data_9HSL
# 
_entry.id   9HSL 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_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   9HSL         pdb_00009hsl 10.2210/pdb9hsl/pdb 
WWPDB D_1292144110 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-02-05 
# 
_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                        9HSL 
_pdbx_database_status.recvd_initial_deposition_date   2024-12-19 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          9HSB 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              guichou@cbs.cnrs.fr 
_pdbx_contact_author.name_first         Jean-Francois 
_pdbx_contact_author.name_last          Guichou 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-7699-3235 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Audebert, S.'   1 0000-0003-4914-4438 
'Gelin, M.'      2 0000-0003-1320-8663 
'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
_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                     
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with isonicotinic acid
;
_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 'Audebert, S.'   1 0000-0003-4914-4438 
primary 'Gelin, M.'      2 0000-0003-1320-8663 
primary 'Guichou, J.-F.' 3 0000-0002-7699-3235 
# 
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 'choline-phosphate cytidylyltransferase' 20646.949 1  2.7.7.15 ? ? 'Deletion of a lysine rich loop (720 - 737)' 
2 non-polymer syn 'pyridine-4-carboxylic acid'             123.109   1  ?        ? ? ?                                            
3 water       nat water                                    18.015    62 ?        ? ? ?                                            
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYED
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GHMAVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDN
ETKLFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKEDIYAWLKRAGKFKATQR
TEGVSTTDLIVRILKNYED
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'pyridine-4-carboxylic acid' S3V 
3 water                        HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   HIS n 
1 3   MET n 
1 4   ALA n 
1 5   VAL n 
1 6   PRO n 
1 7   ASP n 
1 8   ASP n 
1 9   ASP n 
1 10  ASP n 
1 11  ASP n 
1 12  ASP n 
1 13  ASP n 
1 14  ASN n 
1 15  SER n 
1 16  ASN n 
1 17  ASP n 
1 18  GLU n 
1 19  SER n 
1 20  GLU n 
1 21  TYR n 
1 22  GLU n 
1 23  SER n 
1 24  SER n 
1 25  GLN n 
1 26  MET n 
1 27  ASP n 
1 28  SER n 
1 29  GLU n 
1 30  LYS n 
1 31  ASN n 
1 32  LYS n 
1 33  GLY n 
1 34  SER n 
1 35  ILE n 
1 36  LYS n 
1 37  ASN n 
1 38  SER n 
1 39  LYS n 
1 40  ASN n 
1 41  VAL n 
1 42  VAL n 
1 43  ILE n 
1 44  TYR n 
1 45  ALA n 
1 46  ASP n 
1 47  GLY n 
1 48  VAL n 
1 49  TYR n 
1 50  ASP n 
1 51  MET n 
1 52  LEU n 
1 53  HIS n 
1 54  LEU n 
1 55  GLY n 
1 56  HIS n 
1 57  MET n 
1 58  LYS n 
1 59  GLN n 
1 60  LEU n 
1 61  GLU n 
1 62  GLN n 
1 63  ALA n 
1 64  LYS n 
1 65  LYS n 
1 66  LEU n 
1 67  PHE n 
1 68  GLU n 
1 69  ASN n 
1 70  THR n 
1 71  THR n 
1 72  LEU n 
1 73  ILE n 
1 74  VAL n 
1 75  GLY n 
1 76  VAL n 
1 77  THR n 
1 78  SER n 
1 79  ASP n 
1 80  ASN n 
1 81  GLU n 
1 82  THR n 
1 83  LYS n 
1 84  LEU n 
1 85  PHE n 
1 86  LYS n 
1 87  GLY n 
1 88  GLN n 
1 89  VAL n 
1 90  VAL n 
1 91  GLN n 
1 92  THR n 
1 93  LEU n 
1 94  GLU n 
1 95  GLU n 
1 96  ARG n 
1 97  THR n 
1 98  GLU n 
1 99  THR n 
1 100 LEU n 
1 101 LYS n 
1 102 HIS n 
1 103 ILE n 
1 104 ARG n 
1 105 TRP n 
1 106 VAL n 
1 107 ASP n 
1 108 GLU n 
1 109 ILE n 
1 110 ILE n 
1 111 SER n 
1 112 PRO n 
1 113 CYS n 
1 114 PRO n 
1 115 TRP n 
1 116 VAL n 
1 117 VAL n 
1 118 THR n 
1 119 PRO n 
1 120 GLU n 
1 121 PHE n 
1 122 LEU n 
1 123 GLU n 
1 124 LYS n 
1 125 TYR n 
1 126 LYS n 
1 127 ILE n 
1 128 ASP n 
1 129 TYR n 
1 130 VAL n 
1 131 ALA n 
1 132 HIS n 
1 133 ASP n 
1 134 ASP n 
1 135 ILE n 
1 136 PRO n 
1 137 TYR n 
1 138 ALA n 
1 139 ASN n 
1 140 ASN n 
1 141 GLN n 
1 142 LYS n 
1 143 GLU n 
1 144 ASP n 
1 145 ILE n 
1 146 TYR n 
1 147 ALA n 
1 148 TRP n 
1 149 LEU n 
1 150 LYS n 
1 151 ARG n 
1 152 ALA n 
1 153 GLY n 
1 154 LYS n 
1 155 PHE n 
1 156 LYS n 
1 157 ALA n 
1 158 THR n 
1 159 GLN n 
1 160 ARG n 
1 161 THR n 
1 162 GLU n 
1 163 GLY n 
1 164 VAL n 
1 165 SER n 
1 166 THR n 
1 167 THR n 
1 168 ASP n 
1 169 LEU n 
1 170 ILE n 
1 171 VAL n 
1 172 ARG n 
1 173 ILE n 
1 174 LEU n 
1 175 LYS n 
1 176 ASN n 
1 177 TYR n 
1 178 GLU n 
1 179 ASP n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   179 
_entity_src_gen.gene_src_common_name               'malaria parasite P. falciparum' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 PF3D7_1316600 
_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      'Plasmodium falciparum' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     5833 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_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          plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
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 
S3V non-polymer         . 'pyridine-4-carboxylic acid' ? 'C6 H5 N O2'     123.109 
SER 'L-peptide linking' y SERINE                       ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE                    ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                   ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                     ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                       ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   578 ?   ?   ?   A . n 
A 1 2   HIS 2   579 ?   ?   ?   A . n 
A 1 3   MET 3   580 ?   ?   ?   A . n 
A 1 4   ALA 4   581 ?   ?   ?   A . n 
A 1 5   VAL 5   582 ?   ?   ?   A . n 
A 1 6   PRO 6   583 ?   ?   ?   A . n 
A 1 7   ASP 7   584 ?   ?   ?   A . n 
A 1 8   ASP 8   585 ?   ?   ?   A . n 
A 1 9   ASP 9   586 ?   ?   ?   A . n 
A 1 10  ASP 10  587 ?   ?   ?   A . n 
A 1 11  ASP 11  588 ?   ?   ?   A . n 
A 1 12  ASP 12  589 ?   ?   ?   A . n 
A 1 13  ASP 13  590 ?   ?   ?   A . n 
A 1 14  ASN 14  591 ?   ?   ?   A . n 
A 1 15  SER 15  592 ?   ?   ?   A . n 
A 1 16  ASN 16  593 ?   ?   ?   A . n 
A 1 17  ASP 17  594 ?   ?   ?   A . n 
A 1 18  GLU 18  595 ?   ?   ?   A . n 
A 1 19  SER 19  596 ?   ?   ?   A . n 
A 1 20  GLU 20  597 ?   ?   ?   A . n 
A 1 21  TYR 21  598 ?   ?   ?   A . n 
A 1 22  GLU 22  599 ?   ?   ?   A . n 
A 1 23  SER 23  600 ?   ?   ?   A . n 
A 1 24  SER 24  601 ?   ?   ?   A . n 
A 1 25  GLN 25  602 ?   ?   ?   A . n 
A 1 26  MET 26  603 ?   ?   ?   A . n 
A 1 27  ASP 27  604 ?   ?   ?   A . n 
A 1 28  SER 28  605 ?   ?   ?   A . n 
A 1 29  GLU 29  606 ?   ?   ?   A . n 
A 1 30  LYS 30  607 ?   ?   ?   A . n 
A 1 31  ASN 31  608 ?   ?   ?   A . n 
A 1 32  LYS 32  609 ?   ?   ?   A . n 
A 1 33  GLY 33  610 ?   ?   ?   A . n 
A 1 34  SER 34  611 ?   ?   ?   A . n 
A 1 35  ILE 35  612 ?   ?   ?   A . n 
A 1 36  LYS 36  613 ?   ?   ?   A . n 
A 1 37  ASN 37  614 ?   ?   ?   A . n 
A 1 38  SER 38  615 ?   ?   ?   A . n 
A 1 39  LYS 39  616 616 LYS LYS A . n 
A 1 40  ASN 40  617 617 ASN ASN A . n 
A 1 41  VAL 41  618 618 VAL VAL A . n 
A 1 42  VAL 42  619 619 VAL VAL A . n 
A 1 43  ILE 43  620 620 ILE ILE A . n 
A 1 44  TYR 44  621 621 TYR TYR A . n 
A 1 45  ALA 45  622 622 ALA ALA A . n 
A 1 46  ASP 46  623 623 ASP ASP A . n 
A 1 47  GLY 47  624 624 GLY GLY A . n 
A 1 48  VAL 48  625 625 VAL VAL A . n 
A 1 49  TYR 49  626 626 TYR TYR A . n 
A 1 50  ASP 50  627 627 ASP ASP A . n 
A 1 51  MET 51  628 628 MET MET A . n 
A 1 52  LEU 52  629 629 LEU LEU A . n 
A 1 53  HIS 53  630 630 HIS HIS A . n 
A 1 54  LEU 54  631 631 LEU LEU A . n 
A 1 55  GLY 55  632 632 GLY GLY A . n 
A 1 56  HIS 56  633 633 HIS HIS A . n 
A 1 57  MET 57  634 634 MET MET A . n 
A 1 58  LYS 58  635 635 LYS LYS A . n 
A 1 59  GLN 59  636 636 GLN GLN A . n 
A 1 60  LEU 60  637 637 LEU LEU A . n 
A 1 61  GLU 61  638 638 GLU GLU A . n 
A 1 62  GLN 62  639 639 GLN GLN A . n 
A 1 63  ALA 63  640 640 ALA ALA A . n 
A 1 64  LYS 64  641 641 LYS LYS A . n 
A 1 65  LYS 65  642 642 LYS LYS A . n 
A 1 66  LEU 66  643 643 LEU LEU A . n 
A 1 67  PHE 67  644 644 PHE PHE A . n 
A 1 68  GLU 68  645 645 GLU GLU A . n 
A 1 69  ASN 69  646 646 ASN ASN A . n 
A 1 70  THR 70  647 647 THR THR A . n 
A 1 71  THR 71  648 648 THR THR A . n 
A 1 72  LEU 72  649 649 LEU LEU A . n 
A 1 73  ILE 73  650 650 ILE ILE A . n 
A 1 74  VAL 74  651 651 VAL VAL A . n 
A 1 75  GLY 75  652 652 GLY GLY A . n 
A 1 76  VAL 76  653 653 VAL VAL A . n 
A 1 77  THR 77  654 654 THR THR A . n 
A 1 78  SER 78  655 655 SER SER A . n 
A 1 79  ASP 79  656 656 ASP ASP A . n 
A 1 80  ASN 80  657 657 ASN ASN A . n 
A 1 81  GLU 81  658 658 GLU GLU A . n 
A 1 82  THR 82  659 659 THR THR A . n 
A 1 83  LYS 83  660 660 LYS LYS A . n 
A 1 84  LEU 84  661 661 LEU LEU A . n 
A 1 85  PHE 85  662 662 PHE PHE A . n 
A 1 86  LYS 86  663 663 LYS LYS A . n 
A 1 87  GLY 87  664 664 GLY GLY A . n 
A 1 88  GLN 88  665 665 GLN GLN A . n 
A 1 89  VAL 89  666 666 VAL VAL A . n 
A 1 90  VAL 90  667 667 VAL VAL A . n 
A 1 91  GLN 91  668 668 GLN GLN A . n 
A 1 92  THR 92  669 669 THR THR A . n 
A 1 93  LEU 93  670 670 LEU LEU A . n 
A 1 94  GLU 94  671 671 GLU GLU A . n 
A 1 95  GLU 95  672 672 GLU GLU A . n 
A 1 96  ARG 96  673 673 ARG ARG A . n 
A 1 97  THR 97  674 674 THR THR A . n 
A 1 98  GLU 98  675 675 GLU GLU A . n 
A 1 99  THR 99  676 676 THR THR A . n 
A 1 100 LEU 100 677 677 LEU LEU A . n 
A 1 101 LYS 101 678 678 LYS LYS A . n 
A 1 102 HIS 102 679 679 HIS HIS A . n 
A 1 103 ILE 103 680 680 ILE ILE A . n 
A 1 104 ARG 104 681 681 ARG ARG A . n 
A 1 105 TRP 105 682 682 TRP TRP A . n 
A 1 106 VAL 106 683 683 VAL VAL A . n 
A 1 107 ASP 107 684 684 ASP ASP A . n 
A 1 108 GLU 108 685 685 GLU GLU A . n 
A 1 109 ILE 109 686 686 ILE ILE A . n 
A 1 110 ILE 110 687 687 ILE ILE A . n 
A 1 111 SER 111 688 688 SER SER A . n 
A 1 112 PRO 112 689 689 PRO PRO A . n 
A 1 113 CYS 113 690 690 CYS CYS A . n 
A 1 114 PRO 114 691 691 PRO PRO A . n 
A 1 115 TRP 115 692 692 TRP TRP A . n 
A 1 116 VAL 116 693 693 VAL VAL A . n 
A 1 117 VAL 117 694 694 VAL VAL A . n 
A 1 118 THR 118 695 695 THR THR A . n 
A 1 119 PRO 119 696 696 PRO PRO A . n 
A 1 120 GLU 120 697 697 GLU GLU A . n 
A 1 121 PHE 121 698 698 PHE PHE A . n 
A 1 122 LEU 122 699 699 LEU LEU A . n 
A 1 123 GLU 123 700 700 GLU GLU A . n 
A 1 124 LYS 124 701 701 LYS LYS A . n 
A 1 125 TYR 125 702 702 TYR TYR A . n 
A 1 126 LYS 126 703 703 LYS LYS A . n 
A 1 127 ILE 127 704 704 ILE ILE A . n 
A 1 128 ASP 128 705 705 ASP ASP A . n 
A 1 129 TYR 129 706 706 TYR TYR A . n 
A 1 130 VAL 130 707 707 VAL VAL A . n 
A 1 131 ALA 131 708 708 ALA ALA A . n 
A 1 132 HIS 132 709 709 HIS HIS A . n 
A 1 133 ASP 133 710 710 ASP ASP A . n 
A 1 134 ASP 134 711 711 ASP ASP A . n 
A 1 135 ILE 135 730 ?   ?   ?   A . n 
A 1 136 PRO 136 731 ?   ?   ?   A . n 
A 1 137 TYR 137 732 ?   ?   ?   A . n 
A 1 138 ALA 138 733 ?   ?   ?   A . n 
A 1 139 ASN 139 734 ?   ?   ?   A . n 
A 1 140 ASN 140 735 ?   ?   ?   A . n 
A 1 141 GLN 141 736 ?   ?   ?   A . n 
A 1 142 LYS 142 737 ?   ?   ?   A . n 
A 1 143 GLU 143 738 ?   ?   ?   A . n 
A 1 144 ASP 144 739 739 ASP ASP A . n 
A 1 145 ILE 145 740 740 ILE ILE A . n 
A 1 146 TYR 146 741 741 TYR TYR A . n 
A 1 147 ALA 147 742 742 ALA ALA A . n 
A 1 148 TRP 148 743 743 TRP TRP A . n 
A 1 149 LEU 149 744 744 LEU LEU A . n 
A 1 150 LYS 150 745 745 LYS LYS A . n 
A 1 151 ARG 151 746 746 ARG ARG A . n 
A 1 152 ALA 152 747 747 ALA ALA A . n 
A 1 153 GLY 153 748 748 GLY GLY A . n 
A 1 154 LYS 154 749 749 LYS LYS A . n 
A 1 155 PHE 155 750 750 PHE PHE A . n 
A 1 156 LYS 156 751 751 LYS LYS A . n 
A 1 157 ALA 157 752 752 ALA ALA A . n 
A 1 158 THR 158 753 753 THR THR A . n 
A 1 159 GLN 159 754 754 GLN GLN A . n 
A 1 160 ARG 160 755 755 ARG ARG A . n 
A 1 161 THR 161 756 756 THR THR A . n 
A 1 162 GLU 162 757 757 GLU GLU A . n 
A 1 163 GLY 163 758 758 GLY GLY A . n 
A 1 164 VAL 164 759 759 VAL VAL A . n 
A 1 165 SER 165 760 760 SER SER A . n 
A 1 166 THR 166 761 761 THR THR A . n 
A 1 167 THR 167 762 762 THR THR A . n 
A 1 168 ASP 168 763 763 ASP ASP A . n 
A 1 169 LEU 169 764 764 LEU LEU A . n 
A 1 170 ILE 170 765 765 ILE ILE A . n 
A 1 171 VAL 171 766 766 VAL VAL A . n 
A 1 172 ARG 172 767 767 ARG ARG A . n 
A 1 173 ILE 173 768 768 ILE ILE A . n 
A 1 174 LEU 174 769 769 LEU LEU A . n 
A 1 175 LYS 175 770 770 LYS LYS A . n 
A 1 176 ASN 176 771 771 ASN ASN A . n 
A 1 177 TYR 177 772 772 TYR TYR A . n 
A 1 178 GLU 178 773 ?   ?   ?   A . n 
A 1 179 ASP 179 774 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        S3V 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   S3V 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 S3V 1  801 801 S3V LIG A . 
C 3 HOH 1  901 70  HOH HOH A . 
C 3 HOH 2  902 74  HOH HOH A . 
C 3 HOH 3  903 6   HOH HOH A . 
C 3 HOH 4  904 8   HOH HOH A . 
C 3 HOH 5  905 31  HOH HOH A . 
C 3 HOH 6  906 19  HOH HOH A . 
C 3 HOH 7  907 67  HOH HOH A . 
C 3 HOH 8  908 35  HOH HOH A . 
C 3 HOH 9  909 14  HOH HOH A . 
C 3 HOH 10 910 34  HOH HOH A . 
C 3 HOH 11 911 12  HOH HOH A . 
C 3 HOH 12 912 43  HOH HOH A . 
C 3 HOH 13 913 2   HOH HOH A . 
C 3 HOH 14 914 25  HOH HOH A . 
C 3 HOH 15 915 33  HOH HOH A . 
C 3 HOH 16 916 27  HOH HOH A . 
C 3 HOH 17 917 20  HOH HOH A . 
C 3 HOH 18 918 23  HOH HOH A . 
C 3 HOH 19 919 66  HOH HOH A . 
C 3 HOH 20 920 26  HOH HOH A . 
C 3 HOH 21 921 42  HOH HOH A . 
C 3 HOH 22 922 37  HOH HOH A . 
C 3 HOH 23 923 44  HOH HOH A . 
C 3 HOH 24 924 57  HOH HOH A . 
C 3 HOH 25 925 7   HOH HOH A . 
C 3 HOH 26 926 69  HOH HOH A . 
C 3 HOH 27 927 28  HOH HOH A . 
C 3 HOH 28 928 15  HOH HOH A . 
C 3 HOH 29 929 71  HOH HOH A . 
C 3 HOH 30 930 5   HOH HOH A . 
C 3 HOH 31 931 36  HOH HOH A . 
C 3 HOH 32 932 56  HOH HOH A . 
C 3 HOH 33 933 24  HOH HOH A . 
C 3 HOH 34 934 45  HOH HOH A . 
C 3 HOH 35 935 60  HOH HOH A . 
C 3 HOH 36 936 18  HOH HOH A . 
C 3 HOH 37 937 38  HOH HOH A . 
C 3 HOH 38 938 10  HOH HOH A . 
C 3 HOH 39 939 48  HOH HOH A . 
C 3 HOH 40 940 11  HOH HOH A . 
C 3 HOH 41 941 54  HOH HOH A . 
C 3 HOH 42 942 3   HOH HOH A . 
C 3 HOH 43 943 30  HOH HOH A . 
C 3 HOH 44 944 73  HOH HOH A . 
C 3 HOH 45 945 41  HOH HOH A . 
C 3 HOH 46 946 58  HOH HOH A . 
C 3 HOH 47 947 1   HOH HOH A . 
C 3 HOH 48 948 17  HOH HOH A . 
C 3 HOH 49 949 13  HOH HOH A . 
C 3 HOH 50 950 50  HOH HOH A . 
C 3 HOH 51 951 46  HOH HOH A . 
C 3 HOH 52 952 68  HOH HOH A . 
C 3 HOH 53 953 21  HOH HOH A . 
C 3 HOH 54 954 53  HOH HOH A . 
C 3 HOH 55 955 9   HOH HOH A . 
C 3 HOH 56 956 40  HOH HOH A . 
C 3 HOH 57 957 47  HOH HOH A . 
C 3 HOH 58 958 39  HOH HOH A . 
C 3 HOH 59 959 22  HOH HOH A . 
C 3 HOH 60 960 75  HOH HOH A . 
C 3 HOH 61 961 16  HOH HOH A . 
C 3 HOH 62 962 72  HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A ASP 711 ? CG  ? A ASP 134 CG  
2 1 Y 1 A ASP 711 ? OD1 ? A ASP 134 OD1 
3 1 Y 1 A ASP 711 ? OD2 ? A ASP 134 OD2 
4 1 Y 1 A LYS 770 ? CG  ? A LYS 175 CG  
5 1 Y 1 A LYS 770 ? CD  ? A LYS 175 CD  
6 1 Y 1 A LYS 770 ? CE  ? A LYS 175 CE  
7 1 Y 1 A LYS 770 ? NZ  ? A LYS 175 NZ  
# 
_software.citation_id            ? 
_software.classification         refinement 
_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                   PHENIX 
_software.os                     ? 
_software.os_version             ? 
_software.type                   ? 
_software.version                1.19.2_4158 
_software.pdbx_ordinal           1 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9HSL 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     50.231 
_cell.length_a_esd                 ? 
_cell.length_b                     70.112 
_cell.length_b_esd                 ? 
_cell.length_c                     119.083 
_cell.length_c_esd                 ? 
_cell.volume                       419386.018 
_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                         9HSL 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                23 
_symmetry.space_group_name_Hall            'I 2 2' 
_symmetry.space_group_name_H-M             'I 2 2 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                   9HSL 
_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             2.54 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          51.56 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'PEG 3350 11.5%, NaF 210 mM, Glycerol 5.8%, MnCl2 15mM, 1,3 propandiol 3%' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-06-10 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.965459 
_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                        'ESRF BEAMLINE MASSIF-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.965459 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MASSIF-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          39.92 
_reflns.entry_id                                       9HSL 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.15 
_reflns.d_resolution_low                               60.42 
_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                                     22042 
_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                           99.6 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          7.9 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.13 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.179 
_reflns.pdbx_Rpim_I_all                                0.072 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.992 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.164 
_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                                    2.15 
_reflns_shell.d_res_low                                     2.21 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           6086 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             938 
_reflns_shell.percent_possible_obs                          96.6 
_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                               6.5 
_reflns_shell.pdbx_chi_squared                              1.06 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     1.3 
_reflns_shell.pdbx_Rrim_I_all                               1.799 
_reflns_shell.pdbx_Rpim_I_all                               0.700 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.546 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.653 
_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                               51.30 
_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                                 9HSL 
_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                            2.15 
_refine.ls_d_res_low                             60.42 
_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                     22042 
_refine.ls_number_reflns_R_free                  1078 
_refine.ls_number_reflns_R_work                  20964 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.90 
_refine.ls_percent_reflns_R_free                 4.89 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2232 
_refine.ls_R_factor_R_free                       0.2920 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2200 
_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                          1.34 
_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       'GeoStd + Monomer Library + CDL v1.2' 
_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             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_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                 36.6227 
_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                            0.3783 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.15 
_refine_hist.d_res_low                        60.42 
_refine_hist.number_atoms_solvent             62 
_refine_hist.number_atoms_total               1131 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1060 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         9 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0071 ? 1090 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.7887 ? 1475 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0513 ? 170  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0052 ? 182  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 6.4607 ? 143  ? f_dihedral_angle_d ? ? 
# 
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' 2.15 2.24  . . 125 2580 97.13 . . . . 0.3337 . . . . . . . . . . . 0.4210 
'X-RAY DIFFRACTION' 2.24 2.36  . . 149 2612 99.42 . . . . 0.2983 . . . . . . . . . . . 0.3471 
'X-RAY DIFFRACTION' 2.36 2.51  . . 165 2639 99.64 . . . . 0.2740 . . . . . . . . . . . 0.3507 
'X-RAY DIFFRACTION' 2.51 2.70  . . 130 2632 99.39 . . . . 0.2532 . . . . . . . . . . . 0.3208 
'X-RAY DIFFRACTION' 2.70 2.97  . . 159 2575 98.88 . . . . 0.2738 . . . . . . . . . . . 0.2888 
'X-RAY DIFFRACTION' 2.98 3.40  . . 111 2646 99.21 . . . . 0.2205 . . . . . . . . . . . 0.2762 
'X-RAY DIFFRACTION' 3.41 4.29  . . 137 2628 99.07 . . . . 0.1947 . . . . . . . . . . . 0.2627 
'X-RAY DIFFRACTION' 4.29 60.42 . . 102 2652 98.50 . . . . 0.1755 . . . . . . . . . . . 0.2771 
# 
_struct.entry_id                     9HSL 
_struct.title                        
;Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with isonicotinic acid
;
_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        9HSL 
_struct_keywords.text            'Transferase, CCT' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q8IEE9_PLAF7 
_struct_ref.pdbx_db_accession          Q8IEE9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AVPDDDDDDDNSNDESEYESSQMDSEKNKGSIKNSKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETK
LFKGQVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIPYANNQKKKKKKKSKGKSFSFDEENEDI
YAWLKRAGKFKATQRTEGVSTTDLIVRILKNYED
;
_struct_ref.pdbx_align_begin           581 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HSL 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 4 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 179 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q8IEE9 
_struct_ref_seq.db_align_beg                  581 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  774 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       581 
_struct_ref_seq.pdbx_auth_seq_align_end       774 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9HSL GLY A 1 ? UNP Q8IEE9 ?   ?   'expression tag' 578 1  
1 9HSL HIS A 2 ? UNP Q8IEE9 ?   ?   'expression tag' 579 2  
1 9HSL MET A 3 ? UNP Q8IEE9 ?   ?   'expression tag' 580 3  
1 9HSL ?   A ? ? UNP Q8IEE9 LYS 720 deletion         ?   4  
1 9HSL ?   A ? ? UNP Q8IEE9 LYS 721 deletion         ?   5  
1 9HSL ?   A ? ? UNP Q8IEE9 LYS 722 deletion         ?   6  
1 9HSL ?   A ? ? UNP Q8IEE9 LYS 723 deletion         ?   7  
1 9HSL ?   A ? ? UNP Q8IEE9 LYS 724 deletion         ?   8  
1 9HSL ?   A ? ? UNP Q8IEE9 LYS 725 deletion         ?   9  
1 9HSL ?   A ? ? UNP Q8IEE9 SER 726 deletion         ?   10 
1 9HSL ?   A ? ? UNP Q8IEE9 LYS 727 deletion         ?   11 
1 9HSL ?   A ? ? UNP Q8IEE9 GLY 728 deletion         ?   12 
1 9HSL ?   A ? ? UNP Q8IEE9 LYS 729 deletion         ?   13 
1 9HSL ?   A ? ? UNP Q8IEE9 SER 730 deletion         ?   14 
1 9HSL ?   A ? ? UNP Q8IEE9 PHE 731 deletion         ?   15 
1 9HSL ?   A ? ? UNP Q8IEE9 SER 732 deletion         ?   16 
1 9HSL ?   A ? ? UNP Q8IEE9 PHE 733 deletion         ?   17 
1 9HSL ?   A ? ? UNP Q8IEE9 ASP 734 deletion         ?   18 
1 9HSL ?   A ? ? UNP Q8IEE9 GLU 735 deletion         ?   19 
1 9HSL ?   A ? ? UNP Q8IEE9 GLU 736 deletion         ?   20 
1 9HSL ?   A ? ? UNP Q8IEE9 ASN 737 deletion         ?   21 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_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)' 2050  ? 
1 MORE         -6    ? 
1 'SSA (A^2)'  13880 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                Dimeric 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  
0.0000000000 0.0000000000   0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_545 -x,-y-1,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 
0.0000000000 -70.1120000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 53  ? LYS A 65  ? HIS A 630 LYS A 642 1 ? 13 
HELX_P HELX_P2 AA2 SER A 78  ? LYS A 86  ? SER A 655 LYS A 663 1 ? 9  
HELX_P HELX_P3 AA3 THR A 92  ? HIS A 102 ? THR A 669 HIS A 679 1 ? 11 
HELX_P HELX_P4 AA4 THR A 118 ? LYS A 126 ? THR A 695 LYS A 703 1 ? 9  
HELX_P HELX_P5 AA5 TYR A 146 ? GLY A 153 ? TYR A 741 GLY A 748 1 ? 8  
HELX_P HELX_P6 AA6 SER A 165 ? LYS A 175 ? SER A 760 LYS A 770 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           111 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            688 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    112 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     689 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -3.48 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   5 
_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 ? parallel 
AA1 2 3 ? parallel 
AA1 3 4 ? parallel 
AA1 4 5 ? parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLU A 108 ? CYS A 113 ? GLU A 685 CYS A 690 
AA1 2 THR A 70  ? THR A 77  ? THR A 647 THR A 654 
AA1 3 VAL A 41  ? GLY A 47  ? VAL A 618 GLY A 624 
AA1 4 TYR A 129 ? HIS A 132 ? TYR A 706 HIS A 709 
AA1 5 PHE A 155 ? ALA A 157 ? PHE A 750 ALA A 752 
# 
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 ILE A 110 ? O ILE A 687 N VAL A 74  ? N VAL A 651 
AA1 2 3 O ILE A 73  ? O ILE A 650 N ILE A 43  ? N ILE A 620 
AA1 3 4 N TYR A 44  ? N TYR A 621 O ALA A 131 ? O ALA A 708 
AA1 4 5 N VAL A 130 ? N VAL A 707 O LYS A 156 ? O LYS A 751 
# 
_pdbx_entry_details.entry_id                   9HSL 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OD2 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   ASP 
_pdbx_validate_close_contact.auth_seq_id_1    710 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   NH2 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   ARG 
_pdbx_validate_close_contact.auth_seq_id_2    755 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.07 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 LYS A 663 ? ? -94.37 -66.80 
2 1 LYS A 770 ? ? -63.00 4.85   
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z               
2 x,-y,-z             
3 -x,y,-z             
4 -x,-y,z             
5 x+1/2,y+1/2,z+1/2   
6 x+1/2,-y+1/2,-z+1/2 
7 -x+1/2,y+1/2,-z+1/2 
8 -x+1/2,-y+1/2,z+1/2 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -2.44393858934 -22.3043404031 -23.4711105265 0.251046813676 ? -0.018066648384  ? 0.0458308363904   
? 0.336275421452 ? -0.0274062057456 ? 0.290148402773 ? 5.10016067595 ? -0.612793558021 ? 1.14564588133 ? 4.13275038629 ? 
-0.681653492439 ? 3.03951974397 ? 0.0099735857927  ? -0.074912497143 ? 0.137998931077  ? 0.163831867479 ? -0.0836779373341 ? 
-0.0299919023456 ? -0.0583556211884 ? -0.00400465214178 ? 0.0700789416321  ? 
2 'X-RAY DIFFRACTION' ? refined -13.5945458304 -18.3394185855 -24.2004030992 0.413687819454 ? -0.0072820262318 ? -0.00821810309555 
? 0.578960585264 ? -0.0967405697106 ? 0.447816461155 ? 4.9069177407  ? -3.51287030535  ? 2.62539372123 ? 7.18372916371 ? 
-1.52665557749  ? 1.41533881914 ? -0.161997158519  ? -0.634595506679 ? -0.102534000699 ? 0.839772675317 ? 0.223683618655   ? 
0.523241194064   ? -0.16612218663   ? -0.384986104119   ? -0.0279092590342 ? 
3 'X-RAY DIFFRACTION' ? refined -5.28757385499 -39.4383052059 -2.66624298785 1.01329897458  ? -0.248947449008  ? 0.0774385931019   
? 0.782294486449 ? -0.216741526493  ? 0.65884526305  ? 6.00133273367 ? 0.640696066374  ? 3.69270270216 ? 1.44342534965 ? 
2.40582481207   ? 5.23866700396 ? -0.0659376227806 ? -0.977297188802 ? 0.243683744918  ? 0.985760911217 ? 0.0527761074595  ? 
-0.755256047067  ? 1.27349235013    ? -1.08860238651    ? 0.0342361302058  ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 A 1   A 616 ? A 87  A 702 ? ? 
;chain 'A' and (resid 616 through 702 )
;
2 'X-RAY DIFFRACTION' 2 A 88  A 703 ? A 118 A 760 ? ? 
;chain 'A' and (resid 703 through 760 )
;
3 'X-RAY DIFFRACTION' 3 A 119 A 761 ? A 130 A 772 ? ? 
;chain 'A' and (resid 761 through 772 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 578 ? A GLY 1   
2  1 Y 1 A HIS 579 ? A HIS 2   
3  1 Y 1 A MET 580 ? A MET 3   
4  1 Y 1 A ALA 581 ? A ALA 4   
5  1 Y 1 A VAL 582 ? A VAL 5   
6  1 Y 1 A PRO 583 ? A PRO 6   
7  1 Y 1 A ASP 584 ? A ASP 7   
8  1 Y 1 A ASP 585 ? A ASP 8   
9  1 Y 1 A ASP 586 ? A ASP 9   
10 1 Y 1 A ASP 587 ? A ASP 10  
11 1 Y 1 A ASP 588 ? A ASP 11  
12 1 Y 1 A ASP 589 ? A ASP 12  
13 1 Y 1 A ASP 590 ? A ASP 13  
14 1 Y 1 A ASN 591 ? A ASN 14  
15 1 Y 1 A SER 592 ? A SER 15  
16 1 Y 1 A ASN 593 ? A ASN 16  
17 1 Y 1 A ASP 594 ? A ASP 17  
18 1 Y 1 A GLU 595 ? A GLU 18  
19 1 Y 1 A SER 596 ? A SER 19  
20 1 Y 1 A GLU 597 ? A GLU 20  
21 1 Y 1 A TYR 598 ? A TYR 21  
22 1 Y 1 A GLU 599 ? A GLU 22  
23 1 Y 1 A SER 600 ? A SER 23  
24 1 Y 1 A SER 601 ? A SER 24  
25 1 Y 1 A GLN 602 ? A GLN 25  
26 1 Y 1 A MET 603 ? A MET 26  
27 1 Y 1 A ASP 604 ? A ASP 27  
28 1 Y 1 A SER 605 ? A SER 28  
29 1 Y 1 A GLU 606 ? A GLU 29  
30 1 Y 1 A LYS 607 ? A LYS 30  
31 1 Y 1 A ASN 608 ? A ASN 31  
32 1 Y 1 A LYS 609 ? A LYS 32  
33 1 Y 1 A GLY 610 ? A GLY 33  
34 1 Y 1 A SER 611 ? A SER 34  
35 1 Y 1 A ILE 612 ? A ILE 35  
36 1 Y 1 A LYS 613 ? A LYS 36  
37 1 Y 1 A ASN 614 ? A ASN 37  
38 1 Y 1 A SER 615 ? A SER 38  
39 1 Y 1 A ILE 730 ? A ILE 135 
40 1 Y 1 A PRO 731 ? A PRO 136 
41 1 Y 1 A TYR 732 ? A TYR 137 
42 1 Y 1 A ALA 733 ? A ALA 138 
43 1 Y 1 A ASN 734 ? A ASN 139 
44 1 Y 1 A ASN 735 ? A ASN 140 
45 1 Y 1 A GLN 736 ? A GLN 141 
46 1 Y 1 A LYS 737 ? A LYS 142 
47 1 Y 1 A GLU 738 ? A GLU 143 
48 1 Y 1 A GLU 773 ? A GLU 178 
49 1 Y 1 A ASP 774 ? A ASP 179 
# 
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 
S3V C4   C Y N 290 
S3V C5   C N N 291 
S3V N    N Y N 292 
S3V C    C Y N 293 
S3V O    O N N 294 
S3V C1   C Y N 295 
S3V C2   C Y N 296 
S3V C3   C Y N 297 
S3V O1   O N N 298 
S3V H1   H N N 299 
S3V H2   H N N 300 
S3V H3   H N N 301 
S3V H4   H N N 302 
S3V H5   H N N 303 
SER N    N N N 304 
SER CA   C N S 305 
SER C    C N N 306 
SER O    O N N 307 
SER CB   C N N 308 
SER OG   O N N 309 
SER OXT  O N N 310 
SER H    H N N 311 
SER H2   H N N 312 
SER HA   H N N 313 
SER HB2  H N N 314 
SER HB3  H N N 315 
SER HG   H N N 316 
SER HXT  H N N 317 
THR N    N N N 318 
THR CA   C N S 319 
THR C    C N N 320 
THR O    O N N 321 
THR CB   C N R 322 
THR OG1  O N N 323 
THR CG2  C N N 324 
THR OXT  O N N 325 
THR H    H N N 326 
THR H2   H N N 327 
THR HA   H N N 328 
THR HB   H N N 329 
THR HG1  H N N 330 
THR HG21 H N N 331 
THR HG22 H N N 332 
THR HG23 H N N 333 
THR HXT  H N N 334 
TRP N    N N N 335 
TRP CA   C N S 336 
TRP C    C N N 337 
TRP O    O N N 338 
TRP CB   C N N 339 
TRP CG   C Y N 340 
TRP CD1  C Y N 341 
TRP CD2  C Y N 342 
TRP NE1  N Y N 343 
TRP CE2  C Y N 344 
TRP CE3  C Y N 345 
TRP CZ2  C Y N 346 
TRP CZ3  C Y N 347 
TRP CH2  C Y N 348 
TRP OXT  O N N 349 
TRP H    H N N 350 
TRP H2   H N N 351 
TRP HA   H N N 352 
TRP HB2  H N N 353 
TRP HB3  H N N 354 
TRP HD1  H N N 355 
TRP HE1  H N N 356 
TRP HE3  H N N 357 
TRP HZ2  H N N 358 
TRP HZ3  H N N 359 
TRP HH2  H N N 360 
TRP HXT  H N N 361 
TYR N    N N N 362 
TYR CA   C N S 363 
TYR C    C N N 364 
TYR O    O N N 365 
TYR CB   C N N 366 
TYR CG   C Y N 367 
TYR CD1  C Y N 368 
TYR CD2  C Y N 369 
TYR CE1  C Y N 370 
TYR CE2  C Y N 371 
TYR CZ   C Y N 372 
TYR OH   O N N 373 
TYR OXT  O N N 374 
TYR H    H N N 375 
TYR H2   H N N 376 
TYR HA   H N N 377 
TYR HB2  H N N 378 
TYR HB3  H N N 379 
TYR HD1  H N N 380 
TYR HD2  H N N 381 
TYR HE1  H N N 382 
TYR HE2  H N N 383 
TYR HH   H N N 384 
TYR HXT  H N N 385 
VAL N    N N N 386 
VAL CA   C N S 387 
VAL C    C N N 388 
VAL O    O N N 389 
VAL CB   C N N 390 
VAL CG1  C N N 391 
VAL CG2  C N N 392 
VAL OXT  O N N 393 
VAL H    H N N 394 
VAL H2   H N N 395 
VAL HA   H N N 396 
VAL HB   H N N 397 
VAL HG11 H N N 398 
VAL HG12 H N N 399 
VAL HG13 H N N 400 
VAL HG21 H N N 401 
VAL HG22 H N N 402 
VAL HG23 H N N 403 
VAL HXT  H N N 404 
# 
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 
S3V N   C1   doub Y N 277 
S3V N   C2   sing Y N 278 
S3V C1  C    sing Y N 279 
S3V C2  C3   doub Y N 280 
S3V C   C4   doub Y N 281 
S3V C3  C4   sing Y N 282 
S3V C4  C5   sing N N 283 
S3V O   C5   doub N N 284 
S3V C5  O1   sing N N 285 
S3V C   H1   sing N N 286 
S3V C1  H2   sing N N 287 
S3V C2  H3   sing N N 288 
S3V C3  H4   sing N N 289 
S3V O1  H5   sing N N 290 
SER N   CA   sing N N 291 
SER N   H    sing N N 292 
SER N   H2   sing N N 293 
SER CA  C    sing N N 294 
SER CA  CB   sing N N 295 
SER CA  HA   sing N N 296 
SER C   O    doub N N 297 
SER C   OXT  sing N N 298 
SER CB  OG   sing N N 299 
SER CB  HB2  sing N N 300 
SER CB  HB3  sing N N 301 
SER OG  HG   sing N N 302 
SER OXT HXT  sing N N 303 
THR N   CA   sing N N 304 
THR N   H    sing N N 305 
THR N   H2   sing N N 306 
THR CA  C    sing N N 307 
THR CA  CB   sing N N 308 
THR CA  HA   sing N N 309 
THR C   O    doub N N 310 
THR C   OXT  sing N N 311 
THR CB  OG1  sing N N 312 
THR CB  CG2  sing N N 313 
THR CB  HB   sing N N 314 
THR OG1 HG1  sing N N 315 
THR CG2 HG21 sing N N 316 
THR CG2 HG22 sing N N 317 
THR CG2 HG23 sing N N 318 
THR OXT HXT  sing N N 319 
TRP N   CA   sing N N 320 
TRP N   H    sing N N 321 
TRP N   H2   sing N N 322 
TRP CA  C    sing N N 323 
TRP CA  CB   sing N N 324 
TRP CA  HA   sing N N 325 
TRP C   O    doub N N 326 
TRP C   OXT  sing N N 327 
TRP CB  CG   sing N N 328 
TRP CB  HB2  sing N N 329 
TRP CB  HB3  sing N N 330 
TRP CG  CD1  doub Y N 331 
TRP CG  CD2  sing Y N 332 
TRP CD1 NE1  sing Y N 333 
TRP CD1 HD1  sing N N 334 
TRP CD2 CE2  doub Y N 335 
TRP CD2 CE3  sing Y N 336 
TRP NE1 CE2  sing Y N 337 
TRP NE1 HE1  sing N N 338 
TRP CE2 CZ2  sing Y N 339 
TRP CE3 CZ3  doub Y N 340 
TRP CE3 HE3  sing N N 341 
TRP CZ2 CH2  doub Y N 342 
TRP CZ2 HZ2  sing N N 343 
TRP CZ3 CH2  sing Y N 344 
TRP CZ3 HZ3  sing N N 345 
TRP CH2 HH2  sing N N 346 
TRP OXT HXT  sing N N 347 
TYR N   CA   sing N N 348 
TYR N   H    sing N N 349 
TYR N   H2   sing N N 350 
TYR CA  C    sing N N 351 
TYR CA  CB   sing N N 352 
TYR CA  HA   sing N N 353 
TYR C   O    doub N N 354 
TYR C   OXT  sing N N 355 
TYR CB  CG   sing N N 356 
TYR CB  HB2  sing N N 357 
TYR CB  HB3  sing N N 358 
TYR CG  CD1  doub Y N 359 
TYR CG  CD2  sing Y N 360 
TYR CD1 CE1  sing Y N 361 
TYR CD1 HD1  sing N N 362 
TYR CD2 CE2  doub Y N 363 
TYR CD2 HD2  sing N N 364 
TYR CE1 CZ   doub Y N 365 
TYR CE1 HE1  sing N N 366 
TYR CE2 CZ   sing Y N 367 
TYR CE2 HE2  sing N N 368 
TYR CZ  OH   sing N N 369 
TYR OH  HH   sing N N 370 
TYR OXT HXT  sing N N 371 
VAL N   CA   sing N N 372 
VAL N   H    sing N N 373 
VAL N   H2   sing N N 374 
VAL CA  C    sing N N 375 
VAL CA  CB   sing N N 376 
VAL CA  HA   sing N N 377 
VAL C   O    doub N N 378 
VAL C   OXT  sing N N 379 
VAL CB  CG1  sing N N 380 
VAL CB  CG2  sing N N 381 
VAL CB  HB   sing N N 382 
VAL CG1 HG11 sing N N 383 
VAL CG1 HG12 sing N N 384 
VAL CG1 HG13 sing N N 385 
VAL CG2 HG21 sing N N 386 
VAL CG2 HG22 sing N N 387 
VAL CG2 HG23 sing N N 388 
VAL OXT HXT  sing N N 389 
# 
_pdbx_audit_support.funding_organization   'Agence Nationale de la Recherche (ANR)' 
_pdbx_audit_support.country                France 
_pdbx_audit_support.grant_number           ANR-20-CE44-0012 
_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   4ZCS 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'I 2 2 2' 
_space_group.name_Hall        'I 2 2' 
_space_group.IT_number        23 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9HSL 
_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]   0.019908 
_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]   0.014263 
_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]   0.008398 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C   ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H   ? ? 0.51345 0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N   ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O   ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O1- ? ? 5.12366 3.84317 ? ? 3.49406  27.47979 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S   ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
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   . LYS A 1 39  ? -9.40574  -21.65982 -45.05659 1.000 68.89035  ?  616 LYS A N   1 
ATOM   2    C CA  . LYS A 1 39  ? -10.10837 -22.63863 -44.23644 1.000 63.87272  ?  616 LYS A CA  1 
ATOM   3    C C   . LYS A 1 39  ? -9.53659  -22.70033 -42.82662 1.000 56.65195  ?  616 LYS A C   1 
ATOM   4    O O   . LYS A 1 39  ? -10.26425 -22.88837 -41.85463 1.000 57.66670  ?  616 LYS A O   1 
ATOM   5    C CB  . LYS A 1 39  ? -10.04809 -24.02573 -44.88160 1.000 65.66294  ?  616 LYS A CB  1 
ATOM   6    C CG  . LYS A 1 39  ? -11.40164 -24.68575 -45.05769 1.000 71.40709  ?  616 LYS A CG  1 
ATOM   7    C CD  . LYS A 1 39  ? -11.24822 -26.06923 -45.65515 1.000 79.16739  ?  616 LYS A CD  1 
ATOM   8    C CE  . LYS A 1 39  ? -10.51642 -26.00289 -46.98710 1.000 84.33124  ?  616 LYS A CE  1 
ATOM   9    N NZ  . LYS A 1 39  ? -10.48800 -27.31004 -47.70217 1.000 93.54461  ?  616 LYS A NZ  1 
ATOM   10   N N   . ASN A 1 40  ? -8.22758  -22.54163 -42.69813 1.000 51.54012  ?  617 ASN A N   1 
ATOM   11   C CA  . ASN A 1 40  ? -7.60207  -22.76887 -41.40400 1.000 47.55760  ?  617 ASN A CA  1 
ATOM   12   C C   . ASN A 1 40  ? -7.95292  -21.66166 -40.40683 1.000 47.55725  ?  617 ASN A C   1 
ATOM   13   O O   . ASN A 1 40  ? -7.73795  -20.47447 -40.67044 1.000 48.37600  ?  617 ASN A O   1 
ATOM   14   C CB  . ASN A 1 40  ? -6.09524  -22.88373 -41.55909 1.000 46.76199  ?  617 ASN A CB  1 
ATOM   15   C CG  . ASN A 1 40  ? -5.44067  -23.35319 -40.29244 1.000 46.84183  ?  617 ASN A CG  1 
ATOM   16   O OD1 . ASN A 1 40  ? -5.50620  -24.53478 -39.94035 1.000 50.39409  ?  617 ASN A OD1 1 
ATOM   17   N ND2 . ASN A 1 40  ? -4.84681  -22.42218 -39.56554 1.000 44.91466  ?  617 ASN A ND2 1 
ATOM   18   N N   . VAL A 1 41  ? -8.47503  -22.05816 -39.24601 1.000 42.52519  ?  618 VAL A N   1 
ATOM   19   C CA  . VAL A 1 41  ? -8.97631  -21.13582 -38.23261 1.000 40.10835  ?  618 VAL A CA  1 
ATOM   20   C C   . VAL A 1 41  ? -8.00835  -21.13948 -37.05710 1.000 37.63983  ?  618 VAL A C   1 
ATOM   21   O O   . VAL A 1 41  ? -7.71218  -22.20812 -36.50321 1.000 37.77896  ?  618 VAL A O   1 
ATOM   22   C CB  . VAL A 1 41  ? -10.38844 -21.53959 -37.76399 1.000 39.81569  ?  618 VAL A CB  1 
ATOM   23   C CG1 . VAL A 1 41  ? -10.91085 -20.54391 -36.75549 1.000 36.56859  ?  618 VAL A CG1 1 
ATOM   24   C CG2 . VAL A 1 41  ? -11.33962 -21.67340 -38.95310 1.000 41.91885  ?  618 VAL A CG2 1 
ATOM   25   N N   . VAL A 1 42  ? -7.55903  -19.95467 -36.64016 1.000 34.59240  ?  619 VAL A N   1 
ATOM   26   C CA  . VAL A 1 42  ? -6.59993  -19.84281 -35.53822 1.000 37.82326  ?  619 VAL A CA  1 
ATOM   27   C C   . VAL A 1 42  ? -7.34442  -19.67223 -34.22220 1.000 36.08218  ?  619 VAL A C   1 
ATOM   28   O O   . VAL A 1 42  ? -8.07383  -18.68907 -34.03223 1.000 36.97640  ?  619 VAL A O   1 
ATOM   29   C CB  . VAL A 1 42  ? -5.61354  -18.68391 -35.75234 1.000 36.48659  ?  619 VAL A CB  1 
ATOM   30   C CG1 . VAL A 1 42  ? -4.67229  -18.59659 -34.56567 1.000 32.32308  ?  619 VAL A CG1 1 
ATOM   31   C CG2 . VAL A 1 42  ? -4.84973  -18.85669 -37.05087 1.000 39.11745  ?  619 VAL A CG2 1 
ATOM   32   N N   . ILE A 1 43  ? -7.11688  -20.60592 -33.29735 1.000 35.55723  ?  620 ILE A N   1 
ATOM   33   C CA  . ILE A 1 43  ? -7.75185  -20.62980 -31.97936 1.000 32.99864  ?  620 ILE A CA  1 
ATOM   34   C C   . ILE A 1 43  ? -6.69662  -20.35249 -30.92178 1.000 36.51137  ?  620 ILE A C   1 
ATOM   35   O O   . ILE A 1 43  ? -5.58473  -20.89241 -30.98720 1.000 34.60103  ?  620 ILE A O   1 
ATOM   36   C CB  . ILE A 1 43  ? -8.41274  -21.99636 -31.71722 1.000 34.31120  ?  620 ILE A CB  1 
ATOM   37   C CG1 . ILE A 1 43  ? -9.35180  -22.38536 -32.87293 1.000 37.84150  ?  620 ILE A CG1 1 
ATOM   38   C CG2 . ILE A 1 43  ? -9.06859  -22.04266 -30.34273 1.000 31.66406  ?  620 ILE A CG2 1 
ATOM   39   C CD1 . ILE A 1 43  ? -10.32756 -21.31957 -33.25589 1.000 36.78146  ?  620 ILE A CD1 1 
ATOM   40   N N   . TYR A 1 44  ? -7.04268  -19.52517 -29.94155 1.000 36.00705  ?  621 TYR A N   1 
ATOM   41   C CA  . TYR A 1 44  ? -6.13683  -19.18892 -28.84877 1.000 35.75845  ?  621 TYR A CA  1 
ATOM   42   C C   . TYR A 1 44  ? -6.78148  -19.61606 -27.53801 1.000 38.82771  ?  621 TYR A C   1 
ATOM   43   O O   . TYR A 1 44  ? -7.91243  -19.20906 -27.23971 1.000 36.31250  ?  621 TYR A O   1 
ATOM   44   C CB  . TYR A 1 44  ? -5.83158  -17.69296 -28.83199 1.000 32.41598  ?  621 TYR A CB  1 
ATOM   45   C CG  . TYR A 1 44  ? -4.95264  -17.28466 -27.68314 1.000 38.55082  ?  621 TYR A CG  1 
ATOM   46   C CD1 . TYR A 1 44  ? -3.59345  -17.59743 -27.67855 1.000 35.14465  ?  621 TYR A CD1 1 
ATOM   47   C CD2 . TYR A 1 44  ? -5.47419  -16.59451 -26.59178 1.000 36.58023  ?  621 TYR A CD2 1 
ATOM   48   C CE1 . TYR A 1 44  ? -2.77340  -17.22800 -26.61521 1.000 32.09818  ?  621 TYR A CE1 1 
ATOM   49   C CE2 . TYR A 1 44  ? -4.67024  -16.21267 -25.53474 1.000 37.05667  ?  621 TYR A CE2 1 
ATOM   50   C CZ  . TYR A 1 44  ? -3.31118  -16.53282 -25.55610 1.000 41.25193  ?  621 TYR A CZ  1 
ATOM   51   O OH  . TYR A 1 44  ? -2.49933  -16.16926 -24.51556 1.000 39.71637  ?  621 TYR A OH  1 
ATOM   52   N N   . ALA A 1 45  ? -6.07292  -20.44081 -26.76927 1.000 35.66123  ?  622 ALA A N   1 
ATOM   53   C CA  . ALA A 1 45  ? -6.54790  -20.93161 -25.47413 1.000 37.09151  ?  622 ALA A CA  1 
ATOM   54   C C   . ALA A 1 45  ? -5.46890  -20.64495 -24.44483 1.000 39.62748  ?  622 ALA A C   1 
ATOM   55   O O   . ALA A 1 45  ? -4.37838  -21.21802 -24.51660 1.000 39.95060  ?  622 ALA A O   1 
ATOM   56   C CB  . ALA A 1 45  ? -6.85066  -22.43062 -25.51334 1.000 34.04178  ?  622 ALA A CB  1 
ATOM   57   N N   . ASP A 1 46  ? -5.74816  -19.76766 -23.49494 1.000 36.87891  ?  623 ASP A N   1 
ATOM   58   C CA  . ASP A 1 46  ? -4.74493  -19.45794 -22.49284 1.000 39.84337  ?  623 ASP A CA  1 
ATOM   59   C C   . ASP A 1 46  ? -5.14940  -20.05920 -21.15641 1.000 44.95108  ?  623 ASP A C   1 
ATOM   60   O O   . ASP A 1 46  ? -6.31175  -20.41276 -20.93619 1.000 42.44479  ?  623 ASP A O   1 
ATOM   61   C CB  . ASP A 1 46  ? -4.53411  -17.94970 -22.36596 1.000 39.67102  ?  623 ASP A CB  1 
ATOM   62   C CG  . ASP A 1 46  ? -5.80612  -17.21049 -22.00496 1.000 47.29016  ?  623 ASP A CG  1 
ATOM   63   O OD1 . ASP A 1 46  ? -6.79111  -17.86538 -21.57116 1.000 51.02328  ?  623 ASP A OD1 1 
ATOM   64   O OD2 . ASP A 1 46  ? -5.80996  -15.96438 -22.12665 1.000 42.60357  ?  623 ASP A OD2 1 
ATOM   65   N N   . GLY A 1 47  ? -4.16590  -20.19688 -20.27560 1.000 40.56876  ?  624 GLY A N   1 
ATOM   66   C CA  . GLY A 1 47  ? -4.43041  -20.67571 -18.93166 1.000 43.51454  ?  624 GLY A CA  1 
ATOM   67   C C   . GLY A 1 47  ? -3.13863  -20.84124 -18.15978 1.000 41.52573  ?  624 GLY A C   1 
ATOM   68   O O   . GLY A 1 47  ? -2.03744  -20.59229 -18.67221 1.000 37.85801  ?  624 GLY A O   1 
ATOM   69   N N   . VAL A 1 48  ? -3.29150  -21.24883 -16.90164 1.000 39.21559  ?  625 VAL A N   1 
ATOM   70   C CA  . VAL A 1 48  ? -2.10827  -21.51275 -16.09351 1.000 40.08938  ?  625 VAL A CA  1 
ATOM   71   C C   . VAL A 1 48  ? -1.49753  -22.84791 -16.50053 1.000 41.36102  ?  625 VAL A C   1 
ATOM   72   O O   . VAL A 1 48  ? -0.27044  -22.97621 -16.60194 1.000 37.21566  ?  625 VAL A O   1 
ATOM   73   C CB  . VAL A 1 48  ? -2.45817  -21.46236 -14.59060 1.000 42.41087  ?  625 VAL A CB  1 
ATOM   74   C CG1 . VAL A 1 48  ? -1.17666  -21.57639 -13.71524 1.000 40.98383  ?  625 VAL A CG1 1 
ATOM   75   C CG2 . VAL A 1 48  ? -3.21098  -20.18736 -14.26147 1.000 40.86642  ?  625 VAL A CG2 1 
ATOM   76   N N   . TYR A 1 49  ? -2.35291  -23.83504 -16.80333 1.000 35.74657  ?  626 TYR A N   1 
ATOM   77   C CA  . TYR A 1 49  ? -1.92684  -25.19428 -17.12539 1.000 37.50514  ?  626 TYR A CA  1 
ATOM   78   C C   . TYR A 1 49  ? -0.95254  -25.72812 -16.07906 1.000 40.44496  ?  626 TYR A C   1 
ATOM   79   O O   . TYR A 1 49  ? 0.08310   -26.31479 -16.39609 1.000 39.28286  ?  626 TYR A O   1 
ATOM   80   C CB  . TYR A 1 49  ? -1.32611  -25.25402 -18.53309 1.000 40.31343  ?  626 TYR A CB  1 
ATOM   81   C CG  . TYR A 1 49  ? -2.30446  -24.77612 -19.57424 1.000 39.70819  ?  626 TYR A CG  1 
ATOM   82   C CD1 . TYR A 1 49  ? -3.41461  -25.54156 -19.90936 1.000 38.70454  ?  626 TYR A CD1 1 
ATOM   83   C CD2 . TYR A 1 49  ? -2.13868  -23.54882 -20.19342 1.000 40.11244  ?  626 TYR A CD2 1 
ATOM   84   C CE1 . TYR A 1 49  ? -4.30636  -25.10705 -20.84519 1.000 40.94259  ?  626 TYR A CE1 1 
ATOM   85   C CE2 . TYR A 1 49  ? -3.03683  -23.09733 -21.12317 1.000 41.29423  ?  626 TYR A CE2 1 
ATOM   86   C CZ  . TYR A 1 49  ? -4.12204  -23.87747 -21.44431 1.000 42.84816  ?  626 TYR A CZ  1 
ATOM   87   O OH  . TYR A 1 49  ? -5.02319  -23.43233 -22.37505 1.000 42.60754  ?  626 TYR A OH  1 
ATOM   88   N N   . ASP A 1 50  ? -1.27766  -25.49382 -14.81426 1.000 38.96019  ?  627 ASP A N   1 
ATOM   89   C CA  . ASP A 1 50  ? -0.50012  -26.04254 -13.71682 1.000 40.51129  ?  627 ASP A CA  1 
ATOM   90   C C   . ASP A 1 50  ? -0.88515  -27.50604 -13.51519 1.000 46.41588  ?  627 ASP A C   1 
ATOM   91   O O   . ASP A 1 50  ? -2.07639  -27.84793 -13.48630 1.000 41.12076  ?  627 ASP A O   1 
ATOM   92   C CB  . ASP A 1 50  ? -0.74275  -25.23135 -12.43783 1.000 41.20373  ?  627 ASP A CB  1 
ATOM   93   C CG  . ASP A 1 50  ? 0.28201   -25.52309 -11.34519 1.000 45.49943  ?  627 ASP A CG  1 
ATOM   94   O OD1 . ASP A 1 50  ? 1.39199   -26.01255 -11.64484 1.000 44.93311  ?  627 ASP A OD1 1 
ATOM   95   O OD2 . ASP A 1 50  ? -0.01650  -25.24856 -10.17605 1.000 49.31999  ?  627 ASP A OD2 1 
ATOM   96   N N   . MET A 1 51  ? 0.12481   -28.36805 -13.39592 1.000 39.25110  ?  628 MET A N   1 
ATOM   97   C CA  . MET A 1 51  ? -0.07002  -29.78474 -13.10379 1.000 41.91263  ?  628 MET A CA  1 
ATOM   98   C C   . MET A 1 51  ? -1.11285  -30.39280 -14.03792 1.000 45.22703  ?  628 MET A C   1 
ATOM   99   O O   . MET A 1 51  ? -2.14933  -30.90528 -13.61347 1.000 44.67237  ?  628 MET A O   1 
ATOM   100  C CB  . MET A 1 51  ? -0.46010  -29.98750 -11.63926 1.000 44.77192  ?  628 MET A CB  1 
ATOM   101  C CG  . MET A 1 51  ? 0.71863   -29.95439 -10.68087 1.000 44.65438  ?  628 MET A CG  1 
ATOM   102  S SD  . MET A 1 51  ? 0.14941   -29.66905 -8.98755  1.000 67.72336  ?  628 MET A SD  1 
ATOM   103  C CE  . MET A 1 51  ? -1.30006  -28.64000 -9.28676  1.000 59.46265  ?  628 MET A CE  1 
ATOM   104  N N   . LEU A 1 52  ? -0.78857  -30.34979 -15.33060 1.000 41.98284  ?  629 LEU A N   1 
ATOM   105  C CA  . LEU A 1 52  ? -1.73641  -30.68026 -16.38638 1.000 39.79733  ?  629 LEU A CA  1 
ATOM   106  C C   . LEU A 1 52  ? -2.39754  -32.03986 -16.17822 1.000 44.65150  ?  629 LEU A C   1 
ATOM   107  O O   . LEU A 1 52  ? -1.72654  -33.06298 -16.03725 1.000 41.96387  ?  629 LEU A O   1 
ATOM   108  C CB  . LEU A 1 52  ? -1.02718  -30.64953 -17.73364 1.000 40.56939  ?  629 LEU A CB  1 
ATOM   109  C CG  . LEU A 1 52  ? -1.97377  -30.45371 -18.91786 1.000 39.75837  ?  629 LEU A CG  1 
ATOM   110  C CD1 . LEU A 1 52  ? -2.28966  -28.99184 -19.05827 1.000 39.68200  ?  629 LEU A CD1 1 
ATOM   111  C CD2 . LEU A 1 52  ? -1.32281  -30.98575 -20.15916 1.000 42.30907  ?  629 LEU A CD2 1 
ATOM   112  N N   . HIS A 1 53  ? -3.72116  -32.05176 -16.20622 1.000 41.45108  ?  630 HIS A N   1 
ATOM   113  C CA  . HIS A 1 53  ? -4.49308  -33.27003 -16.01467 1.000 47.79598  ?  630 HIS A CA  1 
ATOM   114  C C   . HIS A 1 53  ? -5.44631  -33.49903 -17.19872 1.000 42.86315  ?  630 HIS A C   1 
ATOM   115  O O   . HIS A 1 53  ? -5.49510  -32.72750 -18.15938 1.000 40.98280  ?  630 HIS A O   1 
ATOM   116  C CB  . HIS A 1 53  ? -5.24795  -33.21544 -14.67747 1.000 54.26791  ?  630 HIS A CB  1 
ATOM   117  C CG  . HIS A 1 53  ? -5.96214  -31.91726 -14.43372 1.000 58.70290  ?  630 HIS A CG  1 
ATOM   118  N ND1 . HIS A 1 53  ? -7.23729  -31.66677 -14.90121 1.000 59.44642  ?  630 HIS A ND1 1 
ATOM   119  C CD2 . HIS A 1 53  ? -5.58096  -30.79926 -13.76838 1.000 60.09379  ?  630 HIS A CD2 1 
ATOM   120  C CE1 . HIS A 1 53  ? -7.61135  -30.45430 -14.53214 1.000 60.60228  ?  630 HIS A CE1 1 
ATOM   121  N NE2 . HIS A 1 53  ? -6.62541  -29.90756 -13.84179 1.000 66.01518  ?  630 HIS A NE2 1 
ATOM   122  N N   . LEU A 1 54  ? -6.21339  -34.58568 -17.10966 1.000 42.95559  ?  631 LEU A N   1 
ATOM   123  C CA  . LEU A 1 54  ? -7.13311  -34.95092 -18.18236 1.000 42.38143  ?  631 LEU A CA  1 
ATOM   124  C C   . LEU A 1 54  ? -8.17893  -33.86482 -18.42467 1.000 45.23144  ?  631 LEU A C   1 
ATOM   125  O O   . LEU A 1 54  ? -8.54935  -33.59932 -19.57501 1.000 40.75111  ?  631 LEU A O   1 
ATOM   126  C CB  . LEU A 1 54  ? -7.79593  -36.28391 -17.85199 1.000 43.07229  ?  631 LEU A CB  1 
ATOM   127  C CG  . LEU A 1 54  ? -8.79568  -36.79904 -18.87496 1.000 48.09006  ?  631 LEU A CG  1 
ATOM   128  C CD1 . LEU A 1 54  ? -8.06596  -37.18704 -20.13871 1.000 45.45609  ?  631 LEU A CD1 1 
ATOM   129  C CD2 . LEU A 1 54  ? -9.58404  -37.99062 -18.29737 1.000 43.65493  ?  631 LEU A CD2 1 
ATOM   130  N N   . GLY A 1 55  ? -8.67460  -33.23034 -17.35618 1.000 48.59350  ?  632 GLY A N   1 
ATOM   131  C CA  . GLY A 1 55  ? -9.57691  -32.10233 -17.53688 1.000 49.87288  ?  632 GLY A CA  1 
ATOM   132  C C   . GLY A 1 55  ? -8.97559  -31.02074 -18.41385 1.000 46.80247  ?  632 GLY A C   1 
ATOM   133  O O   . GLY A 1 55  ? -9.63702  -30.49385 -19.30862 1.000 47.25220  ?  632 GLY A O   1 
ATOM   134  N N   . HIS A 1 56  ? -7.70184  -30.68955 -18.18661 1.000 48.89936  ?  633 HIS A N   1 
ATOM   135  C CA  . HIS A 1 56  ? -7.02564  -29.73288 -19.05548 1.000 45.21109  ?  633 HIS A CA  1 
ATOM   136  C C   . HIS A 1 56  ? -6.93246  -30.25545 -20.48528 1.000 42.75896  ?  633 HIS A C   1 
ATOM   137  O O   . HIS A 1 56  ? -7.09508  -29.49496 -21.44387 1.000 42.02809  ?  633 HIS A O   1 
ATOM   138  C CB  . HIS A 1 56  ? -5.61197  -29.44761 -18.54059 1.000 49.17900  ?  633 HIS A CB  1 
ATOM   139  C CG  . HIS A 1 56  ? -5.53018  -28.46157 -17.41547 1.000 50.84429  ?  633 HIS A CG  1 
ATOM   140  N ND1 . HIS A 1 56  ? -4.81834  -28.72316 -16.26139 1.000 51.74676  ?  633 HIS A ND1 1 
ATOM   141  C CD2 . HIS A 1 56  ? -6.01143  -27.20231 -17.28309 1.000 54.26119  ?  633 HIS A CD2 1 
ATOM   142  C CE1 . HIS A 1 56  ? -4.87921  -27.67632 -15.45943 1.000 49.72196  ?  633 HIS A CE1 1 
ATOM   143  N NE2 . HIS A 1 56  ? -5.59902  -26.74028 -16.05313 1.000 57.09270  ?  633 HIS A NE2 1 
ATOM   144  N N   . MET A 1 57  ? -6.60204  -31.53270 -20.66410 1.000 38.31414  ?  634 MET A N   1 
ATOM   145  C CA  . MET A 1 57  ? -6.36854  -31.98200 -22.03463 1.000 41.45012  ?  634 MET A CA  1 
ATOM   146  C C   . MET A 1 57  ? -7.67072  -32.13117 -22.81301 1.000 38.50683  ?  634 MET A C   1 
ATOM   147  O O   . MET A 1 57  ? -7.68513  -31.93715 -24.02953 1.000 38.07323  ?  634 MET A O   1 
ATOM   148  C CB  . MET A 1 57  ? -5.55765  -33.28188 -22.05237 1.000 39.38278  ?  634 MET A CB  1 
ATOM   149  C CG  . MET A 1 57  ? -4.49656  -33.38282 -20.94900 1.000 38.48446  ?  634 MET A CG  1 
ATOM   150  S SD  . MET A 1 57  ? -3.95819  -35.07130 -20.65713 1.000 37.07278  ?  634 MET A SD  1 
ATOM   151  C CE  . MET A 1 57  ? -2.42420  -34.66153 -19.73286 1.000 38.77992  ?  634 MET A CE  1 
ATOM   152  N N   . LYS A 1 58  ? -8.76847  -32.47179 -22.14639 1.000 37.43730  ?  635 LYS A N   1 
ATOM   153  C CA  . LYS A 1 58  ? -10.04173 -32.50141 -22.85547 1.000 39.37428  ?  635 LYS A CA  1 
ATOM   154  C C   . LYS A 1 58  ? -10.42756 -31.11319 -23.31873 1.000 39.27439  ?  635 LYS A C   1 
ATOM   155  O O   . LYS A 1 58  ? -10.98781 -30.94976 -24.40885 1.000 39.87285  ?  635 LYS A O   1 
ATOM   156  C CB  . LYS A 1 58  ? -11.12490 -33.09169 -21.96768 1.000 38.40037  ?  635 LYS A CB  1 
ATOM   157  C CG  . LYS A 1 58  ? -11.04034 -34.57855 -21.84479 1.000 41.73836  ?  635 LYS A CG  1 
ATOM   158  C CD  . LYS A 1 58  ? -11.60782 -35.03808 -20.52744 1.000 46.40364  ?  635 LYS A CD  1 
ATOM   159  C CE  . LYS A 1 58  ? -12.99299 -35.55068 -20.70839 1.000 51.33966  ?  635 LYS A CE  1 
ATOM   160  N NZ  . LYS A 1 58  ? -13.25658 -36.65706 -19.73665 1.000 63.17258  ?  635 LYS A NZ  1 
ATOM   161  N N   . GLN A 1 59  ? -10.13593 -30.09995 -22.49861 1.000 39.62407  ?  636 GLN A N   1 
ATOM   162  C CA  . GLN A 1 59  ? -10.37400 -28.71955 -22.89864 1.000 39.55779  ?  636 GLN A CA  1 
ATOM   163  C C   . GLN A 1 59  ? -9.56689  -28.35798 -24.12997 1.000 39.54374  ?  636 GLN A C   1 
ATOM   164  O O   . GLN A 1 59  ? -10.08073 -27.70696 -25.04702 1.000 39.82051  ?  636 GLN A O   1 
ATOM   165  C CB  . GLN A 1 59  ? -10.01880 -27.77486 -21.75879 1.000 41.07363  ?  636 GLN A CB  1 
ATOM   166  C CG  . GLN A 1 59  ? -11.19044 -27.13196 -21.10739 1.000 50.83136  ?  636 GLN A CG  1 
ATOM   167  C CD  . GLN A 1 59  ? -10.78635 -26.00844 -20.17336 1.000 56.57011  ?  636 GLN A CD  1 
ATOM   168  O OE1 . GLN A 1 59  ? -10.12113 -26.22951 -19.14985 1.000 54.80855  ?  636 GLN A OE1 1 
ATOM   169  N NE2 . GLN A 1 59  ? -11.20947 -24.79441 -20.50669 1.000 57.31953  ?  636 GLN A NE2 1 
ATOM   170  N N   . LEU A 1 60  ? -8.28338  -28.74179 -24.15952 1.000 36.68046  ?  637 LEU A N   1 
ATOM   171  C CA  . LEU A 1 60  ? -7.47077  -28.43726 -25.33103 1.000 34.95581  ?  637 LEU A CA  1 
ATOM   172  C C   . LEU A 1 60  ? -7.95737  -29.20441 -26.54899 1.000 35.61550  ?  637 LEU A C   1 
ATOM   173  O O   . LEU A 1 60  ? -8.00394  -28.65546 -27.65517 1.000 32.08718  ?  637 LEU A O   1 
ATOM   174  C CB  . LEU A 1 60  ? -6.00081  -28.74823 -25.06018 1.000 37.65236  ?  637 LEU A CB  1 
ATOM   175  C CG  . LEU A 1 60  ? -5.42973  -27.90555 -23.92942 1.000 35.27247  ?  637 LEU A CG  1 
ATOM   176  C CD1 . LEU A 1 60  ? -4.08749  -28.45530 -23.49227 1.000 41.62092  ?  637 LEU A CD1 1 
ATOM   177  C CD2 . LEU A 1 60  ? -5.32560  -26.46106 -24.36983 1.000 37.28337  ?  637 LEU A CD2 1 
ATOM   178  N N   . GLU A 1 61  ? -8.32035  -30.47668 -26.36526 1.000 35.14655  ?  638 GLU A N   1 
ATOM   179  C CA  . GLU A 1 61  ? -8.90378  -31.22192 -27.46670 1.000 37.34959  ?  638 GLU A CA  1 
ATOM   180  C C   . GLU A 1 61  ? -10.14634 -30.52280 -27.99233 1.000 36.55245  ?  638 GLU A C   1 
ATOM   181  O O   . GLU A 1 61  ? -10.36986 -30.47448 -29.21047 1.000 35.54311  ?  638 GLU A O   1 
ATOM   182  C CB  . GLU A 1 61  ? -9.25286  -32.64856 -27.05239 1.000 37.50954  ?  638 GLU A CB  1 
ATOM   183  C CG  . GLU A 1 61  ? -9.86022  -33.39539 -28.21449 1.000 35.10757  ?  638 GLU A CG  1 
ATOM   184  C CD  . GLU A 1 61  ? -10.33817 -34.79755 -27.86566 1.000 40.99271  ?  638 GLU A CD  1 
ATOM   185  O OE1 . GLU A 1 61  ? -10.41109 -35.13277 -26.66502 1.000 41.38509  ?  638 GLU A OE1 1 
ATOM   186  O OE2 . GLU A 1 61  ? -10.67714 -35.54731 -28.81153 1.000 41.66561  ?  638 GLU A OE2 1 
ATOM   187  N N   . GLN A 1 62  ? -10.95293 -29.95627 -27.09104 1.000 36.64306  ?  639 GLN A N   1 
ATOM   188  C CA  . GLN A 1 62  ? -12.19850 -29.31711 -27.51523 1.000 37.32959  ?  639 GLN A CA  1 
ATOM   189  C C   . GLN A 1 62  ? -11.91049 -28.08318 -28.35892 1.000 41.21313  ?  639 GLN A C   1 
ATOM   190  O O   . GLN A 1 62  ? -12.46739 -27.91463 -29.45395 1.000 39.30427  ?  639 GLN A O   1 
ATOM   191  C CB  . GLN A 1 62  ? -13.05037 -28.94666 -26.30718 1.000 39.38697  ?  639 GLN A CB  1 
ATOM   192  C CG  . GLN A 1 62  ? -14.44997 -28.57310 -26.69940 1.000 43.79383  ?  639 GLN A CG  1 
ATOM   193  C CD  . GLN A 1 62  ? -15.27614 -28.06752 -25.54299 1.000 48.84857  ?  639 GLN A CD  1 
ATOM   194  O OE1 . GLN A 1 62  ? -14.90194 -28.21549 -24.38042 1.000 51.79865  ?  639 GLN A OE1 1 
ATOM   195  N NE2 . GLN A 1 62  ? -16.41926 -27.47489 -25.85744 1.000 50.51012  ?  639 GLN A NE2 1 
ATOM   196  N N   . ALA A 1 63  ? -11.01196 -27.22316 -27.87708 1.000 32.93508  ?  640 ALA A N   1 
ATOM   197  C CA  . ALA A 1 63  ? -10.65334 -26.03340 -28.64013 1.000 36.00356  ?  640 ALA A CA  1 
ATOM   198  C C   . ALA A 1 63  ? -10.04582 -26.41042 -29.99256 1.000 38.11718  ?  640 ALA A C   1 
ATOM   199  O O   . ALA A 1 63  ? -10.38929 -25.82254 -31.02526 1.000 33.55120  ?  640 ALA A O   1 
ATOM   200  C CB  . ALA A 1 63  ? -9.69759  -25.16508 -27.81923 1.000 35.40032  ?  640 ALA A CB  1 
ATOM   201  N N   . LYS A 1 64  ? -9.14893  -27.40307 -30.00945 1.000 40.49499  ?  641 LYS A N   1 
ATOM   202  C CA  . LYS A 1 64  ? -8.56336  -27.84389 -31.27252 1.000 34.07002  ?  641 LYS A CA  1 
ATOM   203  C C   . LYS A 1 64  ? -9.64683  -28.22548 -32.27943 1.000 38.08786  ?  641 LYS A C   1 
ATOM   204  O O   . LYS A 1 64  ? -9.56643  -27.86706 -33.46111 1.000 37.02011  ?  641 LYS A O   1 
ATOM   205  C CB  . LYS A 1 64  ? -7.61459  -29.01967 -31.02872 1.000 32.22859  ?  641 LYS A CB  1 
ATOM   206  C CG  . LYS A 1 64  ? -7.08581  -29.66327 -32.31136 1.000 35.93548  ?  641 LYS A CG  1 
ATOM   207  C CD  . LYS A 1 64  ? -6.12551  -28.75053 -33.06880 1.000 33.94824  ?  641 LYS A CD  1 
ATOM   208  C CE  . LYS A 1 64  ? -5.62066  -29.44241 -34.33426 1.000 36.09063  ?  641 LYS A CE  1 
ATOM   209  N NZ  . LYS A 1 64  ? -4.81916  -28.49665 -35.13420 1.000 37.45318  ?  641 LYS A NZ  1 
ATOM   210  N N   . LYS A 1 65  ? -10.67279 -28.94339 -31.83052 1.000 39.10045  ?  642 LYS A N   1 
ATOM   211  C CA  . LYS A 1 65  ? -11.69635 -29.45891 -32.72649 1.000 38.36157  ?  642 LYS A CA  1 
ATOM   212  C C   . LYS A 1 65  ? -12.85932 -28.49993 -32.92738 1.000 39.10842  ?  642 LYS A C   1 
ATOM   213  O O   . LYS A 1 65  ? -13.89918 -28.92070 -33.43839 1.000 37.98809  ?  642 LYS A O   1 
ATOM   214  C CB  . LYS A 1 65  ? -12.22572 -30.80102 -32.21216 1.000 38.99013  ?  642 LYS A CB  1 
ATOM   215  C CG  . LYS A 1 65  ? -11.16819 -31.87561 -32.18036 1.000 36.11826  ?  642 LYS A CG  1 
ATOM   216  C CD  . LYS A 1 65  ? -11.72171 -33.23729 -31.82562 1.000 38.11945  ?  642 LYS A CD  1 
ATOM   217  C CE  . LYS A 1 65  ? -10.57785 -34.25437 -31.73419 1.000 39.94218  ?  642 LYS A CE  1 
ATOM   218  N NZ  . LYS A 1 65  ? -11.00759 -35.66215 -31.51848 1.000 46.28688  ?  642 LYS A NZ  1 
ATOM   219  N N   . LEU A 1 66  ? -12.71202 -27.23143 -32.53826 1.000 40.50019  ?  643 LEU A N   1 
ATOM   220  C CA  . LEU A 1 66  ? -13.79875 -26.26873 -32.71160 1.000 41.35236  ?  643 LEU A CA  1 
ATOM   221  C C   . LEU A 1 66  ? -14.17315 -26.12148 -34.17649 1.000 42.07145  ?  643 LEU A C   1 
ATOM   222  O O   . LEU A 1 66  ? -15.34340 -25.91826 -34.50729 1.000 41.46821  ?  643 LEU A O   1 
ATOM   223  C CB  . LEU A 1 66  ? -13.40031 -24.91053 -32.13138 1.000 40.59448  ?  643 LEU A CB  1 
ATOM   224  C CG  . LEU A 1 66  ? -13.44066 -24.81658 -30.60704 1.000 38.35253  ?  643 LEU A CG  1 
ATOM   225  C CD1 . LEU A 1 66  ? -12.83797 -23.50070 -30.12513 1.000 40.43642  ?  643 LEU A CD1 1 
ATOM   226  C CD2 . LEU A 1 66  ? -14.88608 -24.97295 -30.12344 1.000 36.61746  ?  643 LEU A CD2 1 
ATOM   227  N N   . PHE A 1 67  ? -13.18916 -26.18764 -35.06881 1.000 41.15485  ?  644 PHE A N   1 
ATOM   228  C CA  . PHE A 1 67  ? -13.44722 -26.16969 -36.49543 1.000 43.68339  ?  644 PHE A CA  1 
ATOM   229  C C   . PHE A 1 67  ? -12.63491 -27.28198 -37.12620 1.000 42.95188  ?  644 PHE A C   1 
ATOM   230  O O   . PHE A 1 67  ? -11.77545 -27.88586 -36.48564 1.000 44.67706  ?  644 PHE A O   1 
ATOM   231  C CB  . PHE A 1 67  ? -13.11717 -24.81174 -37.12659 1.000 42.50133  ?  644 PHE A CB  1 
ATOM   232  C CG  . PHE A 1 67  ? -13.99292 -23.69001 -36.63435 1.000 44.34392  ?  644 PHE A CG  1 
ATOM   233  C CD1 . PHE A 1 67  ? -15.23354 -23.44083 -37.22623 1.000 42.23495  ?  644 PHE A CD1 1 
ATOM   234  C CD2 . PHE A 1 67  ? -13.59176 -22.90031 -35.57267 1.000 41.52267  ?  644 PHE A CD2 1 
ATOM   235  C CE1 . PHE A 1 67  ? -16.04755 -22.40723 -36.76292 1.000 45.32045  ?  644 PHE A CE1 1 
ATOM   236  C CE2 . PHE A 1 67  ? -14.40152 -21.86132 -35.10621 1.000 40.59701  ?  644 PHE A CE2 1 
ATOM   237  C CZ  . PHE A 1 67  ? -15.62634 -21.61656 -35.69541 1.000 39.76457  ?  644 PHE A CZ  1 
ATOM   238  N N   . GLU A 1 68  ? -12.92787 -27.54588 -38.39452 1.000 45.78720  ?  645 GLU A N   1 
ATOM   239  C CA  . GLU A 1 68  ? -12.38284 -28.71889 -39.06600 1.000 48.63435  ?  645 GLU A CA  1 
ATOM   240  C C   . GLU A 1 68  ? -10.87962 -28.59260 -39.30746 1.000 51.28998  ?  645 GLU A C   1 
ATOM   241  O O   . GLU A 1 68  ? -10.15229 -29.58934 -39.25102 1.000 49.87308  ?  645 GLU A O   1 
ATOM   242  C CB  . GLU A 1 68  ? -13.12509 -28.93577 -40.37875 1.000 51.59797  ?  645 GLU A CB  1 
ATOM   243  C CG  . GLU A 1 68  ? -12.55747 -30.05276 -41.23049 1.000 60.74645  ?  645 GLU A CG  1 
ATOM   244  C CD  . GLU A 1 68  ? -13.10145 -30.02679 -42.64079 1.000 66.82124  ?  645 GLU A CD  1 
ATOM   245  O OE1 . GLU A 1 68  ? -12.72035 -30.90790 -43.44786 1.000 70.61267  ?  645 GLU A OE1 1 
ATOM   246  O OE2 . GLU A 1 68  ? -13.91212 -29.12231 -42.94092 1.000 69.37654  ?  645 GLU A OE2 1 
ATOM   247  N N   . ASN A 1 69  ? -10.40107 -27.38964 -39.60686 1.000 50.56886  ?  646 ASN A N   1 
ATOM   248  C CA  . ASN A 1 69  ? -8.97797  -27.12671 -39.79550 1.000 46.35527  ?  646 ASN A CA  1 
ATOM   249  C C   . ASN A 1 69  ? -8.61027  -25.98164 -38.87816 1.000 43.62608  ?  646 ASN A C   1 
ATOM   250  O O   . ASN A 1 69  ? -9.03877  -24.84780 -39.10552 1.000 43.90015  ?  646 ASN A O   1 
ATOM   251  C CB  . ASN A 1 69  ? -8.64919  -26.76513 -41.24315 1.000 49.16122  ?  646 ASN A CB  1 
ATOM   252  C CG  . ASN A 1 69  ? -9.10234  -27.82266 -42.22065 1.000 62.75781  ?  646 ASN A CG  1 
ATOM   253  O OD1 . ASN A 1 69  ? -8.81866  -29.01067 -42.02501 1.000 62.67860  ?  646 ASN A OD1 1 
ATOM   254  N ND2 . ASN A 1 69  ? -9.79820  -27.40455 -43.29162 1.000 59.40786  ?  646 ASN A ND2 1 
ATOM   255  N N   . THR A 1 70  ? -7.81962  -26.26214 -37.85276 1.000 42.11312  ?  647 THR A N   1 
ATOM   256  C CA  . THR A 1 70  ? -7.42445  -25.21716 -36.92973 1.000 36.80187  ?  647 THR A CA  1 
ATOM   257  C C   . THR A 1 70  ? -5.92267  -25.24920 -36.67721 1.000 40.78498  ?  647 THR A C   1 
ATOM   258  O O   . THR A 1 70  ? -5.24852  -26.27204 -36.82625 1.000 36.39769  ?  647 THR A O   1 
ATOM   259  C CB  . THR A 1 70  ? -8.11594  -25.34841 -35.58049 1.000 41.50148  ?  647 THR A CB  1 
ATOM   260  O OG1 . THR A 1 70  ? -7.63692  -26.53143 -34.93492 1.000 39.17914  ?  647 THR A OG1 1 
ATOM   261  C CG2 . THR A 1 70  ? -9.64412  -25.44226 -35.75294 1.000 41.37913  ?  647 THR A CG2 1 
ATOM   262  N N   . THR A 1 71  ? -5.42596  -24.10297 -36.25105 1.000 39.85634  ?  648 THR A N   1 
ATOM   263  C CA  . THR A 1 71  ? -4.17072  -23.98539 -35.53648 1.000 39.34628  ?  648 THR A CA  1 
ATOM   264  C C   . THR A 1 71  ? -4.50821  -23.61258 -34.10240 1.000 34.67810  ?  648 THR A C   1 
ATOM   265  O O   . THR A 1 71  ? -5.07615  -22.54399 -33.86207 1.000 37.43215  ?  648 THR A O   1 
ATOM   266  C CB  . THR A 1 71  ? -3.29597  -22.90617 -36.17377 1.000 36.34397  ?  648 THR A CB  1 
ATOM   267  O OG1 . THR A 1 71  ? -3.03125  -23.25724 -37.53171 1.000 36.51239  ?  648 THR A OG1 1 
ATOM   268  C CG2 . THR A 1 71  ? -2.01738  -22.74616 -35.39983 1.000 35.15458  ?  648 THR A CG2 1 
ATOM   269  N N   . LEU A 1 72  ? -4.18402  -24.48222 -33.15265 1.000 34.31596  ?  649 LEU A N   1 
ATOM   270  C CA  . LEU A 1 72  ? -4.42857  -24.16436 -31.75256 1.000 31.91310  ?  649 LEU A CA  1 
ATOM   271  C C   . LEU A 1 72  ? -3.17077  -23.53930 -31.15911 1.000 33.59163  ?  649 LEU A C   1 
ATOM   272  O O   . LEU A 1 72  ? -2.12260  -24.18842 -31.08797 1.000 37.01635  ?  649 LEU A O   1 
ATOM   273  C CB  . LEU A 1 72  ? -4.84819  -25.40430 -30.97177 1.000 31.96185  ?  649 LEU A CB  1 
ATOM   274  C CG  . LEU A 1 72  ? -5.09258  -25.15221 -29.48313 1.000 34.78465  ?  649 LEU A CG  1 
ATOM   275  C CD1 . LEU A 1 72  ? -6.11774  -24.04720 -29.28206 1.000 32.57561  ?  649 LEU A CD1 1 
ATOM   276  C CD2 . LEU A 1 72  ? -5.50048  -26.43485 -28.72625 1.000 33.29542  ?  649 LEU A CD2 1 
ATOM   277  N N   . ILE A 1 73  ? -3.26649  -22.27942 -30.74684 1.000 35.12416  ?  650 ILE A N   1 
ATOM   278  C CA  . ILE A 1 73  ? -2.19663  -21.60805 -30.01727 1.000 35.27589  ?  650 ILE A CA  1 
ATOM   279  C C   . ILE A 1 73  ? -2.54821  -21.63435 -28.53982 1.000 35.86690  ?  650 ILE A C   1 
ATOM   280  O O   . ILE A 1 73  ? -3.64429  -21.23736 -28.16025 1.000 36.67175  ?  650 ILE A O   1 
ATOM   281  C CB  . ILE A 1 73  ? -2.00254  -20.15847 -30.49467 1.000 37.75723  ?  650 ILE A CB  1 
ATOM   282  C CG1 . ILE A 1 73  ? -1.65455  -20.10291 -31.98888 1.000 35.56656  ?  650 ILE A CG1 1 
ATOM   283  C CG2 . ILE A 1 73  ? -0.91274  -19.49771 -29.69320 1.000 33.40897  ?  650 ILE A CG2 1 
ATOM   284  C CD1 . ILE A 1 73  ? -1.57136  -18.65920 -32.53647 1.000 32.03897  ?  650 ILE A CD1 1 
ATOM   285  N N   . VAL A 1 74  ? -1.62555  -22.08756 -27.69428 1.000 35.53975  ?  651 VAL A N   1 
ATOM   286  C CA  . VAL A 1 74  ? -1.84645  -22.08796 -26.25705 1.000 33.06734  ?  651 VAL A CA  1 
ATOM   287  C C   . VAL A 1 74  ? -0.96751  -21.01899 -25.62343 1.000 37.72632  ?  651 VAL A C   1 
ATOM   288  O O   . VAL A 1 74  ? 0.23075   -20.92284 -25.92873 1.000 35.83280  ?  651 VAL A O   1 
ATOM   289  C CB  . VAL A 1 74  ? -1.58381  -23.47067 -25.64974 1.000 38.88298  ?  651 VAL A CB  1 
ATOM   290  C CG1 . VAL A 1 74  ? -1.98450  -23.45385 -24.20119 1.000 34.64338  ?  651 VAL A CG1 1 
ATOM   291  C CG2 . VAL A 1 74  ? -2.35474  -24.54444 -26.43402 1.000 39.62615  ?  651 VAL A CG2 1 
ATOM   292  N N   . GLY A 1 75  ? -1.56996  -20.19775 -24.76918 1.000 33.44888  ?  652 GLY A N   1 
ATOM   293  C CA  . GLY A 1 75  ? -0.83741  -19.20824 -23.99747 1.000 33.63607  ?  652 GLY A CA  1 
ATOM   294  C C   . GLY A 1 75  ? -0.67342  -19.70175 -22.56867 1.000 36.45402  ?  652 GLY A C   1 
ATOM   295  O O   . GLY A 1 75  ? -1.63501  -20.16419 -21.94802 1.000 35.00313  ?  652 GLY A O   1 
ATOM   296  N N   . VAL A 1 76  ? 0.56010   -19.62490 -22.06977 1.000 34.17184  ?  653 VAL A N   1 
ATOM   297  C CA  . VAL A 1 76  ? 0.88221   -20.02296 -20.70289 1.000 35.44864  ?  653 VAL A CA  1 
ATOM   298  C C   . VAL A 1 76  ? 1.21787   -18.78058 -19.88353 1.000 36.63617  ?  653 VAL A C   1 
ATOM   299  O O   . VAL A 1 76  ? 2.14116   -18.01954 -20.21973 1.000 37.85104  ?  653 VAL A O   1 
ATOM   300  C CB  . VAL A 1 76  ? 2.02642   -21.03989 -20.66812 1.000 34.15310  ?  653 VAL A CB  1 
ATOM   301  C CG1 . VAL A 1 76  ? 2.04710   -21.70896 -19.31348 1.000 33.85109  ?  653 VAL A CG1 1 
ATOM   302  C CG2 . VAL A 1 76  ? 1.82083   -22.06912 -21.75812 1.000 35.21732  ?  653 VAL A CG2 1 
ATOM   303  N N   . THR A 1 77  ? 0.48762   -18.58666 -18.79432 1.000 34.88259  ?  654 THR A N   1 
ATOM   304  C CA  . THR A 1 77  ? 0.64937   -17.37911 -17.99673 1.000 38.89630  ?  654 THR A CA  1 
ATOM   305  C C   . THR A 1 77  ? 1.92986   -17.43565 -17.16294 1.000 39.17316  ?  654 THR A C   1 
ATOM   306  O O   . THR A 1 77  ? 2.40037   -18.50596 -16.76126 1.000 36.39456  ?  654 THR A O   1 
ATOM   307  C CB  . THR A 1 77  ? -0.56446  -17.18369 -17.08184 1.000 43.25030  ?  654 THR A CB  1 
ATOM   308  O OG1 . THR A 1 77  ? -0.75017  -18.35113 -16.27307 1.000 41.17537  ?  654 THR A OG1 1 
ATOM   309  C CG2 . THR A 1 77  ? -1.83027  -16.96345 -17.91149 1.000 42.14188  ?  654 THR A CG2 1 
ATOM   310  N N   . SER A 1 78  ? 2.47210   -16.25605 -16.87819 1.000 41.36440  ?  655 SER A N   1 
ATOM   311  C CA  . SER A 1 78  ? 3.70883   -16.12787 -16.12641 1.000 42.55030  ?  655 SER A CA  1 
ATOM   312  C C   . SER A 1 78  ? 3.51265   -16.53617 -14.67518 1.000 42.19517  ?  655 SER A C   1 
ATOM   313  O O   . SER A 1 78  ? 2.40512   -16.49671 -14.13651 1.000 44.56990  ?  655 SER A O   1 
ATOM   314  C CB  . SER A 1 78  ? 4.22381   -14.69006 -16.18401 1.000 46.67215  ?  655 SER A CB  1 
ATOM   315  O OG  . SER A 1 78  ? 3.49834   -13.84145 -15.30846 1.000 46.79252  ?  655 SER A OG  1 
ATOM   316  N N   . ASP A 1 79  ? 4.62028   -16.92226 -14.03327 1.000 45.55800  ?  656 ASP A N   1 
ATOM   317  C CA  . ASP A 1 79  ? 4.57013   -17.24353 -12.60953 1.000 47.36587  ?  656 ASP A CA  1 
ATOM   318  C C   . ASP A 1 79  ? 4.10807   -16.03934 -11.79489 1.000 52.02318  ?  656 ASP A C   1 
ATOM   319  O O   . ASP A 1 79  ? 3.14777   -16.13407 -11.02123 1.000 53.10949  ?  656 ASP A O   1 
ATOM   320  C CB  . ASP A 1 79  ? 5.93235   -17.74864 -12.12633 1.000 46.33560  ?  656 ASP A CB  1 
ATOM   321  C CG  . ASP A 1 79  ? 6.26835   -19.14594 -12.66764 1.000 52.22753  ?  656 ASP A CG  1 
ATOM   322  O OD1 . ASP A 1 79  ? 5.38754   -20.04535 -12.62955 1.000 49.72450  ?  656 ASP A OD1 1 
ATOM   323  O OD2 . ASP A 1 79  ? 7.42166   -19.36557 -13.10725 1.000 54.14792  ?  656 ASP A OD2 1 
ATOM   324  N N   . ASN A 1 80  ? 4.75556   -14.88609 -11.98744 1.000 47.72078  ?  657 ASN A N   1 
ATOM   325  C CA  . ASN A 1 80  ? 4.44788   -13.70983 -11.18234 1.000 50.76549  ?  657 ASN A CA  1 
ATOM   326  C C   . ASN A 1 80  ? 2.98143   -13.29901 -11.30027 1.000 55.12281  ?  657 ASN A C   1 
ATOM   327  O O   . ASN A 1 80  ? 2.33865   -12.98141 -10.29424 1.000 56.23507  ?  657 ASN A O   1 
ATOM   328  C CB  . ASN A 1 80  ? 5.35850   -12.55313 -11.58410 1.000 48.68650  ?  657 ASN A CB  1 
ATOM   329  C CG  . ASN A 1 80  ? 6.72623   -12.65522 -10.93903 1.000 64.80988  ?  657 ASN A CG  1 
ATOM   330  O OD1 . ASN A 1 80  ? 6.97649   -13.56792 -10.13835 1.000 68.28855  ?  657 ASN A OD1 1 
ATOM   331  N ND2 . ASN A 1 80  ? 7.61100   -11.70597 -11.25259 1.000 63.98433  ?  657 ASN A ND2 1 
ATOM   332  N N   . GLU A 1 81  ? 2.43886   -13.26566 -12.52301 1.000 50.81031  ?  658 GLU A N   1 
ATOM   333  C CA  . GLU A 1 81  ? 1.07669   -12.75974 -12.68828 1.000 53.90215  ?  658 GLU A CA  1 
ATOM   334  C C   . GLU A 1 81  ? 0.04019   -13.75071 -12.17169 1.000 55.08284  ?  658 GLU A C   1 
ATOM   335  O O   . GLU A 1 81  ? -0.95866  -13.35052 -11.56966 1.000 55.71319  ?  658 GLU A O   1 
ATOM   336  C CB  . GLU A 1 81  ? 0.81188   -12.41527 -14.14871 1.000 51.73412  ?  658 GLU A CB  1 
ATOM   337  C CG  . GLU A 1 81  ? 1.29050   -11.02281 -14.50266 1.000 55.00757  ?  658 GLU A CG  1 
ATOM   338  C CD  . GLU A 1 81  ? 1.31208   -10.77654 -15.99436 1.000 54.86696  ?  658 GLU A CD  1 
ATOM   339  O OE1 . GLU A 1 81  ? 1.67253   -11.70477 -16.74668 1.000 52.46119  ?  658 GLU A OE1 1 
ATOM   340  O OE2 . GLU A 1 81  ? 0.98050   -9.64447  -16.41204 1.000 57.76081  ?  658 GLU A OE2 1 
ATOM   341  N N   . THR A 1 82  ? 0.24929   -15.04281 -12.41163 1.000 53.06558  ?  659 THR A N   1 
ATOM   342  C CA  . THR A 1 82  ? -0.61048  -16.05759 -11.81545 1.000 50.93663  ?  659 THR A CA  1 
ATOM   343  C C   . THR A 1 82  ? -0.65894  -15.90996 -10.30012 1.000 62.08678  ?  659 THR A C   1 
ATOM   344  O O   . THR A 1 82  ? -1.74044  -15.80695 -9.70913  1.000 61.84878  ?  659 THR A O   1 
ATOM   345  C CB  . THR A 1 82  ? -0.10907  -17.44539 -12.20210 1.000 51.70993  ?  659 THR A CB  1 
ATOM   346  O OG1 . THR A 1 82  ? -0.23791  -17.61262 -13.61897 1.000 49.39741  ?  659 THR A OG1 1 
ATOM   347  C CG2 . THR A 1 82  ? -0.90530  -18.52193 -11.49441 1.000 53.20254  ?  659 THR A CG2 1 
ATOM   348  N N   . LYS A 1 83  ? 0.51221   -15.90412 -9.65173  1.000 57.74338  ?  660 LYS A N   1 
ATOM   349  C CA  . LYS A 1 83  ? 0.56575   -15.71451 -8.20750  1.000 60.48155  ?  660 LYS A CA  1 
ATOM   350  C C   . LYS A 1 83  ? -0.20279  -14.47157 -7.78447  1.000 64.49655  ?  660 LYS A C   1 
ATOM   351  O O   . LYS A 1 83  ? -0.95838  -14.49405 -6.80462  1.000 66.11361  ?  660 LYS A O   1 
ATOM   352  C CB  . LYS A 1 83  ? 2.01958   -15.59622 -7.73035  1.000 60.94913  ?  660 LYS A CB  1 
ATOM   353  C CG  . LYS A 1 83  ? 2.90917   -16.81910 -7.95237  1.000 65.16997  ?  660 LYS A CG  1 
ATOM   354  C CD  . LYS A 1 83  ? 4.32741   -16.58095 -7.38155  1.000 69.35365  ?  660 LYS A CD  1 
ATOM   355  C CE  . LYS A 1 83  ? 5.33408   -17.60093 -7.91664  1.000 68.98835  ?  660 LYS A CE  1 
ATOM   356  N NZ  . LYS A 1 83  ? 4.63849   -18.79446 -8.48034  1.000 62.69472  ?  660 LYS A NZ  1 
ATOM   357  N N   . LEU A 1 84  ? -0.00665  -13.36763 -8.50537  1.000 62.30035  ?  661 LEU A N   1 
ATOM   358  C CA  . LEU A 1 84  ? -0.55483  -12.09294 -8.06388  1.000 64.36378  ?  661 LEU A CA  1 
ATOM   359  C C   . LEU A 1 84  ? -2.07086  -12.04860 -8.20823  1.000 66.47945  ?  661 LEU A C   1 
ATOM   360  O O   . LEU A 1 84  ? -2.74990  -11.45854 -7.36147  1.000 65.98585  ?  661 LEU A O   1 
ATOM   361  C CB  . LEU A 1 84  ? 0.09645   -10.95673 -8.85020  1.000 63.82192  ?  661 LEU A CB  1 
ATOM   362  C CG  . LEU A 1 84  ? -0.50664  -9.56316  -8.68908  1.000 70.15394  ?  661 LEU A CG  1 
ATOM   363  C CD1 . LEU A 1 84  ? -0.48640  -9.14855  -7.22636  1.000 69.65771  ?  661 LEU A CD1 1 
ATOM   364  C CD2 . LEU A 1 84  ? 0.25942   -8.56462  -9.54403  1.000 71.83000  ?  661 LEU A CD2 1 
ATOM   365  N N   . PHE A 1 85  ? -2.61619  -12.67242 -9.25575  1.000 65.29627  ?  662 PHE A N   1 
ATOM   366  C CA  . PHE A 1 85  ? -4.04104  -12.60550 -9.57934  1.000 67.69382  ?  662 PHE A CA  1 
ATOM   367  C C   . PHE A 1 85  ? -4.81746  -13.86652 -9.23336  1.000 66.78512  ?  662 PHE A C   1 
ATOM   368  O O   . PHE A 1 85  ? -5.93830  -13.76991 -8.73033  1.000 69.69628  ?  662 PHE A O   1 
ATOM   369  C CB  . PHE A 1 85  ? -4.22773  -12.29362 -11.07015 1.000 61.36878  ?  662 PHE A CB  1 
ATOM   370  C CG  . PHE A 1 85  ? -3.64730  -10.97457 -11.48025 1.000 64.48975  ?  662 PHE A CG  1 
ATOM   371  C CD1 . PHE A 1 85  ? -3.87402  -9.83778  -10.71805 1.000 67.81111  ?  662 PHE A CD1 1 
ATOM   372  C CD2 . PHE A 1 85  ? -2.85461  -10.86909 -12.60966 1.000 64.32812  ?  662 PHE A CD2 1 
ATOM   373  C CE1 . PHE A 1 85  ? -3.33091  -8.61799  -11.08133 1.000 68.75813  ?  662 PHE A CE1 1 
ATOM   374  C CE2 . PHE A 1 85  ? -2.30673  -9.64977  -12.97787 1.000 65.04771  ?  662 PHE A CE2 1 
ATOM   375  C CZ  . PHE A 1 85  ? -2.54595  -8.52422  -12.21220 1.000 67.59541  ?  662 PHE A CZ  1 
ATOM   376  N N   . LYS A 1 86  ? -4.25848  -15.04888 -9.49402  1.000 67.62313  ?  663 LYS A N   1 
ATOM   377  C CA  . LYS A 1 86  ? -4.93219  -16.32273 -9.18869  1.000 65.94747  ?  663 LYS A CA  1 
ATOM   378  C C   . LYS A 1 86  ? -4.49182  -16.83535 -7.82462  1.000 66.22225  ?  663 LYS A C   1 
ATOM   379  O O   . LYS A 1 86  ? -5.28904  -16.90669 -6.88327  1.000 67.03953  ?  663 LYS A O   1 
ATOM   380  C CB  . LYS A 1 86  ? -4.63284  -17.34940 -10.28183 1.000 65.93677  ?  663 LYS A CB  1 
ATOM   381  C CG  . LYS A 1 86  ? -5.42554  -18.63982 -10.18995 1.000 68.76708  ?  663 LYS A CG  1 
ATOM   382  C CD  . LYS A 1 86  ? -6.66837  -18.58420 -11.04678 1.000 69.40094  ?  663 LYS A CD  1 
ATOM   383  C CE  . LYS A 1 86  ? -6.41839  -17.83953 -12.33798 1.000 65.56905  ?  663 LYS A CE  1 
ATOM   384  N NZ  . LYS A 1 86  ? -7.68846  -17.69167 -13.11663 1.000 71.54281  ?  663 LYS A NZ  1 
ATOM   385  N N   . GLY A 1 87  ? -3.23319  -17.20556 -7.71228  1.000 71.04546  ?  664 GLY A N   1 
ATOM   386  C CA  . GLY A 1 87  ? -2.71845  -17.71124 -6.45721  1.000 73.52662  ?  664 GLY A CA  1 
ATOM   387  C C   . GLY A 1 87  ? -1.54882  -18.64954 -6.69889  1.000 73.19918  ?  664 GLY A C   1 
ATOM   388  O O   . GLY A 1 87  ? -0.84340  -18.54280 -7.70400  1.000 70.44012  ?  664 GLY A O   1 
ATOM   389  N N   . GLN A 1 88  ? -1.38463  -19.56440 -5.75742  1.000 77.13231  ?  665 GLN A N   1 
ATOM   390  C CA  . GLN A 1 88  ? -0.20526  -20.41277 -5.69774  1.000 78.39694  ?  665 GLN A CA  1 
ATOM   391  C C   . GLN A 1 88  ? -0.10854  -21.31207 -6.92440  1.000 72.59039  ?  665 GLN A C   1 
ATOM   392  O O   . GLN A 1 88  ? -1.06397  -22.01118 -7.27210  1.000 75.44131  ?  665 GLN A O   1 
ATOM   393  C CB  . GLN A 1 88  ? -0.26400  -21.24983 -4.41618  1.000 84.20772  ?  665 GLN A CB  1 
ATOM   394  C CG  . GLN A 1 88  ? -1.36683  -22.31574 -4.43239  1.000 96.05438  ?  665 GLN A CG  1 
ATOM   395  C CD  . GLN A 1 88  ? -2.76305  -21.78829 -4.08026  1.000 100.41036 ?  665 GLN A CD  1 
ATOM   396  O OE1 . GLN A 1 88  ? -2.93833  -20.62004 -3.71735  1.000 97.96110  ?  665 GLN A OE1 1 
ATOM   397  N NE2 . GLN A 1 88  ? -3.76650  -22.65539 -4.21328  1.000 100.59499 ?  665 GLN A NE2 1 
ATOM   398  N N   . VAL A 1 89  ? 1.05180   -21.29733 -7.58032  1.000 66.66917  ?  666 VAL A N   1 
ATOM   399  C CA  . VAL A 1 89  ? 1.34036   -22.19467 -8.69506  1.000 59.40666  ?  666 VAL A CA  1 
ATOM   400  C C   . VAL A 1 89  ? 2.35794   -23.22089 -8.22179  1.000 54.69172  ?  666 VAL A C   1 
ATOM   401  O O   . VAL A 1 89  ? 3.25882   -22.90489 -7.43837  1.000 55.75753  ?  666 VAL A O   1 
ATOM   402  C CB  . VAL A 1 89  ? 1.84958   -21.44582 -9.94361  1.000 55.27022  ?  666 VAL A CB  1 
ATOM   403  C CG1 . VAL A 1 89  ? 3.34021   -21.24172 -9.86663  1.000 59.07318  ?  666 VAL A CG1 1 
ATOM   404  C CG2 . VAL A 1 89  ? 1.49815   -22.21290 -11.19717 1.000 51.10038  ?  666 VAL A CG2 1 
ATOM   405  N N   . VAL A 1 90  ? 2.19398   -24.45660 -8.67010  1.000 52.69463  ?  667 VAL A N   1 
ATOM   406  C CA  . VAL A 1 90  ? 3.06941   -25.53356 -8.23019  1.000 55.58135  ?  667 VAL A CA  1 
ATOM   407  C C   . VAL A 1 90  ? 4.27170   -25.66532 -9.14438  1.000 49.75957  ?  667 VAL A C   1 
ATOM   408  O O   . VAL A 1 90  ? 5.40274   -25.80905 -8.68209  1.000 49.64413  ?  667 VAL A O   1 
ATOM   409  C CB  . VAL A 1 90  ? 2.28845   -26.86216 -8.15535  1.000 57.21561  ?  667 VAL A CB  1 
ATOM   410  C CG1 . VAL A 1 90  ? 3.19487   -27.97445 -7.66882  1.000 54.64537  ?  667 VAL A CG1 1 
ATOM   411  C CG2 . VAL A 1 90  ? 1.06796   -26.71293 -7.26934  1.000 61.26115  ?  667 VAL A CG2 1 
ATOM   412  N N   . GLN A 1 91  ? 4.03684   -25.65027 -10.44626 1.000 47.05631  ?  668 GLN A N   1 
ATOM   413  C CA  . GLN A 1 91  ? 5.07874   -25.78143 -11.44554 1.000 40.66945  ?  668 GLN A CA  1 
ATOM   414  C C   . GLN A 1 91  ? 5.47989   -24.40879 -11.95738 1.000 43.84594  ?  668 GLN A C   1 
ATOM   415  O O   . GLN A 1 91  ? 4.65976   -23.48998 -12.03776 1.000 43.00606  ?  668 GLN A O   1 
ATOM   416  C CB  . GLN A 1 91  ? 4.59926   -26.63874 -12.62045 1.000 44.78514  ?  668 GLN A CB  1 
ATOM   417  C CG  . GLN A 1 91  ? 4.23134   -28.07469 -12.27099 1.000 43.69898  ?  668 GLN A CG  1 
ATOM   418  C CD  . GLN A 1 91  ? 3.81339   -28.84778 -13.48644 1.000 44.22998  ?  668 GLN A CD  1 
ATOM   419  O OE1 . GLN A 1 91  ? 2.71698   -28.66498 -14.00270 1.000 40.94768  ?  668 GLN A OE1 1 
ATOM   420  N NE2 . GLN A 1 91  ? 4.71361   -29.68054 -13.99609 1.000 44.65176  ?  668 GLN A NE2 1 
ATOM   421  N N   . THR A 1 92  ? 6.74920   -24.28535 -12.32929 1.000 40.51517  ?  669 THR A N   1 
ATOM   422  C CA  . THR A 1 92  ? 7.25704   -23.05114 -12.90521 1.000 38.24883  ?  669 THR A CA  1 
ATOM   423  C C   . THR A 1 92  ? 6.69231   -22.85765 -14.30994 1.000 39.69471  ?  669 THR A C   1 
ATOM   424  O O   . THR A 1 92  ? 6.13721   -23.77422 -14.92436 1.000 36.18722  ?  669 THR A O   1 
ATOM   425  C CB  . THR A 1 92  ? 8.78362   -23.07946 -12.98242 1.000 39.18037  ?  669 THR A CB  1 
ATOM   426  O OG1 . THR A 1 92  ? 9.17612   -24.15534 -13.83859 1.000 38.10800  ?  669 THR A OG1 1 
ATOM   427  C CG2 . THR A 1 92  ? 9.41257   -23.28508 -11.58472 1.000 42.14532  ?  669 THR A CG2 1 
ATOM   428  N N   . LEU A 1 93  ? 6.86473   -21.64428 -14.83064 1.000 38.12862  ?  670 LEU A N   1 
ATOM   429  C CA  . LEU A 1 93  ? 6.52264   -21.39132 -16.22131 1.000 39.98531  ?  670 LEU A CA  1 
ATOM   430  C C   . LEU A 1 93  ? 7.13618   -22.44572 -17.14395 1.000 35.05500  ?  670 LEU A C   1 
ATOM   431  O O   . LEU A 1 93  ? 6.44633   -23.02574 -17.98120 1.000 39.31677  ?  670 LEU A O   1 
ATOM   432  C CB  . LEU A 1 93  ? 6.96145   -19.97729 -16.62479 1.000 43.41533  ?  670 LEU A CB  1 
ATOM   433  C CG  . LEU A 1 93  ? 6.62992   -19.59652 -18.07386 1.000 39.87292  ?  670 LEU A CG  1 
ATOM   434  C CD1 . LEU A 1 93  ? 5.16183   -19.80304 -18.31688 1.000 35.92774  ?  670 LEU A CD1 1 
ATOM   435  C CD2 . LEU A 1 93  ? 7.02870   -18.16830 -18.42993 1.000 37.51929  ?  670 LEU A CD2 1 
ATOM   436  N N   . GLU A 1 94  ? 8.41975   -22.74113 -16.97560 1.000 38.60920  ?  671 GLU A N   1 
ATOM   437  C CA  . GLU A 1 94  ? 9.09911   -23.64382 -17.90107 1.000 38.77614  ?  671 GLU A CA  1 
ATOM   438  C C   . GLU A 1 94  ? 8.57299   -25.06905 -17.79275 1.000 39.51829  ?  671 GLU A C   1 
ATOM   439  O O   . GLU A 1 94  ? 8.44339   -25.76384 -18.80558 1.000 37.28259  ?  671 GLU A O   1 
ATOM   440  C CB  . GLU A 1 94  ? 10.60942  -23.62174 -17.64826 1.000 44.91047  ?  671 GLU A CB  1 
ATOM   441  C CG  . GLU A 1 94  ? 11.30987  -24.90012 -18.05500 1.000 45.58079  ?  671 GLU A CG  1 
ATOM   442  C CD  . GLU A 1 94  ? 12.71669  -24.99055 -17.46549 1.000 62.72887  ?  671 GLU A CD  1 
ATOM   443  O OE1 . GLU A 1 94  ? 13.46262  -23.97894 -17.53609 1.000 66.59987  ?  671 GLU A OE1 1 
ATOM   444  O OE2 . GLU A 1 94  ? 13.06088  -26.05618 -16.89124 1.000 64.46716  ?  671 GLU A OE2 1 
ATOM   445  N N   . GLU A 1 95  ? 8.30580   -25.53885 -16.57436 1.000 40.74140  ?  672 GLU A N   1 
ATOM   446  C CA  . GLU A 1 95  ? 7.73599   -26.87321 -16.42405 1.000 40.04914  ?  672 GLU A CA  1 
ATOM   447  C C   . GLU A 1 95  ? 6.33943   -26.94884 -17.02575 1.000 37.69667  ?  672 GLU A C   1 
ATOM   448  O O   . GLU A 1 95  ? 6.01660   -27.90306 -17.73591 1.000 39.20508  ?  672 GLU A O   1 
ATOM   449  C CB  . GLU A 1 95  ? 7.69194   -27.27692 -14.95314 1.000 37.67206  ?  672 GLU A CB  1 
ATOM   450  C CG  . GLU A 1 95  ? 9.03429   -27.51108 -14.30130 1.000 39.34304  ?  672 GLU A CG  1 
ATOM   451  C CD  . GLU A 1 95  ? 8.92796   -27.54533 -12.76464 1.000 42.50404  ?  672 GLU A CD  1 
ATOM   452  O OE1 . GLU A 1 95  ? 7.99274   -26.91777 -12.22352 1.000 46.39132  ?  672 GLU A OE1 1 
ATOM   453  O OE2 . GLU A 1 95  ? 9.78004   -28.17441 -12.09632 1.000 45.49597  ?  672 GLU A OE2 1 
ATOM   454  N N   . ARG A 1 96  ? 5.49625   -25.95417 -16.75629 1.000 40.66453  ?  673 ARG A N   1 
ATOM   455  C CA  . ARG A 1 96  ? 4.15141   -25.97471 -17.32008 1.000 37.08293  ?  673 ARG A CA  1 
ATOM   456  C C   . ARG A 1 96  ? 4.20320   -25.92468 -18.83713 1.000 38.57989  ?  673 ARG A C   1 
ATOM   457  O O   . ARG A 1 96  ? 3.39612   -26.56977 -19.51957 1.000 37.64345  ?  673 ARG A O   1 
ATOM   458  C CB  . ARG A 1 96  ? 3.32265   -24.81422 -16.77020 1.000 37.27524  ?  673 ARG A CB  1 
ATOM   459  C CG  . ARG A 1 96  ? 3.11452   -24.84817 -15.25147 1.000 40.13953  ?  673 ARG A CG  1 
ATOM   460  C CD  . ARG A 1 96  ? 2.27846   -23.66973 -14.74744 1.000 39.99204  ?  673 ARG A CD  1 
ATOM   461  N NE  . ARG A 1 96  ? 3.04588   -22.44281 -14.55504 1.000 38.69577  ?  673 ARG A NE  1 
ATOM   462  C CZ  . ARG A 1 96  ? 2.73207   -21.27549 -15.10690 1.000 42.28845  ?  673 ARG A CZ  1 
ATOM   463  N NH1 . ARG A 1 96  ? 1.69902   -21.15463 -15.92898 1.000 38.19415  ?  673 ARG A NH1 1 
ATOM   464  N NH2 . ARG A 1 96  ? 3.45884   -20.19758 -14.81140 1.000 40.45228  ?  673 ARG A NH2 1 
ATOM   465  N N   . THR A 1 97  ? 5.14965   -25.16496 -19.37924 1.000 36.20751  ?  674 THR A N   1 
ATOM   466  C CA  . THR A 1 97  ? 5.25474   -25.00907 -20.82278 1.000 36.81181  ?  674 THR A CA  1 
ATOM   467  C C   . THR A 1 97  ? 5.78463   -26.27473 -21.48525 1.000 36.12397  ?  674 THR A C   1 
ATOM   468  O O   . THR A 1 97  ? 5.32562   -26.66303 -22.56656 1.000 36.86357  ?  674 THR A O   1 
ATOM   469  C CB  . THR A 1 97  ? 6.16355   -23.83195 -21.14202 1.000 33.88640  ?  674 THR A CB  1 
ATOM   470  O OG1 . THR A 1 97  ? 5.59490   -22.64040 -20.60027 1.000 33.70199  ?  674 THR A OG1 1 
ATOM   471  C CG2 . THR A 1 97  ? 6.33546   -23.67235 -22.64586 1.000 33.08563  ?  674 THR A CG2 1 
ATOM   472  N N   . GLU A 1 98  ? 6.73949   -26.93257 -20.85747 1.000 35.21641  ?  675 GLU A N   1 
ATOM   473  C CA  . GLU A 1 98  ? 7.30592   -28.12012 -21.48248 1.000 41.09696  ?  675 GLU A CA  1 
ATOM   474  C C   . GLU A 1 98  ? 6.28294   -29.24418 -21.54909 1.000 38.04383  ?  675 GLU A C   1 
ATOM   475  O O   . GLU A 1 98  ? 6.23893   -29.99790 -22.52905 1.000 38.78029  ?  675 GLU A O   1 
ATOM   476  C CB  . GLU A 1 98  ? 8.54298   -28.57641 -20.72111 1.000 39.15193  ?  675 GLU A CB  1 
ATOM   477  C CG  . GLU A 1 98  ? 9.63660   -29.04548 -21.63061 1.000 48.54615  ?  675 GLU A CG  1 
ATOM   478  C CD  . GLU A 1 98  ? 10.80692  -29.60271 -20.87660 1.000 51.93731  ?  675 GLU A CD  1 
ATOM   479  O OE1 . GLU A 1 98  ? 11.38462  -28.86999 -20.03146 1.000 56.58274  ?  675 GLU A OE1 1 
ATOM   480  O OE2 . GLU A 1 98  ? 11.13701  -30.78602 -21.11811 1.000 57.54801  ?  675 GLU A OE2 1 
ATOM   481  N N   . THR A 1 99  ? 5.46481   -29.39561 -20.51062 1.000 37.40065  ?  676 THR A N   1 
ATOM   482  C CA  . THR A 1 99  ? 4.45693   -30.44731 -20.56974 1.000 37.80140  ?  676 THR A CA  1 
ATOM   483  C C   . THR A 1 99  ? 3.53548   -30.24096 -21.76635 1.000 36.38966  ?  676 THR A C   1 
ATOM   484  O O   . THR A 1 99  ? 3.21485   -31.19442 -22.47916 1.000 36.43648  ?  676 THR A O   1 
ATOM   485  C CB  . THR A 1 99  ? 3.65258   -30.51069 -19.27298 1.000 37.30819  ?  676 THR A CB  1 
ATOM   486  O OG1 . THR A 1 99  ? 4.53545   -30.69084 -18.16691 1.000 38.41229  ?  676 THR A OG1 1 
ATOM   487  C CG2 . THR A 1 99  ? 2.71648   -31.69747 -19.31673 1.000 41.25094  ?  676 THR A CG2 1 
ATOM   488  N N   . LEU A 1 100 ? 3.12299   -28.99272 -22.01604 1.000 36.19404  ?  677 LEU A N   1 
ATOM   489  C CA  . LEU A 1 100 ? 2.16239   -28.71592 -23.08197 1.000 33.95107  ?  677 LEU A CA  1 
ATOM   490  C C   . LEU A 1 100 ? 2.70355   -29.07622 -24.45021 1.000 34.72060  ?  677 LEU A C   1 
ATOM   491  O O   . LEU A 1 100 ? 1.93816   -29.46188 -25.33867 1.000 35.23135  ?  677 LEU A O   1 
ATOM   492  C CB  . LEU A 1 100 ? 1.78102   -27.24582 -23.06210 1.000 37.68409  ?  677 LEU A CB  1 
ATOM   493  C CG  . LEU A 1 100 ? 0.78685   -26.98018 -21.94643 1.000 32.77103  ?  677 LEU A CG  1 
ATOM   494  C CD1 . LEU A 1 100 ? 0.84733   -25.49911 -21.58472 1.000 37.05407  ?  677 LEU A CD1 1 
ATOM   495  C CD2 . LEU A 1 100 ? -0.57759  -27.39239 -22.42068 1.000 36.13979  ?  677 LEU A CD2 1 
ATOM   496  N N   . LYS A 1 101 ? 4.02157   -28.95859 -24.63948 1.000 36.77405  ?  678 LYS A N   1 
ATOM   497  C CA  . LYS A 1 101 ? 4.63983   -29.34566 -25.89620 1.000 37.84735  ?  678 LYS A CA  1 
ATOM   498  C C   . LYS A 1 101 ? 4.40932   -30.82272 -26.20689 1.000 37.41345  ?  678 LYS A C   1 
ATOM   499  O O   . LYS A 1 101 ? 4.49256   -31.21728 -27.37077 1.000 36.89795  ?  678 LYS A O   1 
ATOM   500  C CB  . LYS A 1 101 ? 6.13886   -28.98383 -25.84251 1.000 37.34902  ?  678 LYS A CB  1 
ATOM   501  C CG  . LYS A 1 101 ? 7.06475   -29.80139 -26.69969 1.000 44.22572  ?  678 LYS A CG  1 
ATOM   502  C CD  . LYS A 1 101 ? 8.53335   -29.43946 -26.41675 1.000 43.73726  ?  678 LYS A CD  1 
ATOM   503  C CE  . LYS A 1 101 ? 9.26951   -30.53246 -25.63104 1.000 45.87934  ?  678 LYS A CE  1 
ATOM   504  N NZ  . LYS A 1 101 ? 10.62011  -30.85819 -26.22081 1.000 51.85517  ?  678 LYS A NZ  1 
ATOM   505  N N   . HIS A 1 102 ? 4.08770   -31.64930 -25.21184 1.000 36.14652  ?  679 HIS A N   1 
ATOM   506  C CA  . HIS A 1 102 ? 3.84177   -33.06494 -25.48571 1.000 36.89991  ?  679 HIS A CA  1 
ATOM   507  C C   . HIS A 1 102 ? 2.37810   -33.39182 -25.80748 1.000 35.30939  ?  679 HIS A C   1 
ATOM   508  O O   . HIS A 1 102 ? 2.04373   -34.56724 -25.97160 1.000 35.82419  ?  679 HIS A O   1 
ATOM   509  C CB  . HIS A 1 102 ? 4.29890   -33.90374 -24.30319 1.000 33.78157  ?  679 HIS A CB  1 
ATOM   510  C CG  . HIS A 1 102 ? 5.76986   -33.84575 -24.08290 1.000 37.71271  ?  679 HIS A CG  1 
ATOM   511  N ND1 . HIS A 1 102 ? 6.63453   -34.77911 -24.61648 1.000 38.14787  ?  679 HIS A ND1 1 
ATOM   512  C CD2 . HIS A 1 102 ? 6.53982   -32.93778 -23.44414 1.000 35.17827  ?  679 HIS A CD2 1 
ATOM   513  C CE1 . HIS A 1 102 ? 7.87341   -34.46151 -24.28973 1.000 39.95915  ?  679 HIS A CE1 1 
ATOM   514  N NE2 . HIS A 1 102 ? 7.84281   -33.34392 -23.58735 1.000 40.42550  ?  679 HIS A NE2 1 
ATOM   515  N N   . ILE A 1 103 ? 1.50023   -32.40682 -25.91185 1.000 34.62976  ?  680 ILE A N   1 
ATOM   516  C CA  . ILE A 1 103 ? 0.05993   -32.66995 -26.01723 1.000 36.08676  ?  680 ILE A CA  1 
ATOM   517  C C   . ILE A 1 103 ? -0.33498  -32.60213 -27.48397 1.000 37.43893  ?  680 ILE A C   1 
ATOM   518  O O   . ILE A 1 103 ? -0.02808  -31.62232 -28.17856 1.000 36.71168  ?  680 ILE A O   1 
ATOM   519  C CB  . ILE A 1 103 ? -0.76028  -31.68932 -25.16905 1.000 34.77788  ?  680 ILE A CB  1 
ATOM   520  C CG1 . ILE A 1 103 ? -0.40138  -31.84701 -23.68248 1.000 35.12811  ?  680 ILE A CG1 1 
ATOM   521  C CG2 . ILE A 1 103 ? -2.26479  -31.91794 -25.36645 1.000 36.30830  ?  680 ILE A CG2 1 
ATOM   522  C CD1 . ILE A 1 103 ? -0.48344  -33.27765 -23.17359 1.000 33.46264  ?  680 ILE A CD1 1 
ATOM   523  N N   . ARG A 1 104 ? -1.00308  -33.65896 -27.94647 1.000 34.55704  ?  681 ARG A N   1 
ATOM   524  C CA  . ARG A 1 104 ? -1.33758  -33.83372 -29.35504 1.000 35.50529  ?  681 ARG A CA  1 
ATOM   525  C C   . ARG A 1 104 ? -2.03038  -32.61722 -29.96305 1.000 38.59657  ?  681 ARG A C   1 
ATOM   526  O O   . ARG A 1 104 ? -1.82543  -32.30896 -31.14298 1.000 38.06147  ?  681 ARG A O   1 
ATOM   527  C CB  . ARG A 1 104 ? -2.23884  -35.06236 -29.50169 1.000 37.68068  ?  681 ARG A CB  1 
ATOM   528  C CG  . ARG A 1 104 ? -2.57325  -35.41650 -30.93783 1.000 41.58633  ?  681 ARG A CG  1 
ATOM   529  C CD  . ARG A 1 104 ? -3.71337  -36.41886 -30.98742 1.000 43.05616  ?  681 ARG A CD  1 
ATOM   530  N NE  . ARG A 1 104 ? -3.48139  -37.59264 -30.15704 1.000 41.91482  ?  681 ARG A NE  1 
ATOM   531  C CZ  . ARG A 1 104 ? -2.65130  -38.58637 -30.46158 1.000 48.02048  ?  681 ARG A CZ  1 
ATOM   532  N NH1 . ARG A 1 104 ? -1.92258  -38.56712 -31.56909 1.000 47.39766  ?  681 ARG A NH1 1 
ATOM   533  N NH2 . ARG A 1 104 ? -2.56170  -39.63726 -29.64090 1.000 43.84747  ?  681 ARG A NH2 1 
ATOM   534  N N   . TRP A 1 105 ? -2.87696  -31.93562 -29.18837 1.000 30.60142  ?  682 TRP A N   1 
ATOM   535  C CA  . TRP A 1 105 ? -3.74774  -30.90542 -29.75070 1.000 35.95247  ?  682 TRP A CA  1 
ATOM   536  C C   . TRP A 1 105 ? -3.05526  -29.56498 -29.90044 1.000 36.93762  ?  682 TRP A C   1 
ATOM   537  O O   . TRP A 1 105 ? -3.57770  -28.69903 -30.60223 1.000 34.01985  ?  682 TRP A O   1 
ATOM   538  C CB  . TRP A 1 105 ? -4.99478  -30.71232 -28.87280 1.000 33.28321  ?  682 TRP A CB  1 
ATOM   539  C CG  . TRP A 1 105 ? -5.50100  -32.01159 -28.31434 1.000 36.57246  ?  682 TRP A CG  1 
ATOM   540  C CD1 . TRP A 1 105 ? -5.50234  -32.39376 -27.00386 1.000 33.37949  ?  682 TRP A CD1 1 
ATOM   541  C CD2 . TRP A 1 105 ? -6.04078  -33.12180 -29.05814 1.000 35.12616  ?  682 TRP A CD2 1 
ATOM   542  N NE1 . TRP A 1 105 ? -6.01676  -33.66191 -26.88544 1.000 35.34961  ?  682 TRP A NE1 1 
ATOM   543  C CE2 . TRP A 1 105 ? -6.34642  -34.13681 -28.12584 1.000 33.25864  ?  682 TRP A CE2 1 
ATOM   544  C CE3 . TRP A 1 105 ? -6.27861  -33.35976 -30.41993 1.000 34.79672  ?  682 TRP A CE3 1 
ATOM   545  C CZ2 . TRP A 1 105 ? -6.88614  -35.36370 -28.50225 1.000 35.10818  ?  682 TRP A CZ2 1 
ATOM   546  C CZ3 . TRP A 1 105 ? -6.80355  -34.59285 -30.79595 1.000 37.02630  ?  682 TRP A CZ3 1 
ATOM   547  C CH2 . TRP A 1 105 ? -7.11390  -35.57120 -29.83723 1.000 38.01139  ?  682 TRP A CH2 1 
ATOM   548  N N   . VAL A 1 106 ? -1.90818  -29.37863 -29.25243 1.000 37.69476  ?  683 VAL A N   1 
ATOM   549  C CA  . VAL A 1 106 ? -1.24759  -28.07509 -29.16824 1.000 36.34191  ?  683 VAL A CA  1 
ATOM   550  C C   . VAL A 1 106 ? -0.40082  -27.86286 -30.41574 1.000 37.65938  ?  683 VAL A C   1 
ATOM   551  O O   . VAL A 1 106 ? 0.51959   -28.63576 -30.69233 1.000 35.66122  ?  683 VAL A O   1 
ATOM   552  C CB  . VAL A 1 106 ? -0.38863  -27.98377 -27.90198 1.000 36.07857  ?  683 VAL A CB  1 
ATOM   553  C CG1 . VAL A 1 106 ? 0.39794   -26.65652 -27.86974 1.000 35.01957  ?  683 VAL A CG1 1 
ATOM   554  C CG2 . VAL A 1 106 ? -1.26410  -28.16207 -26.68705 1.000 33.60613  ?  683 VAL A CG2 1 
ATOM   555  N N   . ASP A 1 107 ? -0.72110  -26.82811 -31.18675 1.000 39.79950  ?  684 ASP A N   1 
ATOM   556  C CA  . ASP A 1 107 ? 0.04319   -26.54279 -32.39740 1.000 36.49769  ?  684 ASP A CA  1 
ATOM   557  C C   . ASP A 1 107 ? 1.14012   -25.51617 -32.16258 1.000 33.99024  ?  684 ASP A C   1 
ATOM   558  O O   . ASP A 1 107 ? 2.24323   -25.65628 -32.68542 1.000 34.53808  ?  684 ASP A O   1 
ATOM   559  C CB  . ASP A 1 107 ? -0.88829  -26.05214 -33.51641 1.000 33.84965  ?  684 ASP A CB  1 
ATOM   560  C CG  . ASP A 1 107 ? -1.90005  -27.09148 -33.91524 1.000 39.35101  ?  684 ASP A CG  1 
ATOM   561  O OD1 . ASP A 1 107 ? -1.49294  -28.24578 -34.11158 1.000 38.55844  ?  684 ASP A OD1 1 
ATOM   562  O OD2 . ASP A 1 107 ? -3.10922  -26.76689 -34.02114 1.000 38.30583  ?  684 ASP A OD2 1 
ATOM   563  N N   . GLU A 1 108 ? 0.86469   -24.49196 -31.37210 1.000 38.60748  ?  685 GLU A N   1 
ATOM   564  C CA  . GLU A 1 108 ? 1.83551   -23.44961 -31.10690 1.000 39.20822  ?  685 GLU A CA  1 
ATOM   565  C C   . GLU A 1 108 ? 1.66317   -23.02206 -29.66238 1.000 34.90658  ?  685 GLU A C   1 
ATOM   566  O O   . GLU A 1 108 ? 0.60778   -23.22424 -29.05794 1.000 35.63029  ?  685 GLU A O   1 
ATOM   567  C CB  . GLU A 1 108 ? 1.65398   -22.27043 -32.06267 1.000 36.76473  ?  685 GLU A CB  1 
ATOM   568  C CG  . GLU A 1 108 ? 1.66762   -22.67980 -33.52275 1.000 42.71124  ?  685 GLU A CG  1 
ATOM   569  C CD  . GLU A 1 108 ? 1.58262   -21.49385 -34.45739 1.000 45.28825  ?  685 GLU A CD  1 
ATOM   570  O OE1 . GLU A 1 108 ? 1.32278   -20.37799 -33.96407 1.000 46.01099  ?  685 GLU A OE1 1 
ATOM   571  O OE2 . GLU A 1 108 ? 1.81648   -21.67013 -35.67457 1.000 54.19986  ?  685 GLU A OE2 1 
ATOM   572  N N   . ILE A 1 109 ? 2.71333   -22.45013 -29.09096 1.000 34.86249  ?  686 ILE A N   1 
ATOM   573  C CA  . ILE A 1 109 ? 2.67604   -22.03090 -27.69529 1.000 33.29055  ?  686 ILE A CA  1 
ATOM   574  C C   . ILE A 1 109 ? 3.21920   -20.61818 -27.57712 1.000 34.71604  ?  686 ILE A C   1 
ATOM   575  O O   . ILE A 1 109 ? 4.27040   -20.30276 -28.14706 1.000 36.94070  ?  686 ILE A O   1 
ATOM   576  C CB  . ILE A 1 109 ? 3.46036   -22.99000 -26.79067 1.000 35.86952  ?  686 ILE A CB  1 
ATOM   577  C CG1 . ILE A 1 109 ? 2.72041   -24.33070 -26.66652 1.000 33.67104  ?  686 ILE A CG1 1 
ATOM   578  C CG2 . ILE A 1 109 ? 3.69582   -22.35422 -25.43196 1.000 34.45220  ?  686 ILE A CG2 1 
ATOM   579  C CD1 . ILE A 1 109 ? 3.35430   -25.25619 -25.66454 1.000 40.04830  ?  686 ILE A CD1 1 
ATOM   580  N N   . ILE A 1 110 ? 2.49753   -19.76608 -26.85089 1.000 34.95346  ?  687 ILE A N   1 
ATOM   581  C CA  . ILE A 1 110 ? 3.00090   -18.45752 -26.44936 1.000 40.43343  ?  687 ILE A CA  1 
ATOM   582  C C   . ILE A 1 110 ? 3.29276   -18.52521 -24.96190 1.000 38.10787  ?  687 ILE A C   1 
ATOM   583  O O   . ILE A 1 110 ? 2.36980   -18.63628 -24.14350 1.000 36.18021  ?  687 ILE A O   1 
ATOM   584  C CB  . ILE A 1 110 ? 2.01072   -17.33377 -26.75935 1.000 39.09820  ?  687 ILE A CB  1 
ATOM   585  C CG1 . ILE A 1 110 ? 1.70394   -17.31866 -28.25956 1.000 37.65441  ?  687 ILE A CG1 1 
ATOM   586  C CG2 . ILE A 1 110 ? 2.61129   -16.01408 -26.32284 1.000 39.89042  ?  687 ILE A CG2 1 
ATOM   587  C CD1 . ILE A 1 110 ? 0.77938   -16.23848 -28.66156 1.000 39.12781  ?  687 ILE A CD1 1 
ATOM   588  N N   . SER A 1 111 ? 4.57602   -18.44935 -24.60398 1.000 35.04622  ?  688 SER A N   1 
ATOM   589  C CA  . SER A 1 111 ? 4.97993   -18.60940 -23.21215 1.000 36.60417  ?  688 SER A CA  1 
ATOM   590  C C   . SER A 1 111 ? 6.14726   -17.69487 -22.88405 1.000 37.66531  ?  688 SER A C   1 
ATOM   591  O O   . SER A 1 111 ? 7.21928   -17.83186 -23.49053 1.000 38.80256  ?  688 SER A O   1 
ATOM   592  C CB  . SER A 1 111 ? 5.36202   -20.06698 -22.93859 1.000 34.01383  ?  688 SER A CB  1 
ATOM   593  O OG  . SER A 1 111 ? 5.58404   -20.28155 -21.56230 1.000 32.34905  ?  688 SER A OG  1 
ATOM   594  N N   . PRO A 1 112 ? 5.98077   -16.73838 -21.94726 1.000 36.73263  ?  689 PRO A N   1 
ATOM   595  C CA  . PRO A 1 112 ? 4.69312   -16.51820 -21.30364 1.000 32.70357  ?  689 PRO A CA  1 
ATOM   596  C C   . PRO A 1 112 ? 3.72352   -15.77755 -22.22365 1.000 40.17718  ?  689 PRO A C   1 
ATOM   597  O O   . PRO A 1 112 ? 4.12647   -15.21218 -23.24665 1.000 40.62642  ?  689 PRO A O   1 
ATOM   598  C CB  . PRO A 1 112 ? 5.04260   -15.65317 -20.09375 1.000 36.85078  ?  689 PRO A CB  1 
ATOM   599  C CG  . PRO A 1 112 ? 6.23569   -14.86034 -20.56891 1.000 38.45542  ?  689 PRO A CG  1 
ATOM   600  C CD  . PRO A 1 112 ? 7.01932   -15.82413 -21.43072 1.000 37.17908  ?  689 PRO A CD  1 
ATOM   601  N N   . CYS A 1 113 ? 2.45593   -15.76544 -21.83971 1.000 37.90672  ?  690 CYS A N   1 
ATOM   602  C CA  . CYS A 1 113 ? 1.41751   -15.03284 -22.53537 1.000 38.22702  ?  690 CYS A CA  1 
ATOM   603  C C   . CYS A 1 113 ? 0.91907   -13.88439 -21.67514 1.000 41.22741  ?  690 CYS A C   1 
ATOM   604  O O   . CYS A 1 113 ? 1.03401   -13.91644 -20.44590 1.000 40.72981  ?  690 CYS A O   1 
ATOM   605  C CB  . CYS A 1 113 ? 0.24392   -15.95812 -22.85741 1.000 39.69077  ?  690 CYS A CB  1 
ATOM   606  S SG  . CYS A 1 113 ? -0.70115  -16.42257 -21.36844 1.000 34.84927  ?  690 CYS A SG  1 
ATOM   607  N N   . PRO A 1 114 ? 0.33499   -12.85770 -22.28152 1.000 44.15823  ?  691 PRO A N   1 
ATOM   608  C CA  . PRO A 1 114 ? -0.22086  -11.76530 -21.48068 1.000 42.89216  ?  691 PRO A CA  1 
ATOM   609  C C   . PRO A 1 114 ? -1.32784  -12.28200 -20.57532 1.000 46.04739  ?  691 PRO A C   1 
ATOM   610  O O   . PRO A 1 114 ? -1.93576  -13.32378 -20.82350 1.000 46.63798  ?  691 PRO A O   1 
ATOM   611  C CB  . PRO A 1 114 ? -0.75641  -10.78499 -22.53101 1.000 42.97310  ?  691 PRO A CB  1 
ATOM   612  C CG  . PRO A 1 114 ? -0.06353  -11.17120 -23.81214 1.000 46.79567  ?  691 PRO A CG  1 
ATOM   613  C CD  . PRO A 1 114 ? 0.11974   -12.65129 -23.72192 1.000 39.70522  ?  691 PRO A CD  1 
ATOM   614  N N   . TRP A 1 115 ? -1.56297  -11.55583 -19.48442 1.000 47.32857  ?  692 TRP A N   1 
ATOM   615  C CA  . TRP A 1 115 ? -2.60882  -11.97586 -18.56093 1.000 50.25226  ?  692 TRP A CA  1 
ATOM   616  C C   . TRP A 1 115 ? -3.99502  -11.65550 -19.10900 1.000 49.58183  ?  692 TRP A C   1 
ATOM   617  O O   . TRP A 1 115 ? -4.91051  -12.47991 -19.00771 1.000 50.43164  ?  692 TRP A O   1 
ATOM   618  C CB  . TRP A 1 115 ? -2.40823  -11.32181 -17.18960 1.000 53.92473  ?  692 TRP A CB  1 
ATOM   619  C CG  . TRP A 1 115 ? -3.36195  -11.85094 -16.16734 1.000 55.12209  ?  692 TRP A CG  1 
ATOM   620  C CD1 . TRP A 1 115 ? -4.48538  -11.23090 -15.68925 1.000 55.73094  ?  692 TRP A CD1 1 
ATOM   621  C CD2 . TRP A 1 115 ? -3.29705  -13.12446 -15.51023 1.000 53.87083  ?  692 TRP A CD2 1 
ATOM   622  N NE1 . TRP A 1 115 ? -5.11728  -12.04048 -14.77567 1.000 56.07175  ?  692 TRP A NE1 1 
ATOM   623  C CE2 . TRP A 1 115 ? -4.40857  -13.20544 -14.64311 1.000 56.11586  ?  692 TRP A CE2 1 
ATOM   624  C CE3 . TRP A 1 115 ? -2.42003  -14.20929 -15.58282 1.000 50.65970  ?  692 TRP A CE3 1 
ATOM   625  C CZ2 . TRP A 1 115 ? -4.65694  -14.32790 -13.84784 1.000 58.28016  ?  692 TRP A CZ2 1 
ATOM   626  C CZ3 . TRP A 1 115 ? -2.66559  -15.32174 -14.79083 1.000 53.26812  ?  692 TRP A CZ3 1 
ATOM   627  C CH2 . TRP A 1 115 ? -3.77099  -15.37211 -13.93235 1.000 54.86176  ?  692 TRP A CH2 1 
ATOM   628  N N   . VAL A 1 116 ? -4.16631  -10.48278 -19.71524 1.000 49.94900  ?  693 VAL A N   1 
ATOM   629  C CA  . VAL A 1 116 ? -5.43286  -10.08808 -20.32552 1.000 50.53045  ?  693 VAL A CA  1 
ATOM   630  C C   . VAL A 1 116 ? -5.26394  -10.07899 -21.83778 1.000 45.23474  ?  693 VAL A C   1 
ATOM   631  O O   . VAL A 1 116 ? -4.32528  -9.46556  -22.36381 1.000 50.32990  ?  693 VAL A O   1 
ATOM   632  C CB  . VAL A 1 116 ? -5.90215  -8.70778  -19.83693 1.000 51.65800  ?  693 VAL A CB  1 
ATOM   633  C CG1 . VAL A 1 116 ? -7.17080  -8.29166  -20.59468 1.000 49.88548  ?  693 VAL A CG1 1 
ATOM   634  C CG2 . VAL A 1 116 ? -6.11585  -8.70485  -18.32960 1.000 53.54356  ?  693 VAL A CG2 1 
ATOM   635  N N   . VAL A 1 117 ? -6.17373  -10.75498 -22.53195 1.000 44.32959  ?  694 VAL A N   1 
ATOM   636  C CA  . VAL A 1 117 ? -6.25303  -10.65850 -23.98336 1.000 44.13361  ?  694 VAL A CA  1 
ATOM   637  C C   . VAL A 1 117 ? -6.72386  -9.26718  -24.38662 1.000 49.50189  ?  694 VAL A C   1 
ATOM   638  O O   . VAL A 1 117 ? -7.64750  -8.70411  -23.78270 1.000 51.06788  ?  694 VAL A O   1 
ATOM   639  C CB  . VAL A 1 117 ? -7.20312  -11.74101 -24.51529 1.000 45.85144  ?  694 VAL A CB  1 
ATOM   640  C CG1 . VAL A 1 117 ? -7.08094  -11.87570 -26.02402 1.000 42.71727  ?  694 VAL A CG1 1 
ATOM   641  C CG2 . VAL A 1 117 ? -6.92115  -13.04995 -23.82286 1.000 45.09799  ?  694 VAL A CG2 1 
ATOM   642  N N   . THR A 1 118 ? -6.09649  -8.69973  -25.41355 1.000 49.95252  ?  695 THR A N   1 
ATOM   643  C CA  . THR A 1 118 ? -6.51116  -7.42275  -25.97291 1.000 49.78075  ?  695 THR A CA  1 
ATOM   644  C C   . THR A 1 118 ? -6.77961  -7.57802  -27.46013 1.000 47.59337  ?  695 THR A C   1 
ATOM   645  O O   . THR A 1 118 ? -6.30768  -8.53114  -28.08436 1.000 47.37186  ?  695 THR A O   1 
ATOM   646  C CB  . THR A 1 118 ? -5.44218  -6.33584  -25.78479 1.000 51.44860  ?  695 THR A CB  1 
ATOM   647  O OG1 . THR A 1 118 ? -4.31238  -6.63898  -26.61138 1.000 50.54121  ?  695 THR A OG1 1 
ATOM   648  C CG2 . THR A 1 118 ? -4.99113  -6.26310  -24.34541 1.000 54.31202  ?  695 THR A CG2 1 
ATOM   649  N N   . PRO A 1 119 ? -7.50516  -6.64076  -28.07103 1.000 49.39757  ?  696 PRO A N   1 
ATOM   650  C CA  . PRO A 1 119 ? -7.70991  -6.72668  -29.52476 1.000 50.58523  ?  696 PRO A CA  1 
ATOM   651  C C   . PRO A 1 119 ? -6.41483  -6.57263  -30.31202 1.000 51.18173  ?  696 PRO A C   1 
ATOM   652  O O   . PRO A 1 119 ? -6.28739  -7.15981  -31.39405 1.000 50.67903  ?  696 PRO A O   1 
ATOM   653  C CB  . PRO A 1 119 ? -8.69623  -5.58319  -29.81259 1.000 53.38318  ?  696 PRO A CB  1 
ATOM   654  C CG  . PRO A 1 119 ? -9.19473  -5.11981  -28.47087 1.000 53.20827  ?  696 PRO A CG  1 
ATOM   655  C CD  . PRO A 1 119 ? -8.08154  -5.40916  -27.51334 1.000 54.03268  ?  696 PRO A CD  1 
ATOM   656  N N   . GLU A 1 120 ? -5.45249  -5.79133  -29.80424 1.000 51.37963  ?  697 GLU A N   1 
ATOM   657  C CA  . GLU A 1 120 ? -4.11155  -5.76699  -30.39249 1.000 51.53898  ?  697 GLU A CA  1 
ATOM   658  C C   . GLU A 1 120 ? -3.52436  -7.16676  -30.44867 1.000 49.09178  ?  697 GLU A C   1 
ATOM   659  O O   . GLU A 1 120 ? -2.97328  -7.58504  -31.47338 1.000 48.30021  ?  697 GLU A O   1 
ATOM   660  C CB  . GLU A 1 120 ? -3.16358  -4.87160  -29.58301 1.000 46.70318  ?  697 GLU A CB  1 
ATOM   661  C CG  . GLU A 1 120 ? -3.40420  -3.38427  -29.65061 1.000 51.80596  ?  697 GLU A CG  1 
ATOM   662  C CD  . GLU A 1 120 ? -4.76959  -3.00355  -29.13380 1.000 60.61812  ?  697 GLU A CD  1 
ATOM   663  O OE1 . GLU A 1 120 ? -5.27139  -3.70187  -28.22006 1.000 60.44762  ?  697 GLU A OE1 1 
ATOM   664  O OE2 . GLU A 1 120 ? -5.32355  -1.98660  -29.61446 1.000 68.34992  ?  697 GLU A OE2 1 
ATOM   665  N N   . PHE A 1 121 ? -3.59579  -7.89086  -29.32559 1.000 45.08963  ?  698 PHE A N   1 
ATOM   666  C CA  . PHE A 1 121 ? -3.04380  -9.23778  -29.28057 1.000 43.27076  ?  698 PHE A CA  1 
ATOM   667  C C   . PHE A 1 121 ? -3.66262  -10.11275 -30.35941 1.000 45.67728  ?  698 PHE A C   1 
ATOM   668  O O   . PHE A 1 121 ? -2.94885  -10.83896 -31.06416 1.000 40.67851  ?  698 PHE A O   1 
ATOM   669  C CB  . PHE A 1 121 ? -3.25838  -9.84329  -27.89426 1.000 43.52072  ?  698 PHE A CB  1 
ATOM   670  C CG  . PHE A 1 121 ? -2.64022  -11.21031 -27.71579 1.000 43.61504  ?  698 PHE A CG  1 
ATOM   671  C CD1 . PHE A 1 121 ? -1.30456  -11.34121 -27.35789 1.000 43.13479  ?  698 PHE A CD1 1 
ATOM   672  C CD2 . PHE A 1 121 ? -3.40526  -12.36340 -27.88301 1.000 38.79522  ?  698 PHE A CD2 1 
ATOM   673  C CE1 . PHE A 1 121 ? -0.73925  -12.60074 -27.16914 1.000 41.05659  ?  698 PHE A CE1 1 
ATOM   674  C CE2 . PHE A 1 121 ? -2.84821  -13.62178 -27.69963 1.000 40.98219  ?  698 PHE A CE2 1 
ATOM   675  C CZ  . PHE A 1 121 ? -1.51214  -13.73944 -27.34738 1.000 38.17883  ?  698 PHE A CZ  1 
ATOM   676  N N   . LEU A 1 122 ? -4.99349  -10.05414 -30.49949 1.000 43.77808  ?  699 LEU A N   1 
ATOM   677  C CA  . LEU A 1 122 ? -5.68437  -10.82549 -31.52951 1.000 44.92575  ?  699 LEU A CA  1 
ATOM   678  C C   . LEU A 1 122 ? -5.13740  -10.51429 -32.91666 1.000 43.97751  ?  699 LEU A C   1 
ATOM   679  O O   . LEU A 1 122 ? -4.89095  -11.42233 -33.71749 1.000 45.38006  ?  699 LEU A O   1 
ATOM   680  C CB  . LEU A 1 122 ? -7.18732  -10.52647 -31.49497 1.000 44.62458  ?  699 LEU A CB  1 
ATOM   681  C CG  . LEU A 1 122 ? -7.95048  -10.70558 -30.19308 1.000 45.48316  ?  699 LEU A CG  1 
ATOM   682  C CD1 . LEU A 1 122 ? -9.40301  -10.27918 -30.40952 1.000 48.01420  ?  699 LEU A CD1 1 
ATOM   683  C CD2 . LEU A 1 122 ? -7.85619  -12.14497 -29.72543 1.000 34.46862  ?  699 LEU A CD2 1 
ATOM   684  N N   . GLU A 1 123 ? -5.00059  -9.22647  -33.23941 1.000 44.01671  ?  700 GLU A N   1 
ATOM   685  C CA  . GLU A 1 123 ? -4.41891  -8.85038  -34.51979 1.000 46.36213  ?  700 GLU A CA  1 
ATOM   686  C C   . GLU A 1 123 ? -2.97554  -9.32367  -34.62410 1.000 48.91492  ?  700 GLU A C   1 
ATOM   687  O O   . GLU A 1 123 ? -2.56886  -9.85183  -35.66307 1.000 53.03069  ?  700 GLU A O   1 
ATOM   688  C CB  . GLU A 1 123 ? -4.50014  -7.33305  -34.72042 1.000 52.55767  ?  700 GLU A CB  1 
ATOM   689  C CG  . GLU A 1 123 ? -5.85826  -6.84371  -35.25058 1.000 61.18081  ?  700 GLU A CG  1 
ATOM   690  C CD  . GLU A 1 123 ? -6.16092  -7.34452  -36.66517 1.000 69.83043  ?  700 GLU A CD  1 
ATOM   691  O OE1 . GLU A 1 123 ? -7.28734  -7.84180  -36.90211 1.000 72.64788  ?  700 GLU A OE1 1 
ATOM   692  O OE2 . GLU A 1 123 ? -5.27884  -7.22407  -37.54420 1.000 68.65405  ?  700 GLU A OE2 1 
ATOM   693  N N   . LYS A 1 124 ? -2.18249  -9.13447  -33.56177 1.000 45.23375  ?  701 LYS A N   1 
ATOM   694  C CA  . LYS A 1 124 ? -0.76462  -9.48930  -33.61626 1.000 46.86571  ?  701 LYS A CA  1 
ATOM   695  C C   . LYS A 1 124 ? -0.56590  -10.93289 -34.06460 1.000 44.89352  ?  701 LYS A C   1 
ATOM   696  O O   . LYS A 1 124 ? 0.29267   -11.21079 -34.90828 1.000 46.64111  ?  701 LYS A O   1 
ATOM   697  C CB  . LYS A 1 124 ? -0.10951  -9.26757  -32.24912 1.000 49.24537  ?  701 LYS A CB  1 
ATOM   698  C CG  . LYS A 1 124 ? 1.42213   -9.39346  -32.21315 1.000 48.82012  ?  701 LYS A CG  1 
ATOM   699  C CD  . LYS A 1 124 ? 1.89665   -9.57095  -30.76800 1.000 48.84091  ?  701 LYS A CD  1 
ATOM   700  C CE  . LYS A 1 124 ? 3.32305   -9.06607  -30.51809 1.000 51.93376  ?  701 LYS A CE  1 
ATOM   701  N NZ  . LYS A 1 124 ? 4.32099   -10.00361 -31.05749 1.000 54.23407  ?  701 LYS A NZ  1 
ATOM   702  N N   . TYR A 1 125 ? -1.35497  -11.86250 -33.52089 1.000 41.64503  ?  702 TYR A N   1 
ATOM   703  C CA  . TYR A 1 125 ? -1.21008  -13.28721 -33.81577 1.000 45.06154  ?  702 TYR A CA  1 
ATOM   704  C C   . TYR A 1 125 ? -2.25083  -13.81036 -34.80044 1.000 43.51325  ?  702 TYR A C   1 
ATOM   705  O O   . TYR A 1 125 ? -2.31857  -15.02187 -35.03003 1.000 40.09752  ?  702 TYR A O   1 
ATOM   706  C CB  . TYR A 1 125 ? -1.25582  -14.10065 -32.52182 1.000 38.89142  ?  702 TYR A CB  1 
ATOM   707  C CG  . TYR A 1 125 ? -0.04956  -13.79480 -31.64188 1.000 44.77158  ?  702 TYR A CG  1 
ATOM   708  C CD1 . TYR A 1 125 ? 1.16862   -14.44506 -31.82778 1.000 43.09403  ?  702 TYR A CD1 1 
ATOM   709  C CD2 . TYR A 1 125 ? -0.13000  -12.82504 -30.64456 1.000 43.49087  ?  702 TYR A CD2 1 
ATOM   710  C CE1 . TYR A 1 125 ? 2.29820   -14.12494 -31.03109 1.000 45.50299  ?  702 TYR A CE1 1 
ATOM   711  C CE2 . TYR A 1 125 ? 0.94907   -12.51535 -29.85058 1.000 44.38163  ?  702 TYR A CE2 1 
ATOM   712  C CZ  . TYR A 1 125 ? 2.16494   -13.15889 -30.04414 1.000 47.27242  ?  702 TYR A CZ  1 
ATOM   713  O OH  . TYR A 1 125 ? 3.21310   -12.80763 -29.23236 1.000 48.17861  ?  702 TYR A OH  1 
ATOM   714  N N   . LYS A 1 126 ? -3.06236  -12.93192 -35.38602 1.000 43.91469  ?  703 LYS A N   1 
ATOM   715  C CA  . LYS A 1 126 ? -4.06012  -13.35306 -36.36512 1.000 43.94111  ?  703 LYS A CA  1 
ATOM   716  C C   . LYS A 1 126 ? -5.01122  -14.38828 -35.77211 1.000 39.69294  ?  703 LYS A C   1 
ATOM   717  O O   . LYS A 1 126 ? -5.35010  -15.37628 -36.41557 1.000 41.11943  ?  703 LYS A O   1 
ATOM   718  C CB  . LYS A 1 126 ? -3.39425  -13.89933 -37.63262 1.000 47.77283  ?  703 LYS A CB  1 
ATOM   719  C CG  . LYS A 1 126 ? -2.17791  -13.11498 -38.07312 1.000 47.74099  ?  703 LYS A CG  1 
ATOM   720  C CD  . LYS A 1 126 ? -2.50239  -12.20243 -39.23313 1.000 57.99025  ?  703 LYS A CD  1 
ATOM   721  C CE  . LYS A 1 126 ? -3.11826  -10.89787 -38.74685 1.000 61.81907  ?  703 LYS A CE  1 
ATOM   722  N NZ  . LYS A 1 126 ? -3.59622  -10.02895 -39.87392 1.000 68.71317  ?  703 LYS A NZ  1 
ATOM   723  N N   . ILE A 1 127 ? -5.44637  -14.15869 -34.54057 1.000 40.82161  ?  704 ILE A N   1 
ATOM   724  C CA  . ILE A 1 127 ? -6.31748  -15.09863 -33.83904 1.000 39.27612  ?  704 ILE A CA  1 
ATOM   725  C C   . ILE A 1 127 ? -7.76453  -14.88136 -34.26188 1.000 39.81879  ?  704 ILE A C   1 
ATOM   726  O O   . ILE A 1 127 ? -8.26685  -13.75050 -34.25725 1.000 40.99838  ?  704 ILE A O   1 
ATOM   727  C CB  . ILE A 1 127 ? -6.16034  -14.94922 -32.31868 1.000 39.22223  ?  704 ILE A CB  1 
ATOM   728  C CG1 . ILE A 1 127 ? -4.75886  -15.41844 -31.90073 1.000 36.17315  ?  704 ILE A CG1 1 
ATOM   729  C CG2 . ILE A 1 127 ? -7.23977  -15.74480 -31.59668 1.000 35.78395  ?  704 ILE A CG2 1 
ATOM   730  C CD1 . ILE A 1 127 ? -4.24612  -14.72588 -30.65540 1.000 38.15928  ?  704 ILE A CD1 1 
ATOM   731  N N   . ASP A 1 128 ? -8.44213  -15.96713 -34.62564 1.000 37.13402  ?  705 ASP A N   1 
ATOM   732  C CA  . ASP A 1 128 ? -9.82459  -15.84310 -35.05359 1.000 35.48277  ?  705 ASP A CA  1 
ATOM   733  C C   . ASP A 1 128 ? -10.79292 -16.01437 -33.88735 1.000 39.20690  ?  705 ASP A C   1 
ATOM   734  O O   . ASP A 1 128 ? -11.81799 -15.32876 -33.84049 1.000 37.69863  ?  705 ASP A O   1 
ATOM   735  C CB  . ASP A 1 128 ? -10.12720 -16.85305 -36.15874 1.000 35.87470  ?  705 ASP A CB  1 
ATOM   736  C CG  . ASP A 1 128 ? -9.33457  -16.57581 -37.43347 1.000 38.69798  ?  705 ASP A CG  1 
ATOM   737  O OD1 . ASP A 1 128 ? -9.42552  -15.45291 -37.96598 1.000 44.54975  ?  705 ASP A OD1 1 
ATOM   738  O OD2 . ASP A 1 128 ? -8.61448  -17.47050 -37.90830 1.000 42.35936  ?  705 ASP A OD2 1 
ATOM   739  N N   . TYR A 1 129 ? -10.47794 -16.89843 -32.92813 1.000 35.35772  ?  706 TYR A N   1 
ATOM   740  C CA  . TYR A 1 129 ? -11.33948 -17.11683 -31.77538 1.000 38.75665  ?  706 TYR A CA  1 
ATOM   741  C C   . TYR A 1 129 ? -10.51113 -17.34194 -30.51664 1.000 37.63314  ?  706 TYR A C   1 
ATOM   742  O O   . TYR A 1 129 ? -9.46499  -17.99361 -30.56269 1.000 36.44945  ?  706 TYR A O   1 
ATOM   743  C CB  . TYR A 1 129 ? -12.27190 -18.32915 -31.99988 1.000 35.84701  ?  706 TYR A CB  1 
ATOM   744  C CG  . TYR A 1 129 ? -13.14048 -18.24619 -33.22754 1.000 36.83102  ?  706 TYR A CG  1 
ATOM   745  C CD1 . TYR A 1 129 ? -12.70416 -18.74471 -34.45131 1.000 37.17301  ?  706 TYR A CD1 1 
ATOM   746  C CD2 . TYR A 1 129 ? -14.41299 -17.68700 -33.16494 1.000 38.62450  ?  706 TYR A CD2 1 
ATOM   747  C CE1 . TYR A 1 129 ? -13.51498 -18.69178 -35.58324 1.000 36.21804  ?  706 TYR A CE1 1 
ATOM   748  C CE2 . TYR A 1 129 ? -15.22371 -17.61323 -34.29274 1.000 39.16676  ?  706 TYR A CE2 1 
ATOM   749  C CZ  . TYR A 1 129 ? -14.76427 -18.11148 -35.49623 1.000 35.99553  ?  706 TYR A CZ  1 
ATOM   750  O OH  . TYR A 1 129 ? -15.56075 -18.04815 -36.60545 1.000 38.18582  ?  706 TYR A OH  1 
ATOM   751  N N   . VAL A 1 130 ? -10.99113 -16.81395 -29.38813 1.000 39.38022  ?  707 VAL A N   1 
ATOM   752  C CA  . VAL A 1 130 ? -10.45204 -17.14954 -28.06988 1.000 37.27617  ?  707 VAL A CA  1 
ATOM   753  C C   . VAL A 1 130 ? -11.29434 -18.28107 -27.49790 1.000 42.30963  ?  707 VAL A C   1 
ATOM   754  O O   . VAL A 1 130 ? -12.52988 -18.22827 -27.55656 1.000 40.54939  ?  707 VAL A O   1 
ATOM   755  C CB  . VAL A 1 130 ? -10.45697 -15.93365 -27.12805 1.000 39.69099  ?  707 VAL A CB  1 
ATOM   756  C CG1 . VAL A 1 130 ? -10.11454 -16.36134 -25.71790 1.000 35.98387  ?  707 VAL A CG1 1 
ATOM   757  C CG2 . VAL A 1 130 ? -9.48996  -14.86467 -27.62205 1.000 39.23920  ?  707 VAL A CG2 1 
ATOM   758  N N   . ALA A 1 131 ? -10.63667 -19.32336 -26.97851 1.000 41.66787  ?  708 ALA A N   1 
ATOM   759  C CA  . ALA A 1 131 ? -11.31840 -20.50555 -26.44604 1.000 41.54215  ?  708 ALA A CA  1 
ATOM   760  C C   . ALA A 1 131 ? -10.97062 -20.64529 -24.97115 1.000 40.36012  ?  708 ALA A C   1 
ATOM   761  O O   . ALA A 1 131 ? -9.81738  -20.91856 -24.62782 1.000 44.21215  ?  708 ALA A O   1 
ATOM   762  C CB  . ALA A 1 131 ? -10.94165 -21.77888 -27.20971 1.000 36.94986  ?  708 ALA A CB  1 
ATOM   763  N N   . HIS A 1 132 ? -11.97739 -20.50183 -24.11336 1.000 43.96940  ?  709 HIS A N   1 
ATOM   764  C CA  . HIS A 1 132 ? -11.80659 -20.49167 -22.66635 1.000 50.86899  ?  709 HIS A CA  1 
ATOM   765  C C   . HIS A 1 132 ? -13.11780 -20.95312 -22.02654 1.000 51.38953  ?  709 HIS A C   1 
ATOM   766  O O   . HIS A 1 132 ? -14.17050 -20.95656 -22.66860 1.000 45.84715  ?  709 HIS A O   1 
ATOM   767  C CB  . HIS A 1 132 ? -11.40704 -19.09160 -22.18173 1.000 50.22801  ?  709 HIS A CB  1 
ATOM   768  C CG  . HIS A 1 132 ? -10.63843 -19.07836 -20.89798 1.000 54.44309  ?  709 HIS A CG  1 
ATOM   769  N ND1 . HIS A 1 132 ? -11.24197 -18.88572 -19.67406 1.000 57.97180  ?  709 HIS A ND1 1 
ATOM   770  C CD2 . HIS A 1 132 ? -9.31375  -19.20611 -20.64783 1.000 51.73635  ?  709 HIS A CD2 1 
ATOM   771  C CE1 . HIS A 1 132 ? -10.32651 -18.90852 -18.72343 1.000 57.18197  ?  709 HIS A CE1 1 
ATOM   772  N NE2 . HIS A 1 132 ? -9.14765  -19.10089 -19.28732 1.000 57.49110  ?  709 HIS A NE2 1 
ATOM   773  N N   . ASP A 1 133 ? -13.04288 -21.37095 -20.76524 1.000 50.09230  ?  710 ASP A N   1 
ATOM   774  C CA  . ASP A 1 133 ? -14.27356 -21.63426 -20.03547 1.000 59.18894  ?  710 ASP A CA  1 
ATOM   775  C C   . ASP A 1 133 ? -14.90929 -20.31405 -19.58337 1.000 62.65085  ?  710 ASP A C   1 
ATOM   776  O O   . ASP A 1 133 ? -14.25194 -19.27048 -19.52368 1.000 62.04245  ?  710 ASP A O   1 
ATOM   777  C CB  . ASP A 1 133 ? -14.01583 -22.55106 -18.83553 1.000 59.94306  ?  710 ASP A CB  1 
ATOM   778  C CG  . ASP A 1 133 ? -12.87348 -22.06923 -17.96002 1.000 67.06897  ?  710 ASP A CG  1 
ATOM   779  O OD1 . ASP A 1 133 ? -12.66388 -20.84056 -17.84837 1.000 64.99641  ?  710 ASP A OD1 1 
ATOM   780  O OD2 . ASP A 1 133 ? -12.19265 -22.92704 -17.35715 1.000 76.71417  ?  710 ASP A OD2 1 
ATOM   781  N N   . ASP A 1 134 ? -16.21264 -20.36272 -19.29581 1.000 63.42834  ?  711 ASP A N   1 
ATOM   782  C CA  . ASP A 1 134 ? -16.94841 -19.18998 -18.80907 1.000 67.50571  ?  711 ASP A CA  1 
ATOM   783  C C   . ASP A 1 134 ? -17.78290 -19.54171 -17.58564 1.000 68.89442  ?  711 ASP A C   1 
ATOM   784  O O   . ASP A 1 134 ? -17.49619 -19.08483 -16.48420 1.000 80.31182  ?  711 ASP A O   1 
ATOM   785  C CB  . ASP A 1 134 ? -17.85502 -18.61115 -19.90147 1.000 69.43476  ?  711 ASP A CB  1 
ATOM   786  N N   . ASP A 1 144 ? -18.60283 -9.69258  -17.83064 1.000 74.04651  ?  739 ASP A N   1 
ATOM   787  C CA  . ASP A 1 144 ? -17.47741 -10.58265 -17.60373 1.000 68.25539  ?  739 ASP A CA  1 
ATOM   788  C C   . ASP A 1 144 ? -16.33239 -10.18420 -18.52705 1.000 65.82125  ?  739 ASP A C   1 
ATOM   789  O O   . ASP A 1 144 ? -16.52482 -9.39382  -19.45115 1.000 64.30698  ?  739 ASP A O   1 
ATOM   790  C CB  . ASP A 1 144 ? -17.88968 -12.04843 -17.80851 1.000 70.02426  ?  739 ASP A CB  1 
ATOM   791  C CG  . ASP A 1 144 ? -18.15345 -12.40630 -19.26992 1.000 70.08631  ?  739 ASP A CG  1 
ATOM   792  O OD1 . ASP A 1 144 ? -19.11693 -11.87868 -19.87307 1.000 67.87360  ?  739 ASP A OD1 1 
ATOM   793  O OD2 . ASP A 1 144 ? -17.39882 -13.24636 -19.80809 1.000 69.33287  ?  739 ASP A OD2 1 
ATOM   794  N N   . ILE A 1 145 ? -15.13488 -10.71403 -18.26269 1.000 61.51485  ?  740 ILE A N   1 
ATOM   795  C CA  . ILE A 1 145 ? -13.95709 -10.29183 -19.01691 1.000 64.07149  ?  740 ILE A CA  1 
ATOM   796  C C   . ILE A 1 145 ? -14.02476 -10.71094 -20.48842 1.000 59.54788  ?  740 ILE A C   1 
ATOM   797  O O   . ILE A 1 145 ? -13.37165 -10.09369 -21.33622 1.000 58.58889  ?  740 ILE A O   1 
ATOM   798  C CB  . ILE A 1 145 ? -12.66981 -10.82515 -18.34988 1.000 58.46370  ?  740 ILE A CB  1 
ATOM   799  C CG1 . ILE A 1 145 ? -12.54692 -12.33834 -18.53826 1.000 61.95531  ?  740 ILE A CG1 1 
ATOM   800  C CG2 . ILE A 1 145 ? -12.67322 -10.48848 -16.87764 1.000 59.34253  ?  740 ILE A CG2 1 
ATOM   801  C CD1 . ILE A 1 145 ? -11.46126 -12.98689 -17.69765 1.000 68.51596  ?  740 ILE A CD1 1 
ATOM   802  N N   . TYR A 1 146 ? -14.81224 -11.72397 -20.83137 1.000 58.21970  ?  741 TYR A N   1 
ATOM   803  C CA  . TYR A 1 146 ? -14.90887 -12.16068 -22.21324 1.000 55.37334  ?  741 TYR A CA  1 
ATOM   804  C C   . TYR A 1 146 ? -16.12806 -11.58282 -22.94725 1.000 54.63600  ?  741 TYR A C   1 
ATOM   805  O O   . TYR A 1 146 ? -16.37954 -11.95286 -24.09788 1.000 48.12826  ?  741 TYR A O   1 
ATOM   806  C CB  . TYR A 1 146 ? -14.88442 -13.69109 -22.25727 1.000 58.31372  ?  741 TYR A CB  1 
ATOM   807  C CG  . TYR A 1 146 ? -13.65535 -14.24106 -21.55184 1.000 64.81715  ?  741 TYR A CG  1 
ATOM   808  C CD1 . TYR A 1 146 ? -12.38282 -13.88853 -21.97081 1.000 64.03798  ?  741 TYR A CD1 1 
ATOM   809  C CD2 . TYR A 1 146 ? -13.76745 -15.07043 -20.44298 1.000 64.77445  ?  741 TYR A CD2 1 
ATOM   810  C CE1 . TYR A 1 146 ? -11.25145 -14.35903 -21.32139 1.000 64.19330  ?  741 TYR A CE1 1 
ATOM   811  C CE2 . TYR A 1 146 ? -12.64007 -15.54647 -19.78501 1.000 65.31003  ?  741 TYR A CE2 1 
ATOM   812  C CZ  . TYR A 1 146 ? -11.38268 -15.18710 -20.23051 1.000 65.58087  ?  741 TYR A CZ  1 
ATOM   813  O OH  . TYR A 1 146 ? -10.25145 -15.65491 -19.58564 1.000 64.59237  ?  741 TYR A OH  1 
ATOM   814  N N   . ALA A 1 147 ? -16.85370 -10.64462 -22.33261 1.000 56.49195  ?  742 ALA A N   1 
ATOM   815  C CA  . ALA A 1 147 ? -17.96834 -9.99241  -23.01809 1.000 51.68892  ?  742 ALA A CA  1 
ATOM   816  C C   . ALA A 1 147 ? -17.53740 -9.38952  -24.35298 1.000 49.29409  ?  742 ALA A C   1 
ATOM   817  O O   . ALA A 1 147 ? -18.19190 -9.58943  -25.38365 1.000 45.16987  ?  742 ALA A O   1 
ATOM   818  C CB  . ALA A 1 147 ? -18.57773 -8.91045  -22.12307 1.000 53.65127  ?  742 ALA A CB  1 
ATOM   819  N N   . TRP A 1 148 ? -16.44172 -8.62978  -24.35694 1.000 50.62170  ?  743 TRP A N   1 
ATOM   820  C CA  . TRP A 1 148 ? -16.04159 -7.96836  -25.59735 1.000 49.51009  ?  743 TRP A CA  1 
ATOM   821  C C   . TRP A 1 148 ? -15.75833 -8.98061  -26.70046 1.000 47.64454  ?  743 TRP A C   1 
ATOM   822  O O   . TRP A 1 148 ? -16.05497 -8.72513  -27.87533 1.000 46.18850  ?  743 TRP A O   1 
ATOM   823  C CB  . TRP A 1 148 ? -14.83480 -7.05856  -25.36035 1.000 48.98811  ?  743 TRP A CB  1 
ATOM   824  C CG  . TRP A 1 148 ? -13.51238 -7.73858  -25.11839 1.000 49.85093  ?  743 TRP A CG  1 
ATOM   825  C CD1 . TRP A 1 148 ? -12.99833 -8.13417  -23.91647 1.000 52.08012  ?  743 TRP A CD1 1 
ATOM   826  C CD2 . TRP A 1 148 ? -12.51838 -8.05176  -26.10031 1.000 46.66679  ?  743 TRP A CD2 1 
ATOM   827  N NE1 . TRP A 1 148 ? -11.74405 -8.67921  -24.08913 1.000 52.51895  ?  743 TRP A NE1 1 
ATOM   828  C CE2 . TRP A 1 148 ? -11.42900 -8.64454  -25.42097 1.000 50.94719  ?  743 TRP A CE2 1 
ATOM   829  C CE3 . TRP A 1 148 ? -12.44464 -7.89254  -27.48639 1.000 47.83251  ?  743 TRP A CE3 1 
ATOM   830  C CZ2 . TRP A 1 148 ? -10.27957 -9.08200  -26.08449 1.000 50.67116  ?  743 TRP A CZ2 1 
ATOM   831  C CZ3 . TRP A 1 148 ? -11.30382 -8.32425  -28.14753 1.000 49.99287  ?  743 TRP A CZ3 1 
ATOM   832  C CH2 . TRP A 1 148 ? -10.23602 -8.91341  -27.44530 1.000 49.66875  ?  743 TRP A CH2 1 
ATOM   833  N N   . LEU A 1 149 ? -15.20708 -10.14647 -26.34555 1.000 46.79483  ?  744 LEU A N   1 
ATOM   834  C CA  . LEU A 1 149 ? -15.00240 -11.19311 -27.34514 1.000 45.46075  ?  744 LEU A CA  1 
ATOM   835  C C   . LEU A 1 149 ? -16.33628 -11.75148 -27.83569 1.000 44.12350  ?  744 LEU A C   1 
ATOM   836  O O   . LEU A 1 149 ? -16.56073 -11.88578 -29.04809 1.000 44.98929  ?  744 LEU A O   1 
ATOM   837  C CB  . LEU A 1 149 ? -14.11412 -12.30280 -26.77203 1.000 44.76278  ?  744 LEU A CB  1 
ATOM   838  C CG  . LEU A 1 149 ? -12.63373 -11.92895 -26.62675 1.000 47.22884  ?  744 LEU A CG  1 
ATOM   839  C CD1 . LEU A 1 149 ? -11.96777 -12.81789 -25.59673 1.000 49.11834  ?  744 LEU A CD1 1 
ATOM   840  C CD2 . LEU A 1 149 ? -11.88892 -11.97736 -27.95820 1.000 40.99294  ?  744 LEU A CD2 1 
ATOM   841  N N   . LYS A 1 150 ? -17.24589 -12.07452 -26.91248 1.000 43.16346  ?  745 LYS A N   1 
ATOM   842  C CA  . LYS A 1 150 ? -18.55510 -12.57642 -27.33576 1.000 41.45352  ?  745 LYS A CA  1 
ATOM   843  C C   . LYS A 1 150 ? -19.27615 -11.55008 -28.20196 1.000 42.39081  ?  745 LYS A C   1 
ATOM   844  O O   . LYS A 1 150 ? -19.89136 -11.89719 -29.21947 1.000 43.52425  ?  745 LYS A O   1 
ATOM   845  C CB  . LYS A 1 150 ? -19.40189 -12.93538 -26.10881 1.000 44.27015  ?  745 LYS A CB  1 
ATOM   846  C CG  . LYS A 1 150 ? -18.86333 -14.11889 -25.29489 1.000 43.83000  ?  745 LYS A CG  1 
ATOM   847  C CD  . LYS A 1 150 ? -19.05193 -13.91753 -23.78304 1.000 51.52778  ?  745 LYS A CD  1 
ATOM   848  C CE  . LYS A 1 150 ? -19.76575 -15.07117 -23.12348 1.000 47.78359  ?  745 LYS A CE  1 
ATOM   849  N NZ  . LYS A 1 150 ? -19.95442 -14.82817 -21.65543 1.000 59.38210  ?  745 LYS A NZ  1 
ATOM   850  N N   . ARG A 1 151 ? -19.21516 -10.27665 -27.80978 1.000 41.36422  ?  746 ARG A N   1 
ATOM   851  C CA  . ARG A 1 151 ? -19.77769 -9.21803  -28.63679 1.000 42.01346  ?  746 ARG A CA  1 
ATOM   852  C C   . ARG A 1 151 ? -19.22867 -9.27368  -30.06155 1.000 42.89488  ?  746 ARG A C   1 
ATOM   853  O O   . ARG A 1 151 ? -19.96829 -9.07143  -31.02872 1.000 42.96065  ?  746 ARG A O   1 
ATOM   854  C CB  . ARG A 1 151 ? -19.49922 -7.85259  -27.99022 1.000 46.10117  ?  746 ARG A CB  1 
ATOM   855  C CG  . ARG A 1 151 ? -20.59867 -6.82962  -28.17537 1.000 50.61115  ?  746 ARG A CG  1 
ATOM   856  C CD  . ARG A 1 151 ? -20.72424 -5.83621  -26.99952 1.000 54.33306  ?  746 ARG A CD  1 
ATOM   857  N NE  . ARG A 1 151 ? -19.49766 -5.67239  -26.21911 1.000 59.86933  ?  746 ARG A NE  1 
ATOM   858  C CZ  . ARG A 1 151 ? -19.44539 -5.63491  -24.88951 1.000 60.70024  ?  746 ARG A CZ  1 
ATOM   859  N NH1 . ARG A 1 151 ? -20.53902 -5.74586  -24.14578 1.000 64.08626  ?  746 ARG A NH1 1 
ATOM   860  N NH2 . ARG A 1 151 ? -18.26897 -5.48363  -24.29087 1.000 54.91653  ?  746 ARG A NH2 1 
ATOM   861  N N   . ALA A 1 152 ? -17.93903 -9.57576  -30.21902 1.000 42.57297  ?  747 ALA A N   1 
ATOM   862  C CA  . ALA A 1 152 ? -17.31608 -9.49364  -31.53622 1.000 40.46462  ?  747 ALA A CA  1 
ATOM   863  C C   . ALA A 1 152 ? -17.53114 -10.73819 -32.38373 1.000 42.04506  ?  747 ALA A C   1 
ATOM   864  O O   . ALA A 1 152 ? -17.20122 -10.72190 -33.57917 1.000 44.51305  ?  747 ALA A O   1 
ATOM   865  C CB  . ALA A 1 152 ? -15.81216 -9.22862  -31.39114 1.000 38.65039  ?  747 ALA A CB  1 
ATOM   866  N N   . GLY A 1 153 ? -18.09369 -11.80157 -31.81600 1.000 43.53763  ?  748 GLY A N   1 
ATOM   867  C CA  . GLY A 1 153 ? -18.20250 -13.07211 -32.50214 1.000 36.88603  ?  748 GLY A CA  1 
ATOM   868  C C   . GLY A 1 153 ? -17.01340 -13.98813 -32.32675 1.000 37.86064  ?  748 GLY A C   1 
ATOM   869  O O   . GLY A 1 153 ? -16.92798 -15.00006 -33.03291 1.000 44.36693  ?  748 GLY A O   1 
ATOM   870  N N   . LYS A 1 154 ? -16.12362 -13.69941 -31.37422 1.000 38.32656  ?  749 LYS A N   1 
ATOM   871  C CA  . LYS A 1 154 ? -14.82065 -14.35052 -31.30508 1.000 40.98346  ?  749 LYS A CA  1 
ATOM   872  C C   . LYS A 1 154 ? -14.59721 -15.14255 -30.02136 1.000 43.28252  ?  749 LYS A C   1 
ATOM   873  O O   . LYS A 1 154 ? -13.44595 -15.48400 -29.71552 1.000 42.86773  ?  749 LYS A O   1 
ATOM   874  C CB  . LYS A 1 154 ? -13.69953 -13.31581 -31.45199 1.000 37.77035  ?  749 LYS A CB  1 
ATOM   875  C CG  . LYS A 1 154 ? -13.73960 -12.53442 -32.74012 1.000 42.05213  ?  749 LYS A CG  1 
ATOM   876  C CD  . LYS A 1 154 ? -12.67398 -11.44210 -32.72784 1.000 46.95953  ?  749 LYS A CD  1 
ATOM   877  C CE  . LYS A 1 154 ? -12.58165 -10.75261 -34.08001 1.000 45.79520  ?  749 LYS A CE  1 
ATOM   878  N NZ  . LYS A 1 154 ? -12.43371 -11.76389 -35.16006 1.000 42.13117  ?  749 LYS A NZ  1 
ATOM   879  N N   . PHE A 1 155 ? -15.64034 -15.45185 -29.25797 1.000 42.39041  ?  750 PHE A N   1 
ATOM   880  C CA  . PHE A 1 155 ? -15.47484 -16.27187 -28.06604 1.000 39.22812  ?  750 PHE A CA  1 
ATOM   881  C C   . PHE A 1 155 ? -16.02981 -17.66660 -28.30645 1.000 41.63679  ?  750 PHE A C   1 
ATOM   882  O O   . PHE A 1 155 ? -17.16882 -17.81555 -28.75474 1.000 37.37570  ?  750 PHE A O   1 
ATOM   883  C CB  . PHE A 1 155 ? -16.15692 -15.64728 -26.85448 1.000 39.05894  ?  750 PHE A CB  1 
ATOM   884  C CG  . PHE A 1 155 ? -15.93952 -16.42353 -25.61087 1.000 43.31320  ?  750 PHE A CG  1 
ATOM   885  C CD1 . PHE A 1 155 ? -14.68995 -16.42968 -25.00206 1.000 46.76997  ?  750 PHE A CD1 1 
ATOM   886  C CD2 . PHE A 1 155 ? -16.95614 -17.17756 -25.06081 1.000 44.67399  ?  750 PHE A CD2 1 
ATOM   887  C CE1 . PHE A 1 155 ? -14.46432 -17.16457 -23.85206 1.000 49.08957  ?  750 PHE A CE1 1 
ATOM   888  C CE2 . PHE A 1 155 ? -16.74181 -17.90668 -23.90510 1.000 49.25335  ?  750 PHE A CE2 1 
ATOM   889  C CZ  . PHE A 1 155 ? -15.48899 -17.90612 -23.30176 1.000 46.89819  ?  750 PHE A CZ  1 
ATOM   890  N N   . LYS A 1 156 ? -15.23609 -18.68536 -27.99023 1.000 37.37690  ?  751 LYS A N   1 
ATOM   891  C CA  . LYS A 1 156 ? -15.65428 -20.07291 -28.13272 1.000 38.82176  ?  751 LYS A CA  1 
ATOM   892  C C   . LYS A 1 156 ? -15.57038 -20.73885 -26.76593 1.000 48.05422  ?  751 LYS A C   1 
ATOM   893  O O   . LYS A 1 156 ? -14.46972 -21.02851 -26.27599 1.000 42.20087  ?  751 LYS A O   1 
ATOM   894  C CB  . LYS A 1 156 ? -14.79149 -20.78356 -29.17064 1.000 35.60709  ?  751 LYS A CB  1 
ATOM   895  C CG  . LYS A 1 156 ? -15.14828 -20.34705 -30.58035 1.000 35.70011  ?  751 LYS A CG  1 
ATOM   896  C CD  . LYS A 1 156 ? -16.68901 -20.57934 -30.85345 1.000 38.12722  ?  751 LYS A CD  1 
ATOM   897  C CE  . LYS A 1 156 ? -16.91709 -21.25432 -32.18816 1.000 37.63279  ?  751 LYS A CE  1 
ATOM   898  N NZ  . LYS A 1 156 ? -18.33710 -21.43710 -32.57079 1.000 39.53351  ?  751 LYS A NZ  1 
ATOM   899  N N   . ALA A 1 157 ? -16.72564 -20.97206 -26.13679 1.000 41.31510  ?  752 ALA A N   1 
ATOM   900  C CA  . ALA A 1 157 ? -16.70618 -21.55639 -24.80552 1.000 45.57414  ?  752 ALA A CA  1 
ATOM   901  C C   . ALA A 1 157 ? -16.20125 -22.99059 -24.87092 1.000 45.56332  ?  752 ALA A C   1 
ATOM   902  O O   . ALA A 1 157 ? -16.60832 -23.76570 -25.74179 1.000 47.89976  ?  752 ALA A O   1 
ATOM   903  C CB  . ALA A 1 157 ? -18.10154 -21.51889 -24.16937 1.000 46.27235  ?  752 ALA A CB  1 
ATOM   904  N N   . THR A 1 158 ? -15.31319 -23.34234 -23.94866 1.000 45.44985  ?  753 THR A N   1 
ATOM   905  C CA  . THR A 1 158 ? -14.90097 -24.72028 -23.73730 1.000 47.10788  ?  753 THR A CA  1 
ATOM   906  C C   . THR A 1 158 ? -15.18467 -25.10369 -22.29288 1.000 49.64443  ?  753 THR A C   1 
ATOM   907  O O   . THR A 1 158 ? -15.26503 -24.24581 -21.41033 1.000 49.18708  ?  753 THR A O   1 
ATOM   908  C CB  . THR A 1 158 ? -13.42203 -24.92588 -24.05197 1.000 47.67251  ?  753 THR A CB  1 
ATOM   909  O OG1 . THR A 1 158 ? -12.65482 -24.19369 -23.10364 1.000 44.18239  ?  753 THR A OG1 1 
ATOM   910  C CG2 . THR A 1 158 ? -13.10244 -24.43196 -25.46752 1.000 44.97108  ?  753 THR A CG2 1 
ATOM   911  N N   . GLN A 1 159 ? -15.33206 -26.40836 -22.06713 1.000 49.39120  ?  754 GLN A N   1 
ATOM   912  C CA  . GLN A 1 159 ? -15.85509 -26.94729 -20.81947 1.000 58.97629  ?  754 GLN A CA  1 
ATOM   913  C C   . GLN A 1 159 ? -14.74832 -27.56525 -19.97119 1.000 61.93127  ?  754 GLN A C   1 
ATOM   914  O O   . GLN A 1 159 ? -13.78707 -28.13379 -20.49074 1.000 56.64124  ?  754 GLN A O   1 
ATOM   915  C CB  . GLN A 1 159 ? -16.94301 -27.99792 -21.08444 1.000 54.20129  ?  754 GLN A CB  1 
ATOM   916  C CG  . GLN A 1 159 ? -17.67938 -27.84832 -22.44047 1.000 56.50637  ?  754 GLN A CG  1 
ATOM   917  C CD  . GLN A 1 159 ? -18.16611 -26.43172 -22.68738 1.000 53.69767  ?  754 GLN A CD  1 
ATOM   918  O OE1 . GLN A 1 159 ? -18.27511 -25.98834 -23.82173 1.000 56.78708  ?  754 GLN A OE1 1 
ATOM   919  N NE2 . GLN A 1 159 ? -18.44414 -25.71012 -21.61423 1.000 62.58764  ?  754 GLN A NE2 1 
ATOM   920  N N   . ARG A 1 160 ? -14.92027 -27.47252 -18.65422 1.000 72.67960  ?  755 ARG A N   1 
ATOM   921  C CA  . ARG A 1 160 ? -13.98934 -28.02123 -17.67819 1.000 73.69525  ?  755 ARG A CA  1 
ATOM   922  C C   . ARG A 1 160 ? -14.43949 -29.40647 -17.21650 1.000 77.93643  ?  755 ARG A C   1 
ATOM   923  O O   . ARG A 1 160 ? -15.62547 -29.74571 -17.27044 1.000 81.09359  ?  755 ARG A O   1 
ATOM   924  C CB  . ARG A 1 160 ? -13.88428 -27.07211 -16.48414 1.000 80.54987  ?  755 ARG A CB  1 
ATOM   925  C CG  . ARG A 1 160 ? -13.22574 -27.65608 -15.25037 1.000 89.43681  ?  755 ARG A CG  1 
ATOM   926  C CD  . ARG A 1 160 ? -13.05251 -26.58890 -14.18383 1.000 93.23962  ?  755 ARG A CD  1 
ATOM   927  N NE  . ARG A 1 160 ? -12.95691 -25.25545 -14.76697 1.000 93.90938  ?  755 ARG A NE  1 
ATOM   928  C CZ  . ARG A 1 160 ? -11.85851 -24.51109 -14.76044 1.000 95.58992  ?  755 ARG A CZ  1 
ATOM   929  N NH1 . ARG A 1 160 ? -10.74342 -24.92638 -14.17832 1.000 95.58757  ?  755 ARG A NH1 1 
ATOM   930  N NH2 . ARG A 1 160 ? -11.88026 -23.31740 -15.34757 1.000 92.13605  ?  755 ARG A NH2 1 
ATOM   931  N N   . THR A 1 161 ? -13.47969 -30.21457 -16.76662 1.000 78.22998  ?  756 THR A N   1 
ATOM   932  C CA  . THR A 1 161 ? -13.76859 -31.50146 -16.13942 1.000 79.32061  ?  756 THR A CA  1 
ATOM   933  C C   . THR A 1 161 ? -13.26460 -31.47653 -14.70282 1.000 84.80201  ?  756 THR A C   1 
ATOM   934  O O   . THR A 1 161 ? -12.10297 -31.13972 -14.45929 1.000 81.52462  ?  756 THR A O   1 
ATOM   935  C CB  . THR A 1 161 ? -13.11021 -32.66281 -16.88911 1.000 71.01602  ?  756 THR A CB  1 
ATOM   936  O OG1 . THR A 1 161 ? -13.45127 -32.59886 -18.27935 1.000 64.33478  ?  756 THR A OG1 1 
ATOM   937  C CG2 . THR A 1 161 ? -13.59465 -34.00440 -16.32073 1.000 73.98194  ?  756 THR A CG2 1 
ATOM   938  N N   . GLU A 1 162 ? -14.12795 -31.84021 -13.75901 1.000 88.64661  ?  757 GLU A N   1 
ATOM   939  C CA  . GLU A 1 162 ? -13.77948 -31.80409 -12.34728 1.000 91.13066  ?  757 GLU A CA  1 
ATOM   940  C C   . GLU A 1 162 ? -13.27783 -33.16907 -11.87458 1.000 90.02137  ?  757 GLU A C   1 
ATOM   941  O O   . GLU A 1 162 ? -13.29178 -34.15770 -12.61169 1.000 89.68778  ?  757 GLU A O   1 
ATOM   942  C CB  . GLU A 1 162 ? -14.98217 -31.35623 -11.51459 1.000 96.11699  ?  757 GLU A CB  1 
ATOM   943  C CG  . GLU A 1 162 ? -14.90686 -29.90834 -11.06075 1.000 98.73119  ?  757 GLU A CG  1 
ATOM   944  C CD  . GLU A 1 162 ? -15.17649 -28.93685 -12.19050 1.000 100.65992 ?  757 GLU A CD  1 
ATOM   945  O OE1 . GLU A 1 162 ? -15.91281 -29.31711 -13.12461 1.000 98.16897  ?  757 GLU A OE1 1 
ATOM   946  O OE2 . GLU A 1 162 ? -14.65644 -27.80007 -12.14678 1.000 101.46256 ?  757 GLU A OE2 1 
ATOM   947  N N   . GLY A 1 163 ? -12.80934 -33.20431 -10.62272 1.000 86.10137  ?  758 GLY A N   1 
ATOM   948  C CA  . GLY A 1 163 ? -12.43188 -34.43481 -9.95140  1.000 84.70226  ?  758 GLY A CA  1 
ATOM   949  C C   . GLY A 1 163 ? -11.21874 -35.14594 -10.50985 1.000 81.22200  ?  758 GLY A C   1 
ATOM   950  O O   . GLY A 1 163 ? -10.70432 -36.06535 -9.85532  1.000 84.53793  ?  758 GLY A O   1 
ATOM   951  N N   . VAL A 1 164 ? -10.72292 -34.74863 -11.67686 1.000 81.33006  ?  759 VAL A N   1 
ATOM   952  C CA  . VAL A 1 164 ? -9.60674  -35.44093 -12.30068 1.000 80.18189  ?  759 VAL A CA  1 
ATOM   953  C C   . VAL A 1 164 ? -8.30210  -34.80283 -11.84978 1.000 78.87554  ?  759 VAL A C   1 
ATOM   954  O O   . VAL A 1 164 ? -7.22777  -35.16133 -12.33882 1.000 74.25703  ?  759 VAL A O   1 
ATOM   955  C CB  . VAL A 1 164 ? -9.73191  -35.40819 -13.83664 1.000 73.71780  ?  759 VAL A CB  1 
ATOM   956  C CG1 . VAL A 1 164 ? -11.12978 -35.83876 -14.26717 1.000 77.28896  ?  759 VAL A CG1 1 
ATOM   957  C CG2 . VAL A 1 164 ? -9.40302  -34.01094 -14.36906 1.000 66.91776  ?  759 VAL A CG2 1 
ATOM   958  N N   . SER A 1 165 ? -8.38217  -33.85701 -10.91915 1.000 86.91294  ?  760 SER A N   1 
ATOM   959  C CA  . SER A 1 165 ? -7.23591  -33.00508 -10.63258 1.000 86.16551  ?  760 SER A CA  1 
ATOM   960  C C   . SER A 1 165 ? -6.15404  -33.77227 -9.88235  1.000 86.45986  ?  760 SER A C   1 
ATOM   961  O O   . SER A 1 165 ? -6.43746  -34.62160 -9.03229  1.000 88.07178  ?  760 SER A O   1 
ATOM   962  C CB  . SER A 1 165 ? -7.66609  -31.77579 -9.82586  1.000 86.51876  ?  760 SER A CB  1 
ATOM   963  O OG  . SER A 1 165 ? -6.58150  -30.88849 -9.59880  1.000 86.01485  ?  760 SER A OG  1 
ATOM   964  N N   . THR A 1 166 ? -4.89961  -33.47618 -10.22793 1.000 82.07953  ?  761 THR A N   1 
ATOM   965  C CA  . THR A 1 166 ? -3.76992  -34.01579 -9.48067  1.000 79.78608  ?  761 THR A CA  1 
ATOM   966  C C   . THR A 1 166 ? -3.97131  -33.83712 -7.98193  1.000 74.85511  ?  761 THR A C   1 
ATOM   967  O O   . THR A 1 166 ? -3.68760  -34.74598 -7.19530  1.000 74.31880  ?  761 THR A O   1 
ATOM   968  C CB  . THR A 1 166 ? -2.47586  -33.34693 -9.95492  1.000 79.30928  ?  761 THR A CB  1 
ATOM   969  O OG1 . THR A 1 166 ? -2.48214  -33.25645 -11.39023 1.000 70.66238  ?  761 THR A OG1 1 
ATOM   970  C CG2 . THR A 1 166 ? -1.25921  -34.14310 -9.50304  1.000 76.47838  ?  761 THR A CG2 1 
ATOM   971  N N   . THR A 1 167 ? -4.48558  -32.67938 -7.57100  1.000 77.12376  ?  762 THR A N   1 
ATOM   972  C CA  . THR A 1 167 ? -4.86999  -32.49149 -6.17722  1.000 74.81074  ?  762 THR A CA  1 
ATOM   973  C C   . THR A 1 167 ? -5.73353  -33.64348 -5.67552  1.000 76.21852  ?  762 THR A C   1 
ATOM   974  O O   . THR A 1 167 ? -5.50967  -34.17693 -4.58367  1.000 75.53604  ?  762 THR A O   1 
ATOM   975  C CB  . THR A 1 167 ? -5.61976  -31.17284 -6.02164  1.000 77.05979  ?  762 THR A CB  1 
ATOM   976  O OG1 . THR A 1 167 ? -4.84429  -30.10264 -6.57191  1.000 79.77146  ?  762 THR A OG1 1 
ATOM   977  C CG2 . THR A 1 167 ? -5.90195  -30.91078 -4.55676  1.000 84.29978  ?  762 THR A CG2 1 
ATOM   978  N N   . ASP A 1 168 ? -6.73833  -34.03635 -6.46216  1.000 76.36079  ?  763 ASP A N   1 
ATOM   979  C CA  . ASP A 1 168 ? -7.70643  -35.02116 -5.99703  1.000 73.05084  ?  763 ASP A CA  1 
ATOM   980  C C   . ASP A 1 168 ? -7.17436  -36.44263 -6.03807  1.000 73.28098  ?  763 ASP A C   1 
ATOM   981  O O   . ASP A 1 168 ? -7.69856  -37.30566 -5.33095  1.000 71.99568  ?  763 ASP A O   1 
ATOM   982  C CB  . ASP A 1 168 ? -8.99289  -34.93020 -6.81859  1.000 78.03436  ?  763 ASP A CB  1 
ATOM   983  C CG  . ASP A 1 168 ? -9.30799  -33.50267 -7.24722  1.000 80.24913  ?  763 ASP A CG  1 
ATOM   984  O OD1 . ASP A 1 168 ? -9.42624  -32.61967 -6.36409  1.000 78.28014  ?  763 ASP A OD1 1 
ATOM   985  O OD2 . ASP A 1 168 ? -9.48297  -33.27269 -8.46335  1.000 80.03753  ?  763 ASP A OD2 1 
ATOM   986  N N   . LEU A 1 169 ? -6.15365  -36.71116 -6.84733  1.000 74.74497  ?  764 LEU A N   1 
ATOM   987  C CA  . LEU A 1 169 ? -5.57120  -38.04003 -6.85802  1.000 69.12552  ?  764 LEU A CA  1 
ATOM   988  C C   . LEU A 1 169 ? -4.70457  -38.30062 -5.63368  1.000 71.74204  ?  764 LEU A C   1 
ATOM   989  O O   . LEU A 1 169 ? -4.52442  -39.46089 -5.25818  1.000 75.80369  ?  764 LEU A O   1 
ATOM   990  C CB  . LEU A 1 169 ? -4.77861  -38.24740 -8.15154  1.000 73.93087  ?  764 LEU A CB  1 
ATOM   991  C CG  . LEU A 1 169 ? -5.53853  -37.94816 -9.45280  1.000 71.51847  ?  764 LEU A CG  1 
ATOM   992  C CD1 . LEU A 1 169 ? -4.78601  -38.46687 -10.67166 1.000 68.72033  ?  764 LEU A CD1 1 
ATOM   993  C CD2 . LEU A 1 169 ? -6.95509  -38.51287 -9.42965  1.000 69.94648  ?  764 LEU A CD2 1 
ATOM   994  N N   . ILE A 1 170 ? -4.18449  -37.25870 -4.98474  1.000 72.12012  ?  765 ILE A N   1 
ATOM   995  C CA  . ILE A 1 170 ? -3.54276  -37.45935 -3.68949  1.000 74.65975  ?  765 ILE A CA  1 
ATOM   996  C C   . ILE A 1 170 ? -4.58337  -37.80054 -2.63193  1.000 79.43306  ?  765 ILE A C   1 
ATOM   997  O O   . ILE A 1 170 ? -4.38296  -38.70201 -1.80678  1.000 80.94087  ?  765 ILE A O   1 
ATOM   998  C CB  . ILE A 1 170 ? -2.73244  -36.21507 -3.29177  1.000 70.50823  ?  765 ILE A CB  1 
ATOM   999  C CG1 . ILE A 1 170 ? -1.98925  -35.67474 -4.50655  1.000 72.17362  ?  765 ILE A CG1 1 
ATOM   1000 C CG2 . ILE A 1 170 ? -1.80260  -36.51608 -2.11906  1.000 65.06627  ?  765 ILE A CG2 1 
ATOM   1001 C CD1 . ILE A 1 170 ? -1.24102  -36.74393 -5.27410  1.000 70.67300  ?  765 ILE A CD1 1 
ATOM   1002 N N   . VAL A 1 171 ? -5.70819  -37.08012 -2.63443  1.000 74.09103  ?  766 VAL A N   1 
ATOM   1003 C CA  . VAL A 1 171 ? -6.79983  -37.40342 -1.71702  1.000 79.20716  ?  766 VAL A CA  1 
ATOM   1004 C C   . VAL A 1 171 ? -7.18540  -38.86214 -1.86444  1.000 82.81764  ?  766 VAL A C   1 
ATOM   1005 O O   . VAL A 1 171 ? -7.50406  -39.54398 -0.88444  1.000 84.96485  ?  766 VAL A O   1 
ATOM   1006 C CB  . VAL A 1 171 ? -8.00704  -36.48270 -1.96788  1.000 74.29873  ?  766 VAL A CB  1 
ATOM   1007 C CG1 . VAL A 1 171 ? -8.88108  -36.43642 -0.73813  1.000 80.28455  ?  766 VAL A CG1 1 
ATOM   1008 C CG2 . VAL A 1 171 ? -7.53938  -35.08891 -2.35368  1.000 76.48526  ?  766 VAL A CG2 1 
ATOM   1009 N N   . ARG A 1 172 ? -7.16983  -39.36015 -3.10073  1.000 81.20974  ?  767 ARG A N   1 
ATOM   1010 C CA  . ARG A 1 172 ? -7.41876  -40.77480 -3.33084  1.000 83.15501  ?  767 ARG A CA  1 
ATOM   1011 C C   . ARG A 1 172 ? -6.38333  -41.63180 -2.60538  1.000 87.65533  ?  767 ARG A C   1 
ATOM   1012 O O   . ARG A 1 172 ? -6.73727  -42.52909 -1.83380  1.000 96.05750  ?  767 ARG A O   1 
ATOM   1013 C CB  . ARG A 1 172 ? -7.43522  -41.04095 -4.83684  1.000 76.19331  ?  767 ARG A CB  1 
ATOM   1014 C CG  . ARG A 1 172 ? -7.27378  -42.48079 -5.24016  1.000 72.32170  ?  767 ARG A CG  1 
ATOM   1015 C CD  . ARG A 1 172 ? -7.17465  -42.60423 -6.75496  1.000 66.89241  ?  767 ARG A CD  1 
ATOM   1016 N NE  . ARG A 1 172 ? -8.29660  -41.98766 -7.45663  1.000 61.40206  ?  767 ARG A NE  1 
ATOM   1017 C CZ  . ARG A 1 172 ? -8.58154  -42.20290 -8.73493  1.000 59.38569  ?  767 ARG A CZ  1 
ATOM   1018 N NH1 . ARG A 1 172 ? -7.85845  -43.02709 -9.47601  1.000 59.27205  ?  767 ARG A NH1 1 
ATOM   1019 N NH2 . ARG A 1 172 ? -9.61506  -41.57400 -9.28555  1.000 58.26345  ?  767 ARG A NH2 1 
ATOM   1020 N N   . ILE A 1 173 ? -5.09502  -41.34108 -2.81082  1.000 93.58291  ?  768 ILE A N   1 
ATOM   1021 C CA  . ILE A 1 173 ? -4.02104  -42.04691 -2.10828  1.000 97.03940  ?  768 ILE A CA  1 
ATOM   1022 C C   . ILE A 1 173 ? -4.20441  -41.99201 -0.60000  1.000 103.78533 ?  768 ILE A C   1 
ATOM   1023 O O   . ILE A 1 173 ? -3.70058  -42.85874 0.12948   1.000 106.39482 ?  768 ILE A O   1 
ATOM   1024 C CB  . ILE A 1 173 ? -2.64910  -41.45264 -2.49122  1.000 99.85365  ?  768 ILE A CB  1 
ATOM   1025 C CG1 . ILE A 1 173 ? -2.41805  -41.52296 -4.00007  1.000 99.45805  ?  768 ILE A CG1 1 
ATOM   1026 C CG2 . ILE A 1 173 ? -1.52833  -42.14423 -1.72577  1.000 101.24160 ?  768 ILE A CG2 1 
ATOM   1027 C CD1 . ILE A 1 173 ? -1.08498  -40.92555 -4.43109  1.000 95.94826  ?  768 ILE A CD1 1 
ATOM   1028 N N   . LEU A 1 174 ? -4.89129  -40.96413 -0.10188  1.000 95.81785  ?  769 LEU A N   1 
ATOM   1029 C CA  . LEU A 1 174 ? -4.89279  -40.66940 1.32378   1.000 96.42617  ?  769 LEU A CA  1 
ATOM   1030 C C   . LEU A 1 174 ? -6.16903  -41.09816 2.03431   1.000 100.53766 ?  769 LEU A C   1 
ATOM   1031 O O   . LEU A 1 174 ? -6.09750  -41.56151 3.17798   1.000 104.06113 ?  769 LEU A O   1 
ATOM   1032 C CB  . LEU A 1 174 ? -4.65221  -39.17439 1.54924   1.000 87.55007  ?  769 LEU A CB  1 
ATOM   1033 C CG  . LEU A 1 174 ? -3.19862  -38.72128 1.37706   1.000 85.31582  ?  769 LEU A CG  1 
ATOM   1034 C CD1 . LEU A 1 174 ? -3.01095  -37.31624 1.92719   1.000 77.37366  ?  769 LEU A CD1 1 
ATOM   1035 C CD2 . LEU A 1 174 ? -2.25321  -39.70536 2.04621   1.000 86.41409  ?  769 LEU A CD2 1 
ATOM   1036 N N   . LYS A 1 175 ? -7.33282  -40.98330 1.39136   1.000 98.88123  ?  770 LYS A N   1 
ATOM   1037 C CA  . LYS A 1 175 ? -8.55955  -41.53080 1.95649   1.000 106.72405 ?  770 LYS A CA  1 
ATOM   1038 C C   . LYS A 1 175 ? -8.44841  -43.04604 2.08105   1.000 114.21111 ?  770 LYS A C   1 
ATOM   1039 O O   . LYS A 1 175 ? -9.42036  -43.72569 2.43401   1.000 114.06481 ?  770 LYS A O   1 
ATOM   1040 C CB  . LYS A 1 175 ? -9.76411  -41.13504 1.09573   1.000 105.29353 ?  770 LYS A CB  1 
ATOM   1041 N N   . ASN A 1 176 ? -7.25928  -43.57825 1.76324   1.000 122.06545 ?  771 ASN A N   1 
ATOM   1042 C CA  . ASN A 1 176 ? -6.91269  -44.97796 1.95645   1.000 125.13445 ?  771 ASN A CA  1 
ATOM   1043 C C   . ASN A 1 176 ? -5.92893  -45.20862 3.10580   1.000 124.50567 ?  771 ASN A C   1 
ATOM   1044 O O   . ASN A 1 176 ? -5.67692  -46.36595 3.46290   1.000 126.04241 ?  771 ASN A O   1 
ATOM   1045 C CB  . ASN A 1 176 ? -6.34148  -45.54152 0.64117   1.000 125.16202 ?  771 ASN A CB  1 
ATOM   1046 C CG  . ASN A 1 176 ? -5.60290  -46.84197 0.83020   1.000 129.25940 ?  771 ASN A CG  1 
ATOM   1047 O OD1 . ASN A 1 176 ? -6.20193  -47.91349 0.79094   1.000 132.12097 ?  771 ASN A OD1 1 
ATOM   1048 N ND2 . ASN A 1 176 ? -4.28993  -46.75669 1.04140   1.000 125.30345 ?  771 ASN A ND2 1 
ATOM   1049 N N   . TYR A 1 177 ? -5.38571  -44.15263 3.70510   1.000 114.25028 ?  772 TYR A N   1 
ATOM   1050 C CA  . TYR A 1 177 ? -4.40317  -44.28993 4.77669   1.000 109.69996 ?  772 TYR A CA  1 
ATOM   1051 C C   . TYR A 1 177 ? -5.00083  -44.02957 6.16663   1.000 106.61824 ?  772 TYR A C   1 
ATOM   1052 O O   . TYR A 1 177 ? -6.21883  -43.92695 6.32776   1.000 102.76623 ?  772 TYR A O   1 
ATOM   1053 C CB  . TYR A 1 177 ? -3.23730  -43.33279 4.52026   1.000 106.75928 ?  772 TYR A CB  1 
ATOM   1054 C CG  . TYR A 1 177 ? -1.96263  -43.98623 4.03196   1.000 104.45107 ?  772 TYR A CG  1 
ATOM   1055 C CD1 . TYR A 1 177 ? -1.07690  -44.58968 4.91526   1.000 97.39041  ?  772 TYR A CD1 1 
ATOM   1056 C CD2 . TYR A 1 177 ? -1.66218  -44.02318 2.67646   1.000 107.50823 ?  772 TYR A CD2 1 
ATOM   1057 C CE1 . TYR A 1 177 ? 0.09532   -45.17880 4.46324   1.000 95.69282  ?  772 TYR A CE1 1 
ATOM   1058 C CE2 . TYR A 1 177 ? -0.50230  -44.62485 2.21249   1.000 105.87897 ?  772 TYR A CE2 1 
ATOM   1059 C CZ  . TYR A 1 177 ? 0.36956   -45.20314 3.10744   1.000 101.49334 ?  772 TYR A CZ  1 
ATOM   1060 O OH  . TYR A 1 177 ? 1.51973   -45.79420 2.63675   1.000 103.34344 ?  772 TYR A OH  1 
HETATM 1061 C C4  . S3V B 2 .   ? -6.50843  -17.58977 -17.05848 1.000 55.76441  ?  801 S3V A C4  1 
HETATM 1062 C C5  . S3V B 2 .   ? -7.09609  -18.89639 -16.40284 1.000 62.51130  ?  801 S3V A C5  1 
HETATM 1063 N N   . S3V B 2 .   ? -5.49058  -15.22931 -18.25981 1.000 57.05892  ?  801 S3V A N   1 
HETATM 1064 C C   . S3V B 2 .   ? -5.87799  -16.60126 -16.28900 1.000 60.51427  ?  801 S3V A C   1 
HETATM 1065 O O   . S3V B 2 .   ? -8.10862  -18.75665 -15.66191 1.000 72.68467  -1 801 S3V A O   1 
HETATM 1066 C C1  . S3V B 2 .   ? -5.38649  -15.44151 -16.92412 1.000 56.82425  ?  801 S3V A C1  1 
HETATM 1067 C C2  . S3V B 2 .   ? -6.09942  -16.19224 -18.99595 1.000 54.77529  ?  801 S3V A C2  1 
HETATM 1068 C C3  . S3V B 2 .   ? -6.62296  -17.37199 -18.43366 1.000 53.70584  ?  801 S3V A C3  1 
HETATM 1069 O O1  . S3V B 2 .   ? -6.54852  -20.01232 -16.63705 1.000 65.44912  ?  801 S3V A O1  1 
HETATM 1070 H H1  . S3V B 2 .   ? -5.75191  -16.69769 -15.20152 1.000 72.50433  ?  801 S3V A H1  1 
HETATM 1071 H H2  . S3V B 2 .   ? -4.88009  -14.62334 -16.36872 1.000 68.07631  ?  801 S3V A H2  1 
HETATM 1072 H H3  . S3V B 2 .   ? -6.15757  -15.98478 -20.08382 1.000 65.61756  ?  801 S3V A H3  1 
HETATM 1073 H H4  . S3V B 2 .   ? -7.11518  -18.10561 -19.08737 1.000 64.33421  ?  801 S3V A H4  1 
HETATM 1074 O O   . HOH C 3 .   ? -8.65042  -6.67007  -22.94895 1.000 51.39498  ?  901 HOH A O   1 
HETATM 1075 O O   . HOH C 3 .   ? -17.642   -23.464   -27.933   1.000 48.09167  ?  902 HOH A O   1 
HETATM 1076 O O   . HOH C 3 .   ? -3.29922  -9.56847  -24.61716 1.000 45.97617  ?  903 HOH A O   1 
HETATM 1077 O O   . HOH C 3 .   ? -18.74607 -19.69288 -34.36121 1.000 38.41280  ?  904 HOH A O   1 
HETATM 1078 O O   . HOH C 3 .   ? -6.26789  -15.94202 -38.74211 1.000 43.48494  ?  905 HOH A O   1 
HETATM 1079 O O   . HOH C 3 .   ? -9.33734  -37.44251 -32.40375 1.000 52.79809  ?  906 HOH A O   1 
HETATM 1080 O O   . HOH C 3 .   ? 11.77125  -24.46526 -13.95710 1.000 44.36017  ?  907 HOH A O   1 
HETATM 1081 O O   . HOH C 3 .   ? -1.13671  -17.02024 -36.25148 1.000 44.13231  ?  908 HOH A O   1 
HETATM 1082 O O   . HOH C 3 .   ? 1.83413   -29.58431 -16.29795 1.000 39.09161  ?  909 HOH A O   1 
HETATM 1083 O O   . HOH C 3 .   ? -12.65480 -32.67774 -25.48369 1.000 44.51684  ?  910 HOH A O   1 
HETATM 1084 O O   . HOH C 3 .   ? 1.29177   -27.91119 -18.15148 1.000 37.20331  ?  911 HOH A O   1 
HETATM 1085 O O   . HOH C 3 .   ? -7.39952  -22.50413 -19.69492 1.000 50.11841  ?  912 HOH A O   1 
HETATM 1086 O O   . HOH C 3 .   ? -3.54533  -14.41506 -22.77741 1.000 40.89405  ?  913 HOH A O   1 
HETATM 1087 O O   . HOH C 3 .   ? -14.89038 -28.82147 -30.22427 1.000 42.11576  ?  914 HOH A O   1 
HETATM 1088 O O   . HOH C 3 .   ? -15.11073 -26.36519 -39.47967 1.000 49.71630  ?  915 HOH A O   1 
HETATM 1089 O O   . HOH C 3 .   ? -10.06323 -23.94096 -23.90021 1.000 36.48799  ?  916 HOH A O   1 
HETATM 1090 O O   . HOH C 3 .   ? -18.60990 -17.15092 -33.02804 1.000 34.83579  ?  917 HOH A O   1 
HETATM 1091 O O   . HOH C 3 .   ? -11.774   -36.979   -25.160   1.000 47.30784  ?  918 HOH A O   1 
HETATM 1092 O O   . HOH C 3 .   ? -15.57853 -7.51762  -21.99535 1.000 52.32126  ?  919 HOH A O   1 
HETATM 1093 O O   . HOH C 3 .   ? -13.21453 -14.22976 -36.09256 1.000 42.45303  ?  920 HOH A O   1 
HETATM 1094 O O   . HOH C 3 .   ? -2.47560  -30.70644 -33.37148 1.000 44.53374  ?  921 HOH A O   1 
HETATM 1095 O O   . HOH C 3 .   ? -0.05386  -33.69735 -32.72619 1.000 50.09916  ?  922 HOH A O   1 
HETATM 1096 O O   . HOH C 3 .   ? -17.24962 -27.43193 -28.49790 1.000 43.63047  ?  923 HOH A O   1 
HETATM 1097 O O   . HOH C 3 .   ? 0.49808   -7.27707  -15.05490 1.000 54.24328  ?  924 HOH A O   1 
HETATM 1098 O O   . HOH C 3 .   ? 10.42752  -32.37059 -23.28238 1.000 46.85608  ?  925 HOH A O   1 
HETATM 1099 O O   . HOH C 3 .   ? -7.54392  -12.19723 -18.14279 1.000 52.04328  ?  926 HOH A O   1 
HETATM 1100 O O   . HOH C 3 .   ? -6.10678  -36.37392 -14.97208 1.000 51.52195  ?  927 HOH A O   1 
HETATM 1101 O O   . HOH C 3 .   ? 0.18125   -9.38654  -19.07373 1.000 49.71083  ?  928 HOH A O   1 
HETATM 1102 O O   . HOH C 3 .   ? 2.89766   -31.72901 -16.12332 1.000 47.38619  ?  929 HOH A O   1 
HETATM 1103 O O   . HOH C 3 .   ? 0.59635   -14.17585 -17.66680 1.000 45.10867  ?  930 HOH A O   1 
HETATM 1104 O O   . HOH C 3 .   ? -10.45104 -36.99849 -4.67014  1.000 61.83835  ?  931 HOH A O   1 
HETATM 1105 O O   . HOH C 3 .   ? -8.66076  -6.86326  -32.96767 1.000 55.06558  ?  932 HOH A O   1 
HETATM 1106 O O   . HOH C 3 .   ? -7.62357  -24.61286 -22.74730 1.000 38.72441  ?  933 HOH A O   1 
HETATM 1107 O O   . HOH C 3 .   ? 9.81071   -25.00435 -21.23002 1.000 44.17367  ?  934 HOH A O   1 
HETATM 1108 O O   . HOH C 3 .   ? 3.27733   -12.24737 -19.08238 1.000 51.30566  ?  935 HOH A O   1 
HETATM 1109 O O   . HOH C 3 .   ? 6.618     -19.878   -29.773   1.000 40.09640  ?  936 HOH A O   1 
HETATM 1110 O O   . HOH C 3 .   ? -15.84668 -14.36925 -35.63795 1.000 41.17120  ?  937 HOH A O   1 
HETATM 1111 O O   . HOH C 3 .   ? -2.25822  -8.33950  -19.34771 1.000 49.89951  ?  938 HOH A O   1 
HETATM 1112 O O   . HOH C 3 .   ? 2.08767   -17.98714 -32.52277 1.000 50.19241  ?  939 HOH A O   1 
HETATM 1113 O O   . HOH C 3 .   ? -11.85557 -25.10156 -40.62193 1.000 42.19756  ?  940 HOH A O   1 
HETATM 1114 O O   . HOH C 3 .   ? -1.76019  -5.63321  -33.26260 1.000 51.15822  ?  941 HOH A O   1 
HETATM 1115 O O   . HOH C 3 .   ? -7.52468  -13.96133 -20.88918 1.000 56.05453  ?  942 HOH A O   1 
HETATM 1116 O O   . HOH C 3 .   ? -16.21091 -6.17843  -29.28136 1.000 50.25715  ?  943 HOH A O   1 
HETATM 1117 O O   . HOH C 3 .   ? -5.26888  -23.85175 -16.71352 1.000 45.13913  ?  944 HOH A O   1 
HETATM 1118 O O   . HOH C 3 .   ? -8.53031  -26.14178 -15.64372 1.000 69.15710  ?  945 HOH A O   1 
HETATM 1119 O O   . HOH C 3 .   ? -4.41506  -26.80821 -12.06799 1.000 51.55740  ?  946 HOH A O   1 
HETATM 1120 O O   . HOH C 3 .   ? 7.21665   -16.49193 -15.36204 1.000 43.61562  ?  947 HOH A O   1 
HETATM 1121 O O   . HOH C 3 .   ? -7.30488  -29.18645 -37.51625 1.000 44.17731  ?  948 HOH A O   1 
HETATM 1122 O O   . HOH C 3 .   ? -9.49586  -29.75530 -35.86693 1.000 40.10566  ?  949 HOH A O   1 
HETATM 1123 O O   . HOH C 3 .   ? -15.82234 -8.58541  -35.27407 1.000 44.64296  ?  950 HOH A O   1 
HETATM 1124 O O   . HOH C 3 .   ? 11.98552  -26.07213 -11.40959 1.000 56.38266  ?  951 HOH A O   1 
HETATM 1125 O O   . HOH C 3 .   ? -1.43227  -20.63970 -38.29486 1.000 47.33613  ?  952 HOH A O   1 
HETATM 1126 O O   . HOH C 3 .   ? -4.21789  -24.71429 -13.90856 1.000 49.76333  ?  953 HOH A O   1 
HETATM 1127 O O   . HOH C 3 .   ? 10.90775  -27.92091 -24.99569 1.000 49.34093  ?  954 HOH A O   1 
HETATM 1128 O O   . HOH C 3 .   ? -16.88446 -28.71072 -32.27630 1.000 48.99598  ?  955 HOH A O   1 
HETATM 1129 O O   . HOH C 3 .   ? -12.64849 -15.23931 -38.31378 1.000 47.32498  ?  956 HOH A O   1 
HETATM 1130 O O   . HOH C 3 .   ? 4.09015   -18.98749 -31.34644 1.000 45.30325  ?  957 HOH A O   1 
HETATM 1131 O O   . HOH C 3 .   ? -1.25360  -7.80509  -25.41285 1.000 48.87688  ?  958 HOH A O   1 
HETATM 1132 O O   . HOH C 3 .   ? -3.25553  -12.66002 -24.58500 1.000 44.23469  ?  959 HOH A O   1 
HETATM 1133 O O   . HOH C 3 .   ? -13.37756 -33.14236 -28.09620 1.000 40.56473  ?  960 HOH A O   1 
HETATM 1134 O O   . HOH C 3 .   ? -8.83571  -31.82957 -35.49506 1.000 46.66003  ?  961 HOH A O   1 
HETATM 1135 O O   . HOH C 3 .   ? -18.166   -0.642    -25.209   1.000 55.01115  ?  962 HOH A O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . LYS A 39  ? 0.91569 1.15027 0.55155 0.07942  -0.10948 0.00668  616 LYS A N   
2    C CA  . LYS A 39  ? 0.84330 1.06212 0.52146 0.07115  -0.12324 -0.02541 616 LYS A CA  
3    C C   . LYS A 39  ? 0.73888 0.94382 0.46981 0.06227  -0.09821 -0.02586 616 LYS A C   
4    O O   . LYS A 39  ? 0.73733 0.93300 0.52075 0.05266  -0.10559 -0.03307 616 LYS A O   
5    C CB  . LYS A 39  ? 0.88192 1.09512 0.51786 0.07706  -0.13490 -0.06555 616 LYS A CB  
6    C CG  . LYS A 39  ? 0.95121 1.15960 0.60233 0.07120  -0.17404 -0.08876 616 LYS A CG  
7    C CD  . LYS A 39  ? 1.06715 1.26280 0.67806 0.07666  -0.18650 -0.13179 616 LYS A CD  
8    C CE  . LYS A 39  ? 1.15699 1.36589 0.68132 0.09485  -0.18085 -0.13471 616 LYS A CE  
9    N NZ  . LYS A 39  ? 1.29305 1.48546 0.77576 0.10189  -0.19609 -0.17989 616 LYS A NZ  
10   N N   . ASN A 40  ? 0.67801 0.88456 0.39572 0.06547  -0.06845 -0.01709 617 ASN A N   
11   C CA  . ASN A 40  ? 0.61735 0.81109 0.37853 0.05798  -0.04809 -0.02162 617 ASN A CA  
12   C C   . ASN A 40  ? 0.60183 0.79073 0.41439 0.04892  -0.04510 0.00197  617 ASN A C   
13   O O   . ASN A 40  ? 0.61049 0.80565 0.42193 0.04986  -0.03997 0.03142  617 ASN A O   
14   C CB  . ASN A 40  ? 0.61234 0.81340 0.35100 0.06423  -0.01927 -0.01822 617 ASN A CB  
15   C CG  . ASN A 40  ? 0.60425 0.79241 0.38312 0.05801  -0.00342 -0.02761 617 ASN A CG  
16   O OD1 . ASN A 40  ? 0.65174 0.82661 0.43639 0.05847  -0.00781 -0.05539 617 ASN A OD1 
17   N ND2 . ASN A 40  ? 0.56937 0.75902 0.37817 0.05140  0.01215  -0.00396 617 ASN A ND2 
18   N N   . VAL A 41  ? 0.52726 0.70395 0.38455 0.04059  -0.04770 -0.01099 618 VAL A N   
19   C CA  . VAL A 41  ? 0.48251 0.65441 0.38701 0.03450  -0.04613 0.00367  618 VAL A CA  
20   C C   . VAL A 41  ? 0.44763 0.60905 0.37346 0.02912  -0.02379 0.00315  618 VAL A C   
21   O O   . VAL A 41  ? 0.45034 0.60490 0.38019 0.02609  -0.01849 -0.01590 618 VAL A O   
22   C CB  . VAL A 41  ? 0.46691 0.63943 0.40647 0.02981  -0.06467 -0.00903 618 VAL A CB  
23   C CG1 . VAL A 41  ? 0.41113 0.58191 0.39641 0.02762  -0.06018 0.00405  618 VAL A CG1 
24   C CG2 . VAL A 41  ? 0.49595 0.68066 0.41612 0.03428  -0.09186 -0.01144 618 VAL A CG2 
25   N N   . VAL A 42  ? 0.40474 0.56283 0.34678 0.02755  -0.01372 0.02393  619 VAL A N   
26   C CA  . VAL A 42  ? 0.44229 0.59117 0.40365 0.02194  0.00371  0.02383  619 VAL A CA  
27   C C   . VAL A 42  ? 0.41113 0.54992 0.40991 0.01738  0.00176  0.01620  619 VAL A C   
28   O O   . VAL A 42  ? 0.41648 0.55238 0.43608 0.01918  -0.00462 0.02554  619 VAL A O   
29   C CB  . VAL A 42  ? 0.42525 0.57457 0.38651 0.02067  0.01440  0.04863  619 VAL A CB  
30   C CG1 . VAL A 42  ? 0.36776 0.50816 0.35221 0.01373  0.02736  0.04579  619 VAL A CG1 
31   C CG2 . VAL A 42  ? 0.46583 0.63186 0.38860 0.02580  0.02117  0.05913  619 VAL A CG2 
32   N N   . ILE A 43  ? 0.40346 0.53726 0.41030 0.01289  0.00840  0.00033  620 ILE A N   
33   C CA  . ILE A 43  ? 0.36335 0.49154 0.39890 0.00876  0.01027  -0.00723 620 ILE A CA  
34   C C   . ILE A 43  ? 0.40930 0.52777 0.45020 0.00497  0.02294  -0.00616 620 ILE A C   
35   O O   . ILE A 43  ? 0.38956 0.50754 0.41758 0.00356  0.02966  -0.00720 620 ILE A O   
36   C CB  . ILE A 43  ? 0.37749 0.50815 0.41803 0.00480  0.00573  -0.02283 620 ILE A CB  
37   C CG1 . ILE A 43  ? 0.42119 0.56131 0.45530 0.00709  -0.01143 -0.02683 620 ILE A CG1 
38   C CG2 . ILE A 43  ? 0.33485 0.46526 0.40299 0.00027  0.01144  -0.02659 620 ILE A CG2 
39   C CD1 . ILE A 43  ? 0.39961 0.54933 0.44858 0.01170  -0.02164 -0.01602 620 ILE A CD1 
40   N N   . TYR A 44  ? 0.39862 0.51038 0.45910 0.00458  0.02513  -0.00577 621 TYR A N   
41   C CA  . TYR A 44  ? 0.39771 0.49906 0.46188 0.00078  0.03287  -0.00753 621 TYR A CA  
42   C C   . TYR A 44  ? 0.43386 0.53467 0.50674 -0.00041 0.03710  -0.01951 621 TYR A C   
43   O O   . TYR A 44  ? 0.39567 0.50052 0.48351 0.00385  0.03640  -0.02282 621 TYR A O   
44   C CB  . TYR A 44  ? 0.35554 0.44549 0.43063 0.00190  0.03077  0.00212  621 TYR A CB  
45   C CG  . TYR A 44  ? 0.43573 0.51329 0.51573 -0.00288 0.03409  -0.00293 621 TYR A CG  
46   C CD1 . TYR A 44  ? 0.39372 0.47336 0.46826 -0.00929 0.03708  0.00167  621 TYR A CD1 
47   C CD2 . TYR A 44  ? 0.41128 0.47697 0.50163 0.00018  0.03341  -0.01389 621 TYR A CD2 
48   C CE1 . TYR A 44  ? 0.35637 0.42612 0.43709 -0.01463 0.03580  -0.00333 621 TYR A CE1 
49   C CE2 . TYR A 44  ? 0.42170 0.47474 0.51154 -0.00399 0.03293  -0.02155 621 TYR A CE2 
50   C CZ  . TYR A 44  ? 0.47559 0.53053 0.56127 -0.01250 0.03237  -0.01555 621 TYR A CZ  
51   O OH  . TYR A 44  ? 0.45937 0.50344 0.54623 -0.01760 0.02777  -0.02324 621 TYR A OH  
52   N N   . ALA A 45  ? 0.39732 0.49588 0.46176 -0.00519 0.04213  -0.02418 622 ALA A N   
53   C CA  . ALA A 45  ? 0.41440 0.51406 0.48085 -0.00722 0.04776  -0.03138 622 ALA A CA  
54   C C   . ALA A 45  ? 0.45286 0.54297 0.50983 -0.00963 0.04982  -0.03343 622 ALA A C   
55   O O   . ALA A 45  ? 0.45994 0.54822 0.50978 -0.01298 0.04839  -0.03019 622 ALA A O   
56   C CB  . ALA A 45  ? 0.37435 0.47960 0.43948 -0.01176 0.04814  -0.03228 622 ALA A CB  
57   N N   . ASP A 46  ? 0.41967 0.50439 0.47718 -0.00676 0.05188  -0.04032 623 ASP A N   
58   C CA  . ASP A 46  ? 0.46437 0.53918 0.51032 -0.00944 0.04958  -0.04490 623 ASP A CA  
59   C C   . ASP A 46  ? 0.53257 0.61232 0.56305 -0.00920 0.05627  -0.05085 623 ASP A C   
60   O O   . ASP A 46  ? 0.49577 0.58710 0.52985 -0.00646 0.06518  -0.05168 623 ASP A O   
61   C CB  . ASP A 46  ? 0.46482 0.52450 0.51799 -0.00663 0.04367  -0.05082 623 ASP A CB  
62   C CG  . ASP A 46  ? 0.55965 0.61784 0.61932 0.00321  0.04832  -0.06115 623 ASP A CG  
63   O OD1 . ASP A 46  ? 0.60275 0.67622 0.65968 0.00676  0.05828  -0.06410 623 ASP A OD1 
64   O OD2 . ASP A 46  ? 0.50183 0.54386 0.57305 0.00762  0.04221  -0.06567 623 ASP A OD2 
65   N N   . GLY A 47  ? 0.48436 0.55831 0.49876 -0.01263 0.05161  -0.05267 624 GLY A N   
66   C CA  . GLY A 47  ? 0.52759 0.60618 0.51959 -0.01205 0.05704  -0.05604 624 GLY A CA  
67   C C   . GLY A 47  ? 0.51030 0.58229 0.48520 -0.01625 0.04607  -0.05566 624 GLY A C   
68   O O   . GLY A 47  ? 0.46181 0.52806 0.44856 -0.02009 0.03510  -0.05294 624 GLY A O   
69   N N   . VAL A 48  ? 0.48874 0.56490 0.43637 -0.01541 0.04915  -0.05683 625 VAL A N   
70   C CA  . VAL A 48  ? 0.50733 0.57941 0.43648 -0.01897 0.03565  -0.05471 625 VAL A CA  
71   C C   . VAL A 48  ? 0.51829 0.59470 0.45854 -0.02361 0.03249  -0.03622 625 VAL A C   
72   O O   . VAL A 48  ? 0.46376 0.53809 0.41218 -0.02611 0.01898  -0.03225 625 VAL A O   
73   C CB  . VAL A 48  ? 0.54907 0.62459 0.43776 -0.01514 0.03880  -0.06153 625 VAL A CB  
74   C CG1 . VAL A 48  ? 0.53995 0.61070 0.40654 -0.01843 0.01902  -0.06106 625 VAL A CG1 
75   C CG2 . VAL A 48  ? 0.53416 0.60482 0.41375 -0.00658 0.04488  -0.08388 625 VAL A CG2 
76   N N   . TYR A 49  ? 0.44310 0.52550 0.38961 -0.02442 0.04414  -0.02552 626 TYR A N   
77   C CA  . TYR A 49  ? 0.46224 0.54329 0.41950 -0.02735 0.04093  -0.01008 626 TYR A CA  
78   C C   . TYR A 49  ? 0.50624 0.58541 0.44508 -0.02810 0.02932  -0.00070 626 TYR A C   
79   O O   . TYR A 49  ? 0.48772 0.56388 0.44097 -0.02737 0.01864  0.00627  626 TYR A O   
80   C CB  . TYR A 49  ? 0.48950 0.56774 0.47449 -0.02611 0.03675  -0.01167 626 TYR A CB  
81   C CG  . TYR A 49  ? 0.47647 0.55708 0.47518 -0.02507 0.04519  -0.01843 626 TYR A CG  
82   C CD1 . TYR A 49  ? 0.46037 0.54338 0.46684 -0.02697 0.05254  -0.01457 626 TYR A CD1 
83   C CD2 . TYR A 49  ? 0.47913 0.55949 0.48547 -0.02310 0.04367  -0.02680 626 TYR A CD2 
84   C CE1 . TYR A 49  ? 0.48273 0.57021 0.50269 -0.02576 0.05660  -0.02029 626 TYR A CE1 
85   C CE2 . TYR A 49  ? 0.48952 0.57227 0.50721 -0.02112 0.04896  -0.03026 626 TYR A CE2 
86   C CZ  . TYR A 49  ? 0.50561 0.59321 0.52922 -0.02186 0.05478  -0.02775 626 TYR A CZ  
87   O OH  . TYR A 49  ? 0.49678 0.58908 0.53303 -0.01962 0.05663  -0.03081 626 TYR A OH  
88   N N   . ASP A 50  ? 0.49716 0.58020 0.40294 -0.02793 0.03118  -0.00089 627 ASP A N   
89   C CA  . ASP A 50  ? 0.52510 0.60790 0.40624 -0.02842 0.01889  0.01069  627 ASP A CA  
90   C C   . ASP A 50  ? 0.59958 0.68136 0.48265 -0.03158 0.02432  0.03493  627 ASP A C   
91   O O   . ASP A 50  ? 0.53077 0.61772 0.41392 -0.03473 0.04113  0.04143  627 ASP A O   
92   C CB  . ASP A 50  ? 0.54698 0.63462 0.38395 -0.02587 0.01889  0.00005  627 ASP A CB  
93   C CG  . ASP A 50  ? 0.61130 0.69882 0.41865 -0.02580 -0.00085 0.00803  627 ASP A CG  
94   O OD1 . ASP A 50  ? 0.59797 0.68216 0.42713 -0.02701 -0.01797 0.01725  627 ASP A OD1 
95   O OD2 . ASP A 50  ? 0.67324 0.76611 0.43459 -0.02323 0.00034  0.00461  627 ASP A OD2 
96   N N   . MET A 51  ? 0.50855 0.58379 0.39902 -0.03090 0.00918  0.04933  628 MET A N   
97   C CA  . MET A 51  ? 0.54348 0.61154 0.43747 -0.03362 0.00959  0.07479  628 MET A CA  
98   C C   . MET A 51  ? 0.57766 0.64011 0.50066 -0.03806 0.02392  0.07691  628 MET A C   
99   O O   . MET A 51  ? 0.57141 0.63693 0.48901 -0.04479 0.03628  0.09122  628 MET A O   
100  C CB  . MET A 51  ? 0.59188 0.66737 0.44187 -0.03632 0.01249  0.09194  628 MET A CB  
101  C CG  . MET A 51  ? 0.59911 0.67546 0.42209 -0.03234 -0.00946 0.09857  628 MET A CG  
102  S SD  . MET A 51  ? 0.90942 1.00024 0.66353 -0.03308 -0.00331 0.10790  628 MET A SD  
103  C CE  . MET A 51  ? 0.80210 0.90538 0.55184 -0.03332 0.02603  0.08419  628 MET A CE  
104  N N   . LEU A 52  ? 0.52811 0.58415 0.48290 -0.03457 0.02122  0.06321  629 LEU A N   
105  C CA  . LEU A 52  ? 0.49351 0.54515 0.47346 -0.03785 0.03093  0.05772  629 LEU A CA  
106  C C   . LEU A 52  ? 0.55491 0.59450 0.54715 -0.04522 0.03255  0.07797  629 LEU A C   
107  O O   . LEU A 52  ? 0.52330 0.54635 0.52479 -0.04326 0.02128  0.09140  629 LEU A O   
108  C CB  . LEU A 52  ? 0.49703 0.54254 0.50188 -0.03078 0.02491  0.04274  629 LEU A CB  
109  C CG  . LEU A 52  ? 0.48117 0.52754 0.50192 -0.03253 0.03302  0.02953  629 LEU A CG  
110  C CD1 . LEU A 52  ? 0.47853 0.53979 0.48942 -0.03175 0.03978  0.01650  629 LEU A CD1 
111  C CD2 . LEU A 52  ? 0.51017 0.54661 0.55076 -0.02497 0.02696  0.01989  629 LEU A CD2 
112  N N   . HIS A 53  ? 0.50961 0.55730 0.50804 -0.05378 0.04568  0.08076  630 HIS A N   
113  C CA  . HIS A 53  ? 0.58694 0.62521 0.60389 -0.06472 0.04785  0.10194  630 HIS A CA  
114  C C   . HIS A 53  ? 0.51408 0.54928 0.56524 -0.07041 0.04969  0.09008  630 HIS A C   
115  O O   . HIS A 53  ? 0.48677 0.52781 0.54258 -0.06451 0.04959  0.06712  630 HIS A O   
116  C CB  . HIS A 53  ? 0.67013 0.72758 0.66422 -0.07260 0.06243  0.12396  630 HIS A CB  
117  C CG  . HIS A 53  ? 0.72282 0.80831 0.69931 -0.06971 0.07883  0.10901  630 HIS A CG  
118  N ND1 . HIS A 53  ? 0.71865 0.82077 0.71926 -0.07516 0.09225  0.10378  630 HIS A ND1 
119  C CD2 . HIS A 53  ? 0.74829 0.84666 0.68835 -0.06087 0.08216  0.09679  630 HIS A CD2 
120  C CE1 . HIS A 53  ? 0.73264 0.85672 0.71325 -0.06789 0.10482  0.08957  630 HIS A CE1 
121  N NE2 . HIS A 53  ? 0.81534 0.93525 0.75770 -0.05940 0.09878  0.08384  630 HIS A NE2 
122  N N   . LEU A 54  ? 0.51017 0.53580 0.58615 -0.08308 0.04946  0.10794  631 LEU A N   
123  C CA  . LEU A 54  ? 0.49263 0.51347 0.60420 -0.09070 0.04611  0.09731  631 LEU A CA  
124  C C   . LEU A 54  ? 0.51724 0.56980 0.63155 -0.09226 0.05936  0.08581  631 LEU A C   
125  O O   . LEU A 54  ? 0.45489 0.50763 0.58584 -0.09044 0.05313  0.06582  631 LEU A O   
126  C CB  . LEU A 54  ? 0.49634 0.50184 0.63837 -0.10733 0.04253  0.12235  631 LEU A CB  
127  C CG  . LEU A 54  ? 0.54825 0.54672 0.73223 -0.11861 0.03446  0.11249  631 LEU A CG  
128  C CD1 . LEU A 54  ? 0.52352 0.49063 0.71298 -0.10764 0.01489  0.08489  631 LEU A CD1 
129  C CD2 . LEU A 54  ? 0.48364 0.47252 0.70253 -0.13970 0.03351  0.14368  631 LEU A CD2 
130  N N   . GLY A 55  ? 0.55635 0.63650 0.65348 -0.09394 0.07724  0.09777  632 GLY A N   
131  C CA  . GLY A 55  ? 0.56140 0.67146 0.66208 -0.09082 0.09015  0.08471  632 GLY A CA  
132  C C   . GLY A 55  ? 0.52805 0.63431 0.61592 -0.07675 0.08303  0.05725  632 GLY A C   
133  O O   . GLY A 55  ? 0.52428 0.64024 0.63085 -0.07510 0.08175  0.04337  632 GLY A O   
134  N N   . HIS A 56  ? 0.56869 0.66186 0.62740 -0.06724 0.07698  0.05154  633 HIS A N   
135  C CA  . HIS A 56  ? 0.52581 0.61494 0.57706 -0.05626 0.07015  0.03006  633 HIS A CA  
136  C C   . HIS A 56  ? 0.49256 0.56730 0.56479 -0.05581 0.05778  0.01949  633 HIS A C   
137  O O   . HIS A 56  ? 0.48031 0.56055 0.55602 -0.05047 0.05567  0.00491  633 HIS A O   
138  C CB  . HIS A 56  ? 0.58802 0.66768 0.61288 -0.04886 0.06399  0.02897  633 HIS A CB  
139  C CG  . HIS A 56  ? 0.61436 0.70682 0.61068 -0.04513 0.07165  0.02761  633 HIS A CG  
140  N ND1 . HIS A 56  ? 0.63545 0.72527 0.60542 -0.04489 0.06863  0.03868  633 HIS A ND1 
141  C CD2 . HIS A 56  ? 0.65599 0.76134 0.64434 -0.03991 0.07969  0.01424  633 HIS A CD2 
142  C CE1 . HIS A 56  ? 0.61502 0.71584 0.55835 -0.04016 0.07438  0.02994  633 HIS A CE1 
143  N NE2 . HIS A 56  ? 0.70161 0.81050 0.65715 -0.03660 0.08174  0.01430  633 HIS A NE2 
144  N N   . MET A 57  ? 0.43935 0.49363 0.52278 -0.05974 0.04836  0.02588  634 MET A N   
145  C CA  . MET A 57  ? 0.48020 0.51910 0.57561 -0.05556 0.03619  0.01011  634 MET A CA  
146  C C   . MET A 57  ? 0.43306 0.47809 0.55193 -0.06352 0.03253  0.00379  634 MET A C   
147  O O   . MET A 57  ? 0.42829 0.47094 0.54737 -0.05791 0.02427  -0.01344 634 MET A O   
148  C CB  . MET A 57  ? 0.46115 0.47232 0.56290 -0.05377 0.02552  0.01394  634 MET A CB  
149  C CG  . MET A 57  ? 0.45616 0.46376 0.54231 -0.04942 0.02688  0.02855  634 MET A CG  
150  S SD  . MET A 57  ? 0.44372 0.41786 0.54702 -0.05009 0.01406  0.04218  634 MET A SD  
151  C CE  . MET A 57  ? 0.47069 0.45135 0.55143 -0.03836 0.01285  0.05147  634 MET A CE  
152  N N   . LYS A 58  ? 0.40906 0.46505 0.54834 -0.07667 0.03816  0.01856  635 LYS A N   
153  C CA  . LYS A 58  ? 0.41982 0.48813 0.58809 -0.08493 0.03326  0.01322  635 LYS A CA  
154  C C   . LYS A 58  ? 0.41291 0.50531 0.57403 -0.07613 0.03848  0.00190  635 LYS A C   
155  O O   . LYS A 58  ? 0.41499 0.51161 0.58839 -0.07550 0.02735  -0.01047 635 LYS A O   
156  C CB  . LYS A 58  ? 0.39285 0.47514 0.59104 -0.10167 0.04127  0.03519  635 LYS A CB  
157  C CG  . LYS A 58  ? 0.43770 0.49184 0.65633 -0.11409 0.03005  0.04690  635 LYS A CG  
158  C CD  . LYS A 58  ? 0.48742 0.55530 0.72041 -0.12834 0.04480  0.07841  635 LYS A CD  
159  C CE  . LYS A 58  ? 0.52792 0.61140 0.81135 -0.14744 0.04255  0.08845  635 LYS A CE  
160  N NZ  . LYS A 58  ? 0.67272 0.74917 0.97838 -0.16557 0.04748  0.12191  635 LYS A NZ  
161  N N   . GLN A 59  ? 0.41947 0.52580 0.56026 -0.06880 0.05316  0.00570  636 GLN A N   
162  C CA  . GLN A 59  ? 0.41523 0.53777 0.55002 -0.05875 0.05682  -0.00482 636 GLN A CA  
163  C C   . GLN A 59  ? 0.42476 0.53360 0.54412 -0.04958 0.04488  -0.01896 636 GLN A C   
164  O O   . GLN A 59  ? 0.42315 0.54111 0.54873 -0.04536 0.03901  -0.02649 636 GLN A O   
165  C CB  . GLN A 59  ? 0.43880 0.57014 0.55166 -0.05193 0.07171  -0.00183 636 GLN A CB  
166  C CG  . GLN A 59  ? 0.54831 0.70733 0.67572 -0.05110 0.08623  0.00140  636 GLN A CG  
167  C CD  . GLN A 59  ? 0.62871 0.79163 0.72907 -0.04035 0.09779  -0.00407 636 GLN A CD  
168  O OE1 . GLN A 59  ? 0.61716 0.77406 0.69126 -0.04103 0.10318  0.00153  636 GLN A OE1 
169  N NE2 . GLN A 59  ? 0.63318 0.80470 0.74000 -0.02991 0.09951  -0.01548 636 GLN A NE2 
170  N N   . LEU A 60  ? 0.40138 0.49137 0.50094 -0.04545 0.04189  -0.02081 637 LEU A N   
171  C CA  . LEU A 60  ? 0.38679 0.46932 0.47205 -0.03619 0.03457  -0.03218 637 LEU A CA  
172  C C   . LEU A 60  ? 0.39469 0.47049 0.48805 -0.03747 0.02104  -0.04269 637 LEU A C   
173  O O   . LEU A 60  ? 0.35139 0.43248 0.43529 -0.03099 0.01533  -0.05118 637 LEU A O   
174  C CB  . LEU A 60  ? 0.43045 0.50005 0.50012 -0.03065 0.03572  -0.03126 637 LEU A CB  
175  C CG  . LEU A 60  ? 0.40187 0.47760 0.46073 -0.02950 0.04422  -0.02374 637 LEU A CG  
176  C CD1 . LEU A 60  ? 0.48823 0.55368 0.53950 -0.02611 0.04201  -0.01995 637 LEU A CD1 
177  C CD2 . LEU A 60  ? 0.42609 0.51155 0.47896 -0.02413 0.04669  -0.02811 637 LEU A CD2 
178  N N   . GLU A 61  ? 0.38769 0.45028 0.49743 -0.04610 0.01413  -0.04188 638 GLU A N   
179  C CA  . GLU A 61  ? 0.41535 0.46895 0.53481 -0.04886 -0.00255 -0.05527 638 GLU A CA  
180  C C   . GLU A 61  ? 0.39316 0.46892 0.52675 -0.05246 -0.00813 -0.05675 638 GLU A C   
181  O O   . GLU A 61  ? 0.38324 0.45887 0.50837 -0.04807 -0.02218 -0.07037 638 GLU A O   
182  C CB  . GLU A 61  ? 0.41587 0.44946 0.55986 -0.06096 -0.01090 -0.05186 638 GLU A CB  
183  C CG  . GLU A 61  ? 0.38616 0.40700 0.54078 -0.06444 -0.03226 -0.07003 638 GLU A CG  
184  C CD  . GLU A 61  ? 0.45763 0.45491 0.64500 -0.07947 -0.04427 -0.06658 638 GLU A CD  
185  O OE1 . GLU A 61  ? 0.45685 0.45387 0.66172 -0.08934 -0.03378 -0.04438 638 GLU A OE1 
186  O OE2 . GLU A 61  ? 0.46980 0.44845 0.66485 -0.08195 -0.06550 -0.08580 638 GLU A OE2 
187  N N   . GLN A 62  ? 0.38050 0.47743 0.53434 -0.05859 0.00267  -0.04308 639 GLN A N   
188  C CA  . GLN A 62  ? 0.37350 0.49500 0.54985 -0.06059 -0.00268 -0.04309 639 GLN A CA  
189  C C   . GLN A 62  ? 0.42796 0.55652 0.58143 -0.04678 -0.00465 -0.04890 639 GLN A C   
190  O O   . GLN A 62  ? 0.40089 0.53615 0.55635 -0.04459 -0.02056 -0.05605 639 GLN A O   
191  C CB  . GLN A 62  ? 0.38240 0.52830 0.58582 -0.06649 0.01362  -0.02796 639 GLN A CB  
192  C CG  . GLN A 62  ? 0.41644 0.59082 0.65671 -0.06973 0.00691  -0.02689 639 GLN A CG  
193  C CD  . GLN A 62  ? 0.46149 0.66615 0.72838 -0.07104 0.02737  -0.01364 639 GLN A CD  
194  O OE1 . GLN A 62  ? 0.50282 0.70611 0.75918 -0.07281 0.04575  -0.00425 639 GLN A OE1 
195  N NE2 . GLN A 62  ? 0.46120 0.69568 0.76228 -0.06875 0.02417  -0.01291 639 GLN A NE2 
196  N N   . ALA A 63  ? 0.33126 0.45732 0.46281 -0.03816 0.00934  -0.04466 640 ALA A N   
197  C CA  . ALA A 63  ? 0.37504 0.50483 0.48810 -0.02696 0.00793  -0.04582 640 ALA A CA  
198  C C   . ALA A 63  ? 0.41378 0.53338 0.50112 -0.02186 -0.00423 -0.05517 640 ALA A C   
199  O O   . ALA A 63  ? 0.35599 0.48382 0.43499 -0.01629 -0.01423 -0.05607 640 ALA A O   
200  C CB  . ALA A 63  ? 0.37379 0.49889 0.47237 -0.02166 0.02284  -0.04016 640 ALA A CB  
201  N N   . LYS A 64  ? 0.45425 0.55681 0.52757 -0.02205 -0.00349 -0.06212 641 LYS A N   
202  C CA  . LYS A 64  ? 0.38453 0.47904 0.43093 -0.01433 -0.01234 -0.07463 641 LYS A CA  
203  C C   . LYS A 64  ? 0.43322 0.53135 0.48260 -0.01673 -0.03307 -0.08545 641 LYS A C   
204  O O   . LYS A 64  ? 0.42679 0.53034 0.44946 -0.00831 -0.04136 -0.09089 641 LYS A O   
205  C CB  . LYS A 64  ? 0.36993 0.44450 0.41011 -0.01281 -0.00958 -0.08310 641 LYS A CB  
206  C CG  . LYS A 64  ? 0.42903 0.49452 0.44184 -0.00226 -0.01788 -0.10158 641 LYS A CG  
207  C CD  . LYS A 64  ? 0.40926 0.48879 0.39182 0.01040  -0.00691 -0.09759 641 LYS A CD  
208  C CE  . LYS A 64  ? 0.44875 0.52334 0.39919 0.02335  -0.01187 -0.11754 641 LYS A CE  
209  N NZ  . LYS A 64  ? 0.46889 0.56375 0.39041 0.03421  0.00082  -0.10881 641 LYS A NZ  
210  N N   . LYS A 65  ? 0.43542 0.53268 0.51754 -0.02894 -0.04256 -0.08713 642 LYS A N   
211  C CA  . LYS A 65  ? 0.42206 0.52172 0.51379 -0.03399 -0.06669 -0.09916 642 LYS A CA  
212  C C   . LYS A 65  ? 0.41540 0.54224 0.52830 -0.03550 -0.07427 -0.08950 642 LYS A C   
213  O O   . LYS A 65  ? 0.39158 0.52599 0.52581 -0.04289 -0.09590 -0.09629 642 LYS A O   
214  C CB  . LYS A 65  ? 0.42389 0.50867 0.54889 -0.04894 -0.07613 -0.10459 642 LYS A CB  
215  C CG  . LYS A 65  ? 0.40381 0.45715 0.51137 -0.04546 -0.07454 -0.11662 642 LYS A CG  
216  C CD  . LYS A 65  ? 0.42461 0.45690 0.56685 -0.06083 -0.08851 -0.12158 642 LYS A CD  
217  C CE  . LYS A 65  ? 0.46438 0.46198 0.59126 -0.05386 -0.08636 -0.13252 642 LYS A CE  
218  N NZ  . LYS A 65  ? 0.54372 0.51137 0.70360 -0.06775 -0.10346 -0.13880 642 LYS A NZ  
219  N N   . LEU A 66  ? 0.42894 0.56962 0.54026 -0.02837 -0.05911 -0.07457 643 LEU A N   
220  C CA  . LEU A 66  ? 0.42359 0.58870 0.55891 -0.02642 -0.06621 -0.06517 643 LEU A CA  
221  C C   . LEU A 66  ? 0.43745 0.60838 0.55269 -0.02076 -0.09087 -0.07158 643 LEU A C   
222  O O   . LEU A 66  ? 0.41372 0.60431 0.55757 -0.02321 -0.10839 -0.06925 643 LEU A O   
223  C CB  . LEU A 66  ? 0.41331 0.58362 0.54548 -0.01720 -0.04737 -0.05112 643 LEU A CB  
224  C CG  . LEU A 66  ? 0.37597 0.54891 0.53234 -0.02149 -0.02627 -0.04489 643 LEU A CG  
225  C CD1 . LEU A 66  ? 0.40700 0.57695 0.55245 -0.01152 -0.01127 -0.03687 643 LEU A CD1 
226  C CD2 . LEU A 66  ? 0.32941 0.52710 0.53478 -0.02818 -0.02903 -0.04137 643 LEU A CD2 
227  N N   . PHE A 67  ? 0.44681 0.60434 0.51255 -0.01212 -0.09227 -0.07861 644 PHE A N   
228  C CA  . PHE A 67  ? 0.48762 0.65000 0.52215 -0.00574 -0.11545 -0.08619 644 PHE A CA  
229  C C   . PHE A 67  ? 0.49834 0.64033 0.49330 -0.00305 -0.11940 -0.10831 644 PHE A C   
230  O O   . PHE A 67  ? 0.52633 0.65139 0.51980 -0.00415 -0.10260 -0.11366 644 PHE A O   
231  C CB  . PHE A 67  ? 0.47819 0.65106 0.48561 0.00666  -0.11134 -0.06796 644 PHE A CB  
232  C CG  . PHE A 67  ? 0.48248 0.67209 0.53030 0.00744  -0.11149 -0.04905 644 PHE A CG  
233  C CD1 . PHE A 67  ? 0.44243 0.65118 0.51112 0.00815  -0.13699 -0.04601 644 PHE A CD1 
234  C CD2 . PHE A 67  ? 0.44153 0.62783 0.50831 0.00872  -0.08798 -0.03637 644 PHE A CD2 
235  C CE1 . PHE A 67  ? 0.46188 0.68710 0.57299 0.01212  -0.13638 -0.02959 644 PHE A CE1 
236  C CE2 . PHE A 67  ? 0.41301 0.61226 0.51723 0.01265  -0.08754 -0.02293 644 PHE A CE2 
237  C CZ  . PHE A 67  ? 0.38786 0.60699 0.51603 0.01528  -0.11042 -0.01917 644 PHE A CZ  
238  N N   . GLU A 68  ? 0.54452 0.68849 0.50670 0.00214  -0.14311 -0.12214 645 GLU A N   
239  C CA  . GLU A 68  ? 0.59939 0.72278 0.52571 0.00619  -0.15185 -0.15034 645 GLU A CA  
240  C C   . GLU A 68  ? 0.65045 0.76740 0.53093 0.02068  -0.12635 -0.15057 645 GLU A C   
241  O O   . GLU A 68  ? 0.64311 0.73985 0.51199 0.02442  -0.12053 -0.17042 645 GLU A O   
242  C CB  . GLU A 68  ? 0.64461 0.77387 0.54201 0.00939  -0.18573 -0.16685 645 GLU A CB  
243  C CG  . GLU A 68  ? 0.78365 0.89075 0.63369 0.01777  -0.19636 -0.20101 645 GLU A CG  
244  C CD  . GLU A 68  ? 0.87321 0.98933 0.67637 0.02522  -0.22780 -0.21623 645 GLU A CD  
245  O OE1 . GLU A 68  ? 0.94242 1.04080 0.69974 0.03444  -0.23947 -0.24883 645 GLU A OE1 
246  O OE2 . GLU A 68  ? 0.89476 1.03539 0.70584 0.02329  -0.24193 -0.19641 645 GLU A OE2 
247  N N   . ASN A 69  ? 0.64293 0.77742 0.50104 0.02917  -0.11169 -0.12793 646 ASN A N   
248  C CA  . ASN A 69  ? 0.60037 0.73640 0.42452 0.04083  -0.08521 -0.12208 646 ASN A CA  
249  C C   . ASN A 69  ? 0.55347 0.69767 0.40646 0.03650  -0.06399 -0.09237 646 ASN A C   
250  O O   . ASN A 69  ? 0.55165 0.70934 0.40702 0.03659  -0.06726 -0.07068 646 ASN A O   
251  C CB  . ASN A 69  ? 0.65152 0.80227 0.41411 0.05509  -0.08848 -0.12191 646 ASN A CB  
252  C CG  . ASN A 69  ? 0.83848 0.98042 0.56561 0.06076  -0.11391 -0.15534 646 ASN A CG  
253  O OD1 . ASN A 69  ? 0.84358 0.96415 0.57377 0.06183  -0.11547 -0.18349 646 ASN A OD1 
254  N ND2 . ASN A 69  ? 0.80286 0.95907 0.49530 0.06508  -0.13633 -0.15314 646 ASN A ND2 
255  N N   . THR A 70  ? 0.53032 0.66461 0.40517 0.03336  -0.04470 -0.09180 647 THR A N   
256  C CA  . THR A 70  ? 0.45294 0.59200 0.35336 0.02894  -0.02732 -0.06807 647 THR A CA  
257  C C   . THR A 70  ? 0.50633 0.64539 0.39792 0.03396  -0.00428 -0.06421 647 THR A C   
258  O O   . THR A 70  ? 0.45726 0.58953 0.33616 0.04005  0.00041  -0.08155 647 THR A O   
259  C CB  . THR A 70  ? 0.49969 0.63067 0.44650 0.01728  -0.02839 -0.06722 647 THR A CB  
260  O OG1 . THR A 70  ? 0.47258 0.58820 0.42784 0.01442  -0.02340 -0.08167 647 THR A OG1 
261  C CG2 . THR A 70  ? 0.48960 0.62596 0.45666 0.01145  -0.05031 -0.07123 647 THR A CG2 
262  N N   . THR A 71  ? 0.48801 0.63421 0.39214 0.03136  0.00854  -0.04157 648 THR A N   
263  C CA  . THR A 71  ? 0.47734 0.62376 0.39388 0.03053  0.02735  -0.03466 648 THR A CA  
264  C C   . THR A 71  ? 0.40946 0.54521 0.36294 0.02022  0.02737  -0.02964 648 THR A C   
265  O O   . THR A 71  ? 0.43957 0.57597 0.40671 0.01634  0.02401  -0.01661 648 THR A O   
266  C CB  . THR A 71  ? 0.43785 0.60101 0.34205 0.03359  0.04030  -0.01193 648 THR A CB  
267  O OG1 . THR A 71  ? 0.44900 0.62630 0.31201 0.04479  0.04260  -0.01600 648 THR A OG1 
268  C CG2 . THR A 71  ? 0.41461 0.58099 0.34011 0.03060  0.05674  -0.00419 648 THR A CG2 
269  N N   . LEU A 72  ? 0.40344 0.52892 0.37148 0.01723  0.03071  -0.03997 649 LEU A N   
270  C CA  . LEU A 72  ? 0.36659 0.48438 0.36158 0.00871  0.03237  -0.03537 649 LEU A CA  
271  C C   . LEU A 72  ? 0.38450 0.50486 0.38698 0.00751  0.04378  -0.02464 649 LEU A C   
272  O O   . LEU A 72  ? 0.42775 0.55006 0.42864 0.01083  0.05028  -0.02774 649 LEU A O   
273  C CB  . LEU A 72  ? 0.36733 0.47328 0.37380 0.00440  0.02814  -0.04758 649 LEU A CB  
274  C CG  . LEU A 72  ? 0.39776 0.49923 0.42467 -0.00331 0.03208  -0.04196 649 LEU A CG  
275  C CD1 . LEU A 72  ? 0.36388 0.47174 0.40210 -0.00547 0.03016  -0.03591 649 LEU A CD1 
276  C CD2 . LEU A 72  ? 0.37868 0.46983 0.41656 -0.00895 0.02907  -0.04812 649 LEU A CD2 
277  N N   . ILE A 73  ? 0.40012 0.52012 0.41432 0.00326  0.04447  -0.01288 650 ILE A N   
278  C CA  . ILE A 73  ? 0.39795 0.51730 0.42507 -0.00098 0.05046  -0.00441 650 ILE A CA  
279  C C   . ILE A 73  ? 0.40526 0.51308 0.44444 -0.00606 0.04786  -0.01121 650 ILE A C   
280  O O   . ILE A 73  ? 0.41553 0.51822 0.45961 -0.00673 0.04425  -0.01423 650 ILE A O   
281  C CB  . ILE A 73  ? 0.42660 0.54807 0.45994 -0.00317 0.05077  0.01228  650 ILE A CB  
282  C CG1 . ILE A 73  ? 0.39955 0.53658 0.41524 0.00199  0.05550  0.02352  650 ILE A CG1 
283  C CG2 . ILE A 73  ? 0.36616 0.48496 0.41827 -0.01013 0.05320  0.01901  650 ILE A CG2 
284  C CD1 . ILE A 73  ? 0.35230 0.48999 0.37505 -0.00138 0.05486  0.04614  650 ILE A CD1 
285  N N   . VAL A 74  ? 0.40012 0.50653 0.44370 -0.00842 0.04993  -0.01300 651 VAL A N   
286  C CA  . VAL A 74  ? 0.37060 0.46794 0.41787 -0.01264 0.04750  -0.01797 651 VAL A CA  
287  C C   . VAL A 74  ? 0.42760 0.52190 0.48393 -0.01716 0.04485  -0.01384 651 VAL A C   
288  O O   . VAL A 74  ? 0.39800 0.50030 0.46318 -0.01879 0.04541  -0.00667 651 VAL A O   
289  C CB  . VAL A 74  ? 0.44615 0.54147 0.48975 -0.01237 0.04743  -0.02207 651 VAL A CB  
290  C CG1 . VAL A 74  ? 0.39569 0.48447 0.43613 -0.01647 0.04609  -0.02426 651 VAL A CG1 
291  C CG2 . VAL A 74  ? 0.45736 0.55171 0.49655 -0.00928 0.04700  -0.02743 651 VAL A CG2 
292  N N   . GLY A 75  ? 0.37676 0.46063 0.43351 -0.01880 0.04168  -0.01937 652 GLY A N   
293  C CA  . GLY A 75  ? 0.37966 0.45485 0.44351 -0.02357 0.03506  -0.02081 652 GLY A CA  
294  C C   . GLY A 75  ? 0.42083 0.49249 0.47177 -0.02479 0.03163  -0.02981 652 GLY A C   
295  O O   . GLY A 75  ? 0.40728 0.47814 0.44454 -0.02152 0.03622  -0.03620 652 GLY A O   
296  N N   . VAL A 76  ? 0.38969 0.46248 0.44621 -0.02988 0.02335  -0.02797 653 VAL A N   
297  C CA  . VAL A 76  ? 0.41196 0.48212 0.45281 -0.03112 0.01617  -0.03450 653 VAL A CA  
298  C C   . VAL A 76  ? 0.43169 0.48838 0.47194 -0.03527 0.00365  -0.04540 653 VAL A C   
299  O O   . VAL A 76  ? 0.43985 0.49501 0.50330 -0.04220 -0.00560 -0.04145 653 VAL A O   
300  C CB  . VAL A 76  ? 0.38901 0.47146 0.43719 -0.03224 0.01201  -0.02525 653 VAL A CB  
301  C CG1 . VAL A 76  ? 0.39361 0.47347 0.41911 -0.03166 0.00550  -0.02807 653 VAL A CG1 
302  C CG2 . VAL A 76  ? 0.39767 0.48889 0.45154 -0.02695 0.02298  -0.01799 653 VAL A CG2 
303  N N   . THR A 77  ? 0.42109 0.46863 0.43566 -0.03122 0.00327  -0.05946 654 THR A N   
304  C CA  . THR A 77  ? 0.47971 0.50970 0.48847 -0.03244 -0.00934 -0.07628 654 THR A CA  
305  C C   . THR A 77  ? 0.48420 0.51480 0.48940 -0.03979 -0.02855 -0.07841 654 THR A C   
306  O O   . THR A 77  ? 0.44797 0.49232 0.44254 -0.04019 -0.03029 -0.06960 654 THR A O   
307  C CB  . THR A 77  ? 0.54709 0.57085 0.52538 -0.02243 -0.00096 -0.09331 654 THR A CB  
308  O OG1 . THR A 77  ? 0.52572 0.56345 0.47530 -0.02041 0.00532  -0.08881 654 THR A OG1 
309  C CG2 . THR A 77  ? 0.52823 0.55357 0.51939 -0.01502 0.01475  -0.09164 654 THR A CG2 
310  N N   . SER A 78  ? 0.51373 0.52762 0.53030 -0.04566 -0.04559 -0.09030 655 SER A N   
311  C CA  . SER A 78  ? 0.52758 0.54181 0.54733 -0.05458 -0.06904 -0.09406 655 SER A CA  
312  C C   . SER A 78  ? 0.53990 0.55245 0.51088 -0.04865 -0.07640 -0.10902 655 SER A C   
313  O O   . SER A 78  ? 0.58386 0.58972 0.51988 -0.03815 -0.06410 -0.12213 655 SER A O   
314  C CB  . SER A 78  ? 0.57799 0.57034 0.62500 -0.06406 -0.08782 -0.10492 655 SER A CB  
315  O OG  . SER A 78  ? 0.59827 0.56357 0.61606 -0.05696 -0.09424 -0.13330 655 SER A OG  
316  N N   . ASP A 79  ? 0.57985 0.60184 0.54931 -0.05500 -0.09671 -0.10550 656 ASP A N   
317  C CA  . ASP A 79  ? 0.62018 0.64101 0.53850 -0.05009 -0.10802 -0.11793 656 ASP A CA  
318  C C   . ASP A 79  ? 0.69764 0.69276 0.58624 -0.04630 -0.11817 -0.15041 656 ASP A C   
319  O O   . ASP A 79  ? 0.72859 0.72071 0.56861 -0.03434 -0.10597 -0.16391 656 ASP A O   
320  C CB  . ASP A 79  ? 0.59911 0.63456 0.52688 -0.05782 -0.13357 -0.10783 656 ASP A CB  
321  C CG  . ASP A 79  ? 0.65953 0.71914 0.60574 -0.05570 -0.12231 -0.07884 656 ASP A CG  
322  O OD1 . ASP A 79  ? 0.63523 0.69838 0.55569 -0.04713 -0.10166 -0.06995 656 ASP A OD1 
323  O OD2 . ASP A 79  ? 0.66423 0.73968 0.65347 -0.06225 -0.13451 -0.06519 656 ASP A OD2 
324  N N   . ASN A 80  ? 0.63899 0.61527 0.55891 -0.05592 -0.13930 -0.16337 657 ASN A N   
325  C CA  . ASN A 80  ? 0.69630 0.64203 0.59053 -0.05195 -0.15428 -0.19867 657 ASN A CA  
326  C C   . ASN A 80  ? 0.76248 0.69504 0.63689 -0.03590 -0.12810 -0.21303 657 ASN A C   
327  O O   . ASN A 80  ? 0.79669 0.71823 0.62176 -0.02291 -0.12697 -0.24050 657 ASN A O   
328  C CB  . ASN A 80  ? 0.66009 0.58457 0.60520 -0.06764 -0.18093 -0.20556 657 ASN A CB  
329  C CG  . ASN A 80  ? 0.85877 0.79167 0.81204 -0.08149 -0.21580 -0.20600 657 ASN A CG  
330  O OD1 . ASN A 80  ? 0.90896 0.86154 0.82416 -0.07729 -0.22139 -0.20233 657 ASN A OD1 
331  N ND2 . ASN A 80  ? 0.83589 0.75427 0.84095 -0.09866 -0.24127 -0.20901 657 ASN A ND2 
332  N N   . GLU A 81  ? 0.69418 0.62968 0.60670 -0.03536 -0.10736 -0.19555 658 GLU A N   
333  C CA  . GLU A 81  ? 0.74006 0.66404 0.64394 -0.01999 -0.08627 -0.20886 658 GLU A CA  
334  C C   . GLU A 81  ? 0.76101 0.70926 0.62263 -0.00641 -0.06002 -0.20568 658 GLU A C   
335  O O   . GLU A 81  ? 0.78035 0.72316 0.61334 0.00924  -0.04749 -0.22746 658 GLU A O   
336  C CB  . GLU A 81  ? 0.69627 0.61737 0.65202 -0.02365 -0.07559 -0.18930 658 GLU A CB  
337  C CG  . GLU A 81  ? 0.73659 0.62386 0.72958 -0.03138 -0.09630 -0.19934 658 GLU A CG  
338  C CD  . GLU A 81  ? 0.71736 0.60648 0.76086 -0.03871 -0.08846 -0.17128 658 GLU A CD  
339  O OE1 . GLU A 81  ? 0.67299 0.59125 0.72904 -0.04534 -0.07767 -0.14331 658 GLU A OE1 
340  O OE2 . GLU A 81  ? 0.75507 0.61529 0.82429 -0.03688 -0.09379 -0.17734 658 GLU A OE2 
341  N N   . THR A 82  ? 0.72655 0.70208 0.58761 -0.01181 -0.05069 -0.17814 659 THR A N   
342  C CA  . THR A 82  ? 0.70465 0.70259 0.52812 -0.00282 -0.02895 -0.17102 659 THR A CA  
343  C C   . THR A 82  ? 0.86637 0.86227 0.63037 0.00536  -0.03524 -0.19317 659 THR A C   
344  O O   . THR A 82  ? 0.87168 0.87415 0.60415 0.01949  -0.01517 -0.20614 659 THR A O   
345  C CB  . THR A 82  ? 0.70376 0.72330 0.53768 -0.01168 -0.02609 -0.13938 659 THR A CB  
346  O OG1 . THR A 82  ? 0.65773 0.68088 0.53826 -0.01594 -0.01667 -0.12246 659 THR A OG1 
347  C CG2 . THR A 82  ? 0.72810 0.76778 0.52558 -0.00558 -0.00690 -0.12827 659 THR A CG2 
348  N N   . LYS A 83  ? 0.81877 0.80886 0.56636 -0.00270 -0.06314 -0.19756 660 LYS A N   
349  C CA  . LYS A 83  ? 0.87558 0.86259 0.55986 0.00507  -0.07398 -0.22056 660 LYS A CA  
350  C C   . LYS A 83  ? 0.94047 0.90554 0.60457 0.01982  -0.06975 -0.25956 660 LYS A C   
351  O O   . LYS A 83  ? 0.97661 0.95008 0.58533 0.03512  -0.05499 -0.27603 660 LYS A O   
352  C CB  . LYS A 83  ? 0.88522 0.86421 0.56636 -0.00708 -0.11271 -0.22440 660 LYS A CB  
353  C CG  . LYS A 83  ? 0.92537 0.92682 0.62397 -0.01828 -0.12077 -0.18881 660 LYS A CG  
354  C CD  . LYS A 83  ? 0.97987 0.97668 0.67857 -0.02891 -0.16214 -0.19540 660 LYS A CD  
355  C CE  . LYS A 83  ? 0.95428 0.97257 0.69439 -0.03938 -0.17106 -0.16057 660 LYS A CE  
356  N NZ  . LYS A 83  ? 0.86677 0.90263 0.61272 -0.03429 -0.13911 -0.13112 660 LYS A NZ  
357  N N   . LEU A 84  ? 0.90706 0.84385 0.61621 0.01636  -0.08219 -0.27420 661 LEU A N   
358  C CA  . LEU A 84  ? 0.94793 0.85534 0.64226 0.03085  -0.08540 -0.31506 661 LEU A CA  
359  C C   . LEU A 84  ? 0.97217 0.89150 0.66224 0.05071  -0.04852 -0.31944 661 LEU A C   
360  O O   . LEU A 84  ? 0.98173 0.89344 0.63198 0.07019  -0.04056 -0.35289 661 LEU A O   
361  C CB  . LEU A 84  ? 0.93408 0.80538 0.68548 0.01964  -0.11036 -0.32377 661 LEU A CB  
362  C CG  . LEU A 84  ? 1.02616 0.85864 0.78072 0.03440  -0.11461 -0.36290 661 LEU A CG  
363  C CD1 . LEU A 84  ? 1.04570 0.86502 0.73596 0.04589  -0.12586 -0.39997 661 LEU A CD1 
364  C CD2 . LEU A 84  ? 1.03793 0.83496 0.85633 0.01815  -0.14118 -0.36132 661 LEU A CD2 
365  N N   . PHE A 85  ? 0.93671 0.87674 0.66751 0.04710  -0.02634 -0.28755 662 PHE A N   
366  C CA  . PHE A 85  ? 0.95843 0.91267 0.70095 0.06352  0.00551  -0.28799 662 PHE A CA  
367  C C   . PHE A 85  ? 0.94092 0.93783 0.65879 0.06699  0.03521  -0.26540 662 PHE A C   
368  O O   . PHE A 85  ? 0.97831 0.99249 0.67734 0.08477  0.06075  -0.27737 662 PHE A O   
369  C CB  . PHE A 85  ? 0.85885 0.80480 0.66808 0.05734  0.00671  -0.26957 662 PHE A CB  
370  C CG  . PHE A 85  ? 0.90202 0.80563 0.74267 0.05422  -0.01877 -0.28723 662 PHE A CG  
371  C CD1 . PHE A 85  ? 0.96047 0.83355 0.78250 0.06955  -0.02788 -0.32774 662 PHE A CD1 
372  C CD2 . PHE A 85  ? 0.88724 0.78090 0.77603 0.03604  -0.03363 -0.26338 662 PHE A CD2 
373  C CE1 . PHE A 85  ? 0.97599 0.80479 0.83172 0.06490  -0.05401 -0.34305 662 PHE A CE1 
374  C CE2 . PHE A 85  ? 0.89825 0.75316 0.82010 0.03051  -0.05698 -0.27481 662 PHE A CE2 
375  C CZ  . PHE A 85  ? 0.94686 0.76701 0.85445 0.04394  -0.06859 -0.31413 662 PHE A CZ  
376  N N   . LYS A 86  ? 0.94431 0.95909 0.66597 0.05076  0.03299  -0.23227 663 LYS A N   
377  C CA  . LYS A 86  ? 0.91691 0.96802 0.62078 0.05059  0.05821  -0.20646 663 LYS A CA  
378  C C   . LYS A 86  ? 0.93878 0.99975 0.57761 0.05141  0.05367  -0.20787 663 LYS A C   
379  O O   . LYS A 86  ? 0.95709 1.03759 0.55252 0.06472  0.07500  -0.21620 663 LYS A O   
380  C CB  . LYS A 86  ? 0.89947 0.95995 0.64588 0.03427  0.05750  -0.17060 663 LYS A CB  
381  C CG  . LYS A 86  ? 0.92573 1.01789 0.66922 0.03177  0.08168  -0.14256 663 LYS A CG  
382  C CD  . LYS A 86  ? 0.91496 1.02127 0.70069 0.03658  0.10315  -0.13759 663 LYS A CD  
383  C CE  . LYS A 86  ? 0.85783 0.94289 0.69060 0.03420  0.08955  -0.14285 663 LYS A CE  
384  N NZ  . LYS A 86  ? 0.91569 1.01555 0.78706 0.04103  0.10732  -0.13958 663 LYS A NZ  
385  N N   . GLY A 87  ? 1.00548 1.05652 0.63740 0.03804  0.02659  -0.19798 664 GLY A N   
386  C CA  . GLY A 87  ? 1.05455 1.11430 0.62483 0.03817  0.01679  -0.19611 664 GLY A CA  
387  C C   . GLY A 87  ? 1.04500 1.10594 0.63030 0.02162  -0.00526 -0.16685 664 GLY A C   
388  O O   . GLY A 87  ? 0.99663 1.04532 0.63445 0.01108  -0.02021 -0.16012 664 GLY A O   
389  N N   . GLN A 88  ? 1.10476 1.18258 0.64333 0.02102  -0.00542 -0.14840 665 GLN A N   
390  C CA  . GLN A 88  ? 1.11886 1.19744 0.66242 0.00925  -0.03047 -0.12368 665 GLN A CA  
391  C C   . GLN A 88  ? 1.02301 1.10556 0.62953 -0.00075 -0.02315 -0.09292 665 GLN A C   
392  O O   . GLN A 88  ? 1.05061 1.14620 0.66961 -0.00031 0.00394  -0.07403 665 GLN A O   
393  C CB  . GLN A 88  ? 1.20847 1.30513 0.68591 0.01268  -0.02846 -0.10587 665 GLN A CB  
394  C CG  . GLN A 88  ? 1.35114 1.47081 0.82768 0.01306  0.00702  -0.07354 665 GLN A CG  
395  C CD  . GLN A 88  ? 1.40942 1.54427 0.86145 0.02572  0.04188  -0.09009 665 GLN A CD  
396  O OE1 . GLN A 88  ? 1.38964 1.51578 0.81666 0.03752  0.04030  -0.12865 665 GLN A OE1 
397  N NE2 . GLN A 88  ? 1.39981 1.55754 0.86480 0.02351  0.07311  -0.06118 665 GLN A NE2 
398  N N   . VAL A 89  ? 0.93764 1.01037 0.58511 -0.00960 -0.04761 -0.08886 666 VAL A N   
399  C CA  . VAL A 89  ? 0.82639 0.90289 0.52791 -0.01674 -0.04363 -0.06258 666 VAL A CA  
400  C C   . VAL A 89  ? 0.76660 0.84949 0.46194 -0.02055 -0.06382 -0.03845 666 VAL A C   
401  O O   . VAL A 89  ? 0.78831 0.86991 0.46031 -0.02131 -0.09092 -0.04612 666 VAL A O   
402  C CB  . VAL A 89  ? 0.75857 0.82441 0.51704 -0.02175 -0.05079 -0.07309 666 VAL A CB  
403  C CG1 . VAL A 89  ? 0.80150 0.86508 0.57793 -0.02856 -0.08244 -0.07373 666 VAL A CG1 
404  C CG2 . VAL A 89  ? 0.68926 0.76019 0.49213 -0.02400 -0.03317 -0.05368 666 VAL A CG2 
405  N N   . VAL A 90  ? 0.73220 0.82073 0.44923 -0.02237 -0.05280 -0.00984 667 VAL A N   
406  C CA  . VAL A 90  ? 0.76815 0.86062 0.48307 -0.02360 -0.07086 0.01613  667 VAL A CA  
407  C C   . VAL A 90  ? 0.67581 0.76711 0.44771 -0.02613 -0.08852 0.01927  667 VAL A C   
408  O O   . VAL A 90  ? 0.67204 0.76803 0.44618 -0.02637 -0.11544 0.02516  667 VAL A O   
409  C CB  . VAL A 90  ? 0.78931 0.88465 0.49997 -0.02389 -0.05163 0.04671  667 VAL A CB  
410  C CG1 . VAL A 90  ? 0.75702 0.85224 0.46701 -0.02359 -0.07229 0.07545  667 VAL A CG1 
411  C CG2 . VAL A 90  ? 0.85482 0.95898 0.51384 -0.02184 -0.02965 0.04649  667 VAL A CG2 
412  N N   . GLN A 91  ? 0.62703 0.71544 0.44546 -0.02718 -0.07333 0.01650  668 GLN A N   
413  C CA  . GLN A 91  ? 0.52679 0.61876 0.39970 -0.02779 -0.08298 0.01954  668 GLN A CA  
414  C C   . GLN A 91  ? 0.55977 0.65193 0.45425 -0.03232 -0.08893 -0.00279 668 GLN A C   
415  O O   . GLN A 91  ? 0.55660 0.64065 0.43679 -0.03347 -0.07761 -0.02044 668 GLN A O   
416  C CB  . GLN A 91  ? 0.56876 0.65758 0.47529 -0.02532 -0.06282 0.02992  668 GLN A CB  
417  C CG  . GLN A 91  ? 0.55983 0.64317 0.45736 -0.02257 -0.05838 0.05376  668 GLN A CG  
418  C CD  . GLN A 91  ? 0.55715 0.63336 0.49002 -0.02047 -0.04291 0.05797  668 GLN A CD  
419  O OE1 . GLN A 91  ? 0.51724 0.58984 0.44874 -0.02328 -0.02439 0.05080  668 GLN A OE1 
420  N NE2 . GLN A 91  ? 0.55156 0.62660 0.51840 -0.01419 -0.05175 0.06721  668 GLN A NE2 
421  N N   . THR A 92  ? 0.50089 0.60316 0.43534 -0.03472 -0.10650 -0.00004 669 THR A N   
422  C CA  . THR A 92  ? 0.46127 0.56512 0.42688 -0.04176 -0.11286 -0.01509 669 THR A CA  
423  C C   . THR A 92  ? 0.47053 0.57259 0.46510 -0.04119 -0.08795 -0.01583 669 THR A C   
424  O O   . THR A 92  ? 0.42500 0.52723 0.42273 -0.03518 -0.06966 -0.00578 669 THR A O   
425  C CB  . THR A 92  ? 0.45227 0.57471 0.46169 -0.04540 -0.13604 -0.00703 669 THR A CB  
426  O OG1 . THR A 92  ? 0.42208 0.55803 0.46782 -0.03800 -0.12469 0.01107  669 THR A OG1 
427  C CG2 . THR A 92  ? 0.49808 0.62414 0.47911 -0.04583 -0.16637 -0.00525 669 THR A CG2 
428  N N   . LEU A 93  ? 0.44435 0.54344 0.46092 -0.04809 -0.08979 -0.02725 670 LEU A N   
429  C CA  . LEU A 93  ? 0.45772 0.55837 0.50317 -0.04794 -0.06968 -0.02430 670 LEU A CA  
430  C C   . LEU A 93  ? 0.37833 0.49769 0.45591 -0.04235 -0.06058 -0.00749 670 LEU A C   
431  O O   . LEU A 93  ? 0.43338 0.55095 0.50952 -0.03610 -0.04122 -0.00405 670 LEU A O   
432  C CB  . LEU A 93  ? 0.49298 0.59005 0.56656 -0.05800 -0.07771 -0.03187 670 LEU A CB  
433  C CG  . LEU A 93  ? 0.43852 0.53799 0.53847 -0.05832 -0.05799 -0.02520 670 LEU A CG  
434  C CD1 . LEU A 93  ? 0.40318 0.48913 0.47278 -0.05036 -0.03929 -0.03090 670 LEU A CD1 
435  C CD2 . LEU A 93  ? 0.40121 0.49378 0.53057 -0.06984 -0.06661 -0.02794 670 LEU A CD2 
436  N N   . GLU A 94  ? 0.40733 0.54522 0.51443 -0.04315 -0.07553 0.00145  671 GLU A N   
437  C CA  . GLU A 94  ? 0.39082 0.54894 0.53356 -0.03487 -0.06557 0.01450  671 GLU A CA  
438  C C   . GLU A 94  ? 0.40984 0.55920 0.53247 -0.02301 -0.05774 0.02008  671 GLU A C   
439  O O   . GLU A 94  ? 0.37593 0.52853 0.51210 -0.01427 -0.04118 0.02285  671 GLU A O   
440  C CB  . GLU A 94  ? 0.44554 0.62983 0.63102 -0.03718 -0.08437 0.02326  671 GLU A CB  
441  C CG  . GLU A 94  ? 0.43847 0.64165 0.65174 -0.02295 -0.07954 0.03548  671 GLU A CG  
442  C CD  . GLU A 94  ? 0.63348 0.86333 0.88661 -0.02361 -0.10335 0.04487  671 GLU A CD  
443  O OE1 . GLU A 94  ? 0.66498 0.91326 0.95226 -0.03592 -0.11334 0.04524  671 GLU A OE1 
444  O OE2 . GLU A 94  ? 0.65501 0.88665 0.90780 -0.01273 -0.11443 0.05317  671 GLU A OE2 
445  N N   . GLU A 95  ? 0.43996 0.57771 0.53032 -0.02262 -0.07052 0.02242  672 GLU A N   
446  C CA  . GLU A 95  ? 0.44069 0.56649 0.51450 -0.01407 -0.06381 0.03147  672 GLU A CA  
447  C C   . GLU A 95  ? 0.42271 0.53279 0.47680 -0.01455 -0.04223 0.02499  672 GLU A C   
448  O O   . GLU A 95  ? 0.44064 0.54470 0.50427 -0.00773 -0.03133 0.02850  672 GLU A O   
449  C CB  . GLU A 95  ? 0.42449 0.54293 0.46395 -0.01516 -0.08103 0.03985  672 GLU A CB  
450  C CG  . GLU A 95  ? 0.43411 0.56790 0.49285 -0.01260 -0.10664 0.04987  672 GLU A CG  
451  C CD  . GLU A 95  ? 0.49182 0.61931 0.50382 -0.01580 -0.12647 0.05540  672 GLU A CD  
452  O OE1 . GLU A 95  ? 0.55956 0.67586 0.52724 -0.02169 -0.12029 0.04472  672 GLU A OE1 
453  O OE2 . GLU A 95  ? 0.52496 0.66039 0.54329 -0.01110 -0.14825 0.07021  672 GLU A OE2 
454  N N   . ARG A 96  ? 0.47096 0.57396 0.50015 -0.02176 -0.03751 0.01410  673 ARG A N   
455  C CA  . ARG A 96  ? 0.43324 0.52595 0.44979 -0.02192 -0.01870 0.00878  673 ARG A CA  
456  C C   . ARG A 96  ? 0.44123 0.53910 0.48553 -0.01862 -0.00680 0.00552  673 ARG A C   
457  O O   . ARG A 96  ? 0.43202 0.52308 0.47518 -0.01547 0.00473  0.00496  673 ARG A O   
458  C CB  . ARG A 96  ? 0.44621 0.53315 0.43692 -0.02718 -0.01607 -0.00365 673 ARG A CB  
459  C CG  . ARG A 96  ? 0.49651 0.57995 0.44866 -0.02842 -0.02447 -0.00317 673 ARG A CG  
460  C CD  . ARG A 96  ? 0.50512 0.58293 0.43146 -0.02977 -0.01967 -0.02047 673 ARG A CD  
461  N NE  . ARG A 96  ? 0.48798 0.56272 0.41956 -0.03329 -0.03562 -0.03485 673 ARG A NE  
462  C CZ  . ARG A 96  ? 0.53180 0.59890 0.47608 -0.03480 -0.03208 -0.04871 673 ARG A CZ  
463  N NH1 . ARG A 96  ? 0.47793 0.54284 0.43043 -0.03179 -0.01365 -0.04977 673 ARG A NH1 
464  N NH2 . ARG A 96  ? 0.50862 0.56885 0.45954 -0.03985 -0.04981 -0.06111 673 ARG A NH2 
465  N N   . THR A 97  ? 0.39847 0.50968 0.46757 -0.01999 -0.01012 0.00411  674 THR A N   
466  C CA  . THR A 97  ? 0.39608 0.51644 0.48616 -0.01657 0.00288  0.00326  674 THR A CA  
467  C C   . THR A 97  ? 0.37962 0.50675 0.48619 -0.00513 0.00786  0.00746  674 THR A C   
468  O O   . THR A 97  ? 0.38978 0.51527 0.49561 0.00091  0.02028  0.00299  674 THR A O   
469  C CB  . THR A 97  ? 0.34569 0.48112 0.46071 -0.02296 -0.00096 0.00521  674 THR A CB  
470  O OG1 . THR A 97  ? 0.35253 0.47486 0.45314 -0.03206 -0.00664 -0.00213 674 THR A OG1 
471  C CG2 . THR A 97  ? 0.32484 0.47431 0.45795 -0.01910 0.01475  0.00873  674 THR A CG2 
472  N N   . GLU A 98  ? 0.36106 0.49486 0.48214 -0.00059 -0.00326 0.01457  675 GLU A N   
473  C CA  . GLU A 98  ? 0.42717 0.56584 0.56849 0.01352  0.00110  0.01649  675 GLU A CA  
474  C C   . GLU A 98  ? 0.40338 0.51640 0.52572 0.01805  0.00473  0.01328  675 GLU A C   
475  O O   . GLU A 98  ? 0.41124 0.52056 0.54167 0.02880  0.01334  0.00631  675 GLU A O   
476  C CB  . GLU A 98  ? 0.39000 0.54158 0.55602 0.01873  -0.01428 0.02652  675 GLU A CB  
477  C CG  . GLU A 98  ? 0.48803 0.66327 0.69324 0.03324  -0.00680 0.02717  675 GLU A CG  
478  C CD  . GLU A 98  ? 0.51616 0.70545 0.75177 0.04074  -0.02355 0.03800  675 GLU A CD  
479  O OE1 . GLU A 98  ? 0.56768 0.77048 0.81172 0.03028  -0.04006 0.04511  675 GLU A OE1 
480  O OE2 . GLU A 98  ? 0.58318 0.76826 0.83513 0.05775  -0.02249 0.03846  675 GLU A OE2 
481  N N   . THR A 99  ? 0.40919 0.50488 0.50698 0.00992  -0.00191 0.01812  676 THR A N   
482  C CA  . THR A 99  ? 0.42550 0.49837 0.51241 0.01079  0.00137  0.01845  676 THR A CA  
483  C C   . THR A 99  ? 0.41030 0.47971 0.49264 0.01015  0.01423  0.00527  676 THR A C   
484  O O   . THR A 99  ? 0.41341 0.46939 0.50162 0.01645  0.01646  -0.00088 676 THR A O   
485  C CB  . THR A 99  ? 0.43154 0.49330 0.49270 0.00056  -0.00357 0.02896  676 THR A CB  
486  O OG1 . THR A 99  ? 0.44476 0.51054 0.50419 0.00180  -0.01827 0.04184  676 THR A OG1 
487  C CG2 . THR A 99  ? 0.48913 0.52917 0.54905 -0.00074 -0.00108 0.03428  676 THR A CG2 
488  N N   . LEU A 100 ? 0.40759 0.48744 0.48018 0.00321  0.02033  0.00017  677 LEU A N   
489  C CA  . LEU A 100 ? 0.38198 0.45983 0.44818 0.00229  0.02958  -0.00967 677 LEU A CA  
490  C C   . LEU A 100 ? 0.38611 0.47057 0.46254 0.01363  0.03550  -0.01808 677 LEU A C   
491  O O   . LEU A 100 ? 0.39765 0.47418 0.46680 0.01608  0.03868  -0.02771 677 LEU A O   
492  C CB  . LEU A 100 ? 0.42890 0.51594 0.48698 -0.00509 0.03305  -0.01109 677 LEU A CB  
493  C CG  . LEU A 100 ? 0.37464 0.45384 0.41667 -0.01327 0.03163  -0.00904 677 LEU A CG  
494  C CD1 . LEU A 100 ? 0.42855 0.51377 0.46557 -0.01772 0.03092  -0.01195 677 LEU A CD1 
495  C CD2 . LEU A 100 ? 0.42061 0.49311 0.45943 -0.01531 0.03707  -0.01281 677 LEU A CD2 
496  N N   . LYS A 101 ? 0.40071 0.50237 0.49417 0.02116  0.03690  -0.01514 678 LYS A N   
497  C CA  . LYS A 101 ? 0.40758 0.52088 0.50957 0.03500  0.04617  -0.02321 678 LYS A CA  
498  C C   . LYS A 101 ? 0.40916 0.50119 0.51118 0.04631  0.04319  -0.03418 678 LYS A C   
499  O O   . LYS A 101 ? 0.40328 0.49772 0.50095 0.05845  0.05063  -0.04784 678 LYS A O   
500  C CB  . LYS A 101 ? 0.38305 0.52423 0.51181 0.04048  0.04896  -0.01491 678 LYS A CB  
501  C CG  . LYS A 101 ? 0.45969 0.61500 0.60568 0.05977  0.05799  -0.02169 678 LYS A CG  
502  C CD  . LYS A 101 ? 0.43042 0.61862 0.61278 0.06326  0.05920  -0.00976 678 LYS A CD  
503  C CE  . LYS A 101 ? 0.45110 0.63417 0.65794 0.07452  0.04754  -0.00730 678 LYS A CE  
504  N NZ  . LYS A 101 ? 0.50286 0.72003 0.74737 0.09307  0.05793  -0.00711 678 LYS A NZ  
505  N N   . HIS A 102 ? 0.39962 0.46909 0.50470 0.04259  0.03193  -0.02865 679 HIS A N   
506  C CA  . HIS A 102 ? 0.41625 0.45918 0.52660 0.05165  0.02641  -0.03793 679 HIS A CA  
507  C C   . HIS A 102 ? 0.40842 0.42923 0.50395 0.04197  0.02315  -0.04601 679 HIS A C   
508  O O   . HIS A 102 ? 0.42162 0.41531 0.52422 0.04574  0.01530  -0.05359 679 HIS A O   
509  C CB  . HIS A 102 ? 0.37638 0.40451 0.50266 0.05269  0.01444  -0.02352 679 HIS A CB  
510  C CG  . HIS A 102 ? 0.41158 0.46089 0.56044 0.06511  0.01371  -0.01739 679 HIS A CG  
511  N ND1 . HIS A 102 ? 0.41018 0.45704 0.58223 0.08594  0.01398  -0.02607 679 HIS A ND1 
512  C CD2 . HIS A 102 ? 0.36842 0.44395 0.52424 0.06029  0.01208  -0.00507 679 HIS A CD2 
513  C CE1 . HIS A 102 ? 0.41591 0.49068 0.61168 0.09340  0.01352  -0.01675 679 HIS A CE1 
514  N NE2 . HIS A 102 ? 0.41910 0.51118 0.60571 0.07672  0.01107  -0.00387 679 HIS A NE2 
515  N N   . ILE A 103 ? 0.40155 0.43253 0.48169 0.02981  0.02724  -0.04467 680 ILE A N   
516  C CA  . ILE A 103 ? 0.42717 0.44279 0.50117 0.01860  0.02253  -0.04841 680 ILE A CA  
517  C C   . ILE A 103 ? 0.44749 0.46528 0.50974 0.02492  0.02380  -0.06776 680 ILE A C   
518  O O   . ILE A 103 ? 0.43505 0.47480 0.48503 0.02916  0.03225  -0.06992 680 ILE A O   
519  C CB  . ILE A 103 ? 0.40918 0.43586 0.47637 0.00366  0.02551  -0.03557 680 ILE A CB  
520  C CG1 . ILE A 103 ? 0.41349 0.43756 0.48366 -0.00162 0.02315  -0.01780 680 ILE A CG1 
521  C CG2 . ILE A 103 ? 0.43066 0.44951 0.49938 -0.00713 0.02213  -0.03862 680 ILE A CG2 
522  C CD1 . ILE A 103 ? 0.39647 0.39590 0.47905 -0.00264 0.01459  -0.01014 680 ILE A CD1 
523  N N   . ARG A 104 ? 0.41779 0.41168 0.48354 0.02495  0.01372  -0.08085 681 ARG A N   
524  C CA  . ARG A 104 ? 0.43576 0.42721 0.48607 0.03292  0.01036  -0.10350 681 ARG A CA  
525  C C   . ARG A 104 ? 0.47316 0.48766 0.50567 0.02714  0.01417  -0.10212 681 ARG A C   
526  O O   . ARG A 104 ? 0.46984 0.49564 0.48068 0.03763  0.01721  -0.11459 681 ARG A O   
527  C CB  . ARG A 104 ? 0.47033 0.42920 0.53217 0.02701  -0.00647 -0.11584 681 ARG A CB  
528  C CG  . ARG A 104 ? 0.52870 0.47975 0.57164 0.03616  -0.01515 -0.14432 681 ARG A CG  
529  C CD  . ARG A 104 ? 0.55179 0.47225 0.61190 0.02352  -0.03597 -0.15435 681 ARG A CD  
530  N NE  . ARG A 104 ? 0.53861 0.42634 0.62762 0.02074  -0.04337 -0.14850 681 ARG A NE  
531  C CZ  . ARG A 104 ? 0.62373 0.48456 0.71627 0.03785  -0.04810 -0.16576 681 ARG A CZ  
532  N NH1 . ARG A 104 ? 0.62261 0.48898 0.68930 0.06043  -0.04314 -0.19192 681 ARG A NH1 
533  N NH2 . ARG A 104 ? 0.57168 0.39953 0.69479 0.03331  -0.05747 -0.15577 681 ARG A NH2 
534  N N   . TRP A 105 ? 0.36672 0.38870 0.40729 0.01199  0.01414  -0.08675 682 TRP A N   
535  C CA  . TRP A 105 ? 0.43221 0.47119 0.46264 0.00705  0.01388  -0.08579 682 TRP A CA  
536  C C   . TRP A 105 ? 0.44099 0.50264 0.45983 0.01164  0.02604  -0.07574 682 TRP A C   
537  O O   . TRP A 105 ? 0.40345 0.47774 0.41141 0.01131  0.02545  -0.07454 682 TRP A O   
538  C CB  . TRP A 105 ? 0.39184 0.43201 0.44077 -0.00865 0.01036  -0.07471 682 TRP A CB  
539  C CG  . TRP A 105 ? 0.43370 0.45263 0.50326 -0.01748 0.00144  -0.07495 682 TRP A CG  
540  C CD1 . TRP A 105 ? 0.39021 0.40312 0.47494 -0.02593 0.00546  -0.05879 682 TRP A CD1 
541  C CD2 . TRP A 105 ? 0.41958 0.41839 0.49666 -0.01931 -0.01442 -0.09107 682 TRP A CD2 
542  N NE1 . TRP A 105 ? 0.41591 0.40658 0.52064 -0.03404 -0.00557 -0.05986 682 TRP A NE1 
543  C CE2 . TRP A 105 ? 0.39372 0.37335 0.49661 -0.03057 -0.01901 -0.08113 682 TRP A CE2 
544  C CE3 . TRP A 105 ? 0.42188 0.41591 0.48433 -0.01254 -0.02661 -0.11322 682 TRP A CE3 
545  C CZ2 . TRP A 105 ? 0.41988 0.37288 0.54119 -0.03693 -0.03627 -0.09232 682 TRP A CZ2 
546  C CZ3 . TRP A 105 ? 0.45442 0.42194 0.53047 -0.01732 -0.04503 -0.12883 682 TRP A CZ3 
547  C CH2 . TRP A 105 ? 0.46318 0.40919 0.57189 -0.03033 -0.05021 -0.11817 682 TRP A CH2 
548  N N   . VAL A 106 ? 0.44714 0.51360 0.47149 0.01501  0.03478  -0.06699 683 VAL A N   
549  C CA  . VAL A 106 ? 0.42422 0.50988 0.44673 0.01496  0.04407  -0.05477 683 VAL A CA  
550  C C   . VAL A 106 ? 0.44018 0.54135 0.44935 0.02675  0.05204  -0.05822 683 VAL A C   
551  O O   . VAL A 106 ? 0.41401 0.51647 0.42449 0.03778  0.05649  -0.06536 683 VAL A O   
552  C CB  . VAL A 106 ? 0.41599 0.50199 0.45284 0.01183  0.04652  -0.04426 683 VAL A CB  
553  C CG1 . VAL A 106 ? 0.39552 0.49928 0.43578 0.01026  0.05297  -0.03336 683 VAL A CG1 
554  C CG2 . VAL A 106 ? 0.38673 0.46110 0.42904 0.00127  0.04138  -0.03944 683 VAL A CG2 
555  N N   . ASP A 107 ? 0.46708 0.58136 0.46377 0.02574  0.05467  -0.05202 684 ASP A N   
556  C CA  . ASP A 107 ? 0.42436 0.55794 0.40444 0.03614  0.06491  -0.05056 684 ASP A CA  
557  C C   . ASP A 107 ? 0.38106 0.53406 0.37635 0.03323  0.07650  -0.03133 684 ASP A C   
558  O O   . ASP A 107 ? 0.38116 0.55344 0.37768 0.04213  0.08893  -0.02880 684 ASP A O   
559  C CB  . ASP A 107 ? 0.39776 0.53583 0.35254 0.03712  0.05976  -0.05114 684 ASP A CB  
560  C CG  . ASP A 107 ? 0.47722 0.59894 0.41901 0.03952  0.04543  -0.07196 684 ASP A CG  
561  O OD1 . ASP A 107 ? 0.47189 0.58444 0.40872 0.04847  0.04508  -0.08951 684 ASP A OD1 
562  O OD2 . ASP A 107 ? 0.46571 0.58319 0.40654 0.03254  0.03303  -0.07131 684 ASP A OD2 
563  N N   . GLU A 108 ? 0.43600 0.58492 0.44599 0.02114  0.07246  -0.01865 685 GLU A N   
564  C CA  . GLU A 108 ? 0.43263 0.59539 0.46171 0.01523  0.07893  -0.00116 685 GLU A CA  
565  C C   . GLU A 108 ? 0.37715 0.52482 0.42432 0.00454  0.06974  0.00004  685 GLU A C   
566  O O   . GLU A 108 ? 0.39383 0.52465 0.43530 0.00165  0.06184  -0.00821 685 GLU A O   
567  C CB  . GLU A 108 ? 0.40088 0.57413 0.42189 0.01266  0.08292  0.01506  685 GLU A CB  
568  C CG  . GLU A 108 ? 0.48059 0.66978 0.47247 0.02434  0.09135  0.01341  685 GLU A CG  
569  C CD  . GLU A 108 ? 0.51230 0.71396 0.49449 0.02143  0.09561  0.03565  685 GLU A CD  
570  O OE1 . GLU A 108 ? 0.51855 0.71002 0.51964 0.01037  0.08914  0.04995  685 GLU A OE1 
571  O OE2 . GLU A 108 ? 0.62778 0.84882 0.58274 0.03098  0.10553  0.03930  685 GLU A OE2 
572  N N   . ILE A 109 ? 0.36640 0.52246 0.43576 -0.00125 0.07067  0.00988  686 ILE A N   
573  C CA  . ILE A 109 ? 0.34727 0.48938 0.42824 -0.01024 0.06022  0.00824  686 ILE A CA  
574  C C   . ILE A 109 ? 0.35786 0.50275 0.45844 -0.02029 0.05750  0.02092  686 ILE A C   
575  O O   . ILE A 109 ? 0.37316 0.53817 0.49225 -0.02223 0.06394  0.03413  686 ILE A O   
576  C CB  . ILE A 109 ? 0.37625 0.52017 0.46646 -0.00803 0.05637  0.00365  686 ILE A CB  
577  C CG1 . ILE A 109 ? 0.35807 0.48935 0.43192 -0.00096 0.05530  -0.00797 686 ILE A CG1 
578  C CG2 . ILE A 109 ? 0.35834 0.49329 0.45740 -0.01758 0.04456  0.00406  686 ILE A CG2 
579  C CD1 . ILE A 109 ? 0.43719 0.56510 0.51936 0.00105  0.04900  -0.00901 686 ILE A CD1 
580  N N   . ILE A 110 ? 0.36789 0.49298 0.46720 -0.02640 0.04842  0.01688  687 ILE A N   
581  C CA  . ILE A 110 ? 0.43247 0.55079 0.55302 -0.03684 0.04058  0.02399  687 ILE A CA  
582  C C   . ILE A 110 ? 0.40606 0.51363 0.52823 -0.04106 0.02834  0.01175  687 ILE A C   
583  O O   . ILE A 110 ? 0.39342 0.48500 0.49626 -0.03807 0.02451  -0.00195 687 ILE A O   
584  C CB  . ILE A 110 ? 0.42228 0.52267 0.54060 -0.03803 0.03756  0.02623  687 ILE A CB  
585  C CG1 . ILE A 110 ? 0.40239 0.51520 0.51311 -0.03319 0.04742  0.04059  687 ILE A CG1 
586  C CG2 . ILE A 110 ? 0.42796 0.51545 0.57224 -0.04931 0.02696  0.03209  687 ILE A CG2 
587  C CD1 . ILE A 110 ? 0.42608 0.52286 0.53774 -0.03303 0.04262  0.04704  687 ILE A CD1 
588  N N   . SER A 111 ? 0.35559 0.47511 0.50090 -0.04778 0.02208  0.01751  688 SER A N   
589  C CA  . SER A 111 ? 0.37829 0.49082 0.52167 -0.05124 0.00730  0.00670  688 SER A CA  
590  C C   . SER A 111 ? 0.37905 0.49598 0.55608 -0.06416 -0.00666 0.01275  688 SER A C   
591  O O   . SER A 111 ? 0.37445 0.51738 0.58249 -0.06757 -0.00247 0.02798  688 SER A O   
592  C CB  . SER A 111 ? 0.34334 0.46973 0.47930 -0.04330 0.00991  0.00595  688 SER A CB  
593  O OG  . SER A 111 ? 0.32820 0.44692 0.45399 -0.04541 -0.00519 -0.00241 688 SER A OG  
594  N N   . PRO A 112 ? 0.37597 0.46919 0.55051 -0.07144 -0.02354 0.00032  689 PRO A N   
595  C CA  . PRO A 112 ? 0.34521 0.41247 0.48491 -0.06467 -0.02422 -0.01797 689 PRO A CA  
596  C C   . PRO A 112 ? 0.44366 0.49834 0.58454 -0.06167 -0.01415 -0.01414 689 PRO A C   
597  O O   . PRO A 112 ? 0.43857 0.49946 0.60558 -0.06752 -0.01035 0.00331  689 PRO A O   
598  C CB  . PRO A 112 ? 0.40445 0.45192 0.54379 -0.07213 -0.04654 -0.03428 689 PRO A CB  
599  C CG  . PRO A 112 ? 0.40682 0.46104 0.59328 -0.08707 -0.05729 -0.02036 689 PRO A CG  
600  C CD  . PRO A 112 ? 0.37178 0.46245 0.57840 -0.08598 -0.04367 0.00105  689 PRO A CD  
601  N N   . CYS A 113 ? 0.42879 0.46837 0.54312 -0.05237 -0.00994 -0.02832 690 CYS A N   
602  C CA  . CYS A 113 ? 0.43640 0.46313 0.55292 -0.04723 -0.00389 -0.02691 690 CYS A CA  
603  C C   . CYS A 113 ? 0.48480 0.48212 0.59953 -0.04543 -0.01514 -0.04589 690 CYS A C   
604  O O   . CYS A 113 ? 0.48714 0.47628 0.58413 -0.04460 -0.02362 -0.06480 690 CYS A O   
605  C CB  . CYS A 113 ? 0.45887 0.49563 0.55357 -0.03607 0.01036  -0.02870 690 CYS A CB  
606  S SG  . CYS A 113 ? 0.40978 0.44064 0.47369 -0.02798 0.01208  -0.05106 690 CYS A SG  
607  N N   . PRO A 114 ? 0.52246 0.50233 0.65302 -0.04299 -0.01610 -0.04230 691 PRO A N   
608  C CA  . PRO A 114 ? 0.51700 0.46537 0.64733 -0.03740 -0.02640 -0.06409 691 PRO A CA  
609  C C   . PRO A 114 ? 0.56662 0.51860 0.66438 -0.02257 -0.01689 -0.08595 691 PRO A C   
610  O O   . PRO A 114 ? 0.57105 0.54652 0.65446 -0.01718 -0.00222 -0.07967 691 PRO A O   
611  C CB  . PRO A 114 ? 0.51457 0.44761 0.67061 -0.03490 -0.02666 -0.04984 691 PRO A CB  
612  C CG  . PRO A 114 ? 0.55044 0.50638 0.72120 -0.04483 -0.02021 -0.01813 691 PRO A CG  
613  C CD  . PRO A 114 ? 0.45812 0.44539 0.60511 -0.04321 -0.00850 -0.01850 691 PRO A CD  
614  N N   . TRP A 115 ? 0.59430 0.52333 0.68064 -0.01630 -0.02544 -0.11240 692 TRP A N   
615  C CA  . TRP A 115 ? 0.63934 0.57617 0.69385 -0.00126 -0.01308 -0.13242 692 TRP A CA  
616  C C   . TRP A 115 ? 0.62615 0.56464 0.69309 0.01359  -0.00016 -0.13226 692 TRP A C   
617  O O   . TRP A 115 ? 0.63288 0.59620 0.68709 0.02158  0.01664  -0.13104 692 TRP A O   
618  C CB  . TRP A 115 ? 0.70104 0.61554 0.73232 0.00343  -0.02511 -0.16388 692 TRP A CB  
619  C CG  . TRP A 115 ? 0.72402 0.65371 0.71666 0.01854  -0.00895 -0.18173 692 TRP A CG  
620  C CD1 . TRP A 115 ? 0.73675 0.65902 0.72175 0.03767  0.00109  -0.20417 692 TRP A CD1 
621  C CD2 . TRP A 115 ? 0.71008 0.66773 0.66904 0.01643  0.00102  -0.17578 692 TRP A CD2 
622  N NE1 . TRP A 115 ? 0.74484 0.69306 0.69257 0.04665  0.01904  -0.21152 692 TRP A NE1 
623  C CE2 . TRP A 115 ? 0.74447 0.71267 0.67501 0.03287  0.01837  -0.19295 692 TRP A CE2 
624  C CE3 . TRP A 115 ? 0.66557 0.64083 0.61844 0.00326  -0.00244 -0.15610 692 TRP A CE3 
625  C CZ2 . TRP A 115 ? 0.77469 0.77002 0.66967 0.03386  0.03219  -0.18751 692 TRP A CZ2 
626  C CZ3 . TRP A 115 ? 0.70262 0.70000 0.62133 0.00551  0.00857  -0.15239 692 TRP A CZ3 
627  C CH2 . TRP A 115 ? 0.72937 0.73638 0.61875 0.01939  0.02565  -0.16630 692 TRP A CH2 
628  N N   . VAL A 116 ? 0.62939 0.54271 0.72573 0.01670  -0.00905 -0.13090 693 VAL A N   
629  C CA  . VAL A 116 ? 0.63016 0.54478 0.74499 0.03171  -0.00069 -0.12800 693 VAL A CA  
630  C C   . VAL A 116 ? 0.55276 0.47310 0.69286 0.02333  -0.00349 -0.09561 693 VAL A C   
631  O O   . VAL A 116 ? 0.61729 0.51977 0.77525 0.01092  -0.01619 -0.08142 693 VAL A O   
632  C CB  . VAL A 116 ? 0.65170 0.53048 0.78059 0.04632  -0.00946 -0.15178 693 VAL A CB  
633  C CG1 . VAL A 116 ? 0.61892 0.50141 0.77508 0.06279  -0.00292 -0.14420 693 VAL A CG1 
634  C CG2 . VAL A 116 ? 0.68780 0.56305 0.78356 0.05771  -0.00495 -0.18739 693 VAL A CG2 
635  N N   . VAL A 117 ? 0.53199 0.47887 0.67346 0.02957  0.00794  -0.08336 694 VAL A N   
636  C CA  . VAL A 117 ? 0.52160 0.47428 0.68100 0.02610  0.00457  -0.05543 694 VAL A CA  
637  C C   . VAL A 117 ? 0.58925 0.51342 0.77817 0.03554  -0.00639 -0.05186 694 VAL A C   
638  O O   . VAL A 117 ? 0.60933 0.52302 0.80799 0.05242  -0.00536 -0.07152 694 VAL A O   
639  C CB  . VAL A 117 ? 0.53433 0.52104 0.68678 0.03110  0.01554  -0.04841 694 VAL A CB  
640  C CG1 . VAL A 117 ? 0.48953 0.48602 0.64751 0.02580  0.01098  -0.02089 694 VAL A CG1 
641  C CG2 . VAL A 117 ? 0.52633 0.53398 0.65321 0.02464  0.02586  -0.05649 694 VAL A CG2 
642  N N   . THR A 118 ? 0.59365 0.50582 0.79850 0.02580  -0.01611 -0.02539 695 THR A N   
643  C CA  . THR A 118 ? 0.59079 0.47451 0.82614 0.03331  -0.02836 -0.01376 695 THR A CA  
644  C C   . THR A 118 ? 0.55595 0.45780 0.79459 0.03189  -0.02930 0.02069  695 THR A C   
645  O O   . THR A 118 ? 0.55072 0.48115 0.76805 0.02174  -0.02176 0.03500  695 THR A O   
646  C CB  . THR A 118 ? 0.61817 0.46278 0.87387 0.02088  -0.04303 -0.00969 695 THR A CB  
647  O OG1 . THR A 118 ? 0.60252 0.46111 0.85670 0.00062  -0.04238 0.02038  695 THR A OG1 
648  C CG2 . THR A 118 ? 0.66347 0.49134 0.90880 0.01970  -0.04577 -0.04481 695 THR A CG2 
649  N N   . PRO A 119 ? 0.57617 0.46094 0.83977 0.04307  -0.03973 0.03454  696 PRO A N   
650  C CA  . PRO A 119 ? 0.58638 0.48811 0.84753 0.04154  -0.04345 0.07003  696 PRO A CA  
651  C C   . PRO A 119 ? 0.59642 0.49637 0.85188 0.02164  -0.04424 0.10119  696 PRO A C   
652  O O   . PRO A 119 ? 0.58785 0.51575 0.82198 0.01727  -0.03977 0.12480  696 PRO A O   
653  C CB  . PRO A 119 ? 0.61889 0.49614 0.91329 0.05890  -0.05756 0.07780  696 PRO A CB  
654  C CG  . PRO A 119 ? 0.61823 0.47318 0.93027 0.07327  -0.05679 0.03978  696 PRO A CG  
655  C CD  . PRO A 119 ? 0.63725 0.48380 0.93195 0.05814  -0.05050 0.01996  696 PRO A CD  
656  N N   . GLU A 120 ? 0.60255 0.47208 0.87757 0.00954  -0.04993 0.10145  697 GLU A N   
657  C CA  . GLU A 120 ? 0.60234 0.47855 0.87735 -0.01176 -0.04705 0.12969  697 GLU A CA  
658  C C   . GLU A 120 ? 0.56849 0.48656 0.81022 -0.01870 -0.03061 0.12386  697 GLU A C   
659  O O   . GLU A 120 ? 0.55452 0.49917 0.78150 -0.02624 -0.02218 0.15071  697 GLU A O   
660  C CB  . GLU A 120 ? 0.54291 0.38298 0.84862 -0.02563 -0.05740 0.12298  697 GLU A CB  
661  C CG  . GLU A 120 ? 0.61057 0.40165 0.95617 -0.02375 -0.07603 0.13449  697 GLU A CG  
662  C CD  . GLU A 120 ? 0.72735 0.49690 1.07896 0.00158  -0.08288 0.10741  697 GLU A CD  
663  O OE1 . GLU A 120 ? 0.72745 0.51088 1.05841 0.01317  -0.07455 0.06999  697 GLU A OE1 
664  O OE2 . GLU A 120 ? 0.82595 0.56533 1.20570 0.01031  -0.09621 0.12484  697 GLU A OE2 
665  N N   . PHE A 121 ? 0.52016 0.44367 0.74937 -0.01540 -0.02563 0.08901  698 PHE A N   
666  C CA  . PHE A 121 ? 0.49477 0.45279 0.69653 -0.02070 -0.01212 0.08248  698 PHE A CA  
667  C C   . PHE A 121 ? 0.52365 0.51235 0.69953 -0.01315 -0.00432 0.09392  698 PHE A C   
668  O O   . PHE A 121 ? 0.45766 0.47216 0.61578 -0.01940 0.00525  0.10707  698 PHE A O   
669  C CB  . PHE A 121 ? 0.50198 0.45866 0.69295 -0.01607 -0.00971 0.04627  698 PHE A CB  
670  C CG  . PHE A 121 ? 0.50120 0.48740 0.66858 -0.02138 0.00152  0.04003  698 PHE A CG  
671  C CD1 . PHE A 121 ? 0.49185 0.48181 0.66527 -0.03480 0.00140  0.04241  698 PHE A CD1 
672  C CD2 . PHE A 121 ? 0.44020 0.44935 0.58450 -0.01289 0.01018  0.03179  698 PHE A CD2 
673  C CE1 . PHE A 121 ? 0.46293 0.47847 0.61856 -0.03706 0.01044  0.03680  698 PHE A CE1 
674  C CE2 . PHE A 121 ? 0.46693 0.49733 0.59288 -0.01672 0.01866  0.02584  698 PHE A CE2 
675  C CZ  . PHE A 121 ? 0.42876 0.46206 0.55980 -0.02750 0.01916  0.02851  698 PHE A CZ  
676  N N   . LEU A 122 ? 0.50036 0.48768 0.67533 0.00125  -0.00920 0.08737  699 LEU A N   
677  C CA  . LEU A 122 ? 0.51340 0.52776 0.66581 0.00807  -0.00732 0.09613  699 LEU A CA  
678  C C   . LEU A 122 ? 0.50190 0.52560 0.64344 0.00285  -0.00779 0.13122  699 LEU A C   
679  O O   . LEU A 122 ? 0.52064 0.57150 0.63210 0.00207  -0.00046 0.13682  699 LEU A O   
680  C CB  . LEU A 122 ? 0.50639 0.51725 0.67189 0.02356  -0.01659 0.08838  699 LEU A CB  
681  C CG  . LEU A 122 ? 0.51442 0.52103 0.69271 0.03202  -0.01354 0.05672  699 LEU A CG  
682  C CD1 . LEU A 122 ? 0.53851 0.54784 0.73797 0.04853  -0.02231 0.05593  699 LEU A CD1 
683  C CD2 . LEU A 122 ? 0.37446 0.40501 0.53018 0.02739  -0.00208 0.03880  699 LEU A CD2 
684  N N   . GLU A 123 ? 0.50235 0.50305 0.66703 0.00042  -0.01663 0.15550  700 GLU A N   
685  C CA  . GLU A 123 ? 0.53213 0.54301 0.68641 -0.00607 -0.01508 0.19459  700 GLU A CA  
686  C C   . GLU A 123 ? 0.56089 0.59127 0.70638 -0.02053 0.00094  0.20249  700 GLU A C   
687  O O   . GLU A 123 ? 0.61299 0.67294 0.72900 -0.02125 0.01135  0.22038  700 GLU A O   
688  C CB  . GLU A 123 ? 0.61049 0.58791 0.79855 -0.00799 -0.02856 0.22193  700 GLU A CB  
689  C CG  . GLU A 123 ? 0.72135 0.69005 0.91319 0.00861  -0.04453 0.23080  700 GLU A CG  
690  C CD  . GLU A 123 ? 0.83340 0.83425 0.98558 0.01324  -0.04472 0.25556  700 GLU A CD  
691  O OE1 . GLU A 123 ? 0.86879 0.88341 1.00809 0.02706  -0.05346 0.24279  700 GLU A OE1 
692  O OE2 . GLU A 123 ? 0.82006 0.83418 0.95431 0.00308  -0.03657 0.28800  700 GLU A OE2 
693  N N   . LYS A 124 ? 0.51051 0.52671 0.68146 -0.03093 0.00260  0.18857  701 LYS A N   
694  C CA  . LYS A 124 ? 0.52331 0.56046 0.69691 -0.04485 0.01602  0.19815  701 LYS A CA  
695  C C   . LYS A 124 ? 0.49832 0.57352 0.63391 -0.03860 0.03133  0.18745  701 LYS A C   
696  O O   . LYS A 124 ? 0.51470 0.61852 0.63894 -0.04285 0.04549  0.20826  701 LYS A O   
697  C CB  . LYS A 124 ? 0.54996 0.56777 0.75337 -0.05466 0.01078  0.17647  701 LYS A CB  
698  C CG  . LYS A 124 ? 0.53172 0.56972 0.75350 -0.07113 0.02007  0.18957  701 LYS A CG  
699  C CD  . LYS A 124 ? 0.53074 0.55578 0.76921 -0.07675 0.01223  0.15891  701 LYS A CD  
700  C CE  . LYS A 124 ? 0.55493 0.58453 0.83378 -0.09703 0.00987  0.17417  701 LYS A CE  
701  N NZ  . LYS A 124 ? 0.57011 0.64670 0.84384 -0.09991 0.02872  0.18647  701 LYS A NZ  
702  N N   . TYR A 125 ? 0.46295 0.53907 0.58030 -0.02804 0.02932  0.15543  702 TYR A N   
703  C CA  . TYR A 125 ? 0.50743 0.61153 0.59317 -0.02201 0.04048  0.14061  702 TYR A CA  
704  C C   . TYR A 125 ? 0.49522 0.61083 0.54725 -0.00984 0.03696  0.13980  702 TYR A C   
705  O O   . TYR A 125 ? 0.45501 0.58752 0.48100 -0.00377 0.04226  0.12263  702 TYR A O   
706  C CB  . TYR A 125 ? 0.42983 0.52775 0.52012 -0.02132 0.03993  0.10799  702 TYR A CB  
707  C CG  . TYR A 125 ? 0.49688 0.59026 0.61398 -0.03316 0.04190  0.10770  702 TYR A CG  
708  C CD1 . TYR A 125 ? 0.46707 0.58554 0.58476 -0.03744 0.05395  0.11266  702 TYR A CD1 
709  C CD2 . TYR A 125 ? 0.48138 0.54599 0.62508 -0.03902 0.03010  0.10134  702 TYR A CD2 
710  C CE1 . TYR A 125 ? 0.48752 0.60531 0.63607 -0.04935 0.05240  0.11410  702 TYR A CE1 
711  C CE2 . TYR A 125 ? 0.48621 0.54579 0.65430 -0.05087 0.02715  0.09952  702 TYR A CE2 
712  C CZ  . TYR A 125 ? 0.51207 0.59950 0.68457 -0.05703 0.03734  0.10730  702 TYR A CZ  
713  O OH  . TYR A 125 ? 0.51465 0.59900 0.71691 -0.06962 0.03072  0.10607  702 TYR A OH  
714  N N   . LYS A 126 ? 0.36860 0.63422 0.66574 0.03897  -0.00155 0.08450  703 LYS A N   
715  C CA  . LYS A 126 ? 0.39230 0.65543 0.62183 0.05997  0.00894  0.07385  703 LYS A CA  
716  C C   . LYS A 126 ? 0.36176 0.60521 0.54118 0.05478  -0.00860 0.03205  703 LYS A C   
717  O O   . LYS A 126 ? 0.39648 0.63804 0.52782 0.07352  -0.00507 0.02053  703 LYS A O   
718  C CB  . LYS A 126 ? 0.44150 0.72599 0.64766 0.09212  0.03865  0.09961  703 LYS A CB  
719  C CG  . LYS A 126 ? 0.40997 0.72256 0.68141 0.09725  0.06318  0.14983  703 LYS A CG  
720  C CD  . LYS A 126 ? 0.54052 0.86140 0.80144 0.11684  0.08301  0.18113  703 LYS A CD  
721  C CE  . LYS A 126 ? 0.57975 0.88638 0.88271 0.09154  0.06113  0.18089  703 LYS A CE  
722  N NZ  . LYS A 126 ? 0.67148 0.98120 0.95812 0.10982  0.07599  0.20869  703 LYS A NZ  
723  N N   . ILE A 127 ? 0.37711 0.60460 0.56933 0.03192  -0.02858 0.01076  704 ILE A N   
724  C CA  . ILE A 127 ? 0.37428 0.58711 0.53093 0.02540  -0.04103 -0.02089 704 ILE A CA  
725  C C   . ILE A 127 ? 0.39243 0.59684 0.52366 0.03041  -0.04495 -0.03538 704 ILE A C   
726  O O   . ILE A 127 ? 0.40333 0.60406 0.55036 0.02611  -0.04776 -0.03303 704 ILE A O   
727  C CB  . ILE A 127 ? 0.37270 0.57185 0.54571 0.00501  -0.05665 -0.03427 704 ILE A CB  
728  C CG1 . ILE A 127 ? 0.32456 0.52790 0.52195 0.00087  -0.05903 -0.02351 704 ILE A CG1 
729  C CG2 . ILE A 127 ? 0.34424 0.53164 0.48374 -0.00012 -0.06311 -0.05942 704 ILE A CG2 
730  C CD1 . ILE A 127 ? 0.34565 0.53193 0.57230 -0.01413 -0.07965 -0.02778 704 ILE A CD1 
731  N N   . ASP A 128 ? 0.37088 0.57038 0.46966 0.03978  -0.04927 -0.05077 705 ASP A N   
732  C CA  . ASP A 128 ? 0.35754 0.54779 0.44285 0.04485  -0.05779 -0.06417 705 ASP A CA  
733  C C   . ASP A 128 ? 0.40275 0.58660 0.50034 0.02722  -0.06568 -0.08222 705 ASP A C   
734  O O   . ASP A 128 ? 0.38145 0.56182 0.48911 0.02480  -0.06877 -0.08873 705 ASP A O   
735  C CB  . ASP A 128 ? 0.37626 0.55987 0.42695 0.06803  -0.06526 -0.07122 705 ASP A CB  
736  C CG  . ASP A 128 ? 0.41852 0.60800 0.44382 0.09484  -0.05224 -0.05152 705 ASP A CG  
737  O OD1 . ASP A 128 ? 0.49033 0.68265 0.51971 0.09986  -0.04424 -0.03560 705 ASP A OD1 
738  O OD2 . ASP A 128 ? 0.47220 0.66400 0.47327 0.11327  -0.04840 -0.04985 705 ASP A OD2 
739  N N   . TYR A 129 ? 0.35420 0.53741 0.45182 0.01678  -0.06689 -0.08783 706 TYR A N   
740  C CA  . TYR A 129 ? 0.39586 0.57567 0.50105 0.00415  -0.06777 -0.09838 706 TYR A CA  
741  C C   . TYR A 129 ? 0.38432 0.56063 0.48494 -0.00665 -0.06571 -0.09731 706 TYR A C   
742  O O   . TYR A 129 ? 0.37078 0.54742 0.46671 -0.00660 -0.06836 -0.09205 706 TYR A O   
743  C CB  . TYR A 129 ? 0.35809 0.53653 0.46741 0.00627  -0.07620 -0.10542 706 TYR A CB  
744  C CG  . TYR A 129 ? 0.37088 0.54507 0.48347 0.01968  -0.08763 -0.11042 706 TYR A CG  
745  C CD1 . TYR A 129 ? 0.38524 0.55244 0.47472 0.03858  -0.09861 -0.11139 706 TYR A CD1 
746  C CD2 . TYR A 129 ? 0.38556 0.56033 0.52166 0.01727  -0.08912 -0.11516 706 TYR A CD2 
747  C CE1 . TYR A 129 ? 0.37936 0.53493 0.46183 0.05579  -0.11511 -0.11865 706 TYR A CE1 
748  C CE2 . TYR A 129 ? 0.39382 0.55985 0.53450 0.03038  -0.10579 -0.12108 706 TYR A CE2 
749  C CZ  . TYR A 129 ? 0.36788 0.52178 0.47801 0.05005  -0.12071 -0.12352 706 TYR A CZ  
750  O OH  . TYR A 129 ? 0.40263 0.54074 0.50752 0.06756  -0.14251 -0.13173 706 TYR A OH  
751  N N   . VAL A 130 ? 0.40895 0.57976 0.50756 -0.01246 -0.06211 -0.10328 707 VAL A N   
752  C CA  . VAL A 130 ? 0.39128 0.55213 0.47292 -0.01806 -0.06303 -0.10502 707 VAL A CA  
753  C C   . VAL A 130 ? 0.45547 0.62016 0.53195 -0.02080 -0.05541 -0.10377 707 VAL A C   
754  O O   . VAL A 130 ? 0.42571 0.59880 0.51618 -0.01885 -0.04651 -0.10428 707 VAL A O   
755  C CB  . VAL A 130 ? 0.42973 0.57690 0.50145 -0.01536 -0.06565 -0.11328 707 VAL A CB  
756  C CG1 . VAL A 130 ? 0.39883 0.52991 0.43848 -0.01474 -0.06811 -0.11742 707 VAL A CG1 
757  C CG2 . VAL A 130 ? 0.41881 0.56074 0.51136 -0.01547 -0.07854 -0.10975 707 VAL A CG2 
758  N N   . ALA A 131 ? 0.45273 0.61245 0.51801 -0.02565 -0.05958 -0.09910 708 ALA A N   
759  C CA  . ALA A 131 ? 0.44860 0.61230 0.51752 -0.02976 -0.05377 -0.09144 708 ALA A CA  
760  C C   . ALA A 131 ? 0.44917 0.59992 0.48441 -0.02997 -0.04859 -0.08778 708 ALA A C   
761  O O   . ALA A 131 ? 0.50825 0.64549 0.52612 -0.03241 -0.06140 -0.08883 708 ALA A O   
762  C CB  . ALA A 131 ? 0.38429 0.55020 0.46944 -0.03273 -0.06738 -0.08820 708 ALA A CB  
763  N N   . HIS A 132 ? 0.49681 0.65132 0.52250 -0.02461 -0.02956 -0.08214 709 HIS A N   
764  C CA  . HIS A 132 ? 0.60511 0.74428 0.58340 -0.01634 -0.02103 -0.07865 709 HIS A CA  
765  C C   . HIS A 132 ? 0.60345 0.75941 0.58970 -0.01103 0.00815  -0.05978 709 HIS A C   
766  O O   . HIS A 132 ? 0.50998 0.68790 0.54410 -0.01382 0.01884  -0.05385 709 HIS A O   
767  C CB  . HIS A 132 ? 0.61574 0.73486 0.55784 -0.00329 -0.02825 -0.09724 709 HIS A CB  
768  C CG  . HIS A 132 ? 0.69870 0.78750 0.58239 0.00753  -0.03827 -0.10185 709 HIS A CG  
769  N ND1 . HIS A 132 ? 0.76473 0.84246 0.59548 0.02824  -0.02070 -0.10046 709 HIS A ND1 
770  C CD2 . HIS A 132 ? 0.67764 0.74233 0.54578 0.00397  -0.06586 -0.10822 709 HIS A CD2 
771  C CE1 . HIS A 132 ? 0.78436 0.82772 0.56058 0.03837  -0.04033 -0.10793 709 HIS A CE1 
772  N NE2 . HIS A 132 ? 0.78209 0.81690 0.58542 0.02192  -0.06989 -0.11296 709 HIS A NE2 
773  N N   . ASP A 133 ? 0.60510 0.75057 0.54761 -0.00199 0.02080  -0.04742 710 ASP A N   
774  C CA  . ASP A 133 ? 0.71232 0.87677 0.65981 0.00852  0.05669  -0.02387 710 ASP A CA  
775  C C   . ASP A 133 ? 0.76667 0.93047 0.68331 0.03156  0.07539  -0.03706 710 ASP A C   
776  O O   . ASP A 133 ? 0.78019 0.91981 0.65733 0.04094  0.05617  -0.06430 710 ASP A O   
777  C CB  . ASP A 133 ? 0.73946 0.89349 0.64460 0.01477  0.06844  -0.00070 710 ASP A CB  
778  C CG  . ASP A 133 ? 0.87150 0.98569 0.69112 0.02970  0.04992  -0.01979 710 ASP A CG  
779  O OD1 . ASP A 133 ? 0.86278 0.95957 0.64722 0.04470  0.04067  -0.04634 710 ASP A OD1 
780  O OD2 . ASP A 133 ? 1.00901 1.10618 0.79960 0.02721  0.04052  -0.00823 710 ASP A OD2 
781  N N   . ASP A 134 ? 0.75807 0.94941 0.70250 0.04122  0.11147  -0.01652 711 ASP A N   
782  C CA  . ASP A 134 ? 0.81774 1.01196 0.73521 0.06763  0.13423  -0.02725 711 ASP A CA  
783  C C   . ASP A 134 ? 0.83929 1.04875 0.72964 0.09248  0.18132  0.00299  711 ASP A C   
784  O O   . ASP A 134 ? 1.02160 1.20690 0.82298 0.12282  0.19098  -0.00502 711 ASP A O   
785  C CB  . ASP A 134 ? 0.80938 1.02805 0.80078 0.05904  0.13469  -0.03411 711 ASP A CB  
786  N N   . ASP A 144 ? 0.98896 1.07601 0.74846 0.22919  0.07944  -0.22733 739 ASP A N   
787  C CA  . ASP A 144 ? 0.93192 1.00091 0.66057 0.21289  0.06254  -0.21766 739 ASP A CA  
788  C C   . ASP A 144 ? 0.89516 0.94335 0.66240 0.18194  0.01112  -0.23018 739 ASP A C   
789  O O   . ASP A 144 ? 0.85495 0.91001 0.67842 0.16918  -0.00438 -0.23831 739 ASP A O   
790  C CB  . ASP A 144 ? 0.92892 1.03872 0.69296 0.19076  0.10006  -0.17734 739 ASP A CB  
791  C CG  . ASP A 144 ? 0.88621 1.02870 0.74806 0.15051  0.09555  -0.16256 739 ASP A CG  
792  O OD1 . ASP A 144 ? 0.83271 0.99812 0.74806 0.15016  0.10652  -0.16362 739 ASP A OD1 
793  O OD2 . ASP A 144 ? 0.86982 1.01282 0.75169 0.12220  0.07963  -0.15066 739 ASP A OD2 
794  N N   . ILE A 145 ? 0.85823 0.88148 0.59757 0.17164  -0.01424 -0.22908 740 ILE A N   
795  C CA  . ILE A 145 ? 0.88390 0.88796 0.66256 0.14698  -0.06062 -0.23741 740 ILE A CA  
796  C C   . ILE A 145 ? 0.78675 0.82863 0.64717 0.10976  -0.05319 -0.21560 740 ILE A C   
797  O O   . ILE A 145 ? 0.76164 0.79762 0.66685 0.09333  -0.08167 -0.21854 740 ILE A O   
798  C CB  . ILE A 145 ? 0.83832 0.80843 0.57460 0.14618  -0.08877 -0.23965 740 ILE A CB  
799  C CG1 . ILE A 145 ? 0.87047 0.86794 0.61561 0.12413  -0.06344 -0.20989 740 ILE A CG1 
800  C CG2 . ILE A 145 ? 0.89546 0.82272 0.53656 0.18919  -0.09753 -0.26215 740 ILE A CG2 
801  C CD1 . ILE A 145 ? 0.98142 0.94614 0.67573 0.12798  -0.08530 -0.21063 740 ILE A CD1 
802  N N   . TYR A 146 ? 0.75022 0.82909 0.63277 0.09873  -0.01731 -0.19259 741 TYR A N   
803  C CA  . TYR A 146 ? 0.68262 0.78980 0.63151 0.07018  -0.01580 -0.17632 741 TYR A CA  
804  C C   . TYR A 146 ? 0.65020 0.78056 0.64516 0.07121  -0.00213 -0.17668 741 TYR A C   
805  O O   . TYR A 146 ? 0.54479 0.69532 0.58854 0.05273  -0.00207 -0.16471 741 TYR A O   
806  C CB  . TYR A 146 ? 0.71176 0.83788 0.66602 0.05579  0.00162  -0.15316 741 TYR A CB  
807  C CG  . TYR A 146 ? 0.81676 0.91817 0.72782 0.05463  -0.01489 -0.15334 741 TYR A CG  
808  C CD1 . TYR A 146 ? 0.81008 0.89238 0.73069 0.04379  -0.04829 -0.16081 741 TYR A CD1 
809  C CD2 . TYR A 146 ? 0.83326 0.93022 0.69765 0.06595  0.00290  -0.14346 741 TYR A CD2 
810  C CE1 . TYR A 146 ? 0.83033 0.88875 0.71997 0.04293  -0.06727 -0.16168 741 TYR A CE1 
811  C CE2 . TYR A 146 ? 0.86287 0.93280 0.68581 0.06605  -0.01667 -0.14491 741 TYR A CE2 
812  C CZ  . TYR A 146 ? 0.86795 0.91800 0.70582 0.05399  -0.05370 -0.15582 741 TYR A CZ  
813  O OH  . TYR A 146 ? 0.87531 0.89778 0.68113 0.05378  -0.07673 -0.15752 741 TYR A OH  
814  N N   . ALA A 147 ? 0.68136 0.80543 0.65965 0.09531  0.00539  -0.19248 742 ALA A N   
815  C CA  . ALA A 147 ? 0.59792 0.74143 0.62459 0.09698  0.01409  -0.19481 742 ALA A CA  
816  C C   . ALA A 147 ? 0.55381 0.69373 0.62541 0.07713  -0.01500 -0.19610 742 ALA A C   
817  O O   . ALA A 147 ? 0.47884 0.63969 0.59772 0.06491  -0.01031 -0.18556 742 ALA A O   
818  C CB  . ALA A 147 ? 0.63720 0.76760 0.63370 0.12986  0.01972  -0.21687 742 ALA A CB  
819  N N   . TRP A 148 ? 0.58388 0.69576 0.64375 0.07568  -0.04681 -0.20693 743 TRP A N   
820  C CA  . TRP A 148 ? 0.55512 0.66601 0.66003 0.05995  -0.06946 -0.20143 743 TRP A CA  
821  C C   . TRP A 148 ? 0.51731 0.64833 0.64463 0.03924  -0.06315 -0.17893 743 TRP A C   
822  O O   . TRP A 148 ? 0.48446 0.62516 0.64533 0.03190  -0.06745 -0.17052 743 TRP A O   
823  C CB  . TRP A 148 ? 0.55959 0.63916 0.66258 0.06064  -0.10480 -0.21004 743 TRP A CB  
824  C CG  . TRP A 148 ? 0.57865 0.64807 0.66739 0.05031  -0.11606 -0.20088 743 TRP A CG  
825  C CD1 . TRP A 148 ? 0.62987 0.67815 0.67078 0.06117  -0.12182 -0.21171 743 TRP A CD1 
826  C CD2 . TRP A 148 ? 0.52393 0.60251 0.64669 0.03034  -0.12375 -0.17865 743 TRP A CD2 
827  N NE1 . TRP A 148 ? 0.63384 0.67734 0.68430 0.04608  -0.13578 -0.19869 743 TRP A NE1 
828  C CE2 . TRP A 148 ? 0.58967 0.65407 0.69202 0.02767  -0.13456 -0.17760 743 TRP A CE2 
829  C CE3 . TRP A 148 ? 0.51873 0.61550 0.68319 0.01814  -0.12124 -0.15848 743 TRP A CE3 
830  C CZ2 . TRP A 148 ? 0.57396 0.64603 0.70528 0.01215  -0.14070 -0.15675 743 TRP A CZ2 
831  C CZ3 . TRP A 148 ? 0.53712 0.64125 0.72113 0.00617  -0.12417 -0.13659 743 TRP A CZ3 
832  C CH2 . TRP A 148 ? 0.54049 0.63435 0.71235 0.00270  -0.13278 -0.13573 743 TRP A CH2 
833  N N   . LEU A 149 ? 0.51289 0.64749 0.61761 0.03296  -0.05482 -0.17008 744 LEU A N   
834  C CA  . LEU A 149 ? 0.48494 0.63602 0.60634 0.01854  -0.05062 -0.15278 744 LEU A CA  
835  C C   . LEU A 149 ? 0.45285 0.62450 0.59915 0.01860  -0.03526 -0.14837 744 LEU A C   
836  O O   . LEU A 149 ? 0.45373 0.63179 0.62387 0.01374  -0.04271 -0.14196 744 LEU A O   
837  C CB  . LEU A 149 ? 0.48600 0.63379 0.58099 0.01287  -0.04865 -0.14622 744 LEU A CB  
838  C CG  . LEU A 149 ? 0.52568 0.65504 0.61376 0.00896  -0.06967 -0.14577 744 LEU A CG  
839  C CD1 . LEU A 149 ? 0.56451 0.68335 0.61842 0.00881  -0.06982 -0.14613 744 LEU A CD1 
840  C CD2 . LEU A 149 ? 0.43374 0.57261 0.55119 -0.00048 -0.07648 -0.12980 744 LEU A CD2 
841  N N   . LYS A 150 ? 0.43855 0.61968 0.58179 0.02668  -0.01468 -0.15009 745 LYS A N   
842  C CA  . LYS A 150 ? 0.39560 0.59797 0.58148 0.02588  -0.00220 -0.14253 745 LYS A CA  
843  C C   . LYS A 150 ? 0.39634 0.59910 0.61521 0.02934  -0.01298 -0.15036 745 LYS A C   
844  O O   . LYS A 150 ? 0.39637 0.60610 0.65125 0.02437  -0.02193 -0.14520 745 LYS A O   
845  C CB  . LYS A 150 ? 0.42678 0.64372 0.61156 0.03705  0.02803  -0.13694 745 LYS A CB  
846  C CG  . LYS A 150 ? 0.43024 0.64822 0.58688 0.03348  0.04004  -0.12334 745 LYS A CG  
847  C CD  . LYS A 150 ? 0.54310 0.75930 0.65543 0.05419  0.06643  -0.12356 745 LYS A CD  
848  C CE  . LYS A 150 ? 0.48177 0.72167 0.61212 0.05566  0.09796  -0.09684 745 LYS A CE  
849  N NZ  . LYS A 150 ? 0.64826 0.88562 0.72237 0.08311  0.12847  -0.09449 745 LYS A NZ  
850  N N   . ARG A 151 ? 0.39125 0.58233 0.59807 0.03966  -0.01708 -0.16427 746 ARG A N   
851  C CA  . ARG A 151 ? 0.39025 0.57822 0.62784 0.04233  -0.03111 -0.17110 746 ARG A CA  
852  C C   . ARG A 151 ? 0.40092 0.58234 0.64655 0.03145  -0.05242 -0.16158 746 ARG A C   
853  O O   . ARG A 151 ? 0.39146 0.57494 0.66591 0.03202  -0.06213 -0.16019 746 ARG A O   
854  C CB  . ARG A 151 ? 0.45362 0.62340 0.67462 0.05467  -0.04024 -0.18811 746 ARG A CB  
855  C CG  . ARG A 151 ? 0.49881 0.67103 0.75315 0.06573  -0.04243 -0.19951 746 ARG A CG  
856  C CD  . ARG A 151 ? 0.55826 0.71660 0.78954 0.08811  -0.04096 -0.22142 746 ARG A CD  
857  N NE  . ARG A 151 ? 0.65244 0.78579 0.83652 0.09196  -0.05457 -0.22937 746 ARG A NE  
858  C CZ  . ARG A 151 ? 0.68266 0.80436 0.81931 0.11409  -0.04497 -0.24430 746 ARG A CZ  
859  N NH1 . ARG A 151 ? 0.72325 0.86081 0.85092 0.13627  -0.01406 -0.24968 746 ARG A NH1 
860  N NH2 . ARG A 151 ? 0.63206 0.72481 0.72971 0.11683  -0.06695 -0.25262 746 ARG A NH2 
861  N N   . ALA A 152 ? 0.40849 0.58157 0.62751 0.02452  -0.05934 -0.15375 747 ALA A N   
862  C CA  . ALA A 152 ? 0.38316 0.55129 0.60302 0.02075  -0.07372 -0.14141 747 ALA A CA  
863  C C   . ALA A 152 ? 0.40197 0.57633 0.61923 0.01995  -0.07478 -0.13419 747 ALA A C   
864  O O   . ALA A 152 ? 0.43793 0.60660 0.64677 0.02433  -0.08554 -0.12526 747 ALA A O   
865  C CB  . ALA A 152 ? 0.36844 0.52808 0.57201 0.01619  -0.07911 -0.13248 747 ALA A CB  
866  N N   . GLY A 153 ? 0.41528 0.59923 0.63972 0.01742  -0.06547 -0.13673 748 GLY A N   
867  C CA  . GLY A 153 ? 0.33013 0.51511 0.55626 0.01704  -0.07354 -0.13210 748 GLY A CA  
868  C C   . GLY A 153 ? 0.35286 0.53657 0.54910 0.01305  -0.07112 -0.12579 748 GLY A C   
869  O O   . GLY A 153 ? 0.43796 0.61814 0.62964 0.01637  -0.08248 -0.12408 748 GLY A O   
870  N N   . LYS A 154 ? 0.36519 0.54864 0.54241 0.00801  -0.06063 -0.12444 749 LYS A N   
871  C CA  . LYS A 154 ? 0.40782 0.58853 0.56084 0.00466  -0.06130 -0.11770 749 LYS A CA  
872  C C   . LYS A 154 ? 0.43989 0.62229 0.58236 -0.00203 -0.05182 -0.11810 749 LYS A C   
873  O O   . LYS A 154 ? 0.44239 0.61997 0.56641 -0.00550 -0.05383 -0.11421 749 LYS A O   
874  C CB  . LYS A 154 ? 0.37141 0.54622 0.51747 0.00497  -0.06432 -0.11161 749 LYS A CB  
875  C CG  . LYS A 154 ? 0.42359 0.59734 0.57686 0.01284  -0.07046 -0.10349 749 LYS A CG  
876  C CD  . LYS A 154 ? 0.48312 0.65378 0.64734 0.01068  -0.07254 -0.09119 749 LYS A CD  
877  C CE  . LYS A 154 ? 0.46594 0.63801 0.63606 0.02010  -0.07407 -0.07413 749 LYS A CE  
878  N NZ  . LYS A 154 ? 0.42759 0.60363 0.56957 0.03328  -0.07000 -0.06690 749 LYS A NZ  
879  N N   . PHE A 155 ? 0.42174 0.61149 0.57741 -0.00257 -0.04041 -0.11960 750 PHE A N   
880  C CA  . PHE A 155 ? 0.38601 0.57737 0.52711 -0.00606 -0.02854 -0.11449 750 PHE A CA  
881  C C   . PHE A 155 ? 0.40432 0.60507 0.57261 -0.01145 -0.02973 -0.10453 750 PHE A C   
882  O O   . PHE A 155 ? 0.33365 0.54373 0.54273 -0.01053 -0.03076 -0.10230 750 PHE A O   
883  C CB  . PHE A 155 ? 0.38611 0.57981 0.51814 0.00201  -0.00944 -0.11761 750 PHE A CB  
884  C CG  . PHE A 155 ? 0.44949 0.64190 0.55431 0.00326  0.00472  -0.10934 750 PHE A CG  
885  C CD1 . PHE A 155 ? 0.51403 0.68721 0.57580 0.00329  -0.00505 -0.11364 750 PHE A CD1 
886  C CD2 . PHE A 155 ? 0.45350 0.66345 0.58046 0.00481  0.02664  -0.09388 750 PHE A CD2 
887  C CE1 . PHE A 155 ? 0.55623 0.72364 0.58531 0.00652  0.00525  -0.10555 750 PHE A CE1 
888  C CE2 . PHE A 155 ? 0.52180 0.73025 0.61935 0.00795  0.04223  -0.08101 750 PHE A CE2 
889  C CZ  . PHE A 155 ? 0.51813 0.70318 0.56062 0.00949  0.03054  -0.08824 750 PHE A CZ  
890  N N   . LYS A 156 ? 0.35688 0.55334 0.50992 -0.01708 -0.03354 -0.09842 751 LYS A N   
891  C CA  . LYS A 156 ? 0.36338 0.56506 0.54660 -0.02274 -0.03999 -0.08835 751 LYS A CA  
892  C C   . LYS A 156 ? 0.48277 0.68769 0.65538 -0.02738 -0.02298 -0.07393 751 LYS A C   
893  O O   . LYS A 156 ? 0.42462 0.61824 0.56058 -0.02957 -0.02646 -0.07436 751 LYS A O   
894  C CB  . LYS A 156 ? 0.32889 0.52012 0.50389 -0.02157 -0.06394 -0.09412 751 LYS A CB  
895  C CG  . LYS A 156 ? 0.32868 0.51547 0.51229 -0.01137 -0.08027 -0.10432 751 LYS A CG  
896  C CD  . LYS A 156 ? 0.33987 0.53184 0.57695 -0.01142 -0.08793 -0.10273 751 LYS A CD  
897  C CE  . LYS A 156 ? 0.33472 0.51149 0.58366 -0.00062 -0.12165 -0.11252 751 LYS A CE  
898  N NZ  . LYS A 156 ? 0.33907 0.51535 0.64767 0.00022  -0.13885 -0.11282 751 LYS A NZ  
899  N N   . ALA A 157 ? 0.38094 0.60162 0.58723 -0.02721 -0.00350 -0.05841 752 ALA A N   
900  C CA  . ALA A 157 ? 0.43901 0.66372 0.62888 -0.02719 0.01836  -0.03911 752 ALA A CA  
901  C C   . ALA A 157 ? 0.43552 0.65520 0.64048 -0.03855 0.00191  -0.02712 752 ALA A C   
902  O O   . ALA A 157 ? 0.44629 0.66893 0.70475 -0.04536 -0.01889 -0.02456 752 ALA A O   
903  C CB  . ALA A 157 ? 0.42602 0.67479 0.65733 -0.02156 0.04935  -0.01782 752 ALA A CB  
904  N N   . THR A 158 ? 0.45381 0.66169 0.61139 -0.03867 0.00631  -0.02172 753 THR A N   
905  C CA  . THR A 158 ? 0.47174 0.67500 0.64315 -0.04870 -0.00562 -0.00621 753 THR A CA  
906  C C   . THR A 158 ? 0.50881 0.71670 0.66075 -0.04493 0.02320  0.02182  753 THR A C   
907  O O   . THR A 158 ? 0.52083 0.72636 0.62169 -0.03028 0.04743  0.02080  753 THR A O   
908  C CB  . THR A 158 ? 0.49869 0.68093 0.63172 -0.05132 -0.03104 -0.02384 753 THR A CB  
909  O OG1 . THR A 158 ? 0.48041 0.64824 0.55008 -0.04392 -0.02196 -0.03011 753 THR A OG1 
910  C CG2 . THR A 158 ? 0.46217 0.64204 0.60449 -0.04870 -0.05152 -0.04714 753 THR A CG2 
911  N N   . GLN A 159 ? 0.49119 0.70334 0.68210 -0.05532 0.01880  0.04741  754 GLN A N   
912  C CA  . GLN A 159 ? 0.60905 0.83202 0.79977 -0.05169 0.05042  0.08552  754 GLN A CA  
913  C C   . GLN A 159 ? 0.67414 0.87370 0.80526 -0.05184 0.04288  0.09143  754 GLN A C   
914  O O   . GLN A 159 ? 0.61313 0.79527 0.74371 -0.06238 0.00848  0.07594  754 GLN A O   
915  C CB  . GLN A 159 ? 0.50621 0.75274 0.80045 -0.06427 0.05162  0.11972  754 GLN A CB  
916  C CG  . GLN A 159 ? 0.50675 0.76257 0.87766 -0.07096 0.02764  0.10360  754 GLN A CG  
917  C CD  . GLN A 159 ? 0.47524 0.73968 0.82534 -0.05829 0.04543  0.08337  754 GLN A CD  
918  O OE1 . GLN A 159 ? 0.50959 0.76906 0.87900 -0.05933 0.02077  0.05701  754 GLN A OE1 
919  N NE2 . GLN A 159 ? 0.59955 0.87408 0.90441 -0.04300 0.08716  0.09512  754 GLN A NE2 
920  N N   . ARG A 160 ? 0.82771 1.02638 0.90740 -0.03687 0.07581  0.11503  755 ARG A N   
921  C CA  . ARG A 160 ? 0.87076 1.04376 0.88556 -0.03272 0.07055  0.12440  755 ARG A CA  
922  C C   . ARG A 160 ? 0.90327 1.08906 0.96890 -0.04309 0.08064  0.17220  755 ARG A C   
923  O O   . ARG A 160 ? 0.90775 1.12523 1.04821 -0.04666 0.10537  0.20577  755 ARG A O   
924  C CB  . ARG A 160 ? 0.99655 1.15321 0.91077 -0.00341 0.09662  0.12041  755 ARG A CB  
925  C CG  . ARG A 160 ? 1.14289 1.27248 0.98282 0.00827  0.09861  0.13905  755 ARG A CG  
926  C CD  . ARG A 160 ? 1.23683 1.34029 0.96556 0.04382  0.11395  0.12412  755 ARG A CD  
927  N NE  . ARG A 160 ? 1.25030 1.34844 0.96939 0.05005  0.10114  0.08131  755 ARG A NE  
928  C CZ  . ARG A 160 ? 1.30129 1.36246 0.96823 0.05552  0.06435  0.04224  755 ARG A CZ  
929  N NH1 . ARG A 160 ? 1.33076 1.35497 0.94615 0.05715  0.03520  0.03681  755 ARG A NH1 
930  N NH2 . ARG A 160 ? 1.25537 1.31601 0.92937 0.05913  0.05432  0.00987  755 ARG A NH2 
931  N N   . THR A 161 ? 0.92588 1.08685 0.95964 -0.04864 0.05923  0.17747  756 THR A N   
932  C CA  . THR A 161 ? 0.92543 1.09281 0.99558 -0.05661 0.06798  0.22627  756 THR A CA  
933  C C   . THR A 161 ? 1.03764 1.18075 1.00371 -0.03543 0.08733  0.24385  756 THR A C   
934  O O   . THR A 161 ? 1.03422 1.14115 0.92220 -0.02875 0.06076  0.21163  756 THR A O   
935  C CB  . THR A 161 ? 0.80431 0.96008 0.93389 -0.08092 0.01999  0.21988  756 THR A CB  
936  O OG1 . THR A 161 ? 0.69006 0.85889 0.89547 -0.09317 -0.00445 0.19475  756 THR A OG1 
937  C CG2 . THR A 161 ? 0.81845 0.98408 1.00844 -0.09177 0.02701  0.27537  756 THR A CG2 
938  N N   . GLU A 162 ? 1.07981 1.24170 1.04665 -0.02275 0.13251  0.29669  757 GLU A N   
939  C CA  . GLU A 162 ? 1.15657 1.29387 1.01211 0.00522  0.15574  0.31743  757 GLU A CA  
940  C C   . GLU A 162 ? 1.14344 1.26580 1.01116 -0.00827 0.13903  0.35332  757 GLU A C   
941  O O   . GLU A 162 ? 1.10132 1.23516 1.07125 -0.03890 0.11147  0.36415  757 GLU A O   
942  C CB  . GLU A 162 ? 1.21712 1.38358 1.05131 0.03522  0.22208  0.35805  757 GLU A CB  
943  C CG  . GLU A 162 ? 1.29319 1.44134 1.01680 0.07189  0.23757  0.32006  757 GLU A CG  
944  C CD  . GLU A 162 ? 1.29579 1.45915 1.06968 0.06111  0.22336  0.27515  757 GLU A CD  
945  O OE1 . GLU A 162 ? 1.21200 1.41219 1.10579 0.03523  0.22421  0.28828  757 GLU A OE1 
946  O OE2 . GLU A 162 ? 1.34106 1.47680 1.03726 0.07926  0.20777  0.22761  757 GLU A OE2 
947  N N   . GLY A 163 ? 1.14104 1.23252 0.89790 0.01789  0.15165  0.36951  758 GLY A N   
948  C CA  . GLY A 163 ? 1.12963 1.20544 0.88323 0.01132  0.14373  0.41198  758 GLY A CA  
949  C C   . GLY A 163 ? 1.08749 1.13288 0.86569 -0.01630 0.07912  0.38188  758 GLY A C   
950  O O   . GLY A 163 ? 1.14463 1.16671 0.90072 -0.01855 0.06537  0.40949  758 GLY A O   
951  N N   . VAL A 164 ? 1.07525 1.11970 0.89522 -0.03449 0.04057  0.32795  759 VAL A N   
952  C CA  . VAL A 164 ? 1.05761 1.07917 0.90977 -0.05754 -0.01631 0.30036  759 VAL A CA  
953  C C   . VAL A 164 ? 1.09117 1.06633 0.83941 -0.04233 -0.04587 0.25867  759 VAL A C   
954  O O   . VAL A 164 ? 1.03346 0.98845 0.79951 -0.05689 -0.09200 0.22973  759 VAL A O   
955  C CB  . VAL A 164 ? 0.93508 0.98003 0.88584 -0.08014 -0.04095 0.26740  759 VAL A CB  
956  C CG1 . VAL A 164 ? 0.93166 1.01882 0.98615 -0.09137 -0.01541 0.30453  759 VAL A CG1 
957  C CG2 . VAL A 164 ? 0.86463 0.90608 0.77185 -0.06919 -0.04360 0.21539  759 VAL A CG2 
958  N N   . SER A 165 ? 1.23414 1.19074 0.87741 -0.01065 -0.02207 0.25486  760 SER A N   
959  C CA  . SER A 165 ? 1.26813 1.17993 0.82583 0.00501  -0.05634 0.20763  760 SER A CA  
960  C C   . SER A 165 ? 1.30329 1.16964 0.81215 0.00645  -0.09324 0.21296  760 SER A C   
961  O O   . SER A 165 ? 1.33493 1.19409 0.81730 0.01311  -0.07720 0.25871  760 SER A O   
962  C CB  . SER A 165 ? 1.31100 1.20891 0.76741 0.04336  -0.02746 0.19842  760 SER A CB  
963  O OG  . SER A 165 ? 1.34351 1.19481 0.72985 0.05828  -0.06871 0.15025  760 SER A OG  
964  N N   . THR A 166 ? 0.99526 0.98021 1.14318 -0.21043 0.11641  -0.20221 761 THR A N   
965  C CA  . THR A 166 ? 0.98317 0.92789 1.12044 -0.19765 0.10396  -0.20820 761 THR A CA  
966  C C   . THR A 166 ? 0.93389 0.86746 1.04280 -0.18018 0.08451  -0.23049 761 THR A C   
967  O O   . THR A 166 ? 0.95595 0.85666 1.01117 -0.17882 0.08291  -0.23462 761 THR A O   
968  C CB  . THR A 166 ? 0.95335 0.89664 1.16340 -0.18848 0.08789  -0.20095 761 THR A CB  
969  O OG1 . THR A 166 ? 0.82389 0.79692 1.06403 -0.20834 0.10559  -0.17947 761 THR A OG1 
970  C CG2 . THR A 166 ? 0.93281 0.84108 1.13194 -0.17704 0.08008  -0.20786 761 THR A CG2 
971  N N   . THR A 167 ? 0.94171 0.90392 1.08473 -0.16638 0.06681  -0.24626 762 THR A N   
972  C CA  . THR A 167 ? 0.91910 0.89001 1.03336 -0.15050 0.05067  -0.27315 762 THR A CA  
973  C C   . THR A 167 ? 0.96574 0.94089 0.98932 -0.17127 0.07312  -0.27339 762 THR A C   
974  O O   . THR A 167 ? 0.97935 0.93650 0.95417 -0.16778 0.06512  -0.28100 762 THR A O   
975  C CB  . THR A 167 ? 0.91763 0.93129 1.07900 -0.13444 0.03121  -0.29548 762 THR A CB  
976  O OG1 . THR A 167 ? 0.92839 0.92956 1.17300 -0.12168 0.00705  -0.28885 762 THR A OG1 
977  C CG2 . THR A 167 ? 1.00928 1.04453 1.14920 -0.11412 0.01186  -0.33020 762 THR A CG2 
978  N N   . ASP A 168 ? 0.96775 0.96748 0.96613 -0.19576 0.09999  -0.26353 763 ASP A N   
979  C CA  . ASP A 168 ? 0.94943 0.96159 0.86458 -0.22145 0.12067  -0.26408 763 ASP A CA  
980  C C   . ASP A 168 ? 0.99164 0.94453 0.84817 -0.24085 0.13121  -0.24145 763 ASP A C   
981  O O   . ASP A 168 ? 1.00314 0.94844 0.78393 -0.26240 0.13828  -0.23852 763 ASP A O   
982  C CB  . ASP A 168 ? 0.99680 1.05959 0.90855 -0.24075 0.14418  -0.26504 763 ASP A CB  
983  C CG  . ASP A 168 ? 0.98588 1.09028 0.97294 -0.21813 0.12828  -0.28111 763 ASP A CG  
984  O OD1 . ASP A 168 ? 0.94397 1.07518 0.95514 -0.19383 0.10334  -0.30967 763 ASP A OD1 
985  O OD2 . ASP A 168 ? 0.96981 1.08100 0.99025 -0.22473 0.13814  -0.26626 763 ASP A OD2 
986  N N   . LEU A 169 ? 1.01242 0.92553 0.90201 -0.23486 0.12977  -0.22653 764 LEU A N   
987  C CA  . LEU A 169 ? 0.97749 0.83080 0.81817 -0.24589 0.13149  -0.21213 764 LEU A CA  
988  C C   . LEU A 169 ? 1.03443 0.84237 0.84908 -0.22836 0.10409  -0.21760 764 LEU A C   
989  O O   . LEU A 169 ? 1.12486 0.87941 0.87592 -0.24045 0.09937  -0.20680 764 LEU A O   
990  C CB  . LEU A 169 ? 1.02667 0.86752 0.91485 -0.24261 0.13814  -0.20219 764 LEU A CB  
991  C CG  . LEU A 169 ? 0.97059 0.85922 0.88757 -0.25879 0.16366  -0.19477 764 LEU A CG  
992  C CD1 . LEU A 169 ? 0.92794 0.80894 0.87418 -0.26090 0.17254  -0.18581 764 LEU A CD1 
993  C CD2 . LEU A 169 ? 0.96469 0.87222 0.82074 -0.28768 0.18573  -0.19274 764 LEU A CD2 
994  N N   . ILE A 170 ? 1.01821 0.84304 0.87898 -0.20027 0.08257  -0.23427 765 ILE A N   
995  C CA  . ILE A 170 ? 1.07187 0.86395 0.90091 -0.18399 0.05669  -0.24234 765 ILE A CA  
996  C C   . ILE A 170 ? 1.15213 0.96370 0.90227 -0.20387 0.06044  -0.24447 765 ILE A C   
997  O O   . ILE A 170 ? 1.20933 0.97707 0.88898 -0.21300 0.04919  -0.23444 765 ILE A O   
998  C CB  . ILE A 170 ? 0.98817 0.79857 0.89225 -0.14887 0.03193  -0.26297 765 ILE A CB  
999  C CG1 . ILE A 170 ? 0.98036 0.79483 0.96709 -0.14065 0.03424  -0.25792 765 ILE A CG1 
1000 C CG2 . ILE A 170 ? 0.94093 0.71146 0.81984 -0.12795 0.00356  -0.27132 765 ILE A CG2 
1001 C CD1 . ILE A 170 ? 0.97868 0.75189 0.95468 -0.14758 0.04157  -0.24336 765 ILE A CD1 
1002 N N   . VAL A 171 ? 1.05789 0.93923 0.81800 -0.21177 0.07404  -0.25819 766 VAL A N   
1003 C CA  . VAL A 171 ? 1.13405 1.05504 0.82043 -0.23608 0.08223  -0.26339 766 VAL A CA  
1004 C C   . VAL A 171 ? 1.22303 1.09972 0.82394 -0.27750 0.09831  -0.23368 766 VAL A C   
1005 O O   . VAL A 171 ? 1.27961 1.14845 0.80022 -0.30063 0.09409  -0.22475 766 VAL A O   
1006 C CB  . VAL A 171 ? 1.03203 1.04138 0.74961 -0.23813 0.09646  -0.28685 766 VAL A CB  
1007 C CG1 . VAL A 171 ? 1.10476 1.17864 0.76704 -0.24987 0.09584  -0.30719 766 VAL A CG1 
1008 C CG2 . VAL A 171 ? 1.01950 1.04893 0.83766 -0.19909 0.07817  -0.30806 766 VAL A CG2 
1009 N N   . ARG A 172 ? 1.20699 1.05513 0.82348 -0.28944 0.11496  -0.21747 767 ARG A N   
1010 C CA  . ARG A 172 ? 1.27392 1.06781 0.81778 -0.32568 0.12434  -0.19112 767 ARG A CA  
1011 C C   . ARG A 172 ? 1.37476 1.08207 0.87367 -0.31889 0.09487  -0.17677 767 ARG A C   
1012 O O   . ARG A 172 ? 1.52099 1.19545 0.93331 -0.34923 0.08824  -0.15859 767 ARG A O   
1013 C CB  . ARG A 172 ? 1.17584 0.96026 0.75889 -0.33071 0.14348  -0.18365 767 ARG A CB  
1014 C CG  . ARG A 172 ? 1.16883 0.87951 0.69955 -0.35461 0.14304  -0.16194 767 ARG A CG  
1015 C CD  . ARG A 172 ? 1.08130 0.79699 0.66331 -0.35210 0.16041  -0.16209 767 ARG A CD  
1016 N NE  . ARG A 172 ? 0.97794 0.77077 0.58429 -0.36661 0.19023  -0.16832 767 ARG A NE  
1017 C CZ  . ARG A 172 ? 0.93832 0.74725 0.57082 -0.37546 0.21048  -0.16598 767 ARG A CZ  
1018 N NH1 . ARG A 172 ? 0.95078 0.71076 0.59053 -0.37184 0.20573  -0.16051 767 ARG A NH1 
1019 N NH2 . ARG A 172 ? 0.89344 0.77361 0.54670 -0.38583 0.23390  -0.17275 767 ARG A NH2 
1020 N N   . ILE A 173 ? 1.44253 1.11444 0.99875 -0.28025 0.07438  -0.18475 768 ILE A N   
1021 C CA  . ILE A 173 ? 1.52367 1.11682 1.04656 -0.26511 0.04122  -0.17759 768 ILE A CA  
1022 C C   . ILE A 173 ? 1.62793 1.22626 1.08919 -0.26983 0.02372  -0.17661 768 ILE A C   
1023 O O   . ILE A 173 ? 1.70532 1.23334 1.10386 -0.27324 -0.00295 -0.16099 768 ILE A O   
1024 C CB  . ILE A 173 ? 1.53459 1.11685 1.14254 -0.21980 0.02379  -0.19530 768 ILE A CB  
1025 C CG1 . ILE A 173 ? 1.50765 1.09670 1.17460 -0.21802 0.04148  -0.19609 768 ILE A CG1 
1026 C CG2 . ILE A 173 ? 1.58799 1.09398 1.16474 -0.19907 -0.01364 -0.19364 768 ILE A CG2 
1027 C CD1 . ILE A 173 ? 1.43362 1.02685 1.18513 -0.18057 0.02716  -0.21299 768 ILE A CD1 
1028 N N   . LEU A 174 ? 1.49283 1.17582 0.97199 -0.26779 0.03465  -0.19534 769 LEU A N   
1029 C CA  . LEU A 174 ? 1.50553 1.21281 0.94541 -0.26200 0.01604  -0.20436 769 LEU A CA  
1030 C C   . LEU A 174 ? 1.57178 1.32450 0.92370 -0.30880 0.03121  -0.19328 769 LEU A C   
1031 O O   . LEU A 174 ? 1.64611 1.38351 0.92423 -0.32202 0.01312  -0.18161 769 LEU A O   
1032 C CB  . LEU A 174 ? 1.34173 1.11788 0.86690 -0.22160 0.00966  -0.24123 769 LEU A CB  
1033 C CG  . LEU A 174 ? 1.30308 1.03747 0.90106 -0.17665 -0.01542 -0.25278 769 LEU A CG  
1034 C CD1 . LEU A 174 ? 1.15897 0.95557 0.82531 -0.14171 -0.02943 -0.28819 769 LEU A CD1 
1035 C CD2 . LEU A 174 ? 1.36317 1.01499 0.90518 -0.17079 -0.04372 -0.23689 769 LEU A CD2 
1036 N N   . LYS A 175 ? 1.53003 1.34207 0.88494 -0.33674 0.06333  -0.19590 770 LYS A N   
1037 C CA  . LYS A 175 ? 1.64253 1.50109 0.91141 -0.38891 0.08054  -0.18386 770 LYS A CA  
1038 C C   . LYS A 175 ? 1.80043 1.56288 0.97619 -0.43077 0.07119  -0.13932 770 LYS A C   
1039 O O   . LYS A 175 ? 1.81839 1.60175 0.91381 -0.48509 0.08454  -0.11917 770 LYS A O   
1040 C CB  . LYS A 175 ? 1.58779 1.52592 0.88696 -0.40729 0.11570  -0.19847 770 LYS A CB  
1041 N N   . ASN A 176 ? 1.93053 1.58797 1.11943 -0.40614 0.04565  -0.12545 771 ASN A N   
1042 C CA  . ASN A 176 ? 2.03301 1.58042 1.14112 -0.43359 0.02249  -0.08725 771 ASN A CA  
1043 C C   . ASN A 176 ? 2.05826 1.54670 1.12569 -0.41346 -0.01926 -0.07840 771 ASN A C   
1044 O O   . ASN A 176 ? 2.13572 1.52869 1.12463 -0.43767 -0.04634 -0.04430 771 ASN A O   
1045 C CB  . ASN A 176 ? 2.04336 1.51589 1.19633 -0.41914 0.02081  -0.08333 771 ASN A CB  
1046 C CG  . ASN A 176 ? 2.15762 1.50265 1.25100 -0.42542 -0.01752 -0.05545 771 ASN A CG  
1047 O OD1 . ASN A 176 ? 2.23570 1.52914 1.25516 -0.47311 -0.02015 -0.02520 771 ASN A OD1 
1048 N ND2 . ASN A 176 ? 2.11419 1.40597 1.24080 -0.37698 -0.05101 -0.06699 771 ASN A ND2 
1049 N N   . TYR A 177 ? 1.89475 1.43432 1.01192 -0.37040 -0.02860 -0.10806 772 TYR A N   
1050 C CA  . TYR A 177 ? 1.86390 1.35428 0.94992 -0.34581 -0.06875 -0.10436 772 TYR A CA  
1051 C C   . TYR A 177 ? 1.82407 1.38514 0.84179 -0.36839 -0.07129 -0.10310 772 TYR A C   
1052 O O   . TYR A 177 ? 1.75958 1.40299 0.74207 -0.41030 -0.04270 -0.10155 772 TYR A O   
1053 C CB  . TYR A 177 ? 1.78989 1.28577 0.98071 -0.28050 -0.08204 -0.14032 772 TYR A CB  
1054 C CG  . TYR A 177 ? 1.78831 1.17899 1.00137 -0.25015 -0.11187 -0.13503 772 TYR A CG  
1055 C CD1 . TYR A 177 ? 1.74106 1.05550 0.90383 -0.23467 -0.15524 -0.12380 772 TYR A CD1 
1056 C CD2 . TYR A 177 ? 1.80941 1.18283 1.09258 -0.23681 -0.09816 -0.14354 772 TYR A CD2 
1057 C CE1 . TYR A 177 ? 1.74086 0.96592 0.92911 -0.20212 -0.18580 -0.12655 772 TYR A CE1 
1058 C CE2 . TYR A 177 ? 1.80770 1.09991 1.11531 -0.20741 -0.12569 -0.14622 772 TYR A CE2 
1059 C CZ  . TYR A 177 ? 1.79213 1.01024 1.05392 -0.18874 -0.17018 -0.13979 772 TYR A CZ  
1060 O OH  . TYR A 177 ? 1.83055 0.97467 1.12136 -0.15532 -0.20041 -0.14956 772 TYR A OH  
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