.2802 0.3294 0.0428  0.0326  -0.0068 1529 PHE A O   
585  C CB  . PHE A 40  ? 0.3502 0.2839 0.3040 0.0183  0.0827  0.0234  1529 PHE A CB  
586  C CG  . PHE A 40  ? 0.3358 0.3361 0.3224 -0.0112 0.0462  0.0168  1529 PHE A CG  
587  C CD1 . PHE A 40  ? 0.3530 0.3989 0.3761 -0.0194 0.0238  0.0094  1529 PHE A CD1 
588  C CD2 . PHE A 40  ? 0.3437 0.3558 0.3389 -0.0152 0.0535  0.0332  1529 PHE A CD2 
589  C CE1 . PHE A 40  ? 0.3864 0.4354 0.3778 -0.0124 -0.0192 0.0139  1529 PHE A CE1 
590  C CE2 . PHE A 40  ? 0.3493 0.4021 0.3401 -0.0194 0.0723  0.0328  1529 PHE A CE2 
591  C CZ  . PHE A 40  ? 0.3377 0.4175 0.3559 -0.0207 0.0273  0.0427  1529 PHE A CZ  
602  N N   . LEU A 41  ? 0.3978 0.2566 0.2678 -0.0241 0.0074  -0.0049 1530 LEU A N   
603  C CA  . LEU A 41  ? 0.4166 0.2974 0.2728 -0.0276 0.0175  -0.0070 1530 LEU A CA  
604  C C   . LEU A 41  ? 0.4409 0.2966 0.2905 -0.0218 0.0191  -0.0283 1530 LEU A C   
605  O O   . LEU A 41  ? 0.4560 0.3623 0.3153 -0.0525 0.0520  -0.0199 1530 LEU A O   
606  C CB  . LEU A 41  ? 0.4188 0.2956 0.2680 -0.0062 -0.0097 -0.0011 1530 LEU A CB  
607  C CG  . LEU A 41  ? 0.4376 0.3002 0.2553 0.0075  0.0073  0.0172  1530 LEU A CG  
608  C CD1 . LEU A 41  ? 0.4248 0.3209 0.2833 -0.0363 -0.0181 -0.0080 1530 LEU A CD1 
609  C CD2 . LEU A 41  ? 0.4560 0.3534 0.2819 0.0284  -0.0560 -0.0091 1530 LEU A CD2 
621  N N   . HIS A 42  ? 0.4433 0.2844 0.2928 -0.0313 0.0225  -0.0125 1531 HIS A N   
622  C CA  . HIS A 42  ? 0.4757 0.3392 0.3066 0.0056  0.0670  -0.0441 1531 HIS A CA  
623  C C   . HIS A 42  ? 0.5049 0.3386 0.2893 -0.0052 0.0878  -0.0354 1531 HIS A C   
624  O O   . HIS A 42  ? 0.5121 0.3889 0.2845 -0.0352 0.0767  -0.0103 1531 HIS A O   
625  C CB  . HIS A 42  ? 0.5011 0.3585 0.3354 0.0139  0.0738  -0.0507 1531 HIS A CB  
626  C CG  . HIS A 42  ? 0.5459 0.3818 0.3586 0.0084  0.1294  -0.0644 1531 HIS A CG  
627  N ND1 . HIS A 42  ? 0.5860 0.4154 0.3877 0.0349  0.1428  -0.0600 1531 HIS A ND1 
628  C CD2 . HIS A 42  ? 0.5900 0.3920 0.3706 0.0185  0.1175  -0.0862 1531 HIS A CD2 
629  C CE1 . HIS A 42  ? 0.5924 0.4414 0.3861 0.0284  0.1500  -0.0508 1531 HIS A CE1 
630  N NE2 . HIS A 42  ? 0.6163 0.4532 0.3768 0.0278  0.1296  -0.0577 1531 HIS A NE2 
638  N N   . SER A 43  ? 0.5537 0.4070 0.2975 -0.0071 0.0943  -0.0168 1532 SER A N   
639  C CA  . SER A 43  ? 0.5796 0.4659 0.3114 -0.0443 0.0942  0.0076  1532 SER A CA  
640  C C   . SER A 43  ? 0.5733 0.5014 0.3153 -0.0318 0.1061  0.0112  1532 SER A C   
641  O O   . SER A 43  ? 0.5659 0.5225 0.3109 -0.0246 0.0756  -0.0147 1532 SER A O   
642  C CB  . SER A 43  ? 0.6457 0.5531 0.4054 -0.0867 0.1157  0.0132  1532 SER A CB  
643  O OG  . SER A 43  ? 0.6829 0.5835 0.4454 -0.1122 0.1576  -0.0127 1532 SER A OG  
649  N N   . GLU A 44  ? 0.5812 0.5014 0.3383 -0.0454 0.0731  0.0247  1533 GLU A N   
650  C CA  . GLU A 44  ? 0.5844 0.5153 0.3990 -0.0928 0.0210  0.0655  1533 GLU A CA  
651  C C   . GLU A 44  ? 0.5911 0.4794 0.3247 -0.0896 -0.0225 0.0329  1533 GLU A C   
652  O O   . GLU A 44  ? 0.5815 0.4821 0.3573 -0.1128 -0.0256 0.0648  1533 GLU A O   
656  N N   . SER A 45  ? 0.5800 0.4242 0.2663 -0.0570 -0.0204 0.0004  1534 SER A N   
657  C CA  . SER A 45  ? 0.5840 0.3758 0.2478 -0.0984 -0.0258 0.0287  1534 SER A CA  
658  C C   . SER A 45  ? 0.6150 0.3692 0.2793 -0.0979 -0.0446 0.0584  1534 SER A C   
659  O O   . SER A 45  ? 0.6195 0.4160 0.3172 -0.0840 -0.0159 0.0784  1534 SER A O   
660  C CB  . SER A 45  ? 0.5465 0.4020 0.2598 -0.0944 -0.0169 0.0440  1534 SER A CB  
661  O OG  . SER A 45  ? 0.5035 0.4169 0.2753 -0.0680 0.0043  0.0520  1534 SER A OG  
668  N N   A LEU A 46  ? 0.6531 0.3624 0.2794 -0.0965 -0.0527 0.0686  1535 LEU A N   
669  N N   B LEU A 46  ? 0.6603 0.3524 0.2814 -0.0842 -0.0578 0.0863  1535 LEU A N   
670  C CA  A LEU A 46  ? 0.6693 0.3717 0.2988 -0.1177 -0.0461 0.0636  1535 LEU A CA  
671  C CA  B LEU A 46  ? 0.6763 0.3736 0.3130 -0.1051 -0.0372 0.0698  1535 LEU A CA  
672  C C   A LEU A 46  ? 0.7029 0.3893 0.3113 -0.0831 -0.0464 0.0541  1535 LEU A C   
673  C C   B LEU A 46  ? 0.7054 0.3930 0.3239 -0.0834 -0.0425 0.0417  1535 LEU A C   
674  O O   A LEU A 46  ? 0.7051 0.3902 0.3037 -0.0652 -0.0511 0.0582  1535 LEU A O   
675  O O   B LEU A 46  ? 0.7020 0.3881 0.3227 -0.0853 -0.0552 0.0171  1535 LEU A O   
676  C CB  A LEU A 46  ? 0.6523 0.3807 0.2987 -0.1540 -0.0450 0.0663  1535 LEU A CB  
677  C CB  B LEU A 46  ? 0.6612 0.3992 0.3267 -0.1236 -0.0257 0.0779  1535 LEU A CB  
678  C CG  A LEU A 46  ? 0.6347 0.3951 0.2995 -0.1786 -0.0502 0.0663  1535 LEU A CG  
679  C CG  B LEU A 46  ? 0.6315 0.4256 0.3351 -0.1340 -0.0215 0.0648  1535 LEU A CG  
680  C CD1 A LEU A 46  ? 0.6046 0.4042 0.2691 -0.1861 -0.1000 0.0768  1535 LEU A CD1 
681  C CD1 B LEU A 46  ? 0.6056 0.4336 0.3269 -0.1524 -0.0403 0.0393  1535 LEU A CD1 
682  C CD2 A LEU A 46  ? 0.6489 0.3983 0.3225 -0.1863 -0.0314 0.0729  1535 LEU A CD2 
683  C CD2 B LEU A 46  ? 0.6327 0.4525 0.3333 -0.1145 -0.0295 0.0730  1535 LEU A CD2 
706  N N   . PRO A 47  ? 0.7223 0.3784 0.3198 -0.0699 -0.0569 0.0524  1536 PRO A N   
707  C CA  . PRO A 47  ? 0.7378 0.4195 0.3479 -0.0760 -0.0597 0.0221  1536 PRO A CA  
708  C C   . PRO A 47  ? 0.7570 0.4564 0.3982 -0.0688 -0.0964 0.0024  1536 PRO A C   
709  O O   . PRO A 47  ? 0.7739 0.5047 0.4160 -0.0715 -0.1350 0.0137  1536 PRO A O   
710  C CB  . PRO A 47  ? 0.7488 0.4204 0.3318 -0.0783 -0.0364 0.0531  1536 PRO A CB  
711  C CG  . PRO A 47  ? 0.7492 0.4064 0.3226 -0.0645 -0.0542 0.0324  1536 PRO A CG  
712  C CD  . PRO A 47  ? 0.7493 0.3799 0.3227 -0.0649 -0.0551 0.0686  1536 PRO A CD  
720  N N   . ALA A 48  ? 0.7633 0.4492 0.4192 -0.1070 -0.0726 -0.0053 1537 ALA A N   
721  C CA  . ALA A 48  ? 0.7544 0.4981 0.4654 -0.0942 -0.0687 -0.0030 1537 ALA A CA  
722  C C   . ALA A 48  ? 0.7205 0.5247 0.4809 -0.0852 -0.0912 0.0088  1537 ALA A C   
723  O O   . ALA A 48  ? 0.7174 0.5644 0.5123 -0.0702 -0.1151 0.0057  1537 ALA A O   
724  C CB  . ALA A 48  ? 0.7736 0.5108 0.4603 -0.0977 -0.0502 0.0089  1537 ALA A CB  
730  N N   . LEU A 49  ? 0.6909 0.4817 0.4327 -0.0803 -0.1135 0.0403  1538 LEU A N   
731  C CA  . LEU A 49  ? 0.6537 0.4569 0.4056 -0.0651 -0.1136 0.0558  1538 LEU A CA  
732  C C   . LEU A 49  ? 0.6768 0.4864 0.4268 -0.0402 -0.1292 0.0653  1538 LEU A C   
733  O O   . LEU A 49  ? 0.6918 0.4726 0.4318 -0.0053 -0.1278 0.0732  1538 LEU A O   
734  C CB  . LEU A 49  ? 0.6106 0.4273 0.3755 -0.0845 -0.1156 0.0712  1538 LEU A CB  
735  C CG  . LEU A 49  ? 0.5780 0.4159 0.3819 -0.1000 -0.0595 0.0800  1538 LEU A CG  
736  C CD1 . LEU A 49  ? 0.5615 0.4052 0.3963 -0.0895 -0.0441 0.1105  1538 LEU A CD1 
737  C CD2 . LEU A 49  ? 0.5843 0.4610 0.4118 -0.0611 -0.0468 0.0810  1538 LEU A CD2 
749  N N   . ASP A 50  ? 0.7104 0.5151 0.4239 -0.0221 -0.1323 0.0944  1539 ASP A N   
750  C CA  . ASP A 50  ? 0.7566 0.5785 0.4529 -0.0270 -0.0905 0.1357  1539 ASP A CA  
751  C C   . ASP A 50  ? 0.7260 0.5149 0.4012 -0.0298 -0.0598 0.1471  1539 ASP A C   
752  O O   . ASP A 50  ? 0.7413 0.5669 0.4032 -0.0139 -0.0462 0.1379  1539 ASP A O   
753  C CB  . ASP A 50  ? 0.8314 0.7265 0.5060 -0.0080 -0.0755 0.1555  1539 ASP A CB  
754  C CG  . ASP A 50  ? 0.8982 0.8732 0.5398 0.0116  -0.0662 0.1623  1539 ASP A CG  
755  O OD1 . ASP A 50  ? 0.9256 0.9197 0.5634 0.0201  -0.0680 0.1565  1539 ASP A OD1 
756  O OD2 . ASP A 50  ? 0.9267 0.9324 0.5468 0.0135  -0.0566 0.1714  1539 ASP A OD2 
761  N N   . LEU A 51  ? 0.6960 0.4211 0.3867 -0.0522 -0.0468 0.1570  1540 LEU A N   
762  C CA  . LEU A 51  ? 0.6954 0.4365 0.4166 -0.0420 -0.0005 0.1237  1540 LEU A CA  
763  C C   . LEU A 51  ? 0.7470 0.5387 0.4946 -0.0849 0.0494  0.1237  1540 LEU A C   
764  O O   . LEU A 51  ? 0.7830 0.5463 0.5000 -0.0962 0.0413  0.1041  1540 LEU A O   
765  C CB  . LEU A 51  ? 0.6445 0.3661 0.3685 -0.0118 0.0218  0.1050  1540 LEU A CB  
766  C CG  . LEU A 51  ? 0.5910 0.3289 0.3462 0.0490  0.0123  0.0563  1540 LEU A CG  
767  C CD1 . LEU A 51  ? 0.5506 0.3616 0.3080 0.0858  0.0045  0.0371  1540 LEU A CD1 
768  C CD2 . LEU A 51  ? 0.5878 0.3270 0.3822 0.0663  -0.0171 0.0417  1540 LEU A CD2 
780  N N   . LYS A 52  ? 0.7422 0.6122 0.5703 -0.1166 0.0791  0.1117  1541 LYS A N   
781  C CA  . LYS A 52  ? 0.7415 0.6731 0.6620 -0.1228 0.1022  0.0946  1541 LYS A CA  
782  C C   . LYS A 52  ? 0.8103 0.7418 0.7587 -0.1378 0.1191  0.0761  1541 LYS A C   
783  O O   . LYS A 52  ? 0.8099 0.7241 0.7504 -0.1553 0.1196  0.0829  1541 LYS A O   
787  N N   . PRO A 53  ? 0.8874 0.8317 0.8541 -0.1282 0.1383  0.0590  1542 PRO A N   
788  C CA  . PRO A 53  ? 0.9615 0.9273 0.9500 -0.1142 0.1509  0.0425  1542 PRO A CA  
789  C C   . PRO A 53  ? 0.9536 0.8975 0.9492 -0.1128 0.1597  0.0337  1542 PRO A C   
790  O O   . PRO A 53  ? 0.9588 0.8879 0.9503 -0.0982 0.1630  0.0298  1542 PRO A O   
793  N N   . ARG A 62  ? 0.9372 0.7158 0.6778 -0.1411 -0.0127 0.0666  1551 ARG A N   
794  C CA  . ARG A 62  ? 0.8665 0.6997 0.6771 -0.1301 -0.0110 0.0742  1551 ARG A CA  
795  C C   . ARG A 62  ? 0.9005 0.6501 0.6027 -0.0954 -0.0106 0.0963  1551 ARG A C   
796  O O   . ARG A 62  ? 0.9569 0.6580 0.5807 -0.1218 0.0107  0.1063  1551 ARG A O   
799  N N   . ARG A 63  ? 0.8378 0.5635 0.5629 -0.0252 -0.0410 0.0935  1552 ARG A N   
800  C CA  . ARG A 63  ? 0.7309 0.4840 0.5511 0.0507  -0.0436 0.0904  1552 ARG A CA  
801  C C   . ARG A 63  ? 0.7347 0.3770 0.4716 0.0719  -0.0390 0.0761  1552 ARG A C   
802  O O   . ARG A 63  ? 0.7419 0.3295 0.4355 0.0104  0.0022  0.1139  1552 ARG A O   
806  N N   . PRO A 64  ? 0.7336 0.2901 0.4525 0.1215  -0.0801 0.0396  1553 PRO A N   
807  C CA  . PRO A 64  ? 0.6582 0.2715 0.4139 0.0790  -0.0805 0.0250  1553 PRO A CA  
808  C C   . PRO A 64  ? 0.5710 0.2463 0.3797 0.0591  -0.0952 0.0358  1553 PRO A C   
809  O O   . PRO A 64  ? 0.5223 0.2704 0.3789 0.0103  -0.0595 0.0526  1553 PRO A O   
810  C CB  . PRO A 64  ? 0.7104 0.2654 0.4442 0.0983  -0.0822 0.0241  1553 PRO A CB  
811  C CG  . PRO A 64  ? 0.7535 0.2969 0.4631 0.1408  -0.0885 -0.0084 1553 PRO A CG  
812  C CD  . PRO A 64  ? 0.7759 0.3131 0.4598 0.1771  -0.1061 0.0410  1553 PRO A CD  
820  N N   . TRP A 65  ? 0.5475 0.2640 0.3685 0.1320  -0.0741 0.0317  1554 TRP A N   
821  C CA  . TRP A 65  ? 0.5047 0.2499 0.3144 0.0710  -0.0720 0.0178  1554 TRP A CA  
822  C C   . TRP A 65  ? 0.4463 0.2259 0.2818 0.0713  -0.0460 0.0268  1554 TRP A C   
823  O O   . TRP A 65  ? 0.4811 0.3349 0.2867 0.0971  -0.0515 0.0580  1554 TRP A O   
824  C CB  . TRP A 65  ? 0.5399 0.2250 0.3198 0.0600  -0.0823 -0.0129 1554 TRP A CB  
825  C CG  . TRP A 65  ? 0.5687 0.2398 0.3321 0.0775  -0.0819 -0.0099 1554 TRP A CG  
826  C CD1 . TRP A 65  ? 0.5936 0.2406 0.3594 0.0875  -0.0867 0.0182  1554 TRP A CD1 
827  C CD2 . TRP A 65  ? 0.5654 0.2639 0.2883 0.1041  -0.0476 0.0290  1554 TRP A CD2 
828  N NE1 . TRP A 65  ? 0.6010 0.3025 0.3221 0.0986  -0.0607 0.0435  1554 TRP A NE1 
829  C CE2 . TRP A 65  ? 0.5743 0.2881 0.2922 0.0979  -0.0477 0.0427  1554 TRP A CE2 
830  C CE3 . TRP A 65  ? 0.5556 0.2981 0.2760 0.0833  -0.0291 0.0244  1554 TRP A CE3 
831  C CZ2 . TRP A 65  ? 0.5703 0.2859 0.3214 0.1486  -0.0006 0.0228  1554 TRP A CZ2 
832  C CZ3 . TRP A 65  ? 0.5626 0.3266 0.3249 0.0705  0.0087  0.0178  1554 TRP A CZ3 
833  C CH2 . TRP A 65  ? 0.5728 0.3083 0.3420 0.0811  0.0309  0.0386  1554 TRP A CH2 
844  N N   . VAL A 66  ? 0.4209 0.2886 0.2757 0.0553  -0.0410 0.0122  1555 VAL A N   
845  C CA  . VAL A 66  ? 0.4236 0.3136 0.2756 0.0592  -0.0362 0.0043  1555 VAL A CA  
846  C C   . VAL A 66  ? 0.3679 0.3043 0.2413 0.0748  -0.0722 0.0408  1555 VAL A C   
847  O O   . VAL A 66  ? 0.3655 0.3246 0.2555 0.0737  -0.0516 0.0393  1555 VAL A O   
848  C CB  . VAL A 66  ? 0.4784 0.3444 0.2972 0.0050  0.0120  -0.0062 1555 VAL A CB  
849  C CG1 . VAL A 66  ? 0.5272 0.3981 0.2920 0.0039  0.0376  0.0037  1555 VAL A CG1 
850  C CG2 . VAL A 66  ? 0.5285 0.4465 0.3364 -0.0023 -0.0275 0.0105  1555 VAL A CG2 
860  N N   . LEU A 67  ? 0.4064 0.3287 0.2642 0.0347  -0.0301 0.0071  1556 LEU A N   
861  C CA  . LEU A 67  ? 0.3942 0.3013 0.2520 0.0550  -0.0326 -0.0027 1556 LEU A CA  
862  C C   . LEU A 67  ? 0.4486 0.2971 0.2502 0.0394  -0.0601 -0.0028 1556 LEU A C   
863  O O   . LEU A 67  ? 0.5277 0.3724 0.2415 0.0839  -0.0688 -0.0027 1556 LEU A O   
864  C CB  . LEU A 67  ? 0.4387 0.3472 0.2694 0.1168  -0.0442 -0.0063 1556 LEU A CB  
865  C CG  . LEU A 67  ? 0.4620 0.3805 0.3078 0.1531  -0.0471 -0.0621 1556 LEU A CG  
866  C CD1 . LEU A 67  ? 0.4983 0.4921 0.3286 0.1201  -0.0318 -0.0471 1556 LEU A CD1 
867  C CD2 . LEU A 67  ? 0.4665 0.4103 0.3205 0.1583  -0.0305 -0.0630 1556 LEU A CD2 
879  N N   . GLY A 68  ? 0.4132 0.2915 0.2529 0.0402  -0.0696 -0.0241 1557 GLY A N   
880  C CA  . GLY A 68  ? 0.4126 0.3125 0.2602 0.0621  -0.0593 -0.0237 1557 GLY A CA  
881  C C   . GLY A 68  ? 0.3810 0.3210 0.2582 0.0177  -0.0700 -0.0414 1557 GLY A C   
882  O O   . GLY A 68  ? 0.4065 0.3382 0.2490 -0.0024 -0.0795 -0.0372 1557 GLY A O   
886  N N   . LYS A 69  ? 0.3870 0.3264 0.2533 -0.0046 -0.0641 -0.0147 1558 LYS A N   
887  C CA  . LYS A 69  ? 0.3765 0.3693 0.2868 -0.0299 -0.0316 -0.0404 1558 LYS A CA  
888  C C   . LYS A 69  ? 0.3698 0.3074 0.2486 -0.0040 -0.0133 -0.0544 1558 LYS A C   
889  O O   . LYS A 69  ? 0.4027 0.3194 0.2592 -0.0265 -0.0015 -0.0425 1558 LYS A O   
890  C CB  . LYS A 69  ? 0.4162 0.4991 0.3437 -0.0590 -0.0215 -0.0944 1558 LYS A CB  
891  C CG  . LYS A 69  ? 0.5025 0.5746 0.4139 -0.1180 -0.0478 -0.1388 1558 LYS A CG  
892  C CD  . LYS A 69  ? 0.5690 0.6622 0.4572 -0.1238 -0.0645 -0.1522 1558 LYS A CD  
893  C CE  . LYS A 69  ? 0.6315 0.7387 0.4789 -0.1282 -0.0746 -0.1756 1558 LYS A CE  
894  N NZ  . LYS A 69  ? 0.6846 0.7596 0.4879 -0.1468 -0.0946 -0.2058 1558 LYS A NZ  
908  N N   . VAL A 70  ? 0.3716 0.2796 0.2445 -0.0023 -0.0326 -0.0542 1559 VAL A N   
909  C CA  . VAL A 70  ? 0.3866 0.2777 0.2644 -0.0168 -0.0054 -0.0512 1559 VAL A CA  
910  C C   . VAL A 70  ? 0.4329 0.2570 0.2918 -0.0206 0.0207  -0.0443 1559 VAL A C   
911  O O   . VAL A 70  ? 0.4866 0.2585 0.3309 -0.0477 0.0492  -0.0798 1559 VAL A O   
912  C CB  . VAL A 70  ? 0.3817 0.2441 0.2684 -0.0052 0.0134  -0.0810 1559 VAL A CB  
913  C CG1 . VAL A 70  ? 0.4540 0.2836 0.2968 0.0349  0.0065  -0.0609 1559 VAL A CG1 
914  C CG2 . VAL A 70  ? 0.4425 0.2751 0.2520 0.0128  -0.0237 -0.0291 1559 VAL A CG2 
924  N N   . MET A 71  ? 0.4247 0.2322 0.3123 -0.0262 0.0206  -0.0557 1560 MET A N   
925  C CA  . MET A 71  ? 0.5056 0.2289 0.3251 -0.0408 0.0373  -0.0711 1560 MET A CA  
926  C C   . MET A 71  ? 0.5106 0.2591 0.3801 -0.0493 0.0116  -0.0709 1560 MET A C   
927  O O   . MET A 71  ? 0.5132 0.2969 0.4420 -0.0560 -0.0059 -0.0983 1560 MET A O   
928  C CB  . MET A 71  ? 0.5710 0.3392 0.3314 -0.0021 0.0197  -0.0621 1560 MET A CB  
929  C CG  . MET A 71  ? 0.6277 0.4226 0.3883 -0.0237 -0.0115 0.0320  1560 MET A CG  
930  S SD  . MET A 71  ? 0.6661 0.4994 0.4922 -0.0179 -0.0540 0.0641  1560 MET A SD  
931  C CE  . MET A 71  ? 0.6794 0.5229 0.5216 -0.0402 -0.0624 0.0531  1560 MET A CE  
941  N N   . GLU A 72  ? 0.4811 0.2524 0.3678 -0.0178 0.0406  -0.0571 1561 GLU A N   
942  C CA  . GLU A 72  ? 0.5229 0.2565 0.3734 -0.0120 0.0444  -0.0547 1561 GLU A CA  
943  C C   . GLU A 72  ? 0.4775 0.2504 0.3981 -0.0462 0.0431  -0.0343 1561 GLU A C   
944  O O   . GLU A 72  ? 0.4271 0.2344 0.3856 -0.0100 0.0516  -0.0144 1561 GLU A O   
945  C CB  . GLU A 72  ? 0.6233 0.3166 0.3869 0.0478  0.0567  -0.0711 1561 GLU A CB  
946  C CG  . GLU A 72  ? 0.7095 0.3954 0.4019 0.0943  0.0789  -0.0382 1561 GLU A CG  
947  C CD  . GLU A 72  ? 0.8237 0.4281 0.4038 0.1160  0.0759  -0.0449 1561 GLU A CD  
948  O OE1 . GLU A 72  ? 0.8883 0.3852 0.3880 0.0967  0.1128  -0.0582 1561 GLU A OE1 
949  O OE2 . GLU A 72  ? 0.8387 0.4963 0.4190 0.0613  0.0324  -0.0259 1561 GLU A OE2 
956  N N   . LYS A 73  ? 0.4594 0.2630 0.4508 -0.0102 0.0767  -0.0424 1562 LYS A N   
957  C CA  . LYS A 73  ? 0.4367 0.3311 0.4940 0.0206  0.0981  -0.0417 1562 LYS A CA  
958  C C   . LYS A 73  ? 0.4917 0.3125 0.5556 0.0426  0.0989  -0.0746 1562 LYS A C   
959  O O   . LYS A 73  ? 0.5222 0.3041 0.5854 0.0297  0.0702  -0.0591 1562 LYS A O   
963  N N   . GLU A 74  ? 0.5085 0.3303 0.5965 0.0385  0.1336  -0.1014 1563 GLU A N   
964  C CA  . GLU A 74  ? 0.5076 0.3573 0.6529 0.0464  0.1473  -0.0635 1563 GLU A CA  
965  C C   . GLU A 74  ? 0.4688 0.3360 0.6698 0.0662  0.1253  -0.0308 1563 GLU A C   
966  O O   . GLU A 74  ? 0.4586 0.3141 0.6730 0.0870  0.0901  -0.0516 1563 GLU A O   
967  C CB  . GLU A 74  ? 0.5866 0.4618 0.6812 0.0278  0.1819  -0.0638 1563 GLU A CB  
968  C CG  . GLU A 74  ? 0.6702 0.5359 0.7036 0.0337  0.1901  -0.0595 1563 GLU A CG  
969  C CD  . GLU A 74  ? 0.7407 0.5740 0.7124 0.0319  0.1818  -0.0569 1563 GLU A CD  
970  O OE1 . GLU A 74  ? 0.7837 0.5895 0.7232 0.0072  0.1569  -0.0454 1563 GLU A OE1 
971  O OE2 . GLU A 74  ? 0.7244 0.5800 0.7052 0.0669  0.1932  -0.0532 1563 GLU A OE2 
978  N N   . TYR A 75  ? 0.4470 0.3719 0.6785 0.1073  0.1248  0.0206  1564 TYR A N   
979  C CA  . TYR A 75  ? 0.4690 0.3662 0.6756 0.1169  0.1496  0.0583  1564 TYR A CA  
980  C C   . TYR A 75  ? 0.4593 0.3759 0.6573 0.1306  0.1590  0.0131  1564 TYR A C   
981  O O   . TYR A 75  ? 0.4933 0.4056 0.6842 0.1496  0.1481  0.0033  1564 TYR A O   
982  C CB  . TYR A 75  ? 0.4703 0.3880 0.6827 0.1551  0.1526  0.1185  1564 TYR A CB  
983  C CG  . TYR A 75  ? 0.4770 0.4288 0.6762 0.1587  0.1767  0.1509  1564 TYR A CG  
984  C CD1 . TYR A 75  ? 0.4846 0.4808 0.6751 0.1326  0.1998  0.1546  1564 TYR A CD1 
985  C CD2 . TYR A 75  ? 0.5073 0.4918 0.6872 0.1547  0.1448  0.1509  1564 TYR A CD2 
986  C CE1 . TYR A 75  ? 0.4625 0.4958 0.6728 0.1348  0.2041  0.1679  1564 TYR A CE1 
987  C CE2 . TYR A 75  ? 0.5118 0.5445 0.6948 0.1545  0.1422  0.1393  1564 TYR A CE2 
988  C CZ  . TYR A 75  ? 0.4854 0.5882 0.6889 0.1323  0.1744  0.1449  1564 TYR A CZ  
989  O OH  . TYR A 75  ? 0.4995 0.6214 0.6903 0.1486  0.1752  0.1632  1564 TYR A OH  
999  N N   . CYS A 76  ? 0.4374 0.3828 0.6096 0.1268  0.1684  0.0192  1565 CYS A N   
1000 C CA  . CYS A 76  ? 0.4031 0.4699 0.5617 0.0966  0.1571  -0.0058 1565 CYS A CA  
1001 C C   . CYS A 76  ? 0.3804 0.5105 0.5243 0.1223  0.1819  0.0041  1565 CYS A C   
1002 O O   . CYS A 76  ? 0.3876 0.5117 0.5187 0.1187  0.1490  0.0352  1565 CYS A O   
1003 C CB  . CYS A 76  ? 0.4571 0.4984 0.5658 0.0302  0.1032  -0.0303 1565 CYS A CB  
1004 S SG  . CYS A 76  ? 0.4858 0.5254 0.5584 0.0065  0.1007  -0.0704 1565 CYS A SG  
1010 N N   . GLN A 77  ? 0.3937 0.5601 0.5044 0.0866  0.1778  0.0292  1566 GLN A N   
1011 C CA  . GLN A 77  ? 0.4093 0.6249 0.4945 0.1050  0.1513  0.0332  1566 GLN A CA  
1012 C C   . GLN A 77  ? 0.3858 0.6354 0.4558 0.1214  0.1483  0.0389  1566 GLN A C   
1013 O O   . GLN A 77  ? 0.3689 0.6554 0.4430 0.1027  0.1363  0.0049  1566 GLN A O   
1014 C CB  . GLN A 77  ? 0.4926 0.6945 0.5200 0.1152  0.1226  0.0232  1566 GLN A CB  
1015 C CG  . GLN A 77  ? 0.5146 0.7361 0.5395 0.1387  0.1104  0.0217  1566 GLN A CG  
1016 C CD  . GLN A 77  ? 0.5655 0.7814 0.5609 0.1494  0.0980  0.0168  1566 GLN A CD  
1017 O OE1 . GLN A 77  ? 0.5934 0.8298 0.5807 0.1347  0.1050  0.0236  1566 GLN A OE1 
1018 N NE2 . GLN A 77  ? 0.5955 0.7778 0.5814 0.1663  0.0689  0.0208  1566 GLN A NE2 
1027 N N   . ALA A 78  ? 0.3823 0.6494 0.4239 0.1218  0.1483  0.0493  1567 ALA A N   
1028 C CA  . ALA A 78  ? 0.3844 0.6670 0.4388 0.1088  0.1281  0.0684  1567 ALA A CA  
1029 C C   . ALA A 78  ? 0.3903 0.6803 0.4622 0.0898  0.1472  0.0746  1567 ALA A C   
1030 O O   . ALA A 78  ? 0.3577 0.7056 0.4806 0.0842  0.1290  0.0916  1567 ALA A O   
1031 C CB  . ALA A 78  ? 0.4018 0.6791 0.4490 0.1186  0.0973  0.0801  1567 ALA A CB  
1037 N N   . LYS A 79  ? 0.3944 0.6722 0.4753 0.1011  0.1804  0.0394  1568 LYS A N   
1038 C CA  . LYS A 79  ? 0.4411 0.6276 0.5233 0.0796  0.1817  0.0518  1568 LYS A CA  
1039 C C   . LYS A 79  ? 0.4557 0.6706 0.5605 0.0752  0.1990  0.0634  1568 LYS A C   
1040 O O   . LYS A 79  ? 0.4805 0.7109 0.5757 0.0894  0.2043  0.0449  1568 LYS A O   
1044 N N   . LYS A 80  ? 0.4753 0.6808 0.5898 0.0647  0.1982  0.0336  1569 LYS A N   
1045 C CA  . LYS A 80  ? 0.5420 0.6705 0.6211 0.0288  0.1557  0.0525  1569 LYS A CA  
1046 C C   . LYS A 80  ? 0.4751 0.6924 0.6290 -0.0108 0.1337  0.0523  1569 LYS A C   
1047 O O   . LYS A 80  ? 0.4142 0.6986 0.6198 -0.0167 0.1392  0.0484  1569 LYS A O   
1051 N N   . ALA A 81  ? 0.5091 0.7276 0.6478 -0.0268 0.1075  0.0547  1570 ALA A N   
1052 C CA  . ALA A 81  ? 0.5177 0.7269 0.6562 -0.0607 0.1007  0.0689  1570 ALA A CA  
1053 C C   . ALA A 81  ? 0.5233 0.7275 0.6473 -0.0783 0.1201  0.0971  1570 ALA A C   
1054 O O   . ALA A 81  ? 0.5235 0.7365 0.6356 -0.0712 0.1469  0.0866  1570 ALA A O   
1055 C CB  . ALA A 81  ? 0.5515 0.7340 0.6708 -0.0457 0.0796  0.0630  1570 ALA A CB  
1061 N N   . GLN A 82  ? 0.5514 0.7056 0.6354 -0.0930 0.1047  0.1293  1571 GLN A N   
1062 C CA  . GLN A 82  ? 0.5859 0.7160 0.6350 -0.0866 0.1139  0.1456  1571 GLN A CA  
1063 C C   . GLN A 82  ? 0.5322 0.7744 0.5792 -0.0671 0.1341  0.1516  1571 GLN A C   
1064 O O   . GLN A 82  ? 0.5262 0.8081 0.5709 -0.0609 0.1425  0.1572  1571 GLN A O   
1068 N N   . ASN A 83  ? 0.4997 0.7737 0.5246 -0.0701 0.1508  0.1557  1572 ASN A N   
1069 C CA  . ASN A 83  ? 0.4813 0.7731 0.4720 -0.0543 0.1706  0.1556  1572 ASN A CA  
1070 C C   . ASN A 83  ? 0.5080 0.7601 0.4783 -0.0344 0.1841  0.1611  1572 ASN A C   
1071 O O   . ASN A 83  ? 0.5241 0.7397 0.4866 -0.0479 0.1518  0.1907  1572 ASN A O   
1072 C CB  . ASN A 83  ? 0.4433 0.7679 0.4183 -0.0605 0.1580  0.1431  1572 ASN A CB  
1073 C CG  . ASN A 83  ? 0.3998 0.7569 0.3752 -0.0659 0.1171  0.1552  1572 ASN A CG  
1074 O OD1 . ASN A 83  ? 0.3861 0.7849 0.3601 -0.0170 0.0643  0.1306  1572 ASN A OD1 
1075 N ND2 . ASN A 83  ? 0.4485 0.7329 0.4099 -0.0813 0.1037  0.1667  1572 ASN A ND2 
1082 N N   . ARG A 84  ? 0.4849 0.7297 0.4735 0.0069  0.1996  0.1531  1573 ARG A N   
1083 C CA  . ARG A 84  ? 0.5045 0.6262 0.4889 -0.0222 0.1716  0.1813  1573 ARG A CA  
1084 C C   . ARG A 84  ? 0.5024 0.6266 0.4638 -0.0054 0.1273  0.1701  1573 ARG A C   
1085 O O   . ARG A 84  ? 0.5270 0.6644 0.4740 -0.0112 0.1046  0.1612  1573 ARG A O   
1089 N N   . PHE A 85  ? 0.4863 0.5944 0.4233 -0.0058 0.1165  0.1427  1574 PHE A N   
1090 C CA  . PHE A 85  ? 0.4579 0.5852 0.4047 -0.0624 0.0998  0.1310  1574 PHE A CA  
1091 C C   . PHE A 85  ? 0.4555 0.5943 0.4366 -0.0719 0.0850  0.1208  1574 PHE A C   
1092 O O   . PHE A 85  ? 0.4272 0.5792 0.4224 -0.0354 0.0578  0.1041  1574 PHE A O   
1093 C CB  . PHE A 85  ? 0.4755 0.6251 0.3892 -0.0820 0.0930  0.1032  1574 PHE A CB  
1094 C CG  . PHE A 85  ? 0.4913 0.6577 0.3572 -0.1254 0.0987  0.0991  1574 PHE A CG  
1095 C CD1 . PHE A 85  ? 0.4864 0.7101 0.3633 -0.1549 0.1135  0.0731  1574 PHE A CD1 
1096 C CD2 . PHE A 85  ? 0.5478 0.6743 0.3822 -0.1410 0.0276  0.0811  1574 PHE A CD2 
1097 C CE1 . PHE A 85  ? 0.5379 0.7373 0.3761 -0.1435 0.0939  0.0560  1574 PHE A CE1 
1098 C CE2 . PHE A 85  ? 0.5704 0.6973 0.4071 -0.1398 0.0037  0.0571  1574 PHE A CE2 
1099 C CZ  . PHE A 85  ? 0.5653 0.7239 0.4135 -0.1525 0.0441  0.0538  1574 PHE A CZ  
1109 N N   . LYS A 86  ? 0.4651 0.5936 0.4781 -0.0811 0.0596  0.1307  1575 LYS A N   
1110 C CA  . LYS A 86  ? 0.5001 0.6517 0.5204 -0.0783 0.0346  0.1344  1575 LYS A CA  
1111 C C   . LYS A 86  ? 0.4871 0.6521 0.4867 -0.0623 0.0271  0.0980  1575 LYS A C   
1112 O O   . LYS A 86  ? 0.5315 0.6737 0.4847 -0.0679 -0.0041 0.0563  1575 LYS A O   
1113 C CB  . LYS A 86  ? 0.5656 0.7252 0.5943 -0.0711 0.0079  0.1552  1575 LYS A CB  
1114 C CG  . LYS A 86  ? 0.6342 0.8023 0.6566 -0.0374 -0.0253 0.1856  1575 LYS A CG  
1115 C CD  . LYS A 86  ? 0.6899 0.8814 0.7222 -0.0333 -0.0325 0.2064  1575 LYS A CD  
1116 C CE  . LYS A 86  ? 0.7334 0.9408 0.7675 -0.0563 -0.0222 0.2179  1575 LYS A CE  
1117 N NZ  . LYS A 86  ? 0.7615 0.9711 0.7925 -0.0672 -0.0045 0.2241  1575 LYS A NZ  
1131 N N   . VAL A 87  ? 0.4191 0.6266 0.4375 -0.0228 0.0520  0.1116  1576 VAL A N   
1132 C CA  . VAL A 87  ? 0.4033 0.6446 0.3972 -0.0286 0.0809  0.0790  1576 VAL A CA  
1133 C C   . VAL A 87  ? 0.4159 0.6806 0.4059 -0.0352 0.0599  0.0782  1576 VAL A C   
1134 O O   . VAL A 87  ? 0.4152 0.7012 0.4090 -0.0335 0.0527  0.0733  1576 VAL A O   
1135 C CB  . VAL A 87  ? 0.3606 0.6071 0.3705 -0.0199 0.0873  0.0734  1576 VAL A CB  
1136 C CG1 . VAL A 87  ? 0.3438 0.6003 0.3842 0.0210  0.0759  0.0945  1576 VAL A CG1 
1137 C CG2 . VAL A 87  ? 0.3773 0.5984 0.3455 0.0193  0.0851  0.0815  1576 VAL A CG2 
1147 N N   . PRO A 88  ? 0.4318 0.7338 0.3975 -0.0008 0.0459  0.0319  1577 PRO A N   
1148 C CA  . PRO A 88  ? 0.4317 0.7506 0.4156 0.0167  0.0445  0.0274  1577 PRO A CA  
1149 C C   . PRO A 88  ? 0.4060 0.7611 0.4240 0.0360  0.0749  0.0357  1577 PRO A C   
1150 O O   . PRO A 88  ? 0.3985 0.7248 0.4068 0.0171  0.0981  0.0348  1577 PRO A O   
1151 C CB  . PRO A 88  ? 0.4624 0.7596 0.4298 0.0327  0.0339  0.0301  1577 PRO A CB  
1152 C CG  . PRO A 88  ? 0.4487 0.7617 0.4286 0.0256  0.0320  0.0283  1577 PRO A CG  
1153 C CD  . PRO A 88  ? 0.4475 0.7513 0.3976 0.0402  0.0401  0.0286  1577 PRO A CD  
1161 N N   . LEU A 89  ? 0.3988 0.8009 0.4441 0.0461  0.0772  0.0512  1578 LEU A N   
1162 C CA  . LEU A 89  ? 0.3808 0.8463 0.4631 0.0746  0.0879  0.0648  1578 LEU A CA  
1163 C C   . LEU A 89  ? 0.3639 0.8455 0.4442 0.0883  0.0722  0.0593  1578 LEU A C   
1164 O O   . LEU A 89  ? 0.3611 0.8566 0.4340 0.1008  0.0349  0.0729  1578 LEU A O   
1165 C CB  . LEU A 89  ? 0.3809 0.8897 0.5000 0.0562  0.0617  0.0693  1578 LEU A CB  
1166 C CG  . LEU A 89  ? 0.3905 0.9507 0.5291 0.0461  0.0851  0.0496  1578 LEU A CG  
1167 C CD1 . LEU A 89  ? 0.3927 0.9635 0.5298 0.0012  0.1030  0.0578  1578 LEU A CD1 
1168 C CD2 . LEU A 89  ? 0.4262 0.9816 0.5553 0.0885  0.0840  0.0387  1578 LEU A CD2 
1180 N N   . GLY A 90  ? 0.3445 0.8157 0.4178 0.0974  0.0774  0.0641  1579 GLY A N   
1181 C CA  . GLY A 90  ? 0.3536 0.8021 0.4165 0.1223  0.0701  0.0807  1579 GLY A CA  
1182 C C   . GLY A 90  ? 0.3760 0.7740 0.3763 0.1552  0.0734  0.0949  1579 GLY A C   
1183 O O   . GLY A 90  ? 0.3943 0.7704 0.3642 0.1461  0.0647  0.0969  1579 GLY A O   
1187 N N   . THR A 91  ? 0.3946 0.7435 0.3448 0.1596  0.0941  0.1194  1580 THR A N   
1188 C CA  . THR A 91  ? 0.4078 0.7183 0.3382 0.1201  0.0952  0.1461  1580 THR A CA  
1189 C C   . THR A 91  ? 0.4040 0.6653 0.3254 0.1371  0.1139  0.1686  1580 THR A C   
1190 O O   . THR A 91  ? 0.4464 0.6628 0.3210 0.1955  0.1112  0.1020  1580 THR A O   
1191 C CB  . THR A 91  ? 0.3636 0.7333 0.3297 0.0918  0.0772  0.1139  1580 THR A CB  
1192 O OG1 . THR A 91  ? 0.3663 0.7564 0.3380 0.0439  0.0372  0.0799  1580 THR A OG1 
1193 C CG2 . THR A 91  ? 0.3252 0.7471 0.3375 0.1243  0.1070  0.1063  1580 THR A CG2 
1201 N N   . LYS A 92  ? 0.4116 0.6455 0.3966 0.1396  0.1373  0.1602  1581 LYS A N   
1202 C CA  . LYS A 92  ? 0.3905 0.6187 0.4261 0.1424  0.1173  0.1637  1581 LYS A CA  
1203 C C   . LYS A 92  ? 0.3716 0.5594 0.4060 0.1225  0.1035  0.1189  1581 LYS A C   
1204 O O   . LYS A 92  ? 0.3712 0.6089 0.3967 0.1414  0.0926  0.0824  1581 LYS A O   
1205 C CB  . LYS A 92  ? 0.4179 0.6574 0.5118 0.1792  0.0931  0.1708  1581 LYS A CB  
1206 C CG  . LYS A 92  ? 0.4599 0.7077 0.5775 0.2393  0.0653  0.1519  1581 LYS A CG  
1207 C CD  . LYS A 92  ? 0.5012 0.7836 0.6230 0.2830  0.0643  0.1065  1581 LYS A CD  
1208 C CE  . LYS A 92  ? 0.5718 0.8445 0.6480 0.2756  0.0516  0.0907  1581 LYS A CE  
1209 N NZ  . LYS A 92  ? 0.6173 0.8865 0.6630 0.2481  0.0398  0.0945  1581 LYS A NZ  
1223 N N   . PHE A 93  ? 0.3148 0.4981 0.3996 0.0709  0.1110  0.0831  1582 PHE A N   
1224 C CA  . PHE A 93  ? 0.3519 0.4313 0.3830 0.1102  0.1310  0.0547  1582 PHE A CA  
1225 C C   . PHE A 93  ? 0.3645 0.4073 0.4078 0.0746  0.1288  0.0466  1582 PHE A C   
1226 O O   . PHE A 93  ? 0.3925 0.3766 0.4380 0.0925  0.1152  0.0194  1582 PHE A O   
1227 C CB  . PHE A 93  ? 0.3434 0.4136 0.3559 0.1171  0.1136  0.0722  1582 PHE A CB  
1228 C CG  . PHE A 93  ? 0.3184 0.4501 0.3329 0.0827  0.0952  0.0717  1582 PHE A CG  
1229 C CD1 . PHE A 93  ? 0.3316 0.4976 0.3470 0.0613  0.0882  0.0734  1582 PHE A CD1 
1230 C CD2 . PHE A 93  ? 0.3656 0.4356 0.3265 0.0523  0.1006  0.0778  1582 PHE A CD2 
1231 C CE1 . PHE A 93  ? 0.3569 0.5033 0.3576 0.0324  0.0576  0.0869  1582 PHE A CE1 
1232 C CE2 . PHE A 93  ? 0.3448 0.5063 0.3526 0.0337  0.1002  0.0522  1582 PHE A CE2 
1233 C CZ  . PHE A 93  ? 0.3609 0.4924 0.3586 0.0496  0.0691  0.0866  1582 PHE A CZ  
1243 N N   . TYR A 94  ? 0.3629 0.3595 0.4253 0.0812  0.0990  0.0264  1583 TYR A N   
1244 C CA  . TYR A 94  ? 0.3970 0.2861 0.4285 0.0471  0.1139  0.0166  1583 TYR A CA  
1245 C C   . TYR A 94  ? 0.3900 0.2823 0.3853 0.0757  0.0949  -0.0063 1583 TYR A C   
1246 O O   . TYR A 94  ? 0.3543 0.3278 0.3475 0.0544  0.0735  0.0103  1583 TYR A O   
1247 C CB  . TYR A 94  ? 0.3621 0.3169 0.4899 0.0604  0.1366  0.0413  1583 TYR A CB  
1248 C CG  . TYR A 94  ? 0.3857 0.3547 0.5464 0.1046  0.1370  0.0637  1583 TYR A CG  
1249 C CD1 . TYR A 94  ? 0.4076 0.3682 0.5493 0.0930  0.1650  0.1259  1583 TYR A CD1 
1250 C CD2 . TYR A 94  ? 0.4118 0.3779 0.5822 0.0743  0.1257  0.0823  1583 TYR A CD2 
1251 C CE1 . TYR A 94  ? 0.4489 0.3720 0.5721 0.1011  0.1695  0.1507  1583 TYR A CE1 
1252 C CE2 . TYR A 94  ? 0.4502 0.3918 0.6039 0.0663  0.1313  0.1207  1583 TYR A CE2 
1253 C CZ  . TYR A 94  ? 0.4805 0.3906 0.5953 0.0565  0.1532  0.1616  1583 TYR A CZ  
1254 O OH  . TYR A 94  ? 0.5361 0.4384 0.6323 0.0616  0.1314  0.1731  1583 TYR A OH  
1264 N N   . ARG A 95  ? 0.4011 0.3049 0.3898 0.0538  0.0919  0.0189  1584 ARG A N   
1265 C CA  . ARG A 95  ? 0.3900 0.3304 0.3998 -0.0076 0.1166  -0.0144 1584 ARG A CA  
1266 C C   . ARG A 95  ? 0.4058 0.2785 0.3856 0.0186  0.1000  -0.0157 1584 ARG A C   
1267 O O   . ARG A 95  ? 0.4466 0.2729 0.4447 0.0319  0.0868  -0.0338 1584 ARG A O   
1268 C CB  . ARG A 95  ? 0.4005 0.4116 0.4361 -0.0279 0.1549  -0.0702 1584 ARG A CB  
1269 C CG  . ARG A 95  ? 0.4668 0.5187 0.4562 -0.0132 0.2097  -0.0627 1584 ARG A CG  
1270 C CD  . ARG A 95  ? 0.5486 0.6429 0.4756 -0.0015 0.2311  -0.1096 1584 ARG A CD  
1271 N NE  . ARG A 95  ? 0.6256 0.7542 0.4847 -0.0448 0.2328  -0.0926 1584 ARG A NE  
1272 C CZ  . ARG A 95  ? 0.6580 0.8172 0.4997 -0.0907 0.2281  -0.0648 1584 ARG A CZ  
1273 N NH1 . ARG A 95  ? 0.6817 0.8377 0.5064 -0.1243 0.2215  -0.0435 1584 ARG A NH1 
1274 N NH2 . ARG A 95  ? 0.6595 0.8452 0.5266 -0.0830 0.2373  -0.0564 1584 ARG A NH2 
1288 N N   . VAL A 96  ? 0.4100 0.3121 0.3280 0.0031  0.0843  -0.0265 1585 VAL A N   
1289 C CA  . VAL A 96  ? 0.4155 0.2728 0.3273 0.0316  0.0851  -0.0183 1585 VAL A CA  
1290 C C   . VAL A 96  ? 0.4513 0.2433 0.3268 0.0205  0.0402  -0.0415 1585 VAL A C   
1291 O O   . VAL A 96  ? 0.4526 0.2641 0.3427 -0.0132 0.0188  -0.0350 1585 VAL A O   
1292 C CB  . VAL A 96  ? 0.4305 0.3096 0.3394 0.0373  0.1330  0.0101  1585 VAL A CB  
1293 C CG1 . VAL A 96  ? 0.4788 0.3466 0.3731 -0.0233 0.1042  -0.0224 1585 VAL A CG1 
1294 C CG2 . VAL A 96  ? 0.4460 0.3541 0.3529 0.0654  0.0929  0.0115  1585 VAL A CG2 
1304 N N   . LYS A 97  ? 0.4213 0.2553 0.3169 0.0071  0.0426  -0.0281 1586 LYS A N   
1305 C CA  . LYS A 97  ? 0.4399 0.2732 0.3059 -0.0072 0.0411  -0.0472 1586 LYS A CA  
1306 C C   . LYS A 97  ? 0.4177 0.2706 0.2829 -0.0374 0.0442  -0.0214 1586 LYS A C   
1307 O O   . LYS A 97  ? 0.4381 0.2934 0.3355 -0.0248 0.0494  -0.0181 1586 LYS A O   
1308 C CB  . LYS A 97  ? 0.5068 0.3180 0.3482 -0.0409 0.0547  -0.0744 1586 LYS A CB  
1309 C CG  . LYS A 97  ? 0.5315 0.3346 0.3589 -0.0658 0.0625  -0.0954 1586 LYS A CG  
1310 C CD  . LYS A 97  ? 0.5627 0.4042 0.4041 -0.0669 0.0922  -0.1135 1586 LYS A CD  
1311 C CE  . LYS A 97  ? 0.5631 0.4901 0.4299 -0.0368 0.1343  -0.1006 1586 LYS A CE  
1312 N NZ  . LYS A 97  ? 0.6122 0.5621 0.4682 -0.0009 0.0921  -0.0802 1586 LYS A NZ  
1326 N N   . ALA A 98  ? 0.4170 0.2828 0.2633 -0.0362 0.0405  -0.0284 1587 ALA A N   
1327 C CA  . ALA A 98  ? 0.4024 0.3056 0.2753 -0.0243 0.0136  -0.0374 1587 ALA A CA  
1328 C C   . ALA A 98  ? 0.4056 0.3415 0.2820 -0.0206 0.0012  0.0169  1587 ALA A C   
1329 O O   . ALA A 98  ? 0.4318 0.4411 0.3402 -0.0286 0.0302  0.0474  1587 ALA A O   
1330 C CB  . ALA A 98  ? 0.4087 0.2746 0.2929 -0.0021 -0.0031 -0.0565 1587 ALA A CB  
1336 N N   . VAL A 99  ? 0.4222 0.3462 0.2758 0.0184  -0.0084 -0.0191 1588 VAL A N   
1337 C CA  . VAL A 99  ? 0.4443 0.4011 0.2792 0.0337  -0.0531 -0.0275 1588 VAL A CA  
1338 C C   . VAL A 99  ? 0.4528 0.4034 0.3012 0.0501  -0.0568 -0.0160 1588 VAL A C   
1339 O O   . VAL A 99  ? 0.4326 0.4172 0.2746 0.0112  -0.0730 -0.0168 1588 VAL A O   
1340 C CB  . VAL A 99  ? 0.4980 0.4559 0.3203 0.0138  -0.0589 -0.0838 1588 VAL A CB  
1341 C CG1 . VAL A 99  ? 0.5448 0.4924 0.3066 -0.0110 -0.0233 -0.1186 1588 VAL A CG1 
1342 C CG2 . VAL A 99  ? 0.5174 0.4380 0.3403 -0.0387 -0.0926 -0.1122 1588 VAL A CG2 
1352 N N   . SER A 100 ? 0.4809 0.4413 0.3412 0.1034  -0.0627 -0.0108 1589 SER A N   
1353 C CA  . SER A 100 ? 0.5018 0.4842 0.3690 0.1480  -0.0994 0.0096  1589 SER A CA  
1354 C C   . SER A 100 ? 0.4941 0.5126 0.3916 0.1385  -0.0540 -0.0208 1589 SER A C   
1355 O O   . SER A 100 ? 0.4585 0.5631 0.3820 0.0966  -0.0410 -0.0009 1589 SER A O   
1356 C CB  . SER A 100 ? 0.5846 0.5575 0.4169 0.1510  -0.1134 0.0260  1589 SER A CB  
1357 O OG  . SER A 100 ? 0.6824 0.6267 0.4752 0.1288  -0.0716 0.0525  1589 SER A OG  
1363 N N   . TRP A 101 ? 0.5102 0.5307 0.4362 0.1338  -0.0454 -0.0559 1590 TRP A N   
1364 C CA  . TRP A 101 ? 0.5659 0.6388 0.5079 0.1547  -0.0024 -0.0593 1590 TRP A CA  
1365 C C   . TRP A 101 ? 0.6818 0.6779 0.5501 0.1803  0.0547  -0.0539 1590 TRP A C   
1366 O O   . TRP A 101 ? 0.7726 0.6999 0.5797 0.2026  0.0858  -0.0459 1590 TRP A O   
1367 C CB  . TRP A 101 ? 0.5123 0.7200 0.5447 0.1082  -0.0105 -0.0687 1590 TRP A CB  
1368 C CG  . TRP A 101 ? 0.4765 0.7790 0.5773 0.1067  -0.0261 -0.0738 1590 TRP A CG  
1369 C CD1 . TRP A 101 ? 0.4415 0.7885 0.5920 0.1124  -0.0183 -0.0730 1590 TRP A CD1 
1370 C CD2 . TRP A 101 ? 0.4497 0.7924 0.6133 0.1292  -0.0645 -0.0643 1590 TRP A CD2 
1371 N NE1 . TRP A 101 ? 0.4644 0.8123 0.6158 0.0871  -0.0404 -0.0574 1590 TRP A NE1 
1372 C CE2 . TRP A 101 ? 0.4592 0.8014 0.6256 0.1108  -0.0409 -0.0678 1590 TRP A CE2 
1373 C CE3 . TRP A 101 ? 0.4532 0.7928 0.6236 0.1200  -0.0656 -0.0796 1590 TRP A CE3 
1374 C CZ2 . TRP A 101 ? 0.4933 0.8202 0.6480 0.0723  -0.0169 -0.0714 1590 TRP A CZ2 
1375 C CZ3 . TRP A 101 ? 0.4909 0.8136 0.6500 0.0868  -0.0311 -0.0814 1590 TRP A CZ3 
1376 C CH2 . TRP A 101 ? 0.5049 0.8226 0.6584 0.0700  -0.0119 -0.0803 1590 TRP A CH2 
1387 N N   . SEP B 4   ? 1.0002 1.1871 0.6901 0.1822  0.4410  0.0446  123  SEP C N   
1388 C CA  . SEP B 4   ? 1.0206 1.1922 0.6927 0.1476  0.4245  0.0655  123  SEP C CA  
1389 C CB  . SEP B 4   ? 1.1455 1.3018 0.7219 0.1192  0.4020  0.0801  123  SEP C CB  
1390 O OG  . SEP B 4   ? 1.2602 1.3995 0.7433 0.0834  0.3887  0.1001  123  SEP C OG  
1391 C C   . SEP B 4   ? 0.9324 1.0923 0.6719 0.1449  0.4126  0.0764  123  SEP C C   
1392 O O   . SEP B 4   ? 0.9206 1.0807 0.6732 0.1666  0.4147  0.0600  123  SEP C O   
1393 P P   . SEP B 4   ? 1.3614 1.4817 0.7678 0.0737  0.3601  0.1033  123  SEP C P   
1394 O O1P . SEP B 4   ? 1.3900 1.4996 0.7688 0.0682  0.3566  0.1118  123  SEP C O1P 
1395 O O2P . SEP B 4   ? 1.3771 1.4992 0.7675 0.0723  0.3515  0.1048  123  SEP C O2P 
1396 O O3P . SEP B 4   ? 1.3881 1.4991 0.7775 0.0699  0.3477  0.0988  123  SEP C O3P 
1401 N N   . GLU B 5   ? 0.8580 1.0097 0.6513 0.1259  0.4030  0.0938  124  GLU C N   
1402 C CA  . GLU B 5   ? 0.8134 0.9368 0.6325 0.1241  0.3861  0.1103  124  GLU C CA  
1403 C C   . GLU B 5   ? 0.7093 0.8680 0.5912 0.1220  0.3508  0.0973  124  GLU C C   
1404 O O   . GLU B 5   ? 0.6671 0.8608 0.5852 0.1074  0.3426  0.0929  124  GLU C O   
1405 C CB  . GLU B 5   ? 0.8687 0.9346 0.6523 0.1068  0.3999  0.1411  124  GLU C CB  
1406 C CG  . GLU B 5   ? 0.9161 0.9389 0.6824 0.0736  0.4093  0.1734  124  GLU C CG  
1407 C CD  . GLU B 5   ? 0.9792 0.9568 0.7019 0.0583  0.4086  0.1955  124  GLU C CD  
1408 O OE1 . GLU B 5   ? 0.9951 0.9454 0.6773 0.0648  0.4297  0.2045  124  GLU C OE1 
1409 O OE2 . GLU B 5   ? 1.0146 0.9735 0.7231 0.0511  0.3988  0.2061  124  GLU C OE2 
1416 N N   . PHE B 6   ? 0.6607 0.8188 0.5483 0.1462  0.3211  0.0733  125  PHE C N   
1417 C CA  . PHE B 6   ? 0.6184 0.8079 0.5326 0.1566  0.2825  0.0503  125  PHE C CA  
1418 C C   . PHE B 6   ? 0.6203 0.8253 0.5507 0.1765  0.2608  0.0301  125  PHE C C   
1419 O O   . PHE B 6   ? 0.6334 0.8226 0.5200 0.1669  0.2511  0.0273  125  PHE C O   
1420 C CB  . PHE B 6   ? 0.6075 0.7926 0.5123 0.1463  0.2464  0.0447  125  PHE C CB  
1421 C CG  . PHE B 6   ? 0.5976 0.8013 0.4981 0.1067  0.2099  0.0528  125  PHE C CG  
1422 C CD1 . PHE B 6   ? 0.6263 0.8235 0.5236 0.0934  0.1388  0.0587  125  PHE C CD1 
1423 C CD2 . PHE B 6   ? 0.5861 0.8040 0.4933 0.1106  0.1921  0.0409  125  PHE C CD2 
1424 C CE1 . PHE B 6   ? 0.6230 0.8290 0.5360 0.0774  0.1286  0.0620  125  PHE C CE1 
1425 C CE2 . PHE B 6   ? 0.6050 0.8198 0.5255 0.0925  0.1631  0.0566  125  PHE C CE2 
1426 C CZ  . PHE B 6   ? 0.6105 0.8218 0.5310 0.0796  0.1390  0.0650  125  PHE C CZ  
1436 N N   . GLU B 7   ? 0.6284 0.8607 0.5920 0.1917  0.2510  -0.0071 126  GLU C N   
1437 C CA  . GLU B 7   ? 0.6674 0.8870 0.6414 0.1883  0.2168  -0.0284 126  GLU C CA  
1438 C C   . GLU B 7   ? 0.6438 0.8188 0.6521 0.1725  0.2255  -0.0603 126  GLU C C   
1439 O O   . GLU B 7   ? 0.5912 0.8155 0.6430 0.1731  0.2573  -0.0842 126  GLU C O   
1440 C CB  . GLU B 7   ? 0.7341 0.9903 0.6810 0.1964  0.1674  -0.0186 126  GLU C CB  
1441 C CG  . GLU B 7   ? 0.7983 1.0822 0.7197 0.1935  0.1156  -0.0094 126  GLU C CG  
1442 C CD  . GLU B 7   ? 0.8621 1.1569 0.7558 0.1817  0.0695  -0.0075 126  GLU C CD  
1443 O OE1 . GLU B 7   ? 0.8932 1.1921 0.7687 0.1738  0.0511  -0.0080 126  GLU C OE1 
1444 O OE2 . GLU B 7   ? 0.8736 1.1826 0.7686 0.1769  0.0529  -0.0015 126  GLU C OE2 
1451 N N   . VAL B 8   ? 0.6638 0.7500 0.6644 0.1740  0.2198  -0.0564 127  VAL C N   
1452 C CA  . VAL B 8   ? 0.6399 0.6767 0.6664 0.1919  0.2235  -0.0535 127  VAL C CA  
1453 C C   . VAL B 8   ? 0.6375 0.6541 0.6984 0.2248  0.2220  -0.0591 127  VAL C C   
1454 O O   . VAL B 8   ? 0.6409 0.6503 0.7131 0.2098  0.2366  -0.0651 127  VAL C O   
1458 N N   . VAL B 9   ? 0.6562 0.6646 0.7030 0.2163  0.2118  -0.0602 128  VAL C N   
1459 C CA  . VAL B 9   ? 0.6751 0.6849 0.7071 0.2066  0.1946  -0.0496 128  VAL C CA  
1460 C C   . VAL B 9   ? 0.7106 0.7019 0.7314 0.1851  0.1766  -0.0549 128  VAL C C   
1461 O O   . VAL B 9   ? 0.7325 0.6694 0.7489 0.2129  0.1664  -0.0589 128  VAL C O   
# 
