data_8RR8
# 
_entry.id   8RR8 
# 
_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   8RR8         pdb_00008rr8 10.2210/pdb8rr8/pdb 
WWPDB D_1292136032 ?            ?                   
# 
_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       2025-01-29 
# 
_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                        8RR8 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-22 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              aengus.mac-sweeney@idorsia.com 
_pdbx_contact_author.name_first         Aengus 
_pdbx_contact_author.name_last          'Mac Sweeney' 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7250-9541 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Mac Sweeney, A.' 1 ? 
'Sager, C.'       2 ? 
# 
_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                     'Galectin-3 with a small molecule inhibitor' 
_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 'Remen, L.'       1  ? 
primary 'Zumbrunn, C.'    2  ? 
primary 'Sager, C.P.'     3  ? 
primary 'Grisostomi, C.'  4  ? 
primary 'Mac Sweeney, A.' 5  ? 
primary 'Gatfield, J.'    6  ? 
primary 'Huehn, E.'       7  ? 
primary 'Vercauteren, E.' 8  ? 
primary 'Fournier, E.'    9  ? 
primary 'Schmidt, G.'     10 ? 
primary 'Davenport, R.'   11 ? 
primary 'Iglarz, M.'      12 ? 
primary 'Nayler, O.'      13 ? 
primary 'Bolli, M.H.'     14 ? 
# 
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 Galectin-3 15701.049 1  ? ? ? ? 
2 non-polymer syn 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{R})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
544.911   1  ? ? ? ? 
3 water       nat water 18.015    58 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;Gal-3,35 kDa lectin,Carbohydrate-binding protein 35,CBP 35,Galactose-specific lectin 3,Galactoside-binding protein,GALBP,IgE-binding protein,L-31,Laminin-binding protein,Lectin L-29,Mac-2 antigen
;
# 
_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       
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_entity_poly.pdbx_seq_one_letter_code_can   
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_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 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{R})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
A1H2S 
3 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   PRO n 
1 2   LEU n 
1 3   ILE n 
1 4   VAL n 
1 5   PRO n 
1 6   TYR n 
1 7   ASN n 
1 8   LEU n 
1 9   PRO n 
1 10  LEU n 
1 11  PRO n 
1 12  GLY n 
1 13  GLY n 
1 14  VAL n 
1 15  VAL n 
1 16  PRO n 
1 17  ARG n 
1 18  MET n 
1 19  LEU n 
1 20  ILE n 
1 21  THR n 
1 22  ILE n 
1 23  LEU n 
1 24  GLY n 
1 25  THR n 
1 26  VAL n 
1 27  LYS n 
1 28  PRO n 
1 29  ASN n 
1 30  ALA n 
1 31  ASN n 
1 32  ARG n 
1 33  ILE n 
1 34  ALA n 
1 35  LEU n 
1 36  ASP n 
1 37  PHE n 
1 38  GLN n 
1 39  ARG n 
1 40  GLY n 
1 41  ASN n 
1 42  ASP n 
1 43  VAL n 
1 44  ALA n 
1 45  PHE n 
1 46  HIS n 
1 47  PHE n 
1 48  ASN n 
1 49  PRO n 
1 50  ARG n 
1 51  PHE n 
1 52  ASN n 
1 53  GLU n 
1 54  ASN n 
1 55  ASN n 
1 56  ARG n 
1 57  ARG n 
1 58  VAL n 
1 59  ILE n 
1 60  VAL n 
1 61  CYS n 
1 62  ASN n 
1 63  THR n 
1 64  LYS n 
1 65  LEU n 
1 66  ASP n 
1 67  ASN n 
1 68  ASN n 
1 69  TRP n 
1 70  GLY n 
1 71  ARG n 
1 72  GLU n 
1 73  GLU n 
1 74  ARG n 
1 75  GLN n 
1 76  SER n 
1 77  VAL n 
1 78  PHE n 
1 79  PRO n 
1 80  PHE n 
1 81  GLU n 
1 82  SER n 
1 83  GLY n 
1 84  LYS n 
1 85  PRO n 
1 86  PHE n 
1 87  LYS n 
1 88  ILE n 
1 89  GLN n 
1 90  VAL n 
1 91  LEU n 
1 92  VAL n 
1 93  GLU n 
1 94  PRO n 
1 95  ASP n 
1 96  HIS n 
1 97  PHE n 
1 98  LYS n 
1 99  VAL n 
1 100 ALA n 
1 101 VAL n 
1 102 ASN n 
1 103 ASP n 
1 104 ALA n 
1 105 HIS n 
1 106 LEU n 
1 107 LEU n 
1 108 GLN n 
1 109 TYR n 
1 110 ASN n 
1 111 HIS n 
1 112 ARG n 
1 113 VAL n 
1 114 LYS n 
1 115 LYS n 
1 116 LEU n 
1 117 ASN n 
1 118 GLU n 
1 119 ILE n 
1 120 SER n 
1 121 LYS n 
1 122 LEU n 
1 123 GLY n 
1 124 ILE n 
1 125 SER n 
1 126 GLY n 
1 127 ASP n 
1 128 ILE n 
1 129 ASP n 
1 130 LEU n 
1 131 THR n 
1 132 SER n 
1 133 ALA n 
1 134 SER n 
1 135 TYR n 
1 136 THR n 
1 137 MET n 
1 138 ILE 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                   138 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'LGALS3, MAC2' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1H2S non-polymer         . 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{R})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
;
? 'C22 H24 Cl F3 N6 O5' 544.911 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'          89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1'      175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'         132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'          133.103 
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'        121.158 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'        146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'          147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'          75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1'      156.162 
HOH   non-polymer         . WATER ? 'H2 O'                18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'         131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'         131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1'      147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'       149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'         165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'          115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'          105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'          119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'       204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'         181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'         117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   PRO 1   113 113 PRO PRO A . n 
A 1 2   LEU 2   114 114 LEU LEU A . n 
A 1 3   ILE 3   115 115 ILE ILE A . n 
A 1 4   VAL 4   116 116 VAL VAL A . n 
A 1 5   PRO 5   117 117 PRO PRO A . n 
A 1 6   TYR 6   118 118 TYR TYR A . n 
A 1 7   ASN 7   119 119 ASN ASN A . n 
A 1 8   LEU 8   120 120 LEU LEU A . n 
A 1 9   PRO 9   121 121 PRO PRO A . n 
A 1 10  LEU 10  122 122 LEU LEU A . n 
A 1 11  PRO 11  123 123 PRO PRO A . n 
A 1 12  GLY 12  124 124 GLY GLY A . n 
A 1 13  GLY 13  125 125 GLY GLY A . n 
A 1 14  VAL 14  126 126 VAL VAL A . n 
A 1 15  VAL 15  127 127 VAL VAL A . n 
A 1 16  PRO 16  128 128 PRO PRO A . n 
A 1 17  ARG 17  129 129 ARG ARG A . n 
A 1 18  MET 18  130 130 MET MET A . n 
A 1 19  LEU 19  131 131 LEU LEU A . n 
A 1 20  ILE 20  132 132 ILE ILE A . n 
A 1 21  THR 21  133 133 THR THR A . n 
A 1 22  ILE 22  134 134 ILE ILE A . n 
A 1 23  LEU 23  135 135 LEU LEU A . n 
A 1 24  GLY 24  136 136 GLY GLY A . n 
A 1 25  THR 25  137 137 THR THR A . n 
A 1 26  VAL 26  138 138 VAL VAL A . n 
A 1 27  LYS 27  139 139 LYS LYS A . n 
A 1 28  PRO 28  140 140 PRO PRO A . n 
A 1 29  ASN 29  141 141 ASN ASN A . n 
A 1 30  ALA 30  142 142 ALA ALA A . n 
A 1 31  ASN 31  143 143 ASN ASN A . n 
A 1 32  ARG 32  144 144 ARG ARG A . n 
A 1 33  ILE 33  145 145 ILE ILE A . n 
A 1 34  ALA 34  146 146 ALA ALA A . n 
A 1 35  LEU 35  147 147 LEU LEU A . n 
A 1 36  ASP 36  148 148 ASP ASP A . n 
A 1 37  PHE 37  149 149 PHE PHE A . n 
A 1 38  GLN 38  150 150 GLN GLN A . n 
A 1 39  ARG 39  151 151 ARG ARG A . n 
A 1 40  GLY 40  152 152 GLY GLY A . n 
A 1 41  ASN 41  153 153 ASN ASN A . n 
A 1 42  ASP 42  154 154 ASP ASP A . n 
A 1 43  VAL 43  155 155 VAL VAL A . n 
A 1 44  ALA 44  156 156 ALA ALA A . n 
A 1 45  PHE 45  157 157 PHE PHE A . n 
A 1 46  HIS 46  158 158 HIS HIS A . n 
A 1 47  PHE 47  159 159 PHE PHE A . n 
A 1 48  ASN 48  160 160 ASN ASN A . n 
A 1 49  PRO 49  161 161 PRO PRO A . n 
A 1 50  ARG 50  162 162 ARG ARG A . n 
A 1 51  PHE 51  163 163 PHE PHE A . n 
A 1 52  ASN 52  164 164 ASN ASN A . n 
A 1 53  GLU 53  165 165 GLU GLU A . n 
A 1 54  ASN 54  166 166 ASN ASN A . n 
A 1 55  ASN 55  167 167 ASN ASN A . n 
A 1 56  ARG 56  168 168 ARG ARG A . n 
A 1 57  ARG 57  169 169 ARG ARG A . n 
A 1 58  VAL 58  170 170 VAL VAL A . n 
A 1 59  ILE 59  171 171 ILE ILE A . n 
A 1 60  VAL 60  172 172 VAL VAL A . n 
A 1 61  CYS 61  173 173 CYS CYS A . n 
A 1 62  ASN 62  174 174 ASN ASN A . n 
A 1 63  THR 63  175 175 THR THR A . n 
A 1 64  LYS 64  176 176 LYS LYS A . n 
A 1 65  LEU 65  177 177 LEU LEU A . n 
A 1 66  ASP 66  178 178 ASP ASP A . n 
A 1 67  ASN 67  179 179 ASN ASN A . n 
A 1 68  ASN 68  180 180 ASN ASN A . n 
A 1 69  TRP 69  181 181 TRP TRP A . n 
A 1 70  GLY 70  182 182 GLY GLY A . n 
A 1 71  ARG 71  183 183 ARG ARG A . n 
A 1 72  GLU 72  184 184 GLU GLU A . n 
A 1 73  GLU 73  185 185 GLU GLU A . n 
A 1 74  ARG 74  186 186 ARG ARG A . n 
A 1 75  GLN 75  187 187 GLN GLN A . n 
A 1 76  SER 76  188 188 SER SER A . n 
A 1 77  VAL 77  189 189 VAL VAL A . n 
A 1 78  PHE 78  190 190 PHE PHE A . n 
A 1 79  PRO 79  191 191 PRO PRO A . n 
A 1 80  PHE 80  192 192 PHE PHE A . n 
A 1 81  GLU 81  193 193 GLU GLU A . n 
A 1 82  SER 82  194 194 SER SER A . n 
A 1 83  GLY 83  195 195 GLY GLY A . n 
A 1 84  LYS 84  196 196 LYS LYS A . n 
A 1 85  PRO 85  197 197 PRO PRO A . n 
A 1 86  PHE 86  198 198 PHE PHE A . n 
A 1 87  LYS 87  199 199 LYS LYS A . n 
A 1 88  ILE 88  200 200 ILE ILE A . n 
A 1 89  GLN 89  201 201 GLN GLN A . n 
A 1 90  VAL 90  202 202 VAL VAL A . n 
A 1 91  LEU 91  203 203 LEU LEU A . n 
A 1 92  VAL 92  204 204 VAL VAL A . n 
A 1 93  GLU 93  205 205 GLU GLU A . n 
A 1 94  PRO 94  206 206 PRO PRO A . n 
A 1 95  ASP 95  207 207 ASP ASP A . n 
A 1 96  HIS 96  208 208 HIS HIS A . n 
A 1 97  PHE 97  209 209 PHE PHE A . n 
A 1 98  LYS 98  210 210 LYS LYS A . n 
A 1 99  VAL 99  211 211 VAL VAL A . n 
A 1 100 ALA 100 212 212 ALA ALA A . n 
A 1 101 VAL 101 213 213 VAL VAL A . n 
A 1 102 ASN 102 214 214 ASN ASN A . n 
A 1 103 ASP 103 215 215 ASP ASP A . n 
A 1 104 ALA 104 216 216 ALA ALA A . n 
A 1 105 HIS 105 217 217 HIS HIS A . n 
A 1 106 LEU 106 218 218 LEU LEU A . n 
A 1 107 LEU 107 219 219 LEU LEU A . n 
A 1 108 GLN 108 220 220 GLN GLN A . n 
A 1 109 TYR 109 221 221 TYR TYR A . n 
A 1 110 ASN 110 222 222 ASN ASN A . n 
A 1 111 HIS 111 223 223 HIS HIS A . n 
A 1 112 ARG 112 224 224 ARG ARG A . n 
A 1 113 VAL 113 225 225 VAL VAL A . n 
A 1 114 LYS 114 226 226 LYS LYS A . n 
A 1 115 LYS 115 227 227 LYS LYS A . n 
A 1 116 LEU 116 228 228 LEU LEU A . n 
A 1 117 ASN 117 229 229 ASN ASN A . n 
A 1 118 GLU 118 230 230 GLU GLU A . n 
A 1 119 ILE 119 231 231 ILE ILE A . n 
A 1 120 SER 120 232 232 SER SER A . n 
A 1 121 LYS 121 233 233 LYS LYS A . n 
A 1 122 LEU 122 234 234 LEU LEU A . n 
A 1 123 GLY 123 235 235 GLY GLY A . n 
A 1 124 ILE 124 236 236 ILE ILE A . n 
A 1 125 SER 125 237 237 SER SER A . n 
A 1 126 GLY 126 238 238 GLY GLY A . n 
A 1 127 ASP 127 239 239 ASP ASP A . n 
A 1 128 ILE 128 240 240 ILE ILE A . n 
A 1 129 ASP 129 241 241 ASP ASP A . n 
A 1 130 LEU 130 242 242 LEU LEU A . n 
A 1 131 THR 131 243 243 THR THR A . n 
A 1 132 SER 132 244 244 SER SER A . n 
A 1 133 ALA 133 245 245 ALA ALA A . n 
A 1 134 SER 134 246 246 SER SER A . n 
A 1 135 TYR 135 247 247 TYR TYR A . n 
A 1 136 THR 136 248 248 THR THR A . n 
A 1 137 MET 137 249 249 MET MET A . n 
A 1 138 ILE 138 250 250 ILE ILE A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1H2S 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1H2S 
_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 A1H2S 1  301 301 A1H2S LIG A . 
C 3 HOH   1  401 9   HOH   HOH A . 
C 3 HOH   2  402 18  HOH   HOH A . 
C 3 HOH   3  403 47  HOH   HOH A . 
C 3 HOH   4  404 52  HOH   HOH A . 
C 3 HOH   5  405 62  HOH   HOH A . 
C 3 HOH   6  406 12  HOH   HOH A . 
C 3 HOH   7  407 15  HOH   HOH A . 
C 3 HOH   8  408 29  HOH   HOH A . 
C 3 HOH   9  409 51  HOH   HOH A . 
C 3 HOH   10 410 44  HOH   HOH A . 
C 3 HOH   11 411 14  HOH   HOH A . 
C 3 HOH   12 412 49  HOH   HOH A . 
C 3 HOH   13 413 36  HOH   HOH A . 
C 3 HOH   14 414 7   HOH   HOH A . 
C 3 HOH   15 415 16  HOH   HOH A . 
C 3 HOH   16 416 53  HOH   HOH A . 
C 3 HOH   17 417 5   HOH   HOH A . 
C 3 HOH   18 418 58  HOH   HOH A . 
C 3 HOH   19 419 45  HOH   HOH A . 
C 3 HOH   20 420 56  HOH   HOH A . 
C 3 HOH   21 421 23  HOH   HOH A . 
C 3 HOH   22 422 20  HOH   HOH A . 
C 3 HOH   23 423 21  HOH   HOH A . 
C 3 HOH   24 424 65  HOH   HOH A . 
C 3 HOH   25 425 38  HOH   HOH A . 
C 3 HOH   26 426 6   HOH   HOH A . 
C 3 HOH   27 427 33  HOH   HOH A . 
C 3 HOH   28 428 11  HOH   HOH A . 
C 3 HOH   29 429 24  HOH   HOH A . 
C 3 HOH   30 430 13  HOH   HOH A . 
C 3 HOH   31 431 4   HOH   HOH A . 
C 3 HOH   32 432 1   HOH   HOH A . 
C 3 HOH   33 433 3   HOH   HOH A . 
C 3 HOH   34 434 17  HOH   HOH A . 
C 3 HOH   35 435 66  HOH   HOH A . 
C 3 HOH   36 436 39  HOH   HOH A . 
C 3 HOH   37 437 22  HOH   HOH A . 
C 3 HOH   38 438 8   HOH   HOH A . 
C 3 HOH   39 439 32  HOH   HOH A . 
C 3 HOH   40 440 35  HOH   HOH A . 
C 3 HOH   41 441 43  HOH   HOH A . 
C 3 HOH   42 442 2   HOH   HOH A . 
C 3 HOH   43 443 67  HOH   HOH A . 
C 3 HOH   44 444 37  HOH   HOH A . 
C 3 HOH   45 445 19  HOH   HOH A . 
C 3 HOH   46 446 42  HOH   HOH A . 
C 3 HOH   47 447 27  HOH   HOH A . 
C 3 HOH   48 448 50  HOH   HOH A . 
C 3 HOH   49 449 30  HOH   HOH A . 
C 3 HOH   50 450 28  HOH   HOH A . 
C 3 HOH   51 451 46  HOH   HOH A . 
C 3 HOH   52 452 25  HOH   HOH A . 
C 3 HOH   53 453 48  HOH   HOH A . 
C 3 HOH   54 454 59  HOH   HOH A . 
C 3 HOH   55 455 40  HOH   HOH A . 
C 3 HOH   56 456 26  HOH   HOH A . 
C 3 HOH   57 457 34  HOH   HOH A . 
C 3 HOH   58 458 41  HOH   HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0419 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XSCALE   ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8RR8 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     34.500 
_cell.length_a_esd                 ? 
_cell.length_b                     57.340 
_cell.length_b_esd                 ? 
_cell.length_c                     61.950 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8RR8 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8RR8 
_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             1.95 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          36.97 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_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    '2.1 M DL-Malic acid pH 7.0' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 2M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-05-05 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.00 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SLS BEAMLINE X06DA' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.00 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   X06DA 
_diffrn_source.pdbx_synchrotron_site       SLS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8RR8 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.50 
_reflns.d_resolution_low                               42.081 
_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                                     37873 
_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                           99.7 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.46 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          8.66 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.081 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.998 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.50 
_reflns_shell.d_res_low                                     1.59 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.65 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             6110 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               2.02 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.257 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -2.415 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            3.498 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -1.083 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               25.620 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.976 
_refine.correlation_coeff_Fo_to_Fc_free          0.968 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8RR8 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.500 
_refine.ls_d_res_low                             30.994 
_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                     20294 
_refine.ls_number_reflns_R_free                  1038 
_refine.ls_number_reflns_R_work                  19256 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.926 
_refine.ls_percent_reflns_R_free                 5.115 
_refine.ls_R_factor_all                          0.168 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2163 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1660 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.098 
_refine.pdbx_overall_ESU_R_Free                  0.083 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             5.818 
_refine.overall_SU_ML                            0.088 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1108 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         37 
_refine_hist.number_atoms_solvent             58 
_refine_hist.number_atoms_total               1203 
_refine_hist.d_res_high                       1.500 
_refine_hist.d_res_low                        30.994 
# 
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' ? 0.009  0.012  1206 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1144 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.653  1.850  1647 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.585  1.763  2634 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.737  5.000  144  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 5.552  5.000  9    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.284 10.000 196  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.570 10.000 57   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.079  0.200  175  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 1.685  0.200  8    ? r_chiral_restr_other           ? ? 
'X-RAY DIFFRACTION' ? 0.008  0.020  1428 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.020  286  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.195  0.200  148  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.195  0.200  1005 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.166  0.200  559  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.083  0.200  631  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.134  0.200  45   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.166  0.200  11   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.187  0.200  51   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.132  0.200  7    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 7.222  2.393  570  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 7.203  2.392  570  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 9.355  4.317  716  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 9.356  4.319  717  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 9.385  2.791  636  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 9.378  2.791  637  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 12.931 4.970  931  ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 12.924 4.969  932  ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 15.736 27.199 1206 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 15.587 26.706 1200 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.230  3.000  2350 ? r_rigid_bond_restr             ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.500 1.539  1444 . 74 1368 99.8615  . 0.300 . . 0.299 . . . . . 0.292 . 20 . 0.949 0.919 0.325 
'X-RAY DIFFRACTION' 1.539 1.581  1444 . 92 1352 100.0000 . 0.317 . . 0.314 . . . . . 0.300 . 20 . 0.942 0.928 0.350 
'X-RAY DIFFRACTION' 1.581 1.627  1409 . 75 1334 100.0000 . 0.286 . . 0.282 . . . . . 0.266 . 20 . 0.951 0.941 0.342 
'X-RAY DIFFRACTION' 1.627 1.677  1341 . 63 1278 100.0000 . 0.257 . . 0.257 . . . . . 0.229 . 20 . 0.969 0.931 0.256 
'X-RAY DIFFRACTION' 1.677 1.731  1328 . 62 1266 100.0000 . 0.244 . . 0.243 . . . . . 0.213 . 20 . 0.972 0.960 0.249 
'X-RAY DIFFRACTION' 1.731 1.792  1272 . 68 1204 100.0000 . 0.199 . . 0.192 . . . . . 0.160 . 20 . 0.982 0.938 0.323 
'X-RAY DIFFRACTION' 1.792 1.859  1242 . 56 1186 100.0000 . 0.165 . . 0.163 . . . . . 0.125 . 20 . 0.989 0.982 0.217 
'X-RAY DIFFRACTION' 1.859 1.935  1190 . 63 1126 99.9160  . 0.146 . . 0.141 . . . . . 0.112 . 20 . 0.991 0.979 0.239 
'X-RAY DIFFRACTION' 1.935 2.021  1153 . 55 1098 100.0000 . 0.141 . . 0.139 . . . . . 0.112 . 20 . 0.992 0.982 0.181 
'X-RAY DIFFRACTION' 2.021 2.119  1083 . 65 1016 99.8153  . 0.154 . . 0.149 . . . . . 0.122 . 20 . 0.989 0.960 0.248 
'X-RAY DIFFRACTION' 2.119 2.233  1054 . 63 991  100.0000 . 0.153 . . 0.148 . . . . . 0.127 . 20 . 0.988 0.969 0.229 
'X-RAY DIFFRACTION' 2.233 2.368  989  . 52 937  100.0000 . 0.145 . . 0.139 . . . . . 0.123 . 20 . 0.989 0.947 0.288 
'X-RAY DIFFRACTION' 2.368 2.530  937  . 58 878  99.8933  . 0.153 . . 0.146 . . . . . 0.131 . 20 . 0.990 0.959 0.282 
'X-RAY DIFFRACTION' 2.530 2.731  888  . 35 851  99.7748  . 0.155 . . 0.153 . . . . . 0.140 . 20 . 0.988 0.977 0.205 
'X-RAY DIFFRACTION' 2.731 2.990  804  . 28 776  100.0000 . 0.174 . . 0.171 . . . . . 0.166 . 20 . 0.982 0.961 0.246 
'X-RAY DIFFRACTION' 2.990 3.339  743  . 33 710  100.0000 . 0.153 . . 0.154 . . . . . 0.159 . 20 . 0.984 0.986 0.139 
'X-RAY DIFFRACTION' 3.339 3.848  666  . 47 618  99.8499  . 0.149 . . 0.144 . . . . . 0.154 . 20 . 0.987 0.974 0.207 
'X-RAY DIFFRACTION' 3.848 4.694  569  . 22 544  99.4728  . 0.135 . . 0.137 . . . . . 0.156 . 20 . 0.988 0.993 0.102 
'X-RAY DIFFRACTION' 4.694 6.564  460  . 16 444  100.0000 . 0.161 . . 0.159 . . . . . 0.197 . 20 . 0.986 0.966 0.198 
'X-RAY DIFFRACTION' 6.564 30.994 290  . 11 279  100.0000 . 0.221 . . 0.219 . . . . . 0.249 . 20 . 0.973 0.966 0.269 
# 
_struct.entry_id                     8RR8 
_struct.title                        'Galectin-3 with a small molecule inhibitor' 
_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        8RR8 
_struct_keywords.text            'Inhibitor, SUGAR BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'SUGAR BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    LEG3_HUMAN 
_struct_ref.pdbx_db_accession          P17931 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_struct_ref.pdbx_align_begin           113 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8RR8 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 138 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P17931 
_struct_ref_seq.db_align_beg                  113 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  250 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       113 
_struct_ref_seq.pdbx_auth_seq_align_end       250 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 690  ? 
1 MORE         -1   ? 
1 'SSA (A^2)'  7350 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       LYS 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        115 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       ILE 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        119 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        LYS 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         227 
_struct_conf.end_auth_comp_id        ILE 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         231 
_struct_conf.pdbx_PDB_helix_class    5 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   5 
# 
_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          VAL 
_struct_mon_prot_cis.label_seq_id           4 
_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           VAL 
_struct_mon_prot_cis.auth_seq_id            116 
_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    5 
_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     117 
_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       -2.09 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 6 ? 
AA3 ? 5 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
# 
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 TYR A 6   ? PRO A 9   ? TYR A 118 PRO A 121 
AA1 2 LYS A 121 ? GLY A 126 ? LYS A 233 GLY A 238 
AA1 3 ILE A 33  ? ARG A 39  ? ILE A 145 ARG A 151 
AA1 4 ASP A 42  ? GLU A 53  ? ASP A 154 GLU A 165 
AA1 5 ARG A 56  ? LEU A 65  ? ARG A 168 LEU A 177 
AA1 6 ASN A 68  ? TRP A 69  ? ASN A 180 TRP A 181 
AA2 1 TYR A 6   ? PRO A 9   ? TYR A 118 PRO A 121 
AA2 2 LYS A 121 ? GLY A 126 ? LYS A 233 GLY A 238 
AA2 3 ILE A 33  ? ARG A 39  ? ILE A 145 ARG A 151 
AA2 4 ASP A 42  ? GLU A 53  ? ASP A 154 GLU A 165 
AA2 5 ARG A 56  ? LEU A 65  ? ARG A 168 LEU A 177 
AA2 6 GLU A 73  ? GLN A 75  ? GLU A 185 GLN A 187 
AA3 1 ALA A 104 ? ASN A 110 ? ALA A 216 ASN A 222 
AA3 2 HIS A 96  ? VAL A 101 ? HIS A 208 VAL A 213 
AA3 3 PRO A 85  ? VAL A 92  ? PRO A 197 VAL A 204 
AA3 4 MET A 18  ? VAL A 26  ? MET A 130 VAL A 138 
AA3 5 ILE A 128 ? MET A 137 ? ILE A 240 MET A 249 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N LEU A 8   ? N LEU A 120 O LEU A 122 ? O LEU A 234 
AA1 2 3 O GLY A 123 ? O GLY A 235 N ASP A 36  ? N ASP A 148 
AA1 3 4 N PHE A 37  ? N PHE A 149 O PHE A 45  ? O PHE A 157 
AA1 4 5 N ARG A 50  ? N ARG A 162 O VAL A 58  ? O VAL A 170 
AA1 5 6 N LEU A 65  ? N LEU A 177 O ASN A 68  ? O ASN A 180 
AA2 1 2 N LEU A 8   ? N LEU A 120 O LEU A 122 ? O LEU A 234 
AA2 2 3 O GLY A 123 ? O GLY A 235 N ASP A 36  ? N ASP A 148 
AA2 3 4 N PHE A 37  ? N PHE A 149 O PHE A 45  ? O PHE A 157 
AA2 4 5 N ARG A 50  ? N ARG A 162 O VAL A 58  ? O VAL A 170 
AA2 5 6 N ILE A 59  ? N ILE A 171 O GLN A 75  ? O GLN A 187 
AA3 1 2 O LEU A 106 ? O LEU A 218 N VAL A 99  ? N VAL A 211 
AA3 2 3 O LYS A 98  ? O LYS A 210 N LEU A 91  ? N LEU A 203 
AA3 3 4 O PHE A 86  ? O PHE A 198 N GLY A 24  ? N GLY A 136 
AA3 4 5 N LEU A 19  ? N LEU A 131 O THR A 136 ? O THR A 248 
# 
_pdbx_entry_details.entry_id                   8RR8 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_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 ARG A 129 ? ? 87.80   -2.81 
2 1 ASN A 164 ? ? -151.24 75.36 
# 
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 
A1H2S N1   N  Y N 1   
A1H2S N3   N  Y N 2   
A1H2S C4   C  N N 3   
A1H2S C5   C  Y N 4   
A1H2S C6   C  Y N 5   
A1H2S C7   C  N R 6   
A1H2S C8   C  N N 7   
A1H2S C10  C  N R 8   
A1H2S C13  C  N R 9   
A1H2S C15  C  Y N 10  
A1H2S C17  C  Y N 11  
A1H2S C20  C  Y N 12  
A1H2S C21  C  Y N 13  
A1H2S C22  C  Y N 14  
A1H2S C1   C  N N 15  
A1H2S O1   O  N N 16  
A1H2S C2   C  N R 17  
A1H2S C3   C  N R 18  
A1H2S O2   O  N N 19  
A1H2S C9   C  N N 20  
A1H2S F1   F  N N 21  
A1H2S N2   N  Y N 22  
A1H2S O3   O  N N 23  
A1H2S C11  C  N R 24  
A1H2S C12  C  N N 25  
A1H2S O4   O  N N 26  
A1H2S O5   O  N N 27  
A1H2S C14  C  N S 28  
A1H2S N4   N  Y N 29  
A1H2S N5   N  Y N 30  
A1H2S N6   N  Y N 31  
A1H2S C16  C  Y N 32  
A1H2S C18  C  Y N 33  
A1H2S C19  C  Y N 34  
A1H2S CL1  CL N N 35  
A1H2S F2   F  N N 36  
A1H2S F3   F  N N 37  
A1H2S H7   H  N N 38  
A1H2S H6   H  N N 39  
A1H2S H8   H  N N 40  
A1H2S H9   H  N N 41  
A1H2S H11  H  N N 42  
A1H2S H10  H  N N 43  
A1H2S H14  H  N N 44  
A1H2S H19  H  N N 45  
A1H2S H22  H  N N 46  
A1H2S H24  H  N N 47  
A1H2S H2   H  N N 48  
A1H2S H3   H  N N 49  
A1H2S H1   H  N N 50  
A1H2S H4   H  N N 51  
A1H2S H5   H  N N 52  
A1H2S H13  H  N N 53  
A1H2S H12  H  N N 54  
A1H2S H15  H  N N 55  
A1H2S H16  H  N N 56  
A1H2S H17  H  N N 57  
A1H2S H18  H  N N 58  
A1H2S H20  H  N N 59  
A1H2S H21  H  N N 60  
A1H2S H23  H  N N 61  
ALA   N    N  N N 62  
ALA   CA   C  N S 63  
ALA   C    C  N N 64  
ALA   O    O  N N 65  
ALA   CB   C  N N 66  
ALA   OXT  O  N N 67  
ALA   H    H  N N 68  
ALA   H2   H  N N 69  
ALA   HA   H  N N 70  
ALA   HB1  H  N N 71  
ALA   HB2  H  N N 72  
ALA   HB3  H  N N 73  
ALA   HXT  H  N N 74  
ARG   N    N  N N 75  
ARG   CA   C  N S 76  
ARG   C    C  N N 77  
ARG   O    O  N N 78  
ARG   CB   C  N N 79  
ARG   CG   C  N N 80  
ARG   CD   C  N N 81  
ARG   NE   N  N N 82  
ARG   CZ   C  N N 83  
ARG   NH1  N  N N 84  
ARG   NH2  N  N N 85  
ARG   OXT  O  N N 86  
ARG   H    H  N N 87  
ARG   H2   H  N N 88  
ARG   HA   H  N N 89  
ARG   HB2  H  N N 90  
ARG   HB3  H  N N 91  
ARG   HG2  H  N N 92  
ARG   HG3  H  N N 93  
ARG   HD2  H  N N 94  
ARG   HD3  H  N N 95  
ARG   HE   H  N N 96  
ARG   HH11 H  N N 97  
ARG   HH12 H  N N 98  
ARG   HH21 H  N N 99  
ARG   HH22 H  N N 100 
ARG   HXT  H  N N 101 
ASN   N    N  N N 102 
ASN   CA   C  N S 103 
ASN   C    C  N N 104 
ASN   O    O  N N 105 
ASN   CB   C  N N 106 
ASN   CG   C  N N 107 
ASN   OD1  O  N N 108 
ASN   ND2  N  N N 109 
ASN   OXT  O  N N 110 
ASN   H    H  N N 111 
ASN   H2   H  N N 112 
ASN   HA   H  N N 113 
ASN   HB2  H  N N 114 
ASN   HB3  H  N N 115 
ASN   HD21 H  N N 116 
ASN   HD22 H  N N 117 
ASN   HXT  H  N N 118 
ASP   N    N  N N 119 
ASP   CA   C  N S 120 
ASP   C    C  N N 121 
ASP   O    O  N N 122 
ASP   CB   C  N N 123 
ASP   CG   C  N N 124 
ASP   OD1  O  N N 125 
ASP   OD2  O  N N 126 
ASP   OXT  O  N N 127 
ASP   H    H  N N 128 
ASP   H2   H  N N 129 
ASP   HA   H  N N 130 
ASP   HB2  H  N N 131 
ASP   HB3  H  N N 132 
ASP   HD2  H  N N 133 
ASP   HXT  H  N N 134 
CYS   N    N  N N 135 
CYS   CA   C  N R 136 
CYS   C    C  N N 137 
CYS   O    O  N N 138 
CYS   CB   C  N N 139 
CYS   SG   S  N N 140 
CYS   OXT  O  N N 141 
CYS   H    H  N N 142 
CYS   H2   H  N N 143 
CYS   HA   H  N N 144 
CYS   HB2  H  N N 145 
CYS   HB3  H  N N 146 
CYS   HG   H  N N 147 
CYS   HXT  H  N N 148 
GLN   N    N  N N 149 
GLN   CA   C  N S 150 
GLN   C    C  N N 151 
GLN   O    O  N N 152 
GLN   CB   C  N N 153 
GLN   CG   C  N N 154 
GLN   CD   C  N N 155 
GLN   OE1  O  N N 156 
GLN   NE2  N  N N 157 
GLN   OXT  O  N N 158 
GLN   H    H  N N 159 
GLN   H2   H  N N 160 
GLN   HA   H  N N 161 
GLN   HB2  H  N N 162 
GLN   HB3  H  N N 163 
GLN   HG2  H  N N 164 
GLN   HG3  H  N N 165 
GLN   HE21 H  N N 166 
GLN   HE22 H  N N 167 
GLN   HXT  H  N N 168 
GLU   N    N  N N 169 
GLU   CA   C  N S 170 
GLU   C    C  N N 171 
GLU   O    O  N N 172 
GLU   CB   C  N N 173 
GLU   CG   C  N N 174 
GLU   CD   C  N N 175 
GLU   OE1  O  N N 176 
GLU   OE2  O  N N 177 
GLU   OXT  O  N N 178 
GLU   H    H  N N 179 
GLU   H2   H  N N 180 
GLU   HA   H  N N 181 
GLU   HB2  H  N N 182 
GLU   HB3  H  N N 183 
GLU   HG2  H  N N 184 
GLU   HG3  H  N N 185 
GLU   HE2  H  N N 186 
GLU   HXT  H  N N 187 
GLY   N    N  N N 188 
GLY   CA   C  N N 189 
GLY   C    C  N N 190 
GLY   O    O  N N 191 
GLY   OXT  O  N N 192 
GLY   H    H  N N 193 
GLY   H2   H  N N 194 
GLY   HA2  H  N N 195 
GLY   HA3  H  N N 196 
GLY   HXT  H  N N 197 
HIS   N    N  N N 198 
HIS   CA   C  N S 199 
HIS   C    C  N N 200 
HIS   O    O  N N 201 
HIS   CB   C  N N 202 
HIS   CG   C  Y N 203 
HIS   ND1  N  Y N 204 
HIS   CD2  C  Y N 205 
HIS   CE1  C  Y N 206 
HIS   NE2  N  Y N 207 
HIS   OXT  O  N N 208 
HIS   H    H  N N 209 
HIS   H2   H  N N 210 
HIS   HA   H  N N 211 
HIS   HB2  H  N N 212 
HIS   HB3  H  N N 213 
HIS   HD1  H  N N 214 
HIS   HD2  H  N N 215 
HIS   HE1  H  N N 216 
HIS   HE2  H  N N 217 
HIS   HXT  H  N N 218 
HOH   O    O  N N 219 
HOH   H1   H  N N 220 
HOH   H2   H  N N 221 
ILE   N    N  N N 222 
ILE   CA   C  N S 223 
ILE   C    C  N N 224 
ILE   O    O  N N 225 
ILE   CB   C  N S 226 
ILE   CG1  C  N N 227 
ILE   CG2  C  N N 228 
ILE   CD1  C  N N 229 
ILE   OXT  O  N N 230 
ILE   H    H  N N 231 
ILE   H2   H  N N 232 
ILE   HA   H  N N 233 
ILE   HB   H  N N 234 
ILE   HG12 H  N N 235 
ILE   HG13 H  N N 236 
ILE   HG21 H  N N 237 
ILE   HG22 H  N N 238 
ILE   HG23 H  N N 239 
ILE   HD11 H  N N 240 
ILE   HD12 H  N N 241 
ILE   HD13 H  N N 242 
ILE   HXT  H  N N 243 
LEU   N    N  N N 244 
LEU   CA   C  N S 245 
LEU   C    C  N N 246 
LEU   O    O  N N 247 
LEU   CB   C  N N 248 
LEU   CG   C  N N 249 
LEU   CD1  C  N N 250 
LEU   CD2  C  N N 251 
LEU   OXT  O  N N 252 
LEU   H    H  N N 253 
LEU   H2   H  N N 254 
LEU   HA   H  N N 255 
LEU   HB2  H  N N 256 
LEU   HB3  H  N N 257 
LEU   HG   H  N N 258 
LEU   HD11 H  N N 259 
LEU   HD12 H  N N 260 
LEU   HD13 H  N N 261 
LEU   HD21 H  N N 262 
LEU   HD22 H  N N 263 
LEU   HD23 H  N N 264 
LEU   HXT  H  N N 265 
LYS   N    N  N N 266 
LYS   CA   C  N S 267 
LYS   C    C  N N 268 
LYS   O    O  N N 269 
LYS   CB   C  N N 270 
LYS   CG   C  N N 271 
LYS   CD   C  N N 272 
LYS   CE   C  N N 273 
LYS   NZ   N  N N 274 
LYS   OXT  O  N N 275 
LYS   H    H  N N 276 
LYS   H2   H  N N 277 
LYS   HA   H  N N 278 
LYS   HB2  H  N N 279 
LYS   HB3  H  N N 280 
LYS   HG2  H  N N 281 
LYS   HG3  H  N N 282 
LYS   HD2  H  N N 283 
LYS   HD3  H  N N 284 
LYS   HE2  H  N N 285 
LYS   HE3  H  N N 286 
LYS   HZ1  H  N N 287 
LYS   HZ2  H  N N 288 
LYS   HZ3  H  N N 289 
LYS   HXT  H  N N 290 
MET   N    N  N N 291 
MET   CA   C  N S 292 
MET   C    C  N N 293 
MET   O    O  N N 294 
MET   CB   C  N N 295 
MET   CG   C  N N 296 
MET   SD   S  N N 297 
MET   CE   C  N N 298 
MET   OXT  O  N N 299 
MET   H    H  N N 300 
MET   H2   H  N N 301 
MET   HA   H  N N 302 
MET   HB2  H  N N 303 
MET   HB3  H  N N 304 
MET   HG2  H  N N 305 
MET   HG3  H  N N 306 
MET   HE1  H  N N 307 
MET   HE2  H  N N 308 
MET   HE3  H  N N 309 
MET   HXT  H  N N 310 
PHE   N    N  N N 311 
PHE   CA   C  N S 312 
PHE   C    C  N N 313 
PHE   O    O  N N 314 
PHE   CB   C  N N 315 
PHE   CG   C  Y N 316 
PHE   CD1  C  Y N 317 
PHE   CD2  C  Y N 318 
PHE   CE1  C  Y N 319 
PHE   CE2  C  Y N 320 
PHE   CZ   C  Y N 321 
PHE   OXT  O  N N 322 
PHE   H    H  N N 323 
PHE   H2   H  N N 324 
PHE   HA   H  N N 325 
PHE   HB2  H  N N 326 
PHE   HB3  H  N N 327 
PHE   HD1  H  N N 328 
PHE   HD2  H  N N 329 
PHE   HE1  H  N N 330 
PHE   HE2  H  N N 331 
PHE   HZ   H  N N 332 
PHE   HXT  H  N N 333 
PRO   N    N  N N 334 
PRO   CA   C  N S 335 
PRO   C    C  N N 336 
PRO   O    O  N N 337 
PRO   CB   C  N N 338 
PRO   CG   C  N N 339 
PRO   CD   C  N N 340 
PRO   OXT  O  N N 341 
PRO   H    H  N N 342 
PRO   HA   H  N N 343 
PRO   HB2  H  N N 344 
PRO   HB3  H  N N 345 
PRO   HG2  H  N N 346 
PRO   HG3  H  N N 347 
PRO   HD2  H  N N 348 
PRO   HD3  H  N N 349 
PRO   HXT  H  N N 350 
SER   N    N  N N 351 
SER   CA   C  N S 352 
SER   C    C  N N 353 
SER   O    O  N N 354 
SER   CB   C  N N 355 
SER   OG   O  N N 356 
SER   OXT  O  N N 357 
SER   H    H  N N 358 
SER   H2   H  N N 359 
SER   HA   H  N N 360 
SER   HB2  H  N N 361 
SER   HB3  H  N N 362 
SER   HG   H  N N 363 
SER   HXT  H  N N 364 
THR   N    N  N N 365 
THR   CA   C  N S 366 
THR   C    C  N N 367 
THR   O    O  N N 368 
THR   CB   C  N R 369 
THR   OG1  O  N N 370 
THR   CG2  C  N N 371 
THR   OXT  O  N N 372 
THR   H    H  N N 373 
THR   H2   H  N N 374 
THR   HA   H  N N 375 
THR   HB   H  N N 376 
THR   HG1  H  N N 377 
THR   HG21 H  N N 378 
THR   HG22 H  N N 379 
THR   HG23 H  N N 380 
THR   HXT  H  N N 381 
TRP   N    N  N N 382 
TRP   CA   C  N S 383 
TRP   C    C  N N 384 
TRP   O    O  N N 385 
TRP   CB   C  N N 386 
TRP   CG   C  Y N 387 
TRP   CD1  C  Y N 388 
TRP   CD2  C  Y N 389 
TRP   NE1  N  Y N 390 
TRP   CE2  C  Y N 391 
TRP   CE3  C  Y N 392 
TRP   CZ2  C  Y N 393 
TRP   CZ3  C  Y N 394 
TRP   CH2  C  Y N 395 
TRP   OXT  O  N N 396 
TRP   H    H  N N 397 
TRP   H2   H  N N 398 
TRP   HA   H  N N 399 
TRP   HB2  H  N N 400 
TRP   HB3  H  N N 401 
TRP   HD1  H  N N 402 
TRP   HE1  H  N N 403 
TRP   HE3  H  N N 404 
TRP   HZ2  H  N N 405 
TRP   HZ3  H  N N 406 
TRP   HH2  H  N N 407 
TRP   HXT  H  N N 408 
TYR   N    N  N N 409 
TYR   CA   C  N S 410 
TYR   C    C  N N 411 
TYR   O    O  N N 412 
TYR   CB   C  N N 413 
TYR   CG   C  Y N 414 
TYR   CD1  C  Y N 415 
TYR   CD2  C  Y N 416 
TYR   CE1  C  Y N 417 
TYR   CE2  C  Y N 418 
TYR   CZ   C  Y N 419 
TYR   OH   O  N N 420 
TYR   OXT  O  N N 421 
TYR   H    H  N N 422 
TYR   H2   H  N N 423 
TYR   HA   H  N N 424 
TYR   HB2  H  N N 425 
TYR   HB3  H  N N 426 
TYR   HD1  H  N N 427 
TYR   HD2  H  N N 428 
TYR   HE1  H  N N 429 
TYR   HE2  H  N N 430 
TYR   HH   H  N N 431 
TYR   HXT  H  N N 432 
VAL   N    N  N N 433 
VAL   CA   C  N S 434 
VAL   C    C  N N 435 
VAL   O    O  N N 436 
VAL   CB   C  N N 437 
VAL   CG1  C  N N 438 
VAL   CG2  C  N N 439 
VAL   OXT  O  N N 440 
VAL   H    H  N N 441 
VAL   H2   H  N N 442 
VAL   HA   H  N N 443 
VAL   HB   H  N N 444 
VAL   HG11 H  N N 445 
VAL   HG12 H  N N 446 
VAL   HG13 H  N N 447 
VAL   HG21 H  N N 448 
VAL   HG22 H  N N 449 
VAL   HG23 H  N N 450 
VAL   HXT  H  N N 451 
# 
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 
A1H2S N3  N2   doub Y N 1   
A1H2S N3  C5   sing Y N 2   
A1H2S N2  N1   sing Y N 3   
A1H2S C5  C4   sing N N 4   
A1H2S C5  C6   doub Y N 5   
A1H2S N1  C7   sing N N 6   
A1H2S N1  C6   sing Y N 7   
A1H2S C7  C10  sing N N 8   
A1H2S C7  C8   sing N N 9   
A1H2S C4  C3   sing N N 10  
A1H2S C10 C9   sing N N 11  
A1H2S C10 F1   sing N N 12  
A1H2S N5  N6   doub Y N 13  
A1H2S N5  N4   sing Y N 14  
A1H2S O1  C1   sing N N 15  
A1H2S O1  C2   sing N N 16  
A1H2S N6  C15  sing Y N 17  
A1H2S C9  O2   sing N N 18  
A1H2S C8  O2   sing N N 19  
A1H2S C14 N4   sing N N 20  
A1H2S C14 C2   sing N N 21  
A1H2S C14 C13  sing N N 22  
A1H2S C3  C2   sing N N 23  
A1H2S C3  O3   sing N N 24  
A1H2S N4  C22  sing Y N 25  
A1H2S C17 C18  doub Y N 26  
A1H2S C17 C16  sing Y N 27  
A1H2S C15 C22  doub Y N 28  
A1H2S C15 C16  sing N N 29  
A1H2S C11 O3   sing N N 30  
A1H2S C11 C13  sing N N 31  
A1H2S C11 C12  sing N N 32  
A1H2S C13 O5   sing N N 33  
A1H2S C18 C19  sing Y N 34  
A1H2S C16 C21  doub Y N 35  
A1H2S O4  C12  sing N N 36  
A1H2S C19 CL1  sing N N 37  
A1H2S C19 C20  doub Y N 38  
A1H2S C21 C20  sing Y N 39  
A1H2S C21 F3   sing N N 40  
A1H2S C20 F2   sing N N 41  
A1H2S C4  H7   sing N N 42  
A1H2S C4  H6   sing N N 43  
A1H2S C6  H8   sing N N 44  
A1H2S C7  H9   sing N N 45  
A1H2S C8  H11  sing N N 46  
A1H2S C8  H10  sing N N 47  
A1H2S C10 H14  sing N N 48  
A1H2S C13 H19  sing N N 49  
A1H2S C17 H22  sing N N 50  
A1H2S C22 H24  sing N N 51  
A1H2S C1  H2   sing N N 52  
A1H2S C1  H3   sing N N 53  
A1H2S C1  H1   sing N N 54  
A1H2S C2  H4   sing N N 55  
A1H2S C3  H5   sing N N 56  
A1H2S C9  H13  sing N N 57  
A1H2S C9  H12  sing N N 58  
A1H2S C11 H15  sing N N 59  
A1H2S C12 H16  sing N N 60  
A1H2S C12 H17  sing N N 61  
A1H2S O4  H18  sing N N 62  
A1H2S O5  H20  sing N N 63  
A1H2S C14 H21  sing N N 64  
A1H2S C18 H23  sing N N 65  
ALA   N   CA   sing N N 66  
ALA   N   H    sing N N 67  
ALA   N   H2   sing N N 68  
ALA   CA  C    sing N N 69  
ALA   CA  CB   sing N N 70  
ALA   CA  HA   sing N N 71  
ALA   C   O    doub N N 72  
ALA   C   OXT  sing N N 73  
ALA   CB  HB1  sing N N 74  
ALA   CB  HB2  sing N N 75  
ALA   CB  HB3  sing N N 76  
ALA   OXT HXT  sing N N 77  
ARG   N   CA   sing N N 78  
ARG   N   H    sing N N 79  
ARG   N   H2   sing N N 80  
ARG   CA  C    sing N N 81  
ARG   CA  CB   sing N N 82  
ARG   CA  HA   sing N N 83  
ARG   C   O    doub N N 84  
ARG   C   OXT  sing N N 85  
ARG   CB  CG   sing N N 86  
ARG   CB  HB2  sing N N 87  
ARG   CB  HB3  sing N N 88  
ARG   CG  CD   sing N N 89  
ARG   CG  HG2  sing N N 90  
ARG   CG  HG3  sing N N 91  
ARG   CD  NE   sing N N 92  
ARG   CD  HD2  sing N N 93  
ARG   CD  HD3  sing N N 94  
ARG   NE  CZ   sing N N 95  
ARG   NE  HE   sing N N 96  
ARG   CZ  NH1  sing N N 97  
ARG   CZ  NH2  doub N N 98  
ARG   NH1 HH11 sing N N 99  
ARG   NH1 HH12 sing N N 100 
ARG   NH2 HH21 sing N N 101 
ARG   NH2 HH22 sing N N 102 
ARG   OXT HXT  sing N N 103 
ASN   N   CA   sing N N 104 
ASN   N   H    sing N N 105 
ASN   N   H2   sing N N 106 
ASN   CA  C    sing N N 107 
ASN   CA  CB   sing N N 108 
ASN   CA  HA   sing N N 109 
ASN   C   O    doub N N 110 
ASN   C   OXT  sing N N 111 
ASN   CB  CG   sing N N 112 
ASN   CB  HB2  sing N N 113 
ASN   CB  HB3  sing N N 114 
ASN   CG  OD1  doub N N 115 
ASN   CG  ND2  sing N N 116 
ASN   ND2 HD21 sing N N 117 
ASN   ND2 HD22 sing N N 118 
ASN   OXT HXT  sing N N 119 
ASP   N   CA   sing N N 120 
ASP   N   H    sing N N 121 
ASP   N   H2   sing N N 122 
ASP   CA  C    sing N N 123 
ASP   CA  CB   sing N N 124 
ASP   CA  HA   sing N N 125 
ASP   C   O    doub N N 126 
ASP   C   OXT  sing N N 127 
ASP   CB  CG   sing N N 128 
ASP   CB  HB2  sing N N 129 
ASP   CB  HB3  sing N N 130 
ASP   CG  OD1  doub N N 131 
ASP   CG  OD2  sing N N 132 
ASP   OD2 HD2  sing N N 133 
ASP   OXT HXT  sing N N 134 
CYS   N   CA   sing N N 135 
CYS   N   H    sing N N 136 
CYS   N   H2   sing N N 137 
CYS   CA  C    sing N N 138 
CYS   CA  CB   sing N N 139 
CYS   CA  HA   sing N N 140 
CYS   C   O    doub N N 141 
CYS   C   OXT  sing N N 142 
CYS   CB  SG   sing N N 143 
CYS   CB  HB2  sing N N 144 
CYS   CB  HB3  sing N N 145 
CYS   SG  HG   sing N N 146 
CYS   OXT HXT  sing N N 147 
GLN   N   CA   sing N N 148 
GLN   N   H    sing N N 149 
GLN   N   H2   sing N N 150 
GLN   CA  C    sing N N 151 
GLN   CA  CB   sing N N 152 
GLN   CA  HA   sing N N 153 
GLN   C   O    doub N N 154 
GLN   C   OXT  sing N N 155 
GLN   CB  CG   sing N N 156 
GLN   CB  HB2  sing N N 157 
GLN   CB  HB3  sing N N 158 
GLN   CG  CD   sing N N 159 
GLN   CG  HG2  sing N N 160 
GLN   CG  HG3  sing N N 161 
GLN   CD  OE1  doub N N 162 
GLN   CD  NE2  sing N N 163 
GLN   NE2 HE21 sing N N 164 
GLN   NE2 HE22 sing N N 165 
GLN   OXT HXT  sing N N 166 
GLU   N   CA   sing N N 167 
GLU   N   H    sing N N 168 
GLU   N   H2   sing N N 169 
GLU   CA  C    sing N N 170 
GLU   CA  CB   sing N N 171 
GLU   CA  HA   sing N N 172 
GLU   C   O    doub N N 173 
GLU   C   OXT  sing N N 174 
GLU   CB  CG   sing N N 175 
GLU   CB  HB2  sing N N 176 
GLU   CB  HB3  sing N N 177 
GLU   CG  CD   sing N N 178 
GLU   CG  HG2  sing N N 179 
GLU   CG  HG3  sing N N 180 
GLU   CD  OE1  doub N N 181 
GLU   CD  OE2  sing N N 182 
GLU   OE2 HE2  sing N N 183 
GLU   OXT HXT  sing N N 184 
GLY   N   CA   sing N N 185 
GLY   N   H    sing N N 186 
GLY   N   H2   sing N N 187 
GLY   CA  C    sing N N 188 
GLY   CA  HA2  sing N N 189 
GLY   CA  HA3  sing N N 190 
GLY   C   O    doub N N 191 
GLY   C   OXT  sing N N 192 
GLY   OXT HXT  sing N N 193 
HIS   N   CA   sing N N 194 
HIS   N   H    sing N N 195 
HIS   N   H2   sing N N 196 
HIS   CA  C    sing N N 197 
HIS   CA  CB   sing N N 198 
HIS   CA  HA   sing N N 199 
HIS   C   O    doub N N 200 
HIS   C   OXT  sing N N 201 
HIS   CB  CG   sing N N 202 
HIS   CB  HB2  sing N N 203 
HIS   CB  HB3  sing N N 204 
HIS   CG  ND1  sing Y N 205 
HIS   CG  CD2  doub Y N 206 
HIS   ND1 CE1  doub Y N 207 
HIS   ND1 HD1  sing N N 208 
HIS   CD2 NE2  sing Y N 209 
HIS   CD2 HD2  sing N N 210 
HIS   CE1 NE2  sing Y N 211 
HIS   CE1 HE1  sing N N 212 
HIS   NE2 HE2  sing N N 213 
HIS   OXT HXT  sing N N 214 
HOH   O   H1   sing N N 215 
HOH   O   H2   sing N N 216 
ILE   N   CA   sing N N 217 
ILE   N   H    sing N N 218 
ILE   N   H2   sing N N 219 
ILE   CA  C    sing N N 220 
ILE   CA  CB   sing N N 221 
ILE   CA  HA   sing N N 222 
ILE   C   O    doub N N 223 
ILE   C   OXT  sing N N 224 
ILE   CB  CG1  sing N N 225 
ILE   CB  CG2  sing N N 226 
ILE   CB  HB   sing N N 227 
ILE   CG1 CD1  sing N N 228 
ILE   CG1 HG12 sing N N 229 
ILE   CG1 HG13 sing N N 230 
ILE   CG2 HG21 sing N N 231 
ILE   CG2 HG22 sing N N 232 
ILE   CG2 HG23 sing N N 233 
ILE   CD1 HD11 sing N N 234 
ILE   CD1 HD12 sing N N 235 
ILE   CD1 HD13 sing N N 236 
ILE   OXT HXT  sing N N 237 
LEU   N   CA   sing N N 238 
LEU   N   H    sing N N 239 
LEU   N   H2   sing N N 240 
LEU   CA  C    sing N N 241 
LEU   CA  CB   sing N N 242 
LEU   CA  HA   sing N N 243 
LEU   C   O    doub N N 244 
LEU   C   OXT  sing N N 245 
LEU   CB  CG   sing N N 246 
LEU   CB  HB2  sing N N 247 
LEU   CB  HB3  sing N N 248 
LEU   CG  CD1  sing N N 249 
LEU   CG  CD2  sing N N 250 
LEU   CG  HG   sing N N 251 
LEU   CD1 HD11 sing N N 252 
LEU   CD1 HD12 sing N N 253 
LEU   CD1 HD13 sing N N 254 
LEU   CD2 HD21 sing N N 255 
LEU   CD2 HD22 sing N N 256 
LEU   CD2 HD23 sing N N 257 
LEU   OXT HXT  sing N N 258 
LYS   N   CA   sing N N 259 
LYS   N   H    sing N N 260 
LYS   N   H2   sing N N 261 
LYS   CA  C    sing N N 262 
LYS   CA  CB   sing N N 263 
LYS   CA  HA   sing N N 264 
LYS   C   O    doub N N 265 
LYS   C   OXT  sing N N 266 
LYS   CB  CG   sing N N 267 
LYS   CB  HB2  sing N N 268 
LYS   CB  HB3  sing N N 269 
LYS   CG  CD   sing N N 270 
LYS   CG  HG2  sing N N 271 
LYS   CG  HG3  sing N N 272 
LYS   CD  CE   sing N N 273 
LYS   CD  HD2  sing N N 274 
LYS   CD  HD3  sing N N 275 
LYS   CE  NZ   sing N N 276 
LYS   CE  HE2  sing N N 277 
LYS   CE  HE3  sing N N 278 
LYS   NZ  HZ1  sing N N 279 
LYS   NZ  HZ2  sing N N 280 
LYS   NZ  HZ3  sing N N 281 
LYS   OXT HXT  sing N N 282 
MET   N   CA   sing N N 283 
MET   N   H    sing N N 284 
MET   N   H2   sing N N 285 
MET   CA  C    sing N N 286 
MET   CA  CB   sing N N 287 
MET   CA  HA   sing N N 288 
MET   C   O    doub N N 289 
MET   C   OXT  sing N N 290 
MET   CB  CG   sing N N 291 
MET   CB  HB2  sing N N 292 
MET   CB  HB3  sing N N 293 
MET   CG  SD   sing N N 294 
MET   CG  HG2  sing N N 295 
MET   CG  HG3  sing N N 296 
MET   SD  CE   sing N N 297 
MET   CE  HE1  sing N N 298 
MET   CE  HE2  sing N N 299 
MET   CE  HE3  sing N N 300 
MET   OXT HXT  sing N N 301 
PHE   N   CA   sing N N 302 
PHE   N   H    sing N N 303 
PHE   N   H2   sing N N 304 
PHE   CA  C    sing N N 305 
PHE   CA  CB   sing N N 306 
PHE   CA  HA   sing N N 307 
PHE   C   O    doub N N 308 
PHE   C   OXT  sing N N 309 
PHE   CB  CG   sing N N 310 
PHE   CB  HB2  sing N N 311 
PHE   CB  HB3  sing N N 312 
PHE   CG  CD1  doub Y N 313 
PHE   CG  CD2  sing Y N 314 
PHE   CD1 CE1  sing Y N 315 
PHE   CD1 HD1  sing N N 316 
PHE   CD2 CE2  doub Y N 317 
PHE   CD2 HD2  sing N N 318 
PHE   CE1 CZ   doub Y N 319 
PHE   CE1 HE1  sing N N 320 
PHE   CE2 CZ   sing Y N 321 
PHE   CE2 HE2  sing N N 322 
PHE   CZ  HZ   sing N N 323 
PHE   OXT HXT  sing N N 324 
PRO   N   CA   sing N N 325 
PRO   N   CD   sing N N 326 
PRO   N   H    sing N N 327 
PRO   CA  C    sing N N 328 
PRO   CA  CB   sing N N 329 
PRO   CA  HA   sing N N 330 
PRO   C   O    doub N N 331 
PRO   C   OXT  sing N N 332 
PRO   CB  CG   sing N N 333 
PRO   CB  HB2  sing N N 334 
PRO   CB  HB3  sing N N 335 
PRO   CG  CD   sing N N 336 
PRO   CG  HG2  sing N N 337 
PRO   CG  HG3  sing N N 338 
PRO   CD  HD2  sing N N 339 
PRO   CD  HD3  sing N N 340 
PRO   OXT HXT  sing N N 341 
SER   N   CA   sing N N 342 
SER   N   H    sing N N 343 
SER   N   H2   sing N N 344 
SER   CA  C    sing N N 345 
SER   CA  CB   sing N N 346 
SER   CA  HA   sing N N 347 
SER   C   O    doub N N 348 
SER   C   OXT  sing N N 349 
SER   CB  OG   sing N N 350 
SER   CB  HB2  sing N N 351 
SER   CB  HB3  sing N N 352 
SER   OG  HG   sing N N 353 
SER   OXT HXT  sing N N 354 
THR   N   CA   sing N N 355 
THR   N   H    sing N N 356 
THR   N   H2   sing N N 357 
THR   CA  C    sing N N 358 
THR   CA  CB   sing N N 359 
THR   CA  HA   sing N N 360 
THR   C   O    doub N N 361 
THR   C   OXT  sing N N 362 
THR   CB  OG1  sing N N 363 
THR   CB  CG2  sing N N 364 
THR   CB  HB   sing N N 365 
THR   OG1 HG1  sing N N 366 
THR   CG2 HG21 sing N N 367 
THR   CG2 HG22 sing N N 368 
THR   CG2 HG23 sing N N 369 
THR   OXT HXT  sing N N 370 
TRP   N   CA   sing N N 371 
TRP   N   H    sing N N 372 
TRP   N   H2   sing N N 373 
TRP   CA  C    sing N N 374 
TRP   CA  CB   sing N N 375 
TRP   CA  HA   sing N N 376 
TRP   C   O    doub N N 377 
TRP   C   OXT  sing N N 378 
TRP   CB  CG   sing N N 379 
TRP   CB  HB2  sing N N 380 
TRP   CB  HB3  sing N N 381 
TRP   CG  CD1  doub Y N 382 
TRP   CG  CD2  sing Y N 383 
TRP   CD1 NE1  sing Y N 384 
TRP   CD1 HD1  sing N N 385 
TRP   CD2 CE2  doub Y N 386 
TRP   CD2 CE3  sing Y N 387 
TRP   NE1 CE2  sing Y N 388 
TRP   NE1 HE1  sing N N 389 
TRP   CE2 CZ2  sing Y N 390 
TRP   CE3 CZ3  doub Y N 391 
TRP   CE3 HE3  sing N N 392 
TRP   CZ2 CH2  doub Y N 393 
TRP   CZ2 HZ2  sing N N 394 
TRP   CZ3 CH2  sing Y N 395 
TRP   CZ3 HZ3  sing N N 396 
TRP   CH2 HH2  sing N N 397 
TRP   OXT HXT  sing N N 398 
TYR   N   CA   sing N N 399 
TYR   N   H    sing N N 400 
TYR   N   H2   sing N N 401 
TYR   CA  C    sing N N 402 
TYR   CA  CB   sing N N 403 
TYR   CA  HA   sing N N 404 
TYR   C   O    doub N N 405 
TYR   C   OXT  sing N N 406 
TYR   CB  CG   sing N N 407 
TYR   CB  HB2  sing N N 408 
TYR   CB  HB3  sing N N 409 
TYR   CG  CD1  doub Y N 410 
TYR   CG  CD2  sing Y N 411 
TYR   CD1 CE1  sing Y N 412 
TYR   CD1 HD1  sing N N 413 
TYR   CD2 CE2  doub Y N 414 
TYR   CD2 HD2  sing N N 415 
TYR   CE1 CZ   doub Y N 416 
TYR   CE1 HE1  sing N N 417 
TYR   CE2 CZ   sing Y N 418 
TYR   CE2 HE2  sing N N 419 
TYR   CZ  OH   sing N N 420 
TYR   OH  HH   sing N N 421 
TYR   OXT HXT  sing N N 422 
VAL   N   CA   sing N N 423 
VAL   N   H    sing N N 424 
VAL   N   H2   sing N N 425 
VAL   CA  C    sing N N 426 
VAL   CA  CB   sing N N 427 
VAL   CA  HA   sing N N 428 
VAL   C   O    doub N N 429 
VAL   C   OXT  sing N N 430 
VAL   CB  CG1  sing N N 431 
VAL   CB  CG2  sing N N 432 
VAL   CB  HB   sing N N 433 
VAL   CG1 HG11 sing N N 434 
VAL   CG1 HG12 sing N N 435 
VAL   CG1 HG13 sing N N 436 
VAL   CG2 HG21 sing N N 437 
VAL   CG2 HG22 sing N N 438 
VAL   CG2 HG23 sing N N 439 
VAL   OXT HXT  sing N N 440 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      Other 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          'Internal structure' 
# 
_atom_sites.entry_id                    8RR8 
_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]   0.028986 
_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]   0.017440 
_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]   0.016142 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
CL 17 17 11.4601 0.0104  7.1962 1.1662  6.2554 18.5194 1.6455 47.7784 -9.3378  
F  9  9  3.5395  10.2825 2.6414 4.2944  1.5171 0.2615  1.0244 26.1476 0.3057   
H  1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030   
N  7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379 
O  8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508   
S  16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.0555   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
ATOM   1    N  N    . PRO   A 1 1   ? 6.646   2.476   10.436  1.000 41.509 0 113 PRO   A N    1 ? 
ATOM   2    C  CA   . PRO   A 1 1   ? 5.714   3.449   9.861   1.000 37.355 0 113 PRO   A CA   1 ? 
ATOM   3    C  C    . PRO   A 1 1   ? 5.805   3.648   8.343   1.000 32.687 0 113 PRO   A C    1 ? 
ATOM   4    O  O    . PRO   A 1 1   ? 6.892   3.627   7.775   1.000 32.863 0 113 PRO   A O    1 ? 
ATOM   5    C  CB   . PRO   A 1 1   ? 6.100   4.703   10.639  1.000 40.308 0 113 PRO   A CB   1 ? 
ATOM   6    C  CG   . PRO   A 1 1   ? 6.412   4.173   12.041  1.000 43.590 0 113 PRO   A CG   1 ? 
ATOM   7    C  CD   . PRO   A 1 1   ? 6.794   2.704   11.867  1.000 43.569 0 113 PRO   A CD   1 ? 
ATOM   8    H  H    . PRO   A 1 1   ? 7.035   1.854   9.988   1.000 40.894 0 113 PRO   A H    1 c 
ATOM   9    H  HA   . PRO   A 1 1   ? 4.793   3.178   10.101  1.000 37.096 0 113 PRO   A HA   1 c 
ATOM   10   H  HB2  . PRO   A 1 1   ? 6.890   5.137   10.239  1.000 40.279 0 113 PRO   A HB2  1 c 
ATOM   11   H  HB3  . PRO   A 1 1   ? 5.354   5.348   10.661  1.000 40.327 0 113 PRO   A HB3  1 c 
ATOM   12   H  HG2  . PRO   A 1 1   ? 7.154   4.672   12.441  1.000 43.020 0 113 PRO   A HG2  1 c 
ATOM   13   H  HG3  . PRO   A 1 1   ? 5.629   4.256   12.625  1.000 43.200 0 113 PRO   A HG3  1 c 
ATOM   14   H  HD2  . PRO   A 1 1   ? 7.720   2.544   12.157  1.000 43.111 0 113 PRO   A HD2  1 c 
ATOM   15   H  HD3  . PRO   A 1 1   ? 6.192   2.121   12.382  1.000 43.243 0 113 PRO   A HD3  1 c 
ATOM   16   N  N    . LEU   A 1 2   ? 4.636   3.841   7.714   1.000 28.291 0 114 LEU   A N    1 ? 
ATOM   17   C  CA   . LEU   A 1 2   ? 4.470   3.867   6.271   1.000 26.704 0 114 LEU   A CA   1 ? 
ATOM   18   C  C    . LEU   A 1 2   ? 3.747   5.152   5.899   1.000 29.442 0 114 LEU   A C    1 ? 
ATOM   19   O  O    . LEU   A 1 2   ? 3.017   5.692   6.722   1.000 33.450 0 114 LEU   A O    1 ? 
ATOM   20   C  CB   . LEU   A 1 2   ? 3.650   2.659   5.831   1.000 26.449 0 114 LEU   A CB   1 ? 
ATOM   21   C  CG   . LEU   A 1 2   ? 4.242   1.293   6.191   1.000 31.194 0 114 LEU   A CG   1 ? 
ATOM   22   C  CD1  . LEU   A 1 2   ? 3.204   0.205   5.921   1.000 30.624 0 114 LEU   A CD1  1 ? 
ATOM   23   C  CD2  . LEU   A 1 2   ? 5.545   1.016   5.434   1.000 32.170 0 114 LEU   A CD2  1 ? 
ATOM   24   H  H    . LEU   A 1 2   ? 3.893   3.968   8.231   1.000 28.844 0 114 LEU   A H    1 c 
ATOM   25   H  HA   . LEU   A 1 2   ? 5.360   3.850   5.837   1.000 27.260 0 114 LEU   A HA   1 c 
ATOM   26   H  HB2  . LEU   A 1 2   ? 2.757   2.730   6.240   1.000 27.116 0 114 LEU   A HB2  1 c 
ATOM   27   H  HB3  . LEU   A 1 2   ? 3.537   2.703   4.853   1.000 27.081 0 114 LEU   A HB3  1 c 
ATOM   28   H  HG   . LEU   A 1 2   ? 4.445   1.289   7.162   1.000 30.501 0 114 LEU   A HG   1 c 
ATOM   29   H  HD11 . LEU   A 1 2   ? 2.417   0.363   6.470   1.000 30.826 0 114 LEU   A HD11 1 c 
ATOM   30   H  HD12 . LEU   A 1 2   ? 3.581   -0.664  6.140   1.000 30.512 0 114 LEU   A HD12 1 c 
ATOM   31   H  HD13 . LEU   A 1 2   ? 2.952   0.221   4.983   1.000 30.905 0 114 LEU   A HD13 1 c 
ATOM   32   H  HD21 . LEU   A 1 2   ? 6.205   1.692   5.662   1.000 31.791 0 114 LEU   A HD21 1 c 
ATOM   33   H  HD22 . LEU   A 1 2   ? 5.376   1.040   4.477   1.000 31.932 0 114 LEU   A HD22 1 c 
ATOM   34   H  HD23 . LEU   A 1 2   ? 5.884   0.139   5.680   1.000 32.039 0 114 LEU   A HD23 1 c 
ATOM   35   N  N    . ILE   A 1 3   ? 3.918   5.608   4.660   1.000 27.639 0 115 ILE   A N    1 ? 
ATOM   36   C  CA   . ILE   A 1 3   ? 3.226   6.815   4.214   1.000 28.888 0 115 ILE   A CA   1 ? 
ATOM   37   C  C    . ILE   A 1 3   ? 2.016   6.439   3.367   1.000 26.261 0 115 ILE   A C    1 ? 
ATOM   38   O  O    . ILE   A 1 3   ? 2.158   5.712   2.369   1.000 27.764 0 115 ILE   A O    1 ? 
ATOM   39   C  CB   . ILE   A 1 3   ? 4.172   7.737   3.431   1.000 31.028 0 115 ILE   A CB   1 ? 
ATOM   40   C  CG1  . ILE   A 1 3   ? 5.454   8.008   4.208   1.000 36.160 0 115 ILE   A CG1  1 ? 
ATOM   41   C  CG2  . ILE   A 1 3   ? 3.442   9.021   3.034   1.000 33.125 0 115 ILE   A CG2  1 ? 
ATOM   42   C  CD1  . ILE   A 1 3   ? 5.239   8.643   5.572   1.000 37.997 0 115 ILE   A CD1  1 ? 
ATOM   43   H  H    . ILE   A 1 3   ? 4.474   5.171   4.081   1.000 28.211 0 115 ILE   A H    1 c 
ATOM   44   H  HA   . ILE   A 1 3   ? 2.911   7.301   5.000   1.000 28.765 0 115 ILE   A HA   1 c 
ATOM   45   H  HB   . ILE   A 1 3   ? 4.421   7.270   2.608   1.000 31.457 0 115 ILE   A HB   1 c 
ATOM   46   H  HG12 . ILE   A 1 3   ? 5.936   7.164   4.327   1.000 35.718 0 115 ILE   A HG12 1 c 
ATOM   47   H  HG13 . ILE   A 1 3   ? 6.022   8.602   3.675   1.000 35.612 0 115 ILE   A HG13 1 c 
ATOM   48   H  HG21 . ILE   A 1 3   ? 4.058   9.615   2.573   1.000 32.641 0 115 ILE   A HG21 1 c 
ATOM   49   H  HG22 . ILE   A 1 3   ? 3.103   9.463   3.830   1.000 32.855 0 115 ILE   A HG22 1 c 
ATOM   50   H  HG23 . ILE   A 1 3   ? 2.701   8.808   2.444   1.000 32.661 0 115 ILE   A HG23 1 c 
ATOM   51   H  HD11 . ILE   A 1 3   ? 4.767   9.491   5.472   1.000 37.151 0 115 ILE   A HD11 1 c 
ATOM   52   H  HD12 . ILE   A 1 3   ? 6.105   8.804   5.992   1.000 37.788 0 115 ILE   A HD12 1 c 
ATOM   53   H  HD13 . ILE   A 1 3   ? 4.714   8.045   6.137   1.000 37.710 0 115 ILE   A HD13 1 c 
ATOM   54   N  N    . VAL   A 1 4   ? 0.843   6.964   3.756   1.000 25.826 0 116 VAL   A N    1 ? 
ATOM   55   C  CA   . VAL   A 1 4   ? -0.391  6.672   3.028   1.000 26.230 0 116 VAL   A CA   1 ? 
ATOM   56   C  C    . VAL   A 1 4   ? -0.422  7.517   1.765   1.000 25.840 0 116 VAL   A C    1 ? 
ATOM   57   O  O    . VAL   A 1 4   ? 0.150   8.620   1.714   1.000 28.188 0 116 VAL   A O    1 ? 
ATOM   58   C  CB   . VAL   A 1 4   ? -1.683  6.867   3.839   1.000 30.999 0 116 VAL   A CB   1 ? 
ATOM   59   C  CG1  . VAL   A 1 4   ? -1.774  5.889   4.999   1.000 34.233 0 116 VAL   A CG1  1 ? 
ATOM   60   C  CG2  . VAL   A 1 4   ? -1.843  8.302   4.293   1.000 32.164 0 116 VAL   A CG2  1 ? 
ATOM   61   H  HA   . VAL   A 1 4   ? -0.356  5.735   2.763   1.000 26.540 0 116 VAL   A HA   1 c 
ATOM   62   H  HB   . VAL   A 1 4   ? -2.436  6.670   3.238   1.000 30.546 0 116 VAL   A HB   1 c 
ATOM   63   H  HG11 . VAL   A 1 4   ? -1.013  6.014   5.591   1.000 33.458 0 116 VAL   A HG11 1 c 
ATOM   64   H  HG12 . VAL   A 1 4   ? -1.772  4.979   4.658   1.000 33.663 0 116 VAL   A HG12 1 c 
ATOM   65   H  HG13 . VAL   A 1 4   ? -2.597  6.046   5.493   1.000 33.546 0 116 VAL   A HG13 1 c 
ATOM   66   H  HG21 . VAL   A 1 4   ? -2.648  8.383   4.830   1.000 31.804 0 116 VAL   A HG21 1 c 
ATOM   67   H  HG22 . VAL   A 1 4   ? -1.912  8.884   3.518   1.000 31.886 0 116 VAL   A HG22 1 c 
ATOM   68   H  HG23 . VAL   A 1 4   ? -1.073  8.562   4.826   1.000 32.009 0 116 VAL   A HG23 1 c 
ATOM   69   N  N    . PRO   A 1 5   ? -1.168  7.110   0.722   1.000 24.760 0 117 PRO   A N    1 ? 
ATOM   70   C  CA   . PRO   A 1 5   ? -1.943  5.869   0.675   1.000 25.341 0 117 PRO   A CA   1 ? 
ATOM   71   C  C    . PRO   A 1 5   ? -1.061  4.624   0.566   1.000 26.553 0 117 PRO   A C    1 ? 
ATOM   72   O  O    . PRO   A 1 5   ? 0.025   4.662   -0.004  1.000 27.751 0 117 PRO   A O    1 ? 
ATOM   73   C  CB   . PRO   A 1 5   ? -2.816  6.030   -0.577  1.000 27.377 0 117 PRO   A CB   1 ? 
ATOM   74   C  CG   . PRO   A 1 5   ? -2.061  7.018   -1.430  1.000 29.905 0 117 PRO   A CG   1 ? 
ATOM   75   C  CD   . PRO   A 1 5   ? -1.409  7.962   -0.450  1.000 27.127 0 117 PRO   A CD   1 ? 
ATOM   76   H  HA   . PRO   A 1 5   ? -2.517  5.810   1.474   1.000 25.689 0 117 PRO   A HA   1 c 
ATOM   77   H  HB2  . PRO   A 1 5   ? -2.923  5.169   -1.046  1.000 27.357 0 117 PRO   A HB2  1 c 
ATOM   78   H  HB3  . PRO   A 1 5   ? -3.708  6.379   -0.341  1.000 27.279 0 117 PRO   A HB3  1 c 
ATOM   79   H  HG2  . PRO   A 1 5   ? -1.385  6.562   -1.974  1.000 28.979 0 117 PRO   A HG2  1 c 
ATOM   80   H  HG3  . PRO   A 1 5   ? -2.671  7.502   -2.025  1.000 29.173 0 117 PRO   A HG3  1 c 
ATOM   81   H  HD2  . PRO   A 1 5   ? -0.567  8.319   -0.810  1.000 27.030 0 117 PRO   A HD2  1 c 
ATOM   82   H  HD3  . PRO   A 1 5   ? -2.009  8.709   -0.228  1.000 27.006 0 117 PRO   A HD3  1 c 
ATOM   83   N  N    . TYR   A 1 6   ? -1.557  3.525   1.124   1.000 22.918 0 118 TYR   A N    1 ? 
ATOM   84   C  CA   . TYR   A 1 6   ? -0.843  2.267   1.132   1.000 22.369 0 118 TYR   A CA   1 ? 
ATOM   85   C  C    . TYR   A 1 6   ? -1.808  1.160   0.725   1.000 25.445 0 118 TYR   A C    1 ? 
ATOM   86   O  O    . TYR   A 1 6   ? -2.956  1.135   1.175   1.000 26.374 0 118 TYR   A O    1 ? 
ATOM   87   C  CB   . TYR   A 1 6   ? -0.332  2.042   2.561   1.000 23.992 0 118 TYR   A CB   1 ? 
ATOM   88   C  CG   . TYR   A 1 6   ? 0.366   0.707   2.738   1.000 26.648 0 118 TYR   A CG   1 ? 
ATOM   89   C  CD1  . TYR   A 1 6   ? 1.503   0.399   2.013   1.000 31.986 0 118 TYR   A CD1  1 ? 
ATOM   90   C  CD2  . TYR   A 1 6   ? -0.164  -0.276  3.559   1.000 26.270 0 118 TYR   A CD2  1 ? 
ATOM   91   C  CE1  . TYR   A 1 6   ? 2.144   -0.827  2.164   1.000 33.915 0 118 TYR   A CE1  1 ? 
ATOM   92   C  CE2  . TYR   A 1 6   ? 0.448   -1.517  3.697   1.000 27.629 0 118 TYR   A CE2  1 ? 
ATOM   93   C  CZ   . TYR   A 1 6   ? 1.608   -1.784  3.010   1.000 28.697 0 118 TYR   A CZ   1 ? 
ATOM   94   O  OH   . TYR   A 1 6   ? 2.220   -2.980  3.170   1.000 35.434 0 118 TYR   A OH   1 ? 
ATOM   95   H  H    . TYR   A 1 6   ? -2.381  3.562   1.517   1.000 23.278 0 118 TYR   A H    1 c 
ATOM   96   H  HA   . TYR   A 1 6   ? -0.080  2.304   0.497   1.000 23.140 0 118 TYR   A HA   1 c 
ATOM   97   H  HB2  . TYR   A 1 6   ? 0.292   2.765   2.790   1.000 23.759 0 118 TYR   A HB2  1 c 
ATOM   98   H  HB3  . TYR   A 1 6   ? -1.096  2.090   3.178   1.000 24.100 0 118 TYR   A HB3  1 c 
ATOM   99   H  HD1  . TYR   A 1 6   ? 1.872   1.046   1.439   1.000 30.883 0 118 TYR   A HD1  1 c 
ATOM   100  H  HD2  . TYR   A 1 6   ? -0.953  -0.097  4.044   1.000 26.647 0 118 TYR   A HD2  1 c 
ATOM   101  H  HE1  . TYR   A 1 6   ? 2.930   -1.014  1.681   1.000 32.562 0 118 TYR   A HE1  1 c 
ATOM   102  H  HE2  . TYR   A 1 6   ? 0.090   -2.159  4.286   1.000 27.507 0 118 TYR   A HE2  1 c 
ATOM   103  H  HH   . TYR   A 1 6   ? 2.760   -2.947  3.843   0.000 37.194 0 118 TYR   A HH   1 c 
ATOM   104  N  N    . ASN   A 1 7   ? -1.315  0.240   -0.108  1.000 28.073 0 119 ASN   A N    1 ? 
ATOM   105  C  CA   . ASN   A 1 7   ? -2.054  -0.953  -0.490  1.000 29.052 0 119 ASN   A CA   1 ? 
ATOM   106  C  C    . ASN   A 1 7   ? -1.402  -2.173  0.152   1.000 28.805 0 119 ASN   A C    1 ? 
ATOM   107  O  O    . ASN   A 1 7   ? -0.255  -2.477  -0.134  1.000 32.702 0 119 ASN   A O    1 ? 
ATOM   108  C  CB   . ASN   A 1 7   ? -2.091  -1.096  -2.009  1.000 35.295 0 119 ASN   A CB   1 ? 
ATOM   109  C  CG   . ASN   A 1 7   ? -3.270  -0.353  -2.582  1.000 42.222 0 119 ASN   A CG   1 ? 
ATOM   110  O  OD1  . ASN   A 1 7   ? -3.095  0.673   -3.242  1.000 56.986 0 119 ASN   A OD1  1 ? 
ATOM   111  N  ND2  . ASN   A 1 7   ? -4.476  -0.812  -2.289  1.000 43.444 0 119 ASN   A ND2  1 ? 
ATOM   112  H  H    . ASN   A 1 7   ? -0.478  0.363   -0.454  1.000 27.686 0 119 ASN   A H    1 c 
ATOM   113  H  HA   . ASN   A 1 7   ? -2.978  -0.871  -0.168  1.000 29.509 0 119 ASN   A HA   1 c 
ATOM   114  H  HB2  . ASN   A 1 7   ? -1.264  -0.740  -2.391  1.000 34.882 0 119 ASN   A HB2  1 c 
ATOM   115  H  HB3  . ASN   A 1 7   ? -2.156  -2.043  -2.247  1.000 34.619 0 119 ASN   A HB3  1 c 
ATOM   116  H  HD21 . ASN   A 1 7   ? -4.566  -1.534  -1.782  1.000 43.043 0 119 ASN   A HD21 1 c 
ATOM   117  H  HD22 . ASN   A 1 7   ? -5.195  -0.394  -2.599  1.000 43.195 0 119 ASN   A HD22 1 c 
ATOM   118  N  N    . LEU   A 1 8   ? -2.150  -2.834  1.025   1.000 25.305 0 120 LEU   A N    1 ? 
ATOM   119  C  CA   . LEU   A 1 8   ? -1.781  -4.121  1.596   1.000 27.136 0 120 LEU   A CA   1 ? 
ATOM   120  C  C    . LEU   A 1 8   ? -2.301  -5.216  0.679   1.000 23.018 0 120 LEU   A C    1 ? 
ATOM   121  O  O    . LEU   A 1 8   ? -3.501  -5.317  0.458   1.000 23.006 0 120 LEU   A O    1 ? 
ATOM   122  C  CB   . LEU   A 1 8   ? -2.421  -4.248  2.978   1.000 26.386 0 120 LEU   A CB   1 ? 
ATOM   123  C  CG   . LEU   A 1 8   ? -2.146  -5.559  3.717   1.000 27.249 0 120 LEU   A CG   1 ? 
ATOM   124  C  CD1  . LEU   A 1 8   ? -0.690  -5.657  4.065   1.000 30.939 0 120 LEU   A CD1  1 ? 
ATOM   125  C  CD2  . LEU   A 1 8   ? -2.983  -5.670  4.976   1.000 30.622 0 120 LEU   A CD2  1 ? 
ATOM   126  H  H    . LEU   A 1 8   ? -2.940  -2.458  1.287   1.000 26.160 0 120 LEU   A H    1 c 
ATOM   127  H  HA   . LEU   A 1 8   ? -0.797  -4.174  1.670   1.000 26.337 0 120 LEU   A HA   1 c 
ATOM   128  H  HB2  . LEU   A 1 8   ? -2.100  -3.503  3.536   1.000 26.604 0 120 LEU   A HB2  1 c 
ATOM   129  H  HB3  . LEU   A 1 8   ? -3.396  -4.146  2.877   1.000 26.618 0 120 LEU   A HB3  1 c 
ATOM   130  H  HG   . LEU   A 1 8   ? -2.381  -6.314  3.119   1.000 27.714 0 120 LEU   A HG   1 c 
ATOM   131  H  HD11 . LEU   A 1 8   ? -0.158  -5.652  3.252   1.000 30.141 0 120 LEU   A HD11 1 c 
ATOM   132  H  HD12 . LEU   A 1 8   ? -0.529  -6.484  4.550   1.000 30.319 0 120 LEU   A HD12 1 c 
ATOM   133  H  HD13 . LEU   A 1 8   ? -0.437  -4.902  4.622   1.000 30.399 0 120 LEU   A HD13 1 c 
ATOM   134  H  HD21 . LEU   A 1 8   ? -3.926  -5.643  4.744   1.000 30.043 0 120 LEU   A HD21 1 c 
ATOM   135  H  HD22 . LEU   A 1 8   ? -2.776  -4.928  5.570   1.000 29.852 0 120 LEU   A HD22 1 c 
ATOM   136  H  HD23 . LEU   A 1 8   ? -2.784  -6.507  5.426   1.000 30.098 0 120 LEU   A HD23 1 c 
ATOM   137  N  N    . PRO   A 1 9   ? -1.433  -6.100  0.135   1.000 26.774 0 121 PRO   A N    1 ? 
ATOM   138  C  CA   . PRO   A 1 9   ? -1.922  -7.232  -0.641  1.000 28.120 0 121 PRO   A CA   1 ? 
ATOM   139  C  C    . PRO   A 1 9   ? -2.584  -8.244  0.289   1.000 25.668 0 121 PRO   A C    1 ? 
ATOM   140  O  O    . PRO   A 1 9   ? -2.117  -8.437  1.409   1.000 28.060 0 121 PRO   A O    1 ? 
ATOM   141  C  CB   . PRO   A 1 9   ? -0.686  -7.798  -1.360  1.000 32.086 0 121 PRO   A CB   1 ? 
ATOM   142  C  CG   . PRO   A 1 9   ? 0.519   -7.104  -0.736  1.000 32.934 0 121 PRO   A CG   1 ? 
ATOM   143  C  CD   . PRO   A 1 9   ? 0.028   -5.981  0.133   1.000 29.324 0 121 PRO   A CD   1 ? 
ATOM   144  H  HA   . PRO   A 1 9   ? -2.574  -6.908  -1.311  1.000 27.767 0 121 PRO   A HA   1 c 
ATOM   145  H  HB2  . PRO   A 1 9   ? -0.625  -8.774  -1.235  1.000 31.602 0 121 PRO   A HB2  1 c 
ATOM   146  H  HB3  . PRO   A 1 9   ? -0.730  -7.610  -2.327  1.000 31.406 0 121 PRO   A HB3  1 c 
ATOM   147  H  HG2  . PRO   A 1 9   ? 1.035   -7.741  -0.199  1.000 32.386 0 121 PRO   A HG2  1 c 
ATOM   148  H  HG3  . PRO   A 1 9   ? 1.106   -6.751  -1.437  1.000 32.296 0 121 PRO   A HG3  1 c 
ATOM   149  H  HD2  . PRO   A 1 9   ? 0.386   -6.067  1.044   1.000 29.202 0 121 PRO   A HD2  1 c 
ATOM   150  H  HD3  . PRO   A 1 9   ? 0.306   -5.112  -0.232  1.000 29.203 0 121 PRO   A HD3  1 c 
ATOM   151  N  N    . LEU   A 1 10  ? -3.659  -8.873  -0.218  1.000 23.127 0 122 LEU   A N    1 ? 
ATOM   152  C  CA   . LEU   A 1 10  ? -4.384  -9.947  0.452   1.000 25.552 0 122 LEU   A CA   1 ? 
ATOM   153  C  C    . LEU   A 1 10  ? -4.391  -11.132 -0.503  1.000 24.407 0 122 LEU   A C    1 ? 
ATOM   154  O  O    . LEU   A 1 10  ? -5.374  -11.370 -1.184  1.000 23.784 0 122 LEU   A O    1 ? 
ATOM   155  C  CB   . LEU   A 1 10  ? -5.800  -9.491  0.782   1.000 24.567 0 122 LEU   A CB   1 ? 
ATOM   156  C  CG   . LEU   A 1 10  ? -5.906  -8.209  1.618   1.000 22.779 0 122 LEU   A CG   1 ? 
ATOM   157  C  CD1  . LEU   A 1 10  ? -7.353  -7.748  1.730   1.000 24.235 0 122 LEU   A CD1  1 ? 
ATOM   158  C  CD2  . LEU   A 1 10  ? -5.304  -8.364  2.994   1.000 24.829 0 122 LEU   A CD2  1 ? 
ATOM   159  H  H    . LEU   A 1 10  ? -3.952  -8.612  -1.042  1.000 24.045 0 122 LEU   A H    1 c 
ATOM   160  H  HA   . LEU   A 1 10  ? -3.910  -10.193 1.286   1.000 24.774 0 122 LEU   A HA   1 c 
ATOM   161  H  HB2  . LEU   A 1 10  ? -6.285  -9.349  -0.064  1.000 24.433 0 122 LEU   A HB2  1 c 
ATOM   162  H  HB3  . LEU   A 1 10  ? -6.253  -10.218 1.269   1.000 24.383 0 122 LEU   A HB3  1 c 
ATOM   163  H  HG   . LEU   A 1 10  ? -5.400  -7.497  1.148   1.000 23.376 0 122 LEU   A HG   1 c 
ATOM   164  H  HD11 . LEU   A 1 10  ? -7.708  -7.572  0.842   1.000 24.044 0 122 LEU   A HD11 1 c 
ATOM   165  H  HD12 . LEU   A 1 10  ? -7.395  -6.935  2.260   1.000 23.885 0 122 LEU   A HD12 1 c 
ATOM   166  H  HD13 . LEU   A 1 10  ? -7.883  -8.440  2.158   1.000 23.778 0 122 LEU   A HD13 1 c 
ATOM   167  H  HD21 . LEU   A 1 10  ? -4.361  -8.586  2.916   1.000 24.332 0 122 LEU   A HD21 1 c 
ATOM   168  H  HD22 . LEU   A 1 10  ? -5.764  -9.074  3.472   1.000 24.538 0 122 LEU   A HD22 1 c 
ATOM   169  H  HD23 . LEU   A 1 10  ? -5.399  -7.530  3.485   1.000 24.255 0 122 LEU   A HD23 1 c 
ATOM   170  N  N    . PRO   A 1 11  ? -3.265  -11.869 -0.637  1.000 27.584 0 123 PRO   A N    1 ? 
ATOM   171  C  CA   . PRO   A 1 11  ? -3.112  -12.818 -1.740  1.000 24.426 0 123 PRO   A CA   1 ? 
ATOM   172  C  C    . PRO   A 1 11  ? -4.089  -13.986 -1.659  1.000 24.276 0 123 PRO   A C    1 ? 
ATOM   173  O  O    . PRO   A 1 11  ? -4.217  -14.595 -0.655  1.000 30.151 0 123 PRO   A O    1 ? 
ATOM   174  C  CB   . PRO   A 1 11  ? -1.648  -13.267 -1.660  1.000 27.028 0 123 PRO   A CB   1 ? 
ATOM   175  C  CG   . PRO   A 1 11  ? -0.984  -12.277 -0.721  1.000 27.490 0 123 PRO   A CG   1 ? 
ATOM   176  C  CD   . PRO   A 1 11  ? -2.062  -11.737 0.189   1.000 27.101 0 123 PRO   A CD   1 ? 
ATOM   177  H  HA   . PRO   A 1 11  ? -3.252  -12.330 -2.589  1.000 25.124 0 123 PRO   A HA   1 c 
ATOM   178  H  HB2  . PRO   A 1 11  ? -1.580  -14.184 -1.304  1.000 26.524 0 123 PRO   A HB2  1 c 
ATOM   179  H  HB3  . PRO   A 1 11  ? -1.224  -13.240 -2.549  1.000 26.749 0 123 PRO   A HB3  1 c 
ATOM   180  H  HG2  . PRO   A 1 11  ? -0.285  -12.716 -0.194  1.000 27.462 0 123 PRO   A HG2  1 c 
ATOM   181  H  HG3  . PRO   A 1 11  ? -0.575  -11.546 -1.229  1.000 27.377 0 123 PRO   A HG3  1 c 
ATOM   182  H  HD2  . PRO   A 1 11  ? -2.133  -12.270 1.011   1.000 27.275 0 123 PRO   A HD2  1 c 
ATOM   183  H  HD3  . PRO   A 1 11  ? -1.885  -10.802 0.423   1.000 27.079 0 123 PRO   A HD3  1 c 
ATOM   184  N  N    . GLY   A 1 12  ? -4.822  -14.292 -2.702  1.000 22.409 0 124 GLY   A N    1 ? 
ATOM   185  C  CA   . GLY   A 1 12  ? -5.867  -15.302 -2.586  1.000 24.535 0 124 GLY   A CA   1 ? 
ATOM   186  C  C    . GLY   A 1 12  ? -7.140  -14.758 -1.958  1.000 25.581 0 124 GLY   A C    1 ? 
ATOM   187  O  O    . GLY   A 1 12  ? -8.089  -15.513 -1.749  1.000 26.791 0 124 GLY   A O    1 ? 
ATOM   188  H  H    . GLY   A 1 12  ? -4.691  -13.868 -3.501  1.000 23.099 0 124 GLY   A H    1 c 
ATOM   189  H  HA2  . GLY   A 1 12  ? -6.072  -15.652 -3.484  1.000 24.376 0 124 GLY   A HA2  1 c 
ATOM   190  H  HA3  . GLY   A 1 12  ? -5.532  -16.053 -2.042  1.000 23.939 0 124 GLY   A HA3  1 c 
ATOM   191  N  N    . GLY   A 1 13  ? -7.165  -13.444 -1.692  1.000 25.117 0 125 GLY   A N    1 ? 
ATOM   192  C  CA   . GLY   A 1 13  ? -8.316  -12.810 -1.088  1.000 24.428 0 125 GLY   A CA   1 ? 
ATOM   193  C  C    . GLY   A 1 13  ? -8.402  -13.098 0.412   1.000 22.390 0 125 GLY   A C    1 ? 
ATOM   194  O  O    . GLY   A 1 13  ? -7.429  -13.521 1.061   1.000 28.961 0 125 GLY   A O    1 ? 
ATOM   195  H  H    . GLY   A 1 13  ? -6.444  -12.926 -1.905  1.000 25.151 0 125 GLY   A H    1 c 
ATOM   196  H  HA2  . GLY   A 1 13  ? -8.254  -11.840 -1.230  1.000 24.351 0 125 GLY   A HA2  1 c 
ATOM   197  H  HA3  . GLY   A 1 13  ? -9.133  -13.129 -1.533  1.000 24.160 0 125 GLY   A HA3  1 c 
ATOM   198  N  N    . VAL   A 1 14  ? -9.590  -12.848 0.959   1.000 20.369 0 126 VAL   A N    1 ? 
ATOM   199  C  CA   . VAL   A 1 14  ? -9.841  -13.043 2.379   1.000 21.572 0 126 VAL   A CA   1 ? 
ATOM   200  C  C    . VAL   A 1 14  ? -10.652 -14.328 2.590   1.000 21.466 0 126 VAL   A C    1 ? 
ATOM   201  O  O    . VAL   A 1 14  ? -11.199 -14.901 1.634   1.000 22.635 0 126 VAL   A O    1 ? 
ATOM   202  C  CB   . VAL   A 1 14  ? -10.519 -11.801 2.975   1.000 22.721 0 126 VAL   A CB   1 ? 
ATOM   203  C  CG1  . VAL   A 1 14  ? -9.654  -10.584 2.745   1.000 20.492 0 126 VAL   A CG1  1 ? 
ATOM   204  C  CG2  . VAL   A 1 14  ? -11.932 -11.583 2.449   1.000 21.406 0 126 VAL   A CG2  1 ? 
ATOM   205  H  H    . VAL   A 1 14  ? -10.270 -12.549 0.428   1.000 20.914 0 126 VAL   A H    1 c 
ATOM   206  H  HA   . VAL   A 1 14  ? -8.981  -13.155 2.825   1.000 21.577 0 126 VAL   A HA   1 c 
ATOM   207  H  HB   . VAL   A 1 14  ? -10.581 -11.945 3.947   1.000 21.982 0 126 VAL   A HB   1 c 
ATOM   208  H  HG11 . VAL   A 1 14  ? -9.546  -10.438 1.790   1.000 20.805 0 126 VAL   A HG11 1 c 
ATOM   209  H  HG12 . VAL   A 1 14  ? -8.783  -10.724 3.151   1.000 20.830 0 126 VAL   A HG12 1 c 
ATOM   210  H  HG13 . VAL   A 1 14  ? -10.076 -9.805  3.144   1.000 20.791 0 126 VAL   A HG13 1 c 
ATOM   211  H  HG21 . VAL   A 1 14  ? -12.294 -10.763 2.825   1.000 21.491 0 126 VAL   A HG21 1 c 
ATOM   212  H  HG22 . VAL   A 1 14  ? -12.494 -12.331 2.708   1.000 21.488 0 126 VAL   A HG22 1 c 
ATOM   213  H  HG23 . VAL   A 1 14  ? -11.913 -11.512 1.480   1.000 21.696 0 126 VAL   A HG23 1 c 
ATOM   214  N  N    . VAL   A 1 15  ? -10.684 -14.755 3.850   1.000 24.040 0 127 VAL   A N    1 ? 
ATOM   215  C  CA   . VAL   A 1 15  ? -11.321 -16.008 4.248   1.000 24.103 0 127 VAL   A CA   1 ? 
ATOM   216  C  C    . VAL   A 1 15  ? -11.815 -15.804 5.681   1.000 23.388 0 127 VAL   A C    1 ? 
ATOM   217  O  O    . VAL   A 1 15  ? -11.227 -15.028 6.451   1.000 22.256 0 127 VAL   A O    1 ? 
ATOM   218  C  CB   . VAL   A 1 15  ? -10.311 -17.171 4.077   1.000 26.140 0 127 VAL   A CB   1 ? 
ATOM   219  C  CG1  . VAL   A 1 15  ? -9.080  -17.009 4.964   1.000 24.450 0 127 VAL   A CG1  1 ? 
ATOM   220  C  CG2  . VAL   A 1 15  ? -10.943 -18.550 4.238   1.000 28.803 0 127 VAL   A CG2  1 ? 
ATOM   221  H  H    . VAL   A 1 15  ? -10.287 -14.245 4.496   1.000 23.416 0 127 VAL   A H    1 c 
ATOM   222  H  HA   . VAL   A 1 15  ? -12.087 -16.167 3.665   1.000 24.214 0 127 VAL   A HA   1 c 
ATOM   223  H  HB   . VAL   A 1 15  ? -9.987  -17.123 3.147   1.000 25.882 0 127 VAL   A HB   1 c 
ATOM   224  H  HG11 . VAL   A 1 15  ? -9.348  -17.002 5.898   1.000 24.752 0 127 VAL   A HG11 1 c 
ATOM   225  H  HG12 . VAL   A 1 15  ? -8.632  -16.174 4.749   1.000 24.651 0 127 VAL   A HG12 1 c 
ATOM   226  H  HG13 . VAL   A 1 15  ? -8.470  -17.751 4.810   1.000 24.716 0 127 VAL   A HG13 1 c 
ATOM   227  H  HG21 . VAL   A 1 15  ? -10.263 -19.235 4.115   1.000 28.317 0 127 VAL   A HG21 1 c 
ATOM   228  H  HG22 . VAL   A 1 15  ? -11.643 -18.667 3.575   1.000 28.289 0 127 VAL   A HG22 1 c 
ATOM   229  H  HG23 . VAL   A 1 15  ? -11.324 -18.631 5.129   1.000 28.316 0 127 VAL   A HG23 1 c 
ATOM   230  N  N    . PRO   A 1 16  ? -12.944 -16.418 6.084   1.000 22.954 0 128 PRO   A N    1 ? 
ATOM   231  C  CA   . PRO   A 1 16  ? -13.353 -16.399 7.495   1.000 23.329 0 128 PRO   A CA   1 ? 
ATOM   232  C  C    . PRO   A 1 16  ? -12.224 -16.794 8.458   1.000 23.369 0 128 PRO   A C    1 ? 
ATOM   233  O  O    . PRO   A 1 16  ? -11.422 -17.710 8.166   1.000 23.477 0 128 PRO   A O    1 ? 
ATOM   234  C  CB   . PRO   A 1 16  ? -14.534 -17.357 7.538   1.000 27.478 0 128 PRO   A CB   1 ? 
ATOM   235  C  CG   . PRO   A 1 16  ? -15.140 -17.156 6.174   1.000 25.023 0 128 PRO   A CG   1 ? 
ATOM   236  C  CD   . PRO   A 1 16  ? -13.929 -17.102 5.231   1.000 26.820 0 128 PRO   A CD   1 ? 
ATOM   237  H  HA   . PRO   A 1 16  ? -13.668 -15.488 7.711   1.000 23.404 0 128 PRO   A HA   1 c 
ATOM   238  H  HB2  . PRO   A 1 16  ? -14.234 -18.288 7.664   1.000 26.695 0 128 PRO   A HB2  1 c 
ATOM   239  H  HB3  . PRO   A 1 16  ? -15.168 -17.111 8.252   1.000 26.368 0 128 PRO   A HB3  1 c 
ATOM   240  H  HG2  . PRO   A 1 16  ? -15.731 -17.901 5.940   1.000 25.501 0 128 PRO   A HG2  1 c 
ATOM   241  H  HG3  . PRO   A 1 16  ? -15.649 -16.320 6.136   1.000 25.497 0 128 PRO   A HG3  1 c 
ATOM   242  H  HD2  . PRO   A 1 16  ? -13.628 -18.005 4.983   1.000 26.063 0 128 PRO   A HD2  1 c 
ATOM   243  H  HD3  . PRO   A 1 16  ? -14.131 -16.584 4.421   1.000 26.004 0 128 PRO   A HD3  1 c 
ATOM   244  N  N    . ARG   A 1 17  ? -12.153 -16.034 9.561   1.000 24.733 0 129 ARG   A N    1 ? 
ATOM   245  C  CA   . ARG   A 1 17  ? -11.151 -16.142 10.613  1.000 23.826 0 129 ARG   A CA   1 ? 
ATOM   246  C  C    . ARG   A 1 17  ? -9.897  -15.311 10.337  1.000 23.690 0 129 ARG   A C    1 ? 
ATOM   247  O  O    . ARG   A 1 17  ? -9.024  -15.287 11.195  1.000 24.144 0 129 ARG   A O    1 ? 
ATOM   248  C  CB   . ARG   A 1 17  ? -10.751 -17.592 10.908  1.000 25.051 0 129 ARG   A CB   1 ? 
ATOM   249  C  CG   . ARG   A 1 17  ? -11.891 -18.327 11.588  1.000 30.688 0 129 ARG   A CG   1 ? 
ATOM   250  C  CD   . ARG   A 1 17  ? -11.475 -19.726 12.023  1.000 34.988 0 129 ARG   A CD   1 ? 
ATOM   251  N  NE   . ARG   A 1 17  ? -11.339 -20.598 10.857  1.000 41.505 0 129 ARG   A NE   1 ? 
ATOM   252  C  CZ   . ARG   A 1 17  ? -10.431 -21.556 10.685  1.000 51.790 0 129 ARG   A CZ   1 ? 
ATOM   253  N  NH1  . ARG   A 1 17  ? -9.504  -21.796 11.598  1.000 58.204 0 129 ARG   A NH1  1 ? 
ATOM   254  N  NH2  . ARG   A 1 17  ? -10.468 -22.296 9.591   1.000 56.123 0 129 ARG   A NH2  1 ? 
ATOM   255  H  H    . ARG   A 1 17  ? -12.795 -15.391 9.660   1.000 24.552 0 129 ARG   A H    1 c 
ATOM   256  H  HA   . ARG   A 1 17  ? -11.559 -15.786 11.443  1.000 24.281 0 129 ARG   A HA   1 c 
ATOM   257  H  HB2  . ARG   A 1 17  ? -10.512 -18.052 10.077  1.000 25.263 0 129 ARG   A HB2  1 c 
ATOM   258  H  HB3  . ARG   A 1 17  ? -9.967  -17.601 11.497  1.000 25.362 0 129 ARG   A HB3  1 c 
ATOM   259  H  HG2  . ARG   A 1 17  ? -12.183 -17.819 12.376  1.000 29.992 0 129 ARG   A HG2  1 c 
ATOM   260  H  HG3  . ARG   A 1 17  ? -12.650 -18.395 10.968  1.000 30.049 0 129 ARG   A HG3  1 c 
ATOM   261  H  HD2  . ARG   A 1 17  ? -10.622 -19.673 12.499  1.000 34.933 0 129 ARG   A HD2  1 c 
ATOM   262  H  HD3  . ARG   A 1 17  ? -12.144 -20.097 12.632  1.000 34.833 0 129 ARG   A HD3  1 c 
ATOM   263  H  HE   . ARG   A 1 17  ? -11.911 -20.482 10.210  1.000 41.267 0 129 ARG   A HE   1 c 
ATOM   264  H  HH11 . ARG   A 1 17  ? -8.889  -22.412 11.443  1.000 56.403 0 129 ARG   A HH11 1 c 
ATOM   265  H  HH12 . ARG   A 1 17  ? -9.492  -21.349 12.358  1.000 56.017 0 129 ARG   A HH12 1 c 
ATOM   266  H  HH21 . ARG   A 1 17  ? -9.862  -22.928 9.465   1.000 55.115 0 129 ARG   A HH21 1 c 
ATOM   267  H  HH22 . ARG   A 1 17  ? -11.098 -22.161 8.987   1.000 54.992 0 129 ARG   A HH22 1 c 
ATOM   268  N  N    . MET   A 1 18  ? -9.810  -14.636 9.178   1.000 22.139 0 130 MET   A N    1 ? 
ATOM   269  C  CA   . MET   A 1 18  ? -8.741  -13.668 8.922   1.000 22.241 0 130 MET   A CA   1 ? 
ATOM   270  C  C    . MET   A 1 18  ? -8.997  -12.364 9.668   1.000 23.198 0 130 MET   A C    1 ? 
ATOM   271  O  O    . MET   A 1 18  ? -10.061 -11.767 9.488   1.000 24.698 0 130 MET   A O    1 ? 
ATOM   272  C  CB   . MET   A 1 18  ? -8.687  -13.311 7.436   1.000 24.142 0 130 MET   A CB   1 ? 
ATOM   273  C  CG   . MET   A 1 18  ? -7.427  -12.634 6.966   1.000 26.995 0 130 MET   A CG   1 ? 
ATOM   274  S  SD   . MET   A 1 18  ? -7.407  -12.730 5.164   1.000 33.030 0 130 MET   A SD   1 ? 
ATOM   275  C  CE   . MET   A 1 18  ? -5.966  -11.765 4.707   1.000 35.217 0 130 MET   A CE   1 ? 
ATOM   276  H  H    . MET   A 1 18  ? -10.433 -14.781 8.526   1.000 22.303 0 130 MET   A H    1 c 
ATOM   277  H  HA   . MET   A 1 18  ? -7.877  -14.056 9.213   1.000 22.769 0 130 MET   A HA   1 c 
ATOM   278  H  HB2  . MET   A 1 18  ? -8.804  -14.137 6.921   1.000 24.164 0 130 MET   A HB2  1 c 
ATOM   279  H  HB3  . MET   A 1 18  ? -9.448  -12.728 7.229   1.000 24.078 0 130 MET   A HB3  1 c 
ATOM   280  H  HG2  . MET   A 1 18  ? -7.417  -11.699 7.251   1.000 26.848 0 130 MET   A HG2  1 c 
ATOM   281  H  HG3  . MET   A 1 18  ? -6.641  -13.086 7.333   1.000 26.924 0 130 MET   A HG3  1 c 
ATOM   282  H  HE1  . MET   A 1 18  ? -5.888  -11.738 3.736   1.000 34.842 0 130 MET   A HE1  1 c 
ATOM   283  H  HE2  . MET   A 1 18  ? -6.060  -10.858 5.052   1.000 34.740 0 130 MET   A HE2  1 c 
ATOM   284  H  HE3  . MET   A 1 18  ? -5.168  -12.178 5.086   1.000 34.901 0 130 MET   A HE3  1 c 
ATOM   285  N  N    . LEU   A 1 19  ? -7.991  -11.951 10.446  1.000 22.464 0 131 LEU   A N    1 ? 
ATOM   286  C  CA   . LEU   A 1 19  ? -8.098  -10.744 11.248  1.000 23.057 0 131 LEU   A CA   1 ? 
ATOM   287  C  C    . LEU   A 1 19  ? -7.074  -9.752  10.729  1.000 24.816 0 131 LEU   A C    1 ? 
ATOM   288  O  O    . LEU   A 1 19  ? -5.888  -10.067 10.741  1.000 25.776 0 131 LEU   A O    1 ? 
ATOM   289  C  CB   . LEU   A 1 19  ? -7.805  -11.105 12.702  1.000 26.307 0 131 LEU   A CB   1 ? 
ATOM   290  C  CG   . LEU   A 1 19  ? -7.794  -9.941  13.687  1.000 29.202 0 131 LEU   A CG   1 ? 
ATOM   291  C  CD1  . LEU   A 1 19  ? -9.151  -9.240  13.701  1.000 29.155 0 131 LEU   A CD1  1 ? 
ATOM   292  C  CD2  . LEU   A 1 19  ? -7.375  -10.439 15.069  1.000 30.203 0 131 LEU   A CD2  1 ? 
ATOM   293  H  H    . LEU   A 1 19  ? -7.215  -12.433 10.477  1.000 22.847 0 131 LEU   A H    1 c 
ATOM   294  H  HA   . LEU   A 1 19  ? -9.011  -10.370 11.162  1.000 23.514 0 131 LEU   A HA   1 c 
ATOM   295  H  HB2  . LEU   A 1 19  ? -8.480  -11.758 13.000  1.000 26.054 0 131 LEU   A HB2  1 c 
ATOM   296  H  HB3  . LEU   A 1 19  ? -6.926  -11.549 12.737  1.000 26.038 0 131 LEU   A HB3  1 c 
ATOM   297  H  HG   . LEU   A 1 19  ? -7.116  -9.284  13.383  1.000 29.042 0 131 LEU   A HG   1 c 
ATOM   298  H  HD11 . LEU   A 1 19  ? -9.325  -8.847  12.830  1.000 29.060 0 131 LEU   A HD11 1 c 
ATOM   299  H  HD12 . LEU   A 1 19  ? -9.147  -8.542  14.376  1.000 29.136 0 131 LEU   A HD12 1 c 
ATOM   300  H  HD13 . LEU   A 1 19  ? -9.847  -9.886  13.910  1.000 29.026 0 131 LEU   A HD13 1 c 
ATOM   301  H  HD21 . LEU   A 1 19  ? -6.481  -10.819 15.020  1.000 30.106 0 131 LEU   A HD21 1 c 
ATOM   302  H  HD22 . LEU   A 1 19  ? -7.999  -11.118 15.373  1.000 30.000 0 131 LEU   A HD22 1 c 
ATOM   303  H  HD23 . LEU   A 1 19  ? -7.375  -9.696  15.695  1.000 30.135 0 131 LEU   A HD23 1 c 
ATOM   304  N  N    . ILE   A 1 20  ? -7.547  -8.599  10.224  1.000 23.149 0 132 ILE   A N    1 ? 
ATOM   305  C  CA   . ILE   A 1 20  ? -6.663  -7.593  9.670   1.000 23.133 0 132 ILE   A CA   1 ? 
ATOM   306  C  C    . ILE   A 1 20  ? -6.577  -6.489  10.716  1.000 21.455 0 132 ILE   A C    1 ? 
ATOM   307  O  O    . ILE   A 1 20  ? -7.620  -6.069  11.201  1.000 23.763 0 132 ILE   A O    1 ? 
ATOM   308  C  CB   . ILE   A 1 20  ? -7.187  -7.078  8.318   1.000 24.512 0 132 ILE   A CB   1 ? 
ATOM   309  C  CG1  . ILE   A 1 20  ? -7.332  -8.187  7.289   1.000 27.378 0 132 ILE   A CG1  1 ? 
ATOM   310  C  CG2  . ILE   A 1 20  ? -6.292  -5.948  7.807   1.000 28.257 0 132 ILE   A CG2  1 ? 
ATOM   311  C  CD1  . ILE   A 1 20  ? -8.749  -8.675  7.098   1.000 31.738 0 132 ILE   A CD1  1 ? 
ATOM   312  H  H    . ILE   A 1 20  ? -8.447  -8.441  10.229  1.000 23.482 0 132 ILE   A H    1 c 
ATOM   313  H  HA   . ILE   A 1 20  ? -5.779  -7.984  9.537   1.000 22.973 0 132 ILE   A HA   1 c 
ATOM   314  H  HB   . ILE   A 1 20  ? -8.077  -6.704  8.472   1.000 25.101 0 132 ILE   A HB   1 c 
ATOM   315  H  HG12 . ILE   A 1 20  ? -6.991  -7.867  6.429   1.000 27.408 0 132 ILE   A HG12 1 c 
ATOM   316  H  HG13 . ILE   A 1 20  ? -6.776  -8.945  7.565   1.000 27.359 0 132 ILE   A HG13 1 c 
ATOM   317  H  HG21 . ILE   A 1 20  ? -6.616  -5.641  6.943   1.000 27.462 0 132 ILE   A HG21 1 c 
ATOM   318  H  HG22 . ILE   A 1 20  ? -5.380  -6.272  7.711   1.000 27.412 0 132 ILE   A HG22 1 c 
ATOM   319  H  HG23 . ILE   A 1 20  ? -6.306  -5.208  8.435   1.000 27.620 0 132 ILE   A HG23 1 c 
ATOM   320  H  HD11 . ILE   A 1 20  ? -9.099  -9.010  7.945   1.000 30.718 0 132 ILE   A HD11 1 c 
ATOM   321  H  HD12 . ILE   A 1 20  ? -8.760  -9.394  6.437   1.000 30.887 0 132 ILE   A HD12 1 c 
ATOM   322  H  HD13 . ILE   A 1 20  ? -9.307  -7.939  6.784   1.000 30.551 0 132 ILE   A HD13 1 c 
ATOM   323  N  N    . THR   A 1 21  ? -5.339  -6.128  11.082  1.000 22.417 0 133 THR   A N    1 ? 
ATOM   324  C  CA   . THR   A 1 21  ? -5.030  -5.106  12.077  1.000 23.772 0 133 THR   A CA   1 ? 
ATOM   325  C  C    . THR   A 1 21  ? -4.310  -3.932  11.421  1.000 22.937 0 133 THR   A C    1 ? 
ATOM   326  O  O    . THR   A 1 21  ? -3.251  -4.101  10.835  1.000 24.232 0 133 THR   A O    1 ? 
ATOM   327  C  CB   . THR   A 1 21  ? -4.188  -5.698  13.220  1.000 26.587 0 133 THR   A CB   1 ? 
ATOM   328  O  OG1  . THR   A 1 21  ? -4.939  -6.739  13.838  1.000 27.824 0 133 THR   A OG1  1 ? 
ATOM   329  C  CG2  . THR   A 1 21  ? -3.876  -4.677  14.297  1.000 26.037 0 133 THR   A CG2  1 ? 
ATOM   330  H  H    . THR   A 1 21  ? -4.638  -6.552  10.678  1.000 22.411 0 133 THR   A H    1 c 
ATOM   331  H  HA   . THR   A 1 21  ? -5.874  -4.783  12.460  1.000 23.841 0 133 THR   A HA   1 c 
ATOM   332  H  HB   . THR   A 1 21  ? -3.346  -6.068  12.862  1.000 26.173 0 133 THR   A HB   1 c 
ATOM   333  H  HG1  . THR   A 1 21  ? -5.683  -6.436  14.150  0.000 28.911 0 133 THR   A HG1  1 c 
ATOM   334  H  HG21 . THR   A 1 21  ? -3.382  -5.105  15.017  1.000 26.066 0 133 THR   A HG21 1 c 
ATOM   335  H  HG22 . THR   A 1 21  ? -4.706  -4.312  14.649  1.000 26.289 0 133 THR   A HG22 1 c 
ATOM   336  H  HG23 . THR   A 1 21  ? -3.341  -3.958  13.922  1.000 26.019 0 133 THR   A HG23 1 c 
ATOM   337  N  N    . ILE   A 1 22  ? -4.913  -2.738  11.552  1.000 21.471 0 134 ILE   A N    1 ? 
ATOM   338  C  CA   . ILE   A 1 22  ? -4.317  -1.488  11.090  1.000 21.695 0 134 ILE   A CA   1 ? 
ATOM   339  C  C    . ILE   A 1 22  ? -4.050  -0.634  12.333  1.000 21.200 0 134 ILE   A C    1 ? 
ATOM   340  O  O    . ILE   A 1 22  ? -4.976  -0.334  13.078  1.000 22.034 0 134 ILE   A O    1 ? 
ATOM   341  C  CB   . ILE   A 1 22  ? -5.234  -0.743  10.087  1.000 23.958 0 134 ILE   A CB   1 ? 
ATOM   342  C  CG1  . ILE   A 1 22  ? -5.621  -1.568  8.845   1.000 28.327 0 134 ILE   A CG1  1 ? 
ATOM   343  C  CG2  . ILE   A 1 22  ? -4.593  0.572   9.663   1.000 23.601 0 134 ILE   A CG2  1 ? 
ATOM   344  C  CD1  . ILE   A 1 22  ? -6.918  -2.318  9.005   1.000 33.824 0 134 ILE   A CD1  1 ? 
ATOM   345  H  H    . ILE   A 1 22  ? -5.735  -2.704  11.950  1.000 21.725 0 134 ILE   A H    1 c 
ATOM   346  H  HA   . ILE   A 1 22  ? -3.469  -1.686  10.649  1.000 21.860 0 134 ILE   A HA   1 c 
ATOM   347  H  HB   . ILE   A 1 22  ? -6.063  -0.525  10.560  1.000 24.124 0 134 ILE   A HB   1 c 
ATOM   348  H  HG12 . ILE   A 1 22  ? -5.698  -0.967  8.076   1.000 28.036 0 134 ILE   A HG12 1 c 
ATOM   349  H  HG13 . ILE   A 1 22  ? -4.905  -2.208  8.656   1.000 28.260 0 134 ILE   A HG13 1 c 
ATOM   350  H  HG21 . ILE   A 1 22  ? -5.170  1.025   9.025   1.000 23.656 0 134 ILE   A HG21 1 c 
ATOM   351  H  HG22 . ILE   A 1 22  ? -3.732  0.395   9.248   1.000 23.656 0 134 ILE   A HG22 1 c 
ATOM   352  H  HG23 . ILE   A 1 22  ? -4.465  1.141   10.440  1.000 23.737 0 134 ILE   A HG23 1 c 
ATOM   353  H  HD11 . ILE   A 1 22  ? -6.845  -2.945  9.749   1.000 32.756 0 134 ILE   A HD11 1 c 
ATOM   354  H  HD12 . ILE   A 1 22  ? -7.111  -2.812  8.185   1.000 32.560 0 134 ILE   A HD12 1 c 
ATOM   355  H  HD13 . ILE   A 1 22  ? -7.642  -1.689  9.181   1.000 32.523 0 134 ILE   A HD13 1 c 
ATOM   356  N  N    . LEU   A 1 23  ? -2.787  -0.242  12.519  1.000 21.505 0 135 LEU   A N    1 ? 
ATOM   357  C  CA   . LEU   A 1 23  ? -2.338  0.601   13.618  1.000 21.486 0 135 LEU   A CA   1 ? 
ATOM   358  C  C    . LEU   A 1 23  ? -1.887  1.919   13.008  1.000 20.911 0 135 LEU   A C    1 ? 
ATOM   359  O  O    . LEU   A 1 23  ? -1.147  1.932   12.030  1.000 20.744 0 135 LEU   A O    1 ? 
ATOM   360  C  CB   . LEU   A 1 23  ? -1.160  -0.016  14.372  1.000 23.587 0 135 LEU   A CB   1 ? 
ATOM   361  C  CG   . LEU   A 1 23  ? -1.463  -1.291  15.148  1.000 28.161 0 135 LEU   A CG   1 ? 
ATOM   362  C  CD1  . LEU   A 1 23  ? -0.154  -1.914  15.617  1.000 30.982 0 135 LEU   A CD1  1 ? 
ATOM   363  C  CD2  . LEU   A 1 23  ? -2.389  -0.964  16.304  1.000 29.259 0 135 LEU   A CD2  1 ? 
ATOM   364  H  H    . LEU   A 1 23  ? -2.162  -0.521  11.915  1.000 21.334 0 135 LEU   A H    1 c 
ATOM   365  H  HA   . LEU   A 1 23  ? -3.093  0.760   14.237  1.000 21.813 0 135 LEU   A HA   1 c 
ATOM   366  H  HB2  . LEU   A 1 23  ? -0.447  -0.210  13.721  1.000 23.642 0 135 LEU   A HB2  1 c 
ATOM   367  H  HB3  . LEU   A 1 23  ? -0.812  0.656   15.002  1.000 23.538 0 135 LEU   A HB3  1 c 
ATOM   368  H  HG   . LEU   A 1 23  ? -1.922  -1.929  14.542  1.000 27.509 0 135 LEU   A HG   1 c 
ATOM   369  H  HD11 . LEU   A 1 23  ? 0.400   -2.126  14.849  1.000 30.158 0 135 LEU   A HD11 1 c 
ATOM   370  H  HD12 . LEU   A 1 23  ? -0.341  -2.728  16.114  1.000 30.520 0 135 LEU   A HD12 1 c 
ATOM   371  H  HD13 . LEU   A 1 23  ? 0.317   -1.286  16.191  1.000 30.459 0 135 LEU   A HD13 1 c 
ATOM   372  H  HD21 . LEU   A 1 23  ? -3.225  -0.607  15.962  1.000 28.639 0 135 LEU   A HD21 1 c 
ATOM   373  H  HD22 . LEU   A 1 23  ? -1.968  -0.305  16.881  1.000 29.150 0 135 LEU   A HD22 1 c 
ATOM   374  H  HD23 . LEU   A 1 23  ? -2.569  -1.771  16.814  1.000 28.867 0 135 LEU   A HD23 1 c 
ATOM   375  N  N    . GLY   A 1 24  ? -2.274  3.013   13.654  1.000 21.796 0 136 GLY   A N    1 ? 
ATOM   376  C  CA   . GLY   A 1 24  ? -1.681  4.281   13.298  1.000 23.354 0 136 GLY   A CA   1 ? 
ATOM   377  C  C    . GLY   A 1 24  ? -2.192  5.362   14.234  1.000 24.505 0 136 GLY   A C    1 ? 
ATOM   378  O  O    . GLY   A 1 24  ? -2.702  5.065   15.315  1.000 24.966 0 136 GLY   A O    1 ? 
ATOM   379  H  H    . GLY   A 1 24  ? -2.906  2.974   14.313  1.000 21.736 0 136 GLY   A H    1 c 
ATOM   380  H  HA2  . GLY   A 1 24  ? -0.700  4.216   13.362  1.000 23.343 0 136 GLY   A HA2  1 c 
ATOM   381  H  HA3  . GLY   A 1 24  ? -1.917  4.502   12.366  1.000 23.141 0 136 GLY   A HA3  1 c 
ATOM   382  N  N    . THR   A 1 25  ? -1.983  6.607   13.816  1.000 23.299 0 137 THR   A N    1 ? 
ATOM   383  C  CA   . THR   A 1 25  ? -2.384  7.776   14.589  1.000 26.364 0 137 THR   A CA   1 ? 
ATOM   384  C  C    . THR   A 1 25  ? -3.183  8.705   13.683  1.000 21.137 0 137 THR   A C    1 ? 
ATOM   385  O  O    . THR   A 1 25  ? -2.809  8.957   12.543  1.000 25.321 0 137 THR   A O    1 ? 
ATOM   386  C  CB   . THR   A 1 25  ? -1.148  8.452   15.193  1.000 27.182 0 137 THR   A CB   1 ? 
ATOM   387  O  OG1  . THR   A 1 25  ? -0.503  7.524   16.067  1.000 28.191 0 137 THR   A OG1  1 ? 
ATOM   388  C  CG2  . THR   A 1 25  ? -1.499  9.635   16.075  1.000 28.188 0 137 THR   A CG2  1 ? 
ATOM   389  H  H    . THR   A 1 25  ? -1.570  6.737   13.011  1.000 23.927 0 137 THR   A H    1 c 
ATOM   390  H  HA   . THR   A 1 25  ? -2.960  7.481   15.323  1.000 25.080 0 137 THR   A HA   1 c 
ATOM   391  H  HB   . THR   A 1 25  ? -0.525  8.733   14.481  1.000 27.390 0 137 THR   A HB   1 c 
ATOM   392  H  HG1  . THR   A 1 25  ? -1.029  7.277   16.692  0.000 28.509 0 137 THR   A HG1  1 c 
ATOM   393  H  HG21 . THR   A 1 25  ? -0.686  10.008  16.456  1.000 27.938 0 137 THR   A HG21 1 c 
ATOM   394  H  HG22 . THR   A 1 25  ? -2.086  9.343   16.792  1.000 28.056 0 137 THR   A HG22 1 c 
ATOM   395  H  HG23 . THR   A 1 25  ? -1.948  10.316  15.546  1.000 27.825 0 137 THR   A HG23 1 c 
ATOM   396  N  N    . VAL   A 1 26  ? -4.307  9.189   14.191  1.000 21.476 0 138 VAL   A N    1 ? 
ATOM   397  C  CA   . VAL   A 1 26  ? -5.092  10.174  13.457  1.000 23.030 0 138 VAL   A CA   1 ? 
ATOM   398  C  C    . VAL   A 1 26  ? -4.349  11.501  13.482  1.000 24.992 0 138 VAL   A C    1 ? 
ATOM   399  O  O    . VAL   A 1 26  ? -3.840  11.916  14.531  1.000 26.119 0 138 VAL   A O    1 ? 
ATOM   400  C  CB   . VAL   A 1 26  ? -6.508  10.353  14.008  1.000 24.640 0 138 VAL   A CB   1 ? 
ATOM   401  C  CG1  . VAL   A 1 26  ? -7.311  11.330  13.161  1.000 26.049 0 138 VAL   A CG1  1 ? 
ATOM   402  C  CG2  . VAL   A 1 26  ? -7.211  9.007   14.117  1.000 27.272 0 138 VAL   A CG2  1 ? 
ATOM   403  H  H    . VAL   A 1 26  ? -4.590  8.917   15.016  1.000 21.704 0 138 VAL   A H    1 c 
ATOM   404  H  HA   . VAL   A 1 26  ? -5.164  9.876   12.530  1.000 23.167 0 138 VAL   A HA   1 c 
ATOM   405  H  HB   . VAL   A 1 26  ? -6.423  10.730  14.914  1.000 24.695 0 138 VAL   A HB   1 c 
ATOM   406  H  HG11 . VAL   A 1 26  ? -7.355  11.007  12.246  1.000 25.771 0 138 VAL   A HG11 1 c 
ATOM   407  H  HG12 . VAL   A 1 26  ? -6.886  12.202  13.176  1.000 25.856 0 138 VAL   A HG12 1 c 
ATOM   408  H  HG13 . VAL   A 1 26  ? -8.212  11.405  13.520  1.000 25.696 0 138 VAL   A HG13 1 c 
ATOM   409  H  HG21 . VAL   A 1 26  ? -8.120  9.142   14.434  1.000 26.615 0 138 VAL   A HG21 1 c 
ATOM   410  H  HG22 . VAL   A 1 26  ? -6.733  8.438   14.742  1.000 26.675 0 138 VAL   A HG22 1 c 
ATOM   411  H  HG23 . VAL   A 1 26  ? -7.234  8.581   13.244  1.000 26.848 0 138 VAL   A HG23 1 c 
ATOM   412  N  N    . LYS   A 1 27  ? -4.284  12.140  12.316  1.000 23.047 0 139 LYS   A N    1 ? 
ATOM   413  C  CA   . LYS   A 1 27  ? -3.626  13.443  12.229  1.000 26.269 0 139 LYS   A CA   1 ? 
ATOM   414  C  C    . LYS   A 1 27  ? -4.433  14.480  13.002  1.000 29.483 0 139 LYS   A C    1 ? 
ATOM   415  O  O    . LYS   A 1 27  ? -5.636  14.327  13.241  1.000 28.750 0 139 LYS   A O    1 ? 
ATOM   416  C  CB   . LYS   A 1 27  ? -3.411  13.928  10.787  1.000 31.317 0 139 LYS   A CB   1 ? 
ATOM   417  C  CG   . LYS   A 1 27  ? -2.389  13.096  10.037  1.000 35.818 0 139 LYS   A CG   1 ? 
ATOM   418  C  CD   . LYS   A 1 27  ? -1.929  13.693  8.719   1.000 43.375 0 139 LYS   A CD   1 ? 
ATOM   419  C  CE   . LYS   A 1 27  ? -0.680  13.044  8.205   1.000 47.348 0 139 LYS   A CE   1 ? 
ATOM   420  N  NZ   . LYS   A 1 27  ? -0.501  13.336  6.779   1.000 52.018 0 139 LYS   A NZ   1 ? 
ATOM   421  H  H    . LYS   A 1 27  ? -4.650  11.772  11.564  1.000 23.992 0 139 LYS   A H    1 c 
ATOM   422  H  HA   . LYS   A 1 27  ? -2.737  13.353  12.653  1.000 26.806 0 139 LYS   A HA   1 c 
ATOM   423  H  HB2  . LYS   A 1 27  ? -4.265  13.887  10.306  1.000 30.732 0 139 LYS   A HB2  1 c 
ATOM   424  H  HB3  . LYS   A 1 27  ? -3.115  14.862  10.795  1.000 31.065 0 139 LYS   A HB3  1 c 
ATOM   425  H  HG2  . LYS   A 1 27  ? -1.607  12.968  10.616  1.000 35.689 0 139 LYS   A HG2  1 c 
ATOM   426  H  HG3  . LYS   A 1 27  ? -2.778  12.211  9.863   1.000 35.713 0 139 LYS   A HG3  1 c 
ATOM   427  H  HD2  . LYS   A 1 27  ? -2.642  13.590  8.053   1.000 42.249 0 139 LYS   A HD2  1 c 
ATOM   428  H  HD3  . LYS   A 1 27  ? -1.763  14.653  8.844   1.000 42.447 0 139 LYS   A HD3  1 c 
ATOM   429  H  HE2  . LYS   A 1 27  ? 0.091   13.379  8.698   1.000 47.412 0 139 LYS   A HE2  1 c 
ATOM   430  H  HE3  . LYS   A 1 27  ? -0.731  12.080  8.333   1.000 47.148 0 139 LYS   A HE3  1 c 
ATOM   431  H  HZ1  . LYS   A 1 27  ? -0.473  14.232  6.650   1.000 51.091 0 139 LYS   A HZ1  1 c 
ATOM   432  H  HZ2  . LYS   A 1 27  ? -1.192  12.988  6.306   1.000 50.891 0 139 LYS   A HZ2  1 c 
ATOM   433  H  HZ3  . LYS   A 1 27  ? 0.273   12.969  6.486   1.000 51.119 0 139 LYS   A HZ3  1 c 
ATOM   434  N  N    A PRO   A 1 28  ? -3.817  15.569  13.514  0.500 30.894 0 140 PRO   A N    1 ? 
ATOM   435  N  N    B PRO   A 1 28  ? -3.750  15.586  13.350  0.500 30.422 0 140 PRO   A N    1 ? 
ATOM   436  C  CA   A PRO   A 1 28  ? -4.565  16.533  14.327  0.500 31.904 0 140 PRO   A CA   1 ? 
ATOM   437  C  CA   B PRO   A 1 28  ? -4.424  16.792  13.817  0.500 31.687 0 140 PRO   A CA   1 ? 
ATOM   438  C  C    A PRO   A 1 28  ? -5.750  17.221  13.640  0.500 31.318 0 140 PRO   A C    1 ? 
ATOM   439  C  C    B PRO   A 1 28  ? -5.298  17.362  12.704  0.500 32.081 0 140 PRO   A C    1 ? 
ATOM   440  O  O    A PRO   A 1 28  ? -6.772  17.486  14.270  0.500 31.554 0 140 PRO   A O    1 ? 
ATOM   441  O  O    B PRO   A 1 28  ? -4.920  17.318  11.536  0.500 33.246 0 140 PRO   A O    1 ? 
ATOM   442  C  CB   A PRO   A 1 28  ? -3.516  17.557  14.785  0.500 33.191 0 140 PRO   A CB   1 ? 
ATOM   443  C  CB   B PRO   A 1 28  ? -3.252  17.701  14.200  0.500 33.911 0 140 PRO   A CB   1 ? 
ATOM   444  C  CG   A PRO   A 1 28  ? -2.175  16.922  14.518  0.500 32.363 0 140 PRO   A CG   1 ? 
ATOM   445  C  CG   B PRO   A 1 28  ? -2.131  17.257  13.308  0.500 31.891 0 140 PRO   A CG   1 ? 
ATOM   446  C  CD   A PRO   A 1 28  ? -2.385  15.894  13.417  0.500 33.433 0 140 PRO   A CD   1 ? 
ATOM   447  C  CD   B PRO   A 1 28  ? -2.283  15.743  13.286  0.500 31.021 0 140 PRO   A CD   1 ? 
ATOM   448  H  HA   A PRO   A 1 28  ? -4.901  16.051  15.124  0.500 31.942 0 140 PRO   A HA   1 c 
ATOM   449  H  HA   B PRO   A 1 28  ? -4.971  16.583  14.616  0.500 31.858 0 140 PRO   A HA   1 c 
ATOM   450  H  HB2  A PRO   A 1 28  ? -3.607  18.398  14.279  0.500 32.930 0 140 PRO   A HB2  1 c 
ATOM   451  H  HB2  B PRO   A 1 28  ? -3.475  18.648  14.039  0.500 33.789 0 140 PRO   A HB2  1 c 
ATOM   452  H  HB3  A PRO   A 1 28  ? -3.620  17.757  15.744  0.500 32.867 0 140 PRO   A HB3  1 c 
ATOM   453  H  HB3  B PRO   A 1 28  ? -3.013  17.585  15.150  0.500 33.313 0 140 PRO   A HB3  1 c 
ATOM   454  H  HG2  A PRO   A 1 28  ? -1.526  17.598  14.232  0.500 32.548 0 140 PRO   A HG2  1 c 
ATOM   455  H  HG2  B PRO   A 1 28  ? -2.223  17.635  12.409  0.500 32.087 0 140 PRO   A HG2  1 c 
ATOM   456  H  HG3  A PRO   A 1 28  ? -1.833  16.488  15.328  0.500 32.653 0 140 PRO   A HG3  1 c 
ATOM   457  H  HG3  B PRO   A 1 28  ? -1.261  17.518  13.678  0.500 32.152 0 140 PRO   A HG3  1 c 
ATOM   458  H  HD2  A PRO   A 1 28  ? -2.166  16.271  12.537  0.500 32.880 0 140 PRO   A HD2  1 c 
ATOM   459  H  HD2  B PRO   A 1 28  ? -1.910  15.368  12.459  0.500 30.946 0 140 PRO   A HD2  1 c 
ATOM   460  H  HD3  A PRO   A 1 28  ? -1.828  15.099  13.573  0.500 32.889 0 140 PRO   A HD3  1 c 
ATOM   461  H  HD3  B PRO   A 1 28  ? -1.842  15.330  14.061  0.500 31.032 0 140 PRO   A HD3  1 c 
ATOM   462  N  N    A ASN   A 1 29  ? -5.631  17.545  12.353  0.500 31.743 0 141 ASN   A N    1 ? 
ATOM   463  N  N    B ASN   A 1 29  ? -6.459  17.900  13.101  0.500 34.175 0 141 ASN   A N    1 ? 
ATOM   464  C  CA   A ASN   A 1 29  ? -6.676  18.338  11.716  0.500 35.562 0 141 ASN   A CA   1 ? 
ATOM   465  C  CA   B ASN   A 1 29  ? -7.485  18.400  12.195  0.500 35.352 0 141 ASN   A CA   1 ? 
ATOM   466  C  C    A ASN   A 1 29  ? -7.656  17.423  10.963  0.500 35.295 0 141 ASN   A C    1 ? 
ATOM   467  C  C    B ASN   A 1 29  ? -7.662  17.427  11.021  0.500 35.500 0 141 ASN   A C    1 ? 
ATOM   468  O  O    A ASN   A 1 29  ? -8.337  17.884  10.051  0.500 37.378 0 141 ASN   A O    1 ? 
ATOM   469  O  O    B ASN   A 1 29  ? -7.699  17.819  9.857   0.500 33.168 0 141 ASN   A O    1 ? 
ATOM   470  C  CB   A ASN   A 1 29  ? -6.106  19.407  10.776  0.500 37.886 0 141 ASN   A CB   1 ? 
ATOM   471  C  CB   B ASN   A 1 29  ? -7.224  19.839  11.746  0.500 36.722 0 141 ASN   A CB   1 ? 
ATOM   472  C  CG   A ASN   A 1 29  ? -5.555  20.653  11.442  0.500 40.387 0 141 ASN   A CG   1 ? 
ATOM   473  C  CG   B ASN   A 1 29  ? -6.856  20.808  12.859  0.500 38.818 0 141 ASN   A CG   1 ? 
ATOM   474  O  OD1  A ASN   A 1 29  ? -5.166  21.601  10.745  0.500 41.787 0 141 ASN   A OD1  1 ? 
ATOM   475  O  OD1  B ASN   A 1 29  ? -7.460  20.830  13.939  0.500 39.224 0 141 ASN   A OD1  1 ? 
ATOM   476  N  ND2  A ASN   A 1 29  ? -5.511  20.698  12.766  0.500 39.908 0 141 ASN   A ND2  1 ? 
ATOM   477  N  ND2  B ASN   A 1 29  ? -5.863  21.650  12.611  0.500 43.515 0 141 ASN   A ND2  1 ? 
ATOM   478  H  H    A ASN   A 1 29  ? -4.904  17.277  11.868  0.500 32.181 0 141 ASN   A H    1 c 
ATOM   479  H  H    B ASN   A 1 29  ? -6.616  17.956  14.000  0.500 33.892 0 141 ASN   A H    1 c 
ATOM   480  H  HA   A ASN   A 1 29  ? -7.174  18.808  12.423  0.500 35.200 0 141 ASN   A HA   1 c 
ATOM   481  H  HA   B ASN   A 1 29  ? -8.333  18.414  12.694  0.500 35.395 0 141 ASN   A HA   1 c 
ATOM   482  H  HB2  A ASN   A 1 29  ? -5.389  19.002  10.247  0.500 37.754 0 141 ASN   A HB2  1 c 
ATOM   483  H  HB2  B ASN   A 1 29  ? -6.500  19.835  11.090  0.500 36.933 0 141 ASN   A HB2  1 c 
ATOM   484  H  HB3  A ASN   A 1 29  ? -6.809  19.679  10.153  0.500 37.908 0 141 ASN   A HB3  1 c 
ATOM   485  H  HB3  B ASN   A 1 29  ? -8.025  20.176  11.297  0.500 36.944 0 141 ASN   A HB3  1 c 
ATOM   486  H  HD21 A ASN   A 1 29  ? -5.790  20.005  13.243  0.500 39.977 0 141 ASN   A HD21 1 c 
ATOM   487  H  HD21 B ASN   A 1 29  ? -5.455  21.633  11.824  0.500 42.451 0 141 ASN   A HD21 1 c 
ATOM   488  H  HD22 A ASN   A 1 29  ? -5.204  21.425  13.173  0.500 39.933 0 141 ASN   A HD22 1 c 
ATOM   489  H  HD22 B ASN   A 1 29  ? -5.610  22.230  13.233  0.500 42.588 0 141 ASN   A HD22 1 c 
ATOM   490  N  N    . ALA   A 1 30  ? -7.768  16.136  11.335  1.000 34.333 0 142 ALA   A N    1 ? 
ATOM   491  C  CA   . ALA   A 1 30  ? -8.297  15.137  10.410  1.000 32.644 0 142 ALA   A CA   1 ? 
ATOM   492  C  C    . ALA   A 1 30  ? -9.698  15.465  9.873   1.000 30.168 0 142 ALA   A C    1 ? 
ATOM   493  O  O    . ALA   A 1 30  ? -10.552 15.958  10.603  1.000 30.733 0 142 ALA   A O    1 ? 
ATOM   494  C  CB   . ALA   A 1 30  ? -8.287  13.775  11.073  1.000 31.290 0 142 ALA   A CB   1 ? 
ATOM   495  H  H    . ALA   A 1 30  ? -7.517  15.870  12.171  1.000 34.342 0 142 ALA   A H    1 c 
ATOM   496  H  HA   . ALA   A 1 30  ? -7.680  15.103  9.628   1.000 32.280 0 142 ALA   A HA   1 c 
ATOM   497  H  HB1  . ALA   A 1 30  ? -7.376  13.532  11.307  1.000 31.495 0 142 ALA   A HB1  1 c 
ATOM   498  H  HB2  . ALA   A 1 30  ? -8.830  13.799  11.878  1.000 31.556 0 142 ALA   A HB2  1 c 
ATOM   499  H  HB3  . ALA   A 1 30  ? -8.649  13.111  10.462  1.000 31.552 0 142 ALA   A HB3  1 c 
ATOM   500  N  N    . ASN   A 1 31  ? -9.938  15.149  8.585   1.000 27.289 0 143 ASN   A N    1 ? 
ATOM   501  C  CA   . ASN   A 1 31  ? -11.255 15.260  7.961   1.000 30.291 0 143 ASN   A CA   1 ? 
ATOM   502  C  C    . ASN   A 1 31  ? -11.828 13.872  7.660   1.000 26.918 0 143 ASN   A C    1 ? 
ATOM   503  O  O    . ASN   A 1 31  ? -13.039 13.633  7.769   1.000 26.879 0 143 ASN   A O    1 ? 
ATOM   504  C  CB   . ASN   A 1 31  ? -11.215 16.109  6.685   1.000 31.266 0 143 ASN   A CB   1 ? 
ATOM   505  C  CG   . ASN   A 1 31  ? -10.703 17.503  6.948   1.000 41.009 0 143 ASN   A CG   1 ? 
ATOM   506  O  OD1  . ASN   A 1 31  ? -11.159 18.160  7.887   1.000 46.428 0 143 ASN   A OD1  1 ? 
ATOM   507  N  ND2  . ASN   A 1 31  ? -9.759  17.975  6.149   1.000 46.128 0 143 ASN   A ND2  1 ? 
ATOM   508  H  H    . ASN   A 1 31  ? -9.237  14.868  8.071   1.000 28.483 0 143 ASN   A H    1 c 
ATOM   509  H  HA   . ASN   A 1 31  ? -11.860 15.710  8.593   1.000 29.589 0 143 ASN   A HA   1 c 
ATOM   510  H  HB2  . ASN   A 1 31  ? -10.637 15.672  6.028   1.000 32.313 0 143 ASN   A HB2  1 c 
ATOM   511  H  HB3  . ASN   A 1 31  ? -12.115 16.163  6.307   1.000 32.204 0 143 ASN   A HB3  1 c 
ATOM   512  H  HD21 . ASN   A 1 31  ? -9.456  17.483  5.476   1.000 44.833 0 143 ASN   A HD21 1 c 
ATOM   513  H  HD22 . ASN   A 1 31  ? -9.429  18.786  6.288   1.000 44.710 0 143 ASN   A HD22 1 c 
ATOM   514  N  N    . ARG   A 1 32  ? -10.960 12.953  7.249   1.000 25.952 0 144 ARG   A N    1 ? 
ATOM   515  C  CA   . ARG   A 1 32  ? -11.468 11.646  6.826   1.000 25.207 0 144 ARG   A CA   1 ? 
ATOM   516  C  C    . ARG   A 1 32  ? -10.391 10.570  6.879   1.000 24.489 0 144 ARG   A C    1 ? 
ATOM   517  O  O    . ARG   A 1 32  ? -9.200  10.875  6.781   1.000 27.234 0 144 ARG   A O    1 ? 
ATOM   518  C  CB   . ARG   A 1 32  ? -11.944 11.753  5.375   1.000 27.115 0 144 ARG   A CB   1 ? 
ATOM   519  C  CG   . ARG   A 1 32  ? -10.856 12.137  4.386   1.000 33.092 0 144 ARG   A CG   1 ? 
ATOM   520  C  CD   . ARG   A 1 32  ? -11.420 12.494  3.024   1.000 36.507 0 144 ARG   A CD   1 ? 
ATOM   521  N  NE   . ARG   A 1 32  ? -10.326 12.791  2.095   1.000 46.227 0 144 ARG   A NE   1 ? 
ATOM   522  C  CZ   . ARG   A 1 32  ? -10.451 12.946  0.780   1.000 46.395 0 144 ARG   A CZ   1 ? 
ATOM   523  N  NH1  . ARG   A 1 32  ? -11.637 12.834  0.203   1.000 47.314 0 144 ARG   A NH1  1 ? 
ATOM   524  N  NH2  . ARG   A 1 32  ? -9.381  13.199  0.045   1.000 47.705 0 144 ARG   A NH2  1 ? 
ATOM   525  H  H    . ARG   A 1 32  ? -10.063 13.121  7.219   1.000 26.196 0 144 ARG   A H    1 c 
ATOM   526  H  HA   . ARG   A 1 32  ? -12.217 11.386  7.418   1.000 25.418 0 144 ARG   A HA   1 c 
ATOM   527  H  HB2  . ARG   A 1 32  ? -12.324 10.891  5.104   1.000 26.742 0 144 ARG   A HB2  1 c 
ATOM   528  H  HB3  . ARG   A 1 32  ? -12.661 12.422  5.328   1.000 27.410 0 144 ARG   A HB3  1 c 
ATOM   529  H  HG2  . ARG   A 1 32  ? -10.355 12.906  4.736   1.000 32.377 0 144 ARG   A HG2  1 c 
ATOM   530  H  HG3  . ARG   A 1 32  ? -10.229 11.389  4.285   1.000 32.290 0 144 ARG   A HG3  1 c 
ATOM   531  H  HD2  . ARG   A 1 32  ? -11.952 11.748  2.679   1.000 36.851 0 144 ARG   A HD2  1 c 
ATOM   532  H  HD3  . ARG   A 1 32  ? -12.002 13.277  3.104   1.000 36.682 0 144 ARG   A HD3  1 c 
ATOM   533  H  HE   . ARG   A 1 32  ? -9.526  12.873  2.430   1.000 44.121 0 144 ARG   A HE   1 c 
ATOM   534  H  HH11 . ARG   A 1 32  ? -11.689 12.742  -0.676  1.000 47.036 0 144 ARG   A HH11 1 c 
ATOM   535  H  HH12 . ARG   A 1 32  ? -12.374 12.854  0.690   1.000 46.945 0 144 ARG   A HH12 1 c 
ATOM   536  H  HH21 . ARG   A 1 32  ? -9.463  13.315  -0.828  1.000 48.136 0 144 ARG   A HH21 1 c 
ATOM   537  H  HH22 . ARG   A 1 32  ? -8.584  13.252  0.426   1.000 47.939 0 144 ARG   A HH22 1 c 
ATOM   538  N  N    . ILE   A 1 33  ? -10.860 9.316   6.954   1.000 22.548 0 145 ILE   A N    1 ? 
ATOM   539  C  CA   . ILE   A 1 33  ? -10.052 8.100   6.848   1.000 22.604 0 145 ILE   A CA   1 ? 
ATOM   540  C  C    . ILE   A 1 33  ? -10.810 7.124   5.943   1.000 21.694 0 145 ILE   A C    1 ? 
ATOM   541  O  O    . ILE   A 1 33  ? -12.030 7.133   5.958   1.000 20.789 0 145 ILE   A O    1 ? 
ATOM   542  C  CB   . ILE   A 1 33  ? -9.807  7.491   8.241   1.000 24.521 0 145 ILE   A CB   1 ? 
ATOM   543  C  CG1  . ILE   A 1 33  ? -9.116  8.477   9.174   1.000 29.133 0 145 ILE   A CG1  1 ? 
ATOM   544  C  CG2  . ILE   A 1 33  ? -9.047  6.164   8.143   1.000 25.505 0 145 ILE   A CG2  1 ? 
ATOM   545  C  CD1  . ILE   A 1 33  ? -9.089  8.033   10.623  1.000 31.936 0 145 ILE   A CD1  1 ? 
ATOM   546  H  H    . ILE   A 1 33  ? -11.759 9.215   7.084   1.000 22.892 0 145 ILE   A H    1 c 
ATOM   547  H  HA   . ILE   A 1 33  ? -9.194  8.320   6.438   1.000 22.718 0 145 ILE   A HA   1 c 
ATOM   548  H  HB   . ILE   A 1 33  ? -10.683 7.297   8.628   1.000 25.059 0 145 ILE   A HB   1 c 
ATOM   549  H  HG12 . ILE   A 1 33  ? -8.197  8.610   8.866   1.000 28.636 0 145 ILE   A HG12 1 c 
ATOM   550  H  HG13 . ILE   A 1 33  ? -9.577  9.338   9.121   1.000 28.630 0 145 ILE   A HG13 1 c 
ATOM   551  H  HG21 . ILE   A 1 33  ? -8.889  5.811   9.033   1.000 25.345 0 145 ILE   A HG21 1 c 
ATOM   552  H  HG22 . ILE   A 1 33  ? -8.195  6.309   7.698   1.000 25.283 0 145 ILE   A HG22 1 c 
ATOM   553  H  HG23 . ILE   A 1 33  ? -9.571  5.524   7.634   1.000 25.378 0 145 ILE   A HG23 1 c 
ATOM   554  H  HD11 . ILE   A 1 33  ? -10.003 7.897   10.937  1.000 31.401 0 145 ILE   A HD11 1 c 
ATOM   555  H  HD12 . ILE   A 1 33  ? -8.661  8.721   11.166  1.000 31.301 0 145 ILE   A HD12 1 c 
ATOM   556  H  HD13 . ILE   A 1 33  ? -8.591  7.198   10.708  1.000 31.536 0 145 ILE   A HD13 1 c 
ATOM   557  N  N    . ALA   A 1 34  ? -10.089 6.290   5.171   1.000 21.241 0 146 ALA   A N    1 ? 
ATOM   558  C  CA   . ALA   A 1 34  ? -10.749 5.289   4.339   1.000 20.414 0 146 ALA   A CA   1 ? 
ATOM   559  C  C    . ALA   A 1 34  ? -9.926  3.999   4.318   1.000 19.388 0 146 ALA   A C    1 ? 
ATOM   560  O  O    . ALA   A 1 34  ? -8.735  3.997   4.077   1.000 22.049 0 146 ALA   A O    1 ? 
ATOM   561  C  CB   . ALA   A 1 34  ? -11.009 5.773   2.925   1.000 21.246 0 146 ALA   A CB   1 ? 
ATOM   562  H  H    . ALA   A 1 34  ? -9.177  6.347   5.163   1.000 21.130 0 146 ALA   A H    1 c 
ATOM   563  H  HA   . ALA   A 1 34  ? -11.627 5.082   4.757   1.000 20.554 0 146 ALA   A HA   1 c 
ATOM   564  H  HB1  . ALA   A 1 34  ? -11.588 6.552   2.948   1.000 20.922 0 146 ALA   A HB1  1 c 
ATOM   565  H  HB2  . ALA   A 1 34  ? -10.168 6.010   2.501   1.000 21.100 0 146 ALA   A HB2  1 c 
ATOM   566  H  HB3  . ALA   A 1 34  ? -11.439 5.068   2.412   1.000 21.074 0 146 ALA   A HB3  1 c 
ATOM   567  N  N    . LEU   A 1 35  ? -10.648 2.900   4.492   1.000 20.409 0 147 LEU   A N    1 ? 
ATOM   568  C  CA   . LEU   A 1 35  ? -10.170 1.562   4.132   1.000 20.426 0 147 LEU   A CA   1 ? 
ATOM   569  C  C    . LEU   A 1 35  ? -11.010 1.078   2.946   1.000 20.158 0 147 LEU   A C    1 ? 
ATOM   570  O  O    . LEU   A 1 35  ? -12.222 1.146   2.993   1.000 20.905 0 147 LEU   A O    1 ? 
ATOM   571  C  CB   . LEU   A 1 35  ? -10.338 0.603   5.299   1.000 22.895 0 147 LEU   A CB   1 ? 
ATOM   572  C  CG   . LEU   A 1 35  ? -9.625  0.891   6.613   1.000 28.241 0 147 LEU   A CG   1 ? 
ATOM   573  C  CD1  . LEU   A 1 35  ? -9.856  -0.281  7.549   1.000 32.695 0 147 LEU   A CD1  1 ? 
ATOM   574  C  CD2  . LEU   A 1 35  ? -8.162  1.122   6.492   1.000 33.628 0 147 LEU   A CD2  1 ? 
ATOM   575  H  H    . LEU   A 1 35  ? -11.481 2.976   4.859   1.000 20.189 0 147 LEU   A H    1 c 
ATOM   576  H  HA   . LEU   A 1 35  ? -9.218  1.615   3.873   1.000 20.827 0 147 LEU   A HA   1 c 
ATOM   577  H  HB2  . LEU   A 1 35  ? -11.301 0.530   5.490   1.000 22.812 0 147 LEU   A HB2  1 c 
ATOM   578  H  HB3  . LEU   A 1 35  ? -10.056 -0.290  4.995   1.000 22.907 0 147 LEU   A HB3  1 c 
ATOM   579  H  HG   . LEU   A 1 35  ? -10.034 1.699   7.017   1.000 28.160 0 147 LEU   A HG   1 c 
ATOM   580  H  HD11 . LEU   A 1 35  ? -10.810 -0.406  7.687   1.000 31.645 0 147 LEU   A HD11 1 c 
ATOM   581  H  HD12 . LEU   A 1 35  ? -9.427  -0.104  8.404   1.000 31.692 0 147 LEU   A HD12 1 c 
ATOM   582  H  HD13 . LEU   A 1 35  ? -9.478  -1.087  7.160   1.000 31.621 0 147 LEU   A HD13 1 c 
ATOM   583  H  HD21 . LEU   A 1 35  ? -8.001  1.897   5.928   1.000 32.306 0 147 LEU   A HD21 1 c 
ATOM   584  H  HD22 . LEU   A 1 35  ? -7.742  0.341   6.096   1.000 32.600 0 147 LEU   A HD22 1 c 
ATOM   585  H  HD23 . LEU   A 1 35  ? -7.784  1.280   7.374   1.000 32.305 0 147 LEU   A HD23 1 c 
ATOM   586  N  N    . ASP   A 1 36  ? -10.365 0.507   1.933   1.000 20.750 0 148 ASP   A N    1 ? 
ATOM   587  C  CA   . ASP   A 1 36  ? -11.049 0.008   0.743   1.000 21.770 0 148 ASP   A CA   1 ? 
ATOM   588  C  C    . ASP   A 1 36  ? -10.578 -1.418  0.449   1.000 21.069 0 148 ASP   A C    1 ? 
ATOM   589  O  O    . ASP   A 1 36  ? -9.456  -1.594  -0.014  1.000 20.446 0 148 ASP   A O    1 ? 
ATOM   590  C  CB   . ASP   A 1 36  ? -10.746 0.925   -0.430  1.000 23.156 0 148 ASP   A CB   1 ? 
ATOM   591  C  CG   . ASP   A 1 36  ? -11.407 2.295   -0.346  1.000 24.646 0 148 ASP   A CG   1 ? 
ATOM   592  O  OD1  . ASP   A 1 36  ? -12.608 2.380   -0.661  1.000 30.296 0 148 ASP   A OD1  1 ? 
ATOM   593  O  OD2  . ASP   A 1 36  ? -10.726 3.255   0.040   1.000 32.869 0 148 ASP   A OD2  1 ? 
ATOM   594  H  H    . ASP   A 1 36  ? -9.457  0.419   1.982   1.000 20.863 0 148 ASP   A H    1 c 
ATOM   595  H  HA   . ASP   A 1 36  ? -12.019 0.001   0.909   1.000 21.564 0 148 ASP   A HA   1 c 
ATOM   596  H  HB2  . ASP   A 1 36  ? -9.776  1.054   -0.486  1.000 23.296 0 148 ASP   A HB2  1 c 
ATOM   597  H  HB3  . ASP   A 1 36  ? -11.040 0.492   -1.258  1.000 23.290 0 148 ASP   A HB3  1 c 
ATOM   598  N  N    . PHE   A 1 37  ? -11.430 -2.409  0.762   1.000 19.314 0 149 PHE   A N    1 ? 
ATOM   599  C  CA   . PHE   A 1 37  ? -11.178 -3.795  0.393   1.000 19.138 0 149 PHE   A CA   1 ? 
ATOM   600  C  C    . PHE   A 1 37  ? -11.634 -3.967  -1.051  1.000 16.963 0 149 PHE   A C    1 ? 
ATOM   601  O  O    . PHE   A 1 37  ? -12.816 -3.806  -1.323  1.000 20.076 0 149 PHE   A O    1 ? 
ATOM   602  C  CB   . PHE   A 1 37  ? -11.977 -4.740  1.296   1.000 19.605 0 149 PHE   A CB   1 ? 
ATOM   603  C  CG   . PHE   A 1 37  ? -11.460 -4.826  2.723   1.000 21.580 0 149 PHE   A CG   1 ? 
ATOM   604  C  CD1  . PHE   A 1 37  ? -10.511 -5.784  3.063   1.000 22.682 0 149 PHE   A CD1  1 ? 
ATOM   605  C  CD2  . PHE   A 1 37  ? -11.863 -3.917  3.698   1.000 22.020 0 149 PHE   A CD2  1 ? 
ATOM   606  C  CE1  . PHE   A 1 37  ? -10.033 -5.880  4.356   1.000 26.085 0 149 PHE   A CE1  1 ? 
ATOM   607  C  CE2  . PHE   A 1 37  ? -11.383 -4.019  4.989   1.000 24.712 0 149 PHE   A CE2  1 ? 
ATOM   608  C  CZ   . PHE   A 1 37  ? -10.483 -5.014  5.325   1.000 25.903 0 149 PHE   A CZ   1 ? 
ATOM   609  H  H    . PHE   A 1 37  ? -12.194 -2.209  1.221   1.000 19.565 0 149 PHE   A H    1 c 
ATOM   610  H  HA   . PHE   A 1 37  ? -10.208 -3.992  0.471   1.000 18.685 0 149 PHE   A HA   1 c 
ATOM   611  H  HB2  . PHE   A 1 37  ? -12.912 -4.437  1.315   1.000 19.891 0 149 PHE   A HB2  1 c 
ATOM   612  H  HB3  . PHE   A 1 37  ? -11.962 -5.638  0.899   1.000 19.731 0 149 PHE   A HB3  1 c 
ATOM   613  H  HD1  . PHE   A 1 37  ? -10.220 -6.401  2.411   1.000 22.697 0 149 PHE   A HD1  1 c 
ATOM   614  H  HD2  . PHE   A 1 37  ? -12.501 -3.254  3.484   1.000 22.551 0 149 PHE   A HD2  1 c 
ATOM   615  H  HE1  . PHE   A 1 37  ? -9.407  -6.551  4.577   1.000 25.127 0 149 PHE   A HE1  1 c 
ATOM   616  H  HE2  . PHE   A 1 37  ? -11.685 -3.416  5.650   1.000 24.290 0 149 PHE   A HE2  1 c 
ATOM   617  H  HZ   . PHE   A 1 37  ? -10.137 -5.064  6.202   1.000 25.533 0 149 PHE   A HZ   1 c 
ATOM   618  N  N    . GLN   A 1 38  ? -10.686 -4.243  -1.946  1.000 17.534 0 150 GLN   A N    1 ? 
ATOM   619  C  CA   . GLN   A 1 38  ? -10.909 -4.201  -3.387  1.000 18.311 0 150 GLN   A CA   1 ? 
ATOM   620  C  C    . GLN   A 1 38  ? -10.929 -5.601  -3.990  1.000 20.214 0 150 GLN   A C    1 ? 
ATOM   621  O  O    . GLN   A 1 38  ? -10.041 -6.422  -3.696  1.000 21.994 0 150 GLN   A O    1 ? 
ATOM   622  C  CB   . GLN   A 1 38  ? -9.784  -3.443  -4.083  1.000 21.575 0 150 GLN   A CB   1 ? 
ATOM   623  C  CG   . GLN   A 1 38  ? -9.750  -1.976  -3.638  1.000 26.224 0 150 GLN   A CG   1 ? 
ATOM   624  C  CD   . GLN   A 1 38  ? -10.143 -0.936  -4.674  1.000 35.807 0 150 GLN   A CD   1 ? 
ATOM   625  O  OE1  . GLN   A 1 38  ? -10.380 -1.181  -5.873  1.000 42.799 0 150 GLN   A OE1  1 ? 
ATOM   626  N  NE2  . GLN   A 1 38  ? -10.147 0.299   -4.207  1.000 41.553 0 150 GLN   A NE2  1 ? 
ATOM   627  H  H    . GLN   A 1 38  ? -9.856  -4.475  -1.643  1.000 17.395 0 150 GLN   A H    1 c 
ATOM   628  H  HA   . GLN   A 1 38  ? -11.773 -3.753  -3.564  1.000 18.494 0 150 GLN   A HA   1 c 
ATOM   629  H  HB2  . GLN   A 1 38  ? -8.928  -3.869  -3.869  1.000 21.496 0 150 GLN   A HB2  1 c 
ATOM   630  H  HB3  . GLN   A 1 38  ? -9.912  -3.491  -5.053  1.000 21.522 0 150 GLN   A HB3  1 c 
ATOM   631  H  HG2  . GLN   A 1 38  ? -10.348 -1.865  -2.869  1.000 25.939 0 150 GLN   A HG2  1 c 
ATOM   632  H  HG3  . GLN   A 1 38  ? -8.843  -1.763  -3.331  1.000 26.242 0 150 GLN   A HG3  1 c 
ATOM   633  H  HE21 . GLN   A 1 38  ? -9.923  0.457   -3.363  1.000 39.588 0 150 GLN   A HE21 1 c 
ATOM   634  H  HE22 . GLN   A 1 38  ? -10.375 0.972   -4.738  1.000 40.350 0 150 GLN   A HE22 1 c 
ATOM   635  N  N    . ARG   A 1 39  ? -11.881 -5.786  -4.909  1.000 20.282 0 151 ARG   A N    1 ? 
ATOM   636  C  CA   . ARG   A 1 39  ? -11.874 -6.923  -5.825  1.000 20.757 0 151 ARG   A CA   1 ? 
ATOM   637  C  C    . ARG   A 1 39  ? -11.702 -6.333  -7.226  1.000 20.055 0 151 ARG   A C    1 ? 
ATOM   638  O  O    . ARG   A 1 39  ? -12.695 -5.909  -7.829  1.000 20.334 0 151 ARG   A O    1 ? 
ATOM   639  C  CB   . ARG   A 1 39  ? -13.155 -7.757  -5.664  1.000 21.132 0 151 ARG   A CB   1 ? 
ATOM   640  C  CG   . ARG   A 1 39  ? -13.288 -8.853  -6.722  1.000 22.327 0 151 ARG   A CG   1 ? 
ATOM   641  C  CD   . ARG   A 1 39  ? -14.576 -9.648  -6.603  1.000 26.457 0 151 ARG   A CD   1 ? 
ATOM   642  N  NE   . ARG   A 1 39  ? -14.709 -10.569 -7.737  1.000 27.341 0 151 ARG   A NE   1 ? 
ATOM   643  C  CZ   . ARG   A 1 39  ? -15.593 -10.534 -8.723  1.000 27.424 0 151 ARG   A CZ   1 ? 
ATOM   644  N  NH1  . ARG   A 1 39  ? -16.553 -9.631  -8.766  1.000 30.703 0 151 ARG   A NH1  1 ? 
ATOM   645  N  NH2  . ARG   A 1 39  ? -15.535 -11.447 -9.669  1.000 30.905 0 151 ARG   A NH2  1 ? 
ATOM   646  H  H    . ARG   A 1 39  ? -12.561 -5.178  -4.973  1.000 20.378 0 151 ARG   A H    1 c 
ATOM   647  H  HA   . ARG   A 1 39  ? -11.093 -7.495  -5.617  1.000 20.594 0 151 ARG   A HA   1 c 
ATOM   648  H  HB2  . ARG   A 1 39  ? -13.158 -8.170  -4.774  1.000 21.195 0 151 ARG   A HB2  1 c 
ATOM   649  H  HB3  . ARG   A 1 39  ? -13.933 -7.161  -5.721  1.000 21.258 0 151 ARG   A HB3  1 c 
ATOM   650  H  HG2  . ARG   A 1 39  ? -13.251 -8.448  -7.615  1.000 22.534 0 151 ARG   A HG2  1 c 
ATOM   651  H  HG3  . ARG   A 1 39  ? -12.528 -9.469  -6.642  1.000 22.604 0 151 ARG   A HG3  1 c 
ATOM   652  H  HD2  . ARG   A 1 39  ? -14.570 -10.158 -5.768  1.000 26.170 0 151 ARG   A HD2  1 c 
ATOM   653  H  HD3  . ARG   A 1 39  ? -15.338 -9.037  -6.580  1.000 25.866 0 151 ARG   A HD3  1 c 
ATOM   654  H  HE   . ARG   A 1 39  ? -14.134 -11.223 -7.769  1.000 27.551 0 151 ARG   A HE   1 c 
ATOM   655  H  HH11 . ARG   A 1 39  ? -17.120 -9.628  -9.444  1.000 29.857 0 151 ARG   A HH11 1 c 
ATOM   656  H  HH12 . ARG   A 1 39  ? -16.634 -9.028  -8.127  1.000 29.798 0 151 ARG   A HH12 1 c 
ATOM   657  H  HH21 . ARG   A 1 39  ? -16.138 -11.452 -10.316 1.000 29.900 0 151 ARG   A HH21 1 c 
ATOM   658  H  HH22 . ARG   A 1 39  ? -14.892 -12.054 -9.661  1.000 30.116 0 151 ARG   A HH22 1 c 
ATOM   659  N  N    . GLY   A 1 40  ? -10.453 -6.289  -7.711  1.000 19.524 0 152 GLY   A N    1 ? 
ATOM   660  C  CA   . GLY   A 1 40  ? -10.141 -5.551  -8.933  1.000 21.518 0 152 GLY   A CA   1 ? 
ATOM   661  C  C    . GLY   A 1 40  ? -10.538 -4.083  -8.747  1.000 21.402 0 152 GLY   A C    1 ? 
ATOM   662  O  O    . GLY   A 1 40  ? -10.162 -3.500  -7.746  1.000 22.083 0 152 GLY   A O    1 ? 
ATOM   663  H  H    . GLY   A 1 40  ? -9.782  -6.729  -7.275  1.000 19.856 0 152 GLY   A H    1 c 
ATOM   664  H  HA2  . GLY   A 1 40  ? -9.174  -5.619  -9.119  1.000 20.939 0 152 GLY   A HA2  1 c 
ATOM   665  H  HA3  . GLY   A 1 40  ? -10.631 -5.945  -9.690  1.000 21.199 0 152 GLY   A HA3  1 c 
ATOM   666  N  N    . ASN   A 1 41  ? -11.389 -3.553  -9.630  1.000 19.938 0 153 ASN   A N    1 ? 
ATOM   667  C  CA   . ASN   A 1 41  ? -11.865 -2.178  -9.512  1.000 19.658 0 153 ASN   A CA   1 ? 
ATOM   668  C  C    . ASN   A 1 41  ? -13.039 -2.041  -8.547  1.000 21.735 0 153 ASN   A C    1 ? 
ATOM   669  O  O    . ASN   A 1 41  ? -13.404 -0.918  -8.156  1.000 23.837 0 153 ASN   A O    1 ? 
ATOM   670  C  CB   . ASN   A 1 41  ? -12.256 -1.609  -10.879 1.000 20.906 0 153 ASN   A CB   1 ? 
ATOM   671  C  CG   . ASN   A 1 41  ? -12.627 -0.145  -10.773 1.000 21.995 0 153 ASN   A CG   1 ? 
ATOM   672  O  OD1  . ASN   A 1 41  ? -11.794 0.657   -10.338 1.000 23.701 0 153 ASN   A OD1  1 ? 
ATOM   673  N  ND2  . ASN   A 1 41  ? -13.854 0.209   -11.118 1.000 25.095 0 153 ASN   A ND2  1 ? 
ATOM   674  H  H    . ASN   A 1 41  ? -11.683 -4.062  -10.329 1.000 20.210 0 153 ASN   A H    1 c 
ATOM   675  H  HA   . ASN   A 1 41  ? -11.124 -1.628  -9.169  1.000 20.109 0 153 ASN   A HA   1 c 
ATOM   676  H  HB2  . ASN   A 1 41  ? -11.507 -1.709  -11.498 1.000 20.766 0 153 ASN   A HB2  1 c 
ATOM   677  H  HB3  . ASN   A 1 41  ? -13.013 -2.114  -11.234 1.000 20.990 0 153 ASN   A HB3  1 c 
ATOM   678  H  HD21 . ASN   A 1 41  ? -14.431 -0.400  -11.406 1.000 24.300 0 153 ASN   A HD21 1 c 
ATOM   679  H  HD22 . ASN   A 1 41  ? -14.099 1.059   -11.061 1.000 24.602 0 153 ASN   A HD22 1 c 
ATOM   680  N  N    . ASP   A 1 42  ? -13.691 -3.138  -8.160  1.000 21.245 0 154 ASP   A N    1 ? 
ATOM   681  C  CA   . ASP   A 1 42  ? -14.819 -3.041  -7.250  1.000 19.296 0 154 ASP   A CA   1 ? 
ATOM   682  C  C    . ASP   A 1 42  ? -14.300 -2.882  -5.829  1.000 19.171 0 154 ASP   A C    1 ? 
ATOM   683  O  O    . ASP   A 1 42  ? -13.223 -3.379  -5.472  1.000 22.829 0 154 ASP   A O    1 ? 
ATOM   684  C  CB   . ASP   A 1 42  ? -15.731 -4.249  -7.370  1.000 21.426 0 154 ASP   A CB   1 ? 
ATOM   685  C  CG   . ASP   A 1 42  ? -16.628 -4.228  -8.599  1.000 24.377 0 154 ASP   A CG   1 ? 
ATOM   686  O  OD1  . ASP   A 1 42  ? -16.644 -3.174  -9.328  1.000 26.605 0 154 ASP   A OD1  1 ? 
ATOM   687  O  OD2  . ASP   A 1 42  ? -17.341 -5.238  -8.806  1.000 27.273 0 154 ASP   A OD2  1 ? 
ATOM   688  H  H    . ASP   A 1 42  ? -13.434 -3.959  -8.467  1.000 20.982 0 154 ASP   A H    1 c 
ATOM   689  H  HA   . ASP   A 1 42  ? -15.339 -2.242  -7.484  1.000 19.615 0 154 ASP   A HA   1 c 
ATOM   690  H  HB2  . ASP   A 1 42  ? -15.185 -5.062  -7.398  1.000 21.455 0 154 ASP   A HB2  1 c 
ATOM   691  H  HB3  . ASP   A 1 42  ? -16.301 -4.299  -6.574  1.000 21.321 0 154 ASP   A HB3  1 c 
ATOM   692  N  N    . VAL   A 1 43  ? -15.076 -2.180  -5.019  1.000 18.827 0 155 VAL   A N    1 ? 
ATOM   693  C  CA   . VAL   A 1 43  ? -14.751 -2.027  -3.612  1.000 19.321 0 155 VAL   A CA   1 ? 
ATOM   694  C  C    . VAL   A 1 43  ? -15.792 -2.804  -2.833  1.000 18.431 0 155 VAL   A C    1 ? 
ATOM   695  O  O    . VAL   A 1 43  ? -16.954 -2.413  -2.787  1.000 19.867 0 155 VAL   A O    1 ? 
ATOM   696  C  CB   . VAL   A 1 43  ? -14.742 -0.569  -3.159  1.000 18.770 0 155 VAL   A CB   1 ? 
ATOM   697  C  CG1  . VAL   A 1 43  ? -14.428 -0.501  -1.680  1.000 19.295 0 155 VAL   A CG1  1 ? 
ATOM   698  C  CG2  . VAL   A 1 43  ? -13.785 0.256   -4.010  1.000 21.256 0 155 VAL   A CG2  1 ? 
ATOM   699  H  H    . VAL   A 1 43  ? -15.832 -1.782  -5.345  1.000 18.631 0 155 VAL   A H    1 c 
ATOM   700  H  HA   . VAL   A 1 43  ? -13.871 -2.414  -3.445  1.000 19.107 0 155 VAL   A HA   1 c 
ATOM   701  H  HB   . VAL   A 1 43  ? -15.651 -0.214  -3.295  1.000 19.232 0 155 VAL   A HB   1 c 
ATOM   702  H  HG11 . VAL   A 1 43  ? -13.586 -0.954  -1.506  1.000 19.219 0 155 VAL   A HG11 1 c 
ATOM   703  H  HG12 . VAL   A 1 43  ? -15.138 -0.930  -1.174  1.000 19.260 0 155 VAL   A HG12 1 c 
ATOM   704  H  HG13 . VAL   A 1 43  ? -14.356 0.429   -1.408  1.000 19.097 0 155 VAL   A HG13 1 c 
ATOM   705  H  HG21 . VAL   A 1 43  ? -13.789 1.178   -3.702  1.000 20.875 0 155 VAL   A HG21 1 c 
ATOM   706  H  HG22 . VAL   A 1 43  ? -14.068 0.226   -4.940  1.000 20.672 0 155 VAL   A HG22 1 c 
ATOM   707  H  HG23 . VAL   A 1 43  ? -12.887 -0.107  -3.934  1.000 20.755 0 155 VAL   A HG23 1 c 
ATOM   708  N  N    . ALA   A 1 44  ? -15.353 -3.971  -2.345  1.000 19.483 0 156 ALA   A N    1 ? 
ATOM   709  C  CA   . ALA   A 1 44  ? -16.241 -4.864  -1.619  1.000 20.581 0 156 ALA   A CA   1 ? 
ATOM   710  C  C    . ALA   A 1 44  ? -16.729 -4.208  -0.332  1.000 17.707 0 156 ALA   A C    1 ? 
ATOM   711  O  O    . ALA   A 1 44  ? -17.873 -4.389  0.059   1.000 21.149 0 156 ALA   A O    1 ? 
ATOM   712  C  CB   . ALA   A 1 44  ? -15.572 -6.208  -1.366  1.000 22.725 0 156 ALA   A CB   1 ? 
ATOM   713  H  H    . ALA   A 1 44  ? -14.482 -4.218  -2.469  1.000 19.442 0 156 ALA   A H    1 c 
ATOM   714  H  HA   . ALA   A 1 44  ? -17.040 -5.022  -2.193  1.000 20.147 0 156 ALA   A HA   1 c 
ATOM   715  H  HB1  . ALA   A 1 44  ? -15.353 -6.629  -2.215  1.000 22.291 0 156 ALA   A HB1  1 c 
ATOM   716  H  HB2  . ALA   A 1 44  ? -14.757 -6.077  -0.854  1.000 22.322 0 156 ALA   A HB2  1 c 
ATOM   717  H  HB3  . ALA   A 1 44  ? -16.174 -6.785  -0.868  1.000 22.371 0 156 ALA   A HB3  1 c 
ATOM   718  N  N    . PHE   A 1 45  ? -15.818 -3.461  0.300   1.000 17.870 0 157 PHE   A N    1 ? 
ATOM   719  C  CA   . PHE   A 1 45  ? -16.093 -2.834  1.580   1.000 18.114 0 157 PHE   A CA   1 ? 
ATOM   720  C  C    . PHE   A 1 45  ? -15.213 -1.608  1.737   1.000 17.438 0 157 PHE   A C    1 ? 
ATOM   721  O  O    . PHE   A 1 45  ? -14.012 -1.700  1.851   1.000 18.584 0 157 PHE   A O    1 ? 
ATOM   722  C  CB   . PHE   A 1 45  ? -15.880 -3.836  2.710   1.000 19.653 0 157 PHE   A CB   1 ? 
ATOM   723  C  CG   . PHE   A 1 45  ? -16.053 -3.335  4.125   1.000 19.593 0 157 PHE   A CG   1 ? 
ATOM   724  C  CD1  . PHE   A 1 45  ? -17.048 -2.422  4.443   1.000 20.444 0 157 PHE   A CD1  1 ? 
ATOM   725  C  CD2  . PHE   A 1 45  ? -15.192 -3.752  5.125   1.000 18.089 0 157 PHE   A CD2  1 ? 
ATOM   726  C  CE1  . PHE   A 1 45  ? -17.220 -1.992  5.748   1.000 20.568 0 157 PHE   A CE1  1 ? 
ATOM   727  C  CE2  . PHE   A 1 45  ? -15.372 -3.325  6.434   1.000 19.601 0 157 PHE   A CE2  1 ? 
ATOM   728  C  CZ   . PHE   A 1 45  ? -16.352 -2.392  6.719   1.000 19.374 0 157 PHE   A CZ   1 ? 
ATOM   729  H  H    . PHE   A 1 45  ? -14.995 -3.343  -0.078  1.000 17.783 0 157 PHE   A H    1 c 
ATOM   730  H  HA   . PHE   A 1 45  ? -17.045 -2.548  1.591   1.000 18.347 0 157 PHE   A HA   1 c 
ATOM   731  H  HB2  . PHE   A 1 45  ? -16.503 -4.585  2.572   1.000 19.387 0 157 PHE   A HB2  1 c 
ATOM   732  H  HB3  . PHE   A 1 45  ? -14.972 -4.203  2.622   1.000 19.456 0 157 PHE   A HB3  1 c 
ATOM   733  H  HD1  . PHE   A 1 45  ? -17.641 -2.126  3.772   1.000 20.285 0 157 PHE   A HD1  1 c 
ATOM   734  H  HD2  . PHE   A 1 45  ? -14.510 -4.373  4.925   1.000 18.356 0 157 PHE   A HD2  1 c 
ATOM   735  H  HE1  . PHE   A 1 45  ? -17.896 -1.366  5.949   1.000 20.362 0 157 PHE   A HE1  1 c 
ATOM   736  H  HE2  . PHE   A 1 45  ? -14.780 -3.613  7.110   1.000 19.236 0 157 PHE   A HE2  1 c 
ATOM   737  H  HZ   . PHE   A 1 45  ? -16.473 -2.097  7.607   1.000 19.582 0 157 PHE   A HZ   1 c 
ATOM   738  N  N    . HIS   A 1 46  ? -15.907 -0.463  1.759   1.000 17.713 0 158 HIS   A N    1 ? 
ATOM   739  C  CA   . HIS   A 1 46  ? -15.321 0.851   2.032   1.000 20.019 0 158 HIS   A CA   1 ? 
ATOM   740  C  C    . HIS   A 1 46  ? -15.786 1.250   3.427   1.000 17.478 0 158 HIS   A C    1 ? 
ATOM   741  O  O    . HIS   A 1 46  ? -17.000 1.279   3.650   1.000 18.420 0 158 HIS   A O    1 ? 
ATOM   742  C  CB   . HIS   A 1 46  ? -15.854 1.804   0.980   1.000 19.495 0 158 HIS   A CB   1 ? 
ATOM   743  C  CG   . HIS   A 1 46  ? -15.490 3.250   1.125   1.000 19.017 0 158 HIS   A CG   1 ? 
ATOM   744  N  ND1  . HIS   A 1 46  ? -14.279 3.742   0.706   1.000 19.254 0 158 HIS   A ND1  1 ? 
ATOM   745  C  CD2  . HIS   A 1 46  ? -16.226 4.295   1.530   1.000 19.534 0 158 HIS   A CD2  1 ? 
ATOM   746  C  CE1  . HIS   A 1 46  ? -14.292 5.087   0.839   1.000 19.607 0 158 HIS   A CE1  1 ? 
ATOM   747  N  NE2  . HIS   A 1 46  ? -15.447 5.440   1.364   1.000 20.697 0 158 HIS   A NE2  1 ? 
ATOM   748  H  H    . HIS   A 1 46  ? -16.805 -0.502  1.591   1.000 18.068 0 158 HIS   A H    1 c 
ATOM   749  H  HA   . HIS   A 1 46  ? -14.337 0.801   2.010   1.000 19.178 0 158 HIS   A HA   1 c 
ATOM   750  H  HB2  . HIS   A 1 46  ? -15.545 1.495   0.102   1.000 19.371 0 158 HIS   A HB2  1 c 
ATOM   751  H  HB3  . HIS   A 1 46  ? -16.832 1.732   0.970   1.000 19.500 0 158 HIS   A HB3  1 c 
ATOM   752  H  HD1  . HIS   A 1 46  ? -13.654 3.275   0.304   0.000 19.716 0 158 HIS   A HD1  1 c 
ATOM   753  H  HD2  . HIS   A 1 46  ? -17.103 4.272   1.858   1.000 19.592 0 158 HIS   A HD2  1 c 
ATOM   754  H  HE1  . HIS   A 1 46  ? -13.567 5.662   0.663   1.000 19.335 0 158 HIS   A HE1  1 c 
ATOM   755  H  HE2  . HIS   A 1 46  ? -15.697 6.269   1.545   0.000 20.766 0 158 HIS   A HE2  1 c 
ATOM   756  N  N    . PHE   A 1 47  ? -14.818 1.531   4.315   1.000 19.274 0 159 PHE   A N    1 ? 
ATOM   757  C  CA   . PHE   A 1 47  ? -15.022 1.974   5.680   1.000 18.604 0 159 PHE   A CA   1 ? 
ATOM   758  C  C    . PHE   A 1 47  ? -14.472 3.398   5.785   1.000 17.160 0 159 PHE   A C    1 ? 
ATOM   759  O  O    . PHE   A 1 47  ? -13.254 3.592   5.673   1.000 19.147 0 159 PHE   A O    1 ? 
ATOM   760  C  CB   . PHE   A 1 47  ? -14.302 0.975   6.586   1.000 20.620 0 159 PHE   A CB   1 ? 
ATOM   761  C  CG   . PHE   A 1 47  ? -14.280 1.340   8.057   1.000 20.308 0 159 PHE   A CG   1 ? 
ATOM   762  C  CD1  . PHE   A 1 47  ? -15.344 1.021   8.888   1.000 21.188 0 159 PHE   A CD1  1 ? 
ATOM   763  C  CD2  . PHE   A 1 47  ? -13.194 2.024   8.594   1.000 19.913 0 159 PHE   A CD2  1 ? 
ATOM   764  C  CE1  . PHE   A 1 47  ? -15.303 1.330   10.235  1.000 20.782 0 159 PHE   A CE1  1 ? 
ATOM   765  C  CE2  . PHE   A 1 47  ? -13.159 2.319   9.945   1.000 19.820 0 159 PHE   A CE2  1 ? 
ATOM   766  C  CZ   . PHE   A 1 47  ? -14.206 1.974   10.756  1.000 20.490 0 159 PHE   A CZ   1 ? 
ATOM   767  H  H    . PHE   A 1 47  ? -13.955 1.435   4.030   1.000 18.777 0 159 PHE   A H    1 c 
ATOM   768  H  HA   . PHE   A 1 47  ? -15.994 1.972   5.888   1.000 18.702 0 159 PHE   A HA   1 c 
ATOM   769  H  HB2  . PHE   A 1 47  ? -14.734 0.098   6.485   1.000 20.354 0 159 PHE   A HB2  1 c 
ATOM   770  H  HB3  . PHE   A 1 47  ? -13.376 0.885   6.271   1.000 20.318 0 159 PHE   A HB3  1 c 
ATOM   771  H  HD1  . PHE   A 1 47  ? -16.087 0.557   8.536   1.000 20.991 0 159 PHE   A HD1  1 c 
ATOM   772  H  HD2  . PHE   A 1 47  ? -12.460 2.245   8.043   1.000 19.992 0 159 PHE   A HD2  1 c 
ATOM   773  H  HE1  . PHE   A 1 47  ? -16.028 1.100   10.794  1.000 20.865 0 159 PHE   A HE1  1 c 
ATOM   774  H  HE2  . PHE   A 1 47  ? -12.415 2.773   10.306  1.000 19.764 0 159 PHE   A HE2  1 c 
ATOM   775  H  HZ   . PHE   A 1 47  ? -14.186 2.206   11.671  1.000 20.426 0 159 PHE   A HZ   1 c 
ATOM   776  N  N    . ASN   A 1 48  ? -15.365 4.359   6.035   1.000 19.589 0 160 ASN   A N    1 ? 
ATOM   777  C  CA   . ASN   A 1 48  ? -15.017 5.769   5.823   1.000 20.482 0 160 ASN   A CA   1 ? 
ATOM   778  C  C    . ASN   A 1 48  ? -15.448 6.656   7.004   1.000 21.362 0 160 ASN   A C    1 ? 
ATOM   779  O  O    . ASN   A 1 48  ? -16.531 7.244   7.009   1.000 21.824 0 160 ASN   A O    1 ? 
ATOM   780  C  CB   . ASN   A 1 48  ? -15.573 6.216   4.481   1.000 19.328 0 160 ASN   A CB   1 ? 
ATOM   781  C  CG   . ASN   A 1 48  ? -15.391 7.696   4.206   1.000 20.286 0 160 ASN   A CG   1 ? 
ATOM   782  O  OD1  . ASN   A 1 48  ? -16.256 8.283   3.559   1.000 24.882 0 160 ASN   A OD1  1 ? 
ATOM   783  N  ND2  . ASN   A 1 48  ? -14.270 8.276   4.608   1.000 24.131 0 160 ASN   A ND2  1 ? 
ATOM   784  H  H    . ASN   A 1 48  ? -16.198 4.145   6.342   1.000 19.157 0 160 ASN   A H    1 c 
ATOM   785  H  HA   . ASN   A 1 48  ? -14.041 5.826   5.755   1.000 20.312 0 160 ASN   A HA   1 c 
ATOM   786  H  HB2  . ASN   A 1 48  ? -15.129 5.709   3.774   1.000 19.616 0 160 ASN   A HB2  1 c 
ATOM   787  H  HB3  . ASN   A 1 48  ? -16.527 6.006   4.445   1.000 19.678 0 160 ASN   A HB3  1 c 
ATOM   788  H  HD21 . ASN   A 1 48  ? -13.579 7.787   4.874   1.000 22.995 0 160 ASN   A HD21 1 c 
ATOM   789  H  HD22 . ASN   A 1 48  ? -14.209 9.161   4.606   1.000 23.414 0 160 ASN   A HD22 1 c 
ATOM   790  N  N    . PRO   A 1 49  ? -14.636 6.744   8.081   1.000 22.966 0 161 PRO   A N    1 ? 
ATOM   791  C  CA   . PRO   A 1 49  ? -14.850 7.764   9.118   1.000 23.367 0 161 PRO   A CA   1 ? 
ATOM   792  C  C    . PRO   A 1 49  ? -14.750 9.176   8.541   1.000 22.297 0 161 PRO   A C    1 ? 
ATOM   793  O  O    . PRO   A 1 49  ? -13.746 9.485   7.906   1.000 22.745 0 161 PRO   A O    1 ? 
ATOM   794  C  CB   . PRO   A 1 49  ? -13.738 7.471   10.139  1.000 22.835 0 161 PRO   A CB   1 ? 
ATOM   795  C  CG   . PRO   A 1 49  ? -13.366 5.981   9.896   1.000 21.467 0 161 PRO   A CG   1 ? 
ATOM   796  C  CD   . PRO   A 1 49  ? -13.534 5.816   8.404   1.000 21.210 0 161 PRO   A CD   1 ? 
ATOM   797  H  HA   . PRO   A 1 49  ? -15.736 7.625   9.537   1.000 23.035 0 161 PRO   A HA   1 c 
ATOM   798  H  HB2  . PRO   A 1 49  ? -12.959 8.056   9.989   1.000 22.789 0 161 PRO   A HB2  1 c 
ATOM   799  H  HB3  . PRO   A 1 49  ? -14.064 7.605   11.060  1.000 22.759 0 161 PRO   A HB3  1 c 
ATOM   800  H  HG2  . PRO   A 1 49  ? -12.441 5.801   10.167  1.000 21.663 0 161 PRO   A HG2  1 c 
ATOM   801  H  HG3  . PRO   A 1 49  ? -13.967 5.383   10.387  1.000 21.608 0 161 PRO   A HG3  1 c 
ATOM   802  H  HD2  . PRO   A 1 49  ? -12.711 6.061   7.929   1.000 21.388 0 161 PRO   A HD2  1 c 
ATOM   803  H  HD3  . PRO   A 1 49  ? -13.772 4.889   8.178   1.000 21.455 0 161 PRO   A HD3  1 c 
ATOM   804  N  N    . ARG   A 1 50  ? -15.819 9.968   8.744   1.000 21.020 0 162 ARG   A N    1 ? 
ATOM   805  C  CA   . ARG   A 1 50  ? -15.868 11.382  8.385   1.000 23.542 0 162 ARG   A CA   1 ? 
ATOM   806  C  C    . ARG   A 1 50  ? -15.968 12.195  9.672   1.000 21.718 0 162 ARG   A C    1 ? 
ATOM   807  O  O    . ARG   A 1 50  ? -16.921 12.020  10.431  1.000 23.700 0 162 ARG   A O    1 ? 
ATOM   808  C  CB   . ARG   A 1 50  ? -17.081 11.640  7.483   1.000 23.320 0 162 ARG   A CB   1 ? 
ATOM   809  C  CG   . ARG   A 1 50  ? -17.050 10.788  6.231   1.000 24.743 0 162 ARG   A CG   1 ? 
ATOM   810  C  CD   . ARG   A 1 50  ? -18.196 11.036  5.264   1.000 24.438 0 162 ARG   A CD   1 ? 
ATOM   811  N  NE   . ARG   A 1 50  ? -18.144 10.145  4.103   1.000 22.455 0 162 ARG   A NE   1 ? 
ATOM   812  C  CZ   . ARG   A 1 50  ? -19.020 10.156  3.116   1.000 23.295 0 162 ARG   A CZ   1 ? 
ATOM   813  N  NH1  . ARG   A 1 50  ? -20.080 10.947  3.149   1.000 22.268 0 162 ARG   A NH1  1 ? 
ATOM   814  N  NH2  . ARG   A 1 50  ? -18.846 9.358   2.095   1.000 23.512 0 162 ARG   A NH2  1 ? 
ATOM   815  H  H    . ARG   A 1 50  ? -16.560 9.598   9.130   1.000 21.570 0 162 ARG   A H    1 c 
ATOM   816  H  HA   . ARG   A 1 50  ? -15.036 11.622  7.905   1.000 22.830 0 162 ARG   A HA   1 c 
ATOM   817  H  HB2  . ARG   A 1 50  ? -17.902 11.445  7.983   1.000 23.644 0 162 ARG   A HB2  1 c 
ATOM   818  H  HB3  . ARG   A 1 50  ? -17.098 12.587  7.227   1.000 23.630 0 162 ARG   A HB3  1 c 
ATOM   819  H  HG2  . ARG   A 1 50  ? -16.204 10.949  5.759   1.000 24.517 0 162 ARG   A HG2  1 c 
ATOM   820  H  HG3  . ARG   A 1 50  ? -17.063 9.841   6.490   1.000 24.524 0 162 ARG   A HG3  1 c 
ATOM   821  H  HD2  . ARG   A 1 50  ? -19.045 10.903  5.733   1.000 24.103 0 162 ARG   A HD2  1 c 
ATOM   822  H  HD3  . ARG   A 1 50  ? -18.164 11.965  4.958   1.000 24.201 0 162 ARG   A HD3  1 c 
ATOM   823  H  HE   . ARG   A 1 50  ? -17.491 9.571   4.061   1.000 22.633 0 162 ARG   A HE   1 c 
ATOM   824  H  HH11 . ARG   A 1 50  ? -20.659 10.933  2.480   1.000 22.454 0 162 ARG   A HH11 1 c 
ATOM   825  H  HH12 . ARG   A 1 50  ? -20.215 11.490  3.832   1.000 22.632 0 162 ARG   A HH12 1 c 
ATOM   826  H  HH21 . ARG   A 1 50  ? -19.429 9.360   1.429   1.000 23.547 0 162 ARG   A HH21 1 c 
ATOM   827  H  HH22 . ARG   A 1 50  ? -18.148 8.816   2.069   1.000 23.299 0 162 ARG   A HH22 1 c 
ATOM   828  N  N    . PHE   A 1 51  ? -14.995 13.100  9.873   1.000 24.413 0 163 PHE   A N    1 ? 
ATOM   829  C  CA   . PHE   A 1 51  ? -14.889 13.938  11.071  1.000 26.456 0 163 PHE   A CA   1 ? 
ATOM   830  C  C    . PHE   A 1 51  ? -15.822 15.154  11.007  1.000 27.500 0 163 PHE   A C    1 ? 
ATOM   831  O  O    . PHE   A 1 51  ? -16.161 15.725  12.040  1.000 27.700 0 163 PHE   A O    1 ? 
ATOM   832  C  CB   . PHE   A 1 51  ? -13.431 14.373  11.281  1.000 28.879 0 163 PHE   A CB   1 ? 
ATOM   833  C  CG   . PHE   A 1 51  ? -12.558 13.217  11.748  1.000 26.081 0 163 PHE   A CG   1 ? 
ATOM   834  C  CD1  . PHE   A 1 51  ? -12.117 12.273  10.841  1.000 29.206 0 163 PHE   A CD1  1 ? 
ATOM   835  C  CD2  . PHE   A 1 51  ? -12.188 13.080  13.077  1.000 27.724 0 163 PHE   A CD2  1 ? 
ATOM   836  C  CE1  . PHE   A 1 51  ? -11.364 11.183  11.264  1.000 30.172 0 163 PHE   A CE1  1 ? 
ATOM   837  C  CE2  . PHE   A 1 51  ? -11.429 11.988  13.499  1.000 29.768 0 163 PHE   A CE2  1 ? 
ATOM   838  C  CZ   . PHE   A 1 51  ? -10.993 11.061  12.581  1.000 29.091 0 163 PHE   A CZ   1 ? 
ATOM   839  H  H    . PHE   A 1 51  ? -14.366 13.205  9.219   1.000 24.259 0 163 PHE   A H    1 c 
ATOM   840  H  HA   . PHE   A 1 51  ? -15.157 13.387  11.854  1.000 26.418 0 163 PHE   A HA   1 c 
ATOM   841  H  HB2  . PHE   A 1 51  ? -13.078 14.727  10.435  1.000 28.055 0 163 PHE   A HB2  1 c 
ATOM   842  H  HB3  . PHE   A 1 51  ? -13.406 15.090  11.953  1.000 28.174 0 163 PHE   A HB3  1 c 
ATOM   843  H  HD1  . PHE   A 1 51  ? -12.369 12.344  9.935   1.000 28.785 0 163 PHE   A HD1  1 c 
ATOM   844  H  HD2  . PHE   A 1 51  ? -12.485 13.716  13.709  1.000 28.118 0 163 PHE   A HD2  1 c 
ATOM   845  H  HE1  . PHE   A 1 51  ? -11.064 10.549  10.632  1.000 30.028 0 163 PHE   A HE1  1 c 
ATOM   846  H  HE2  . PHE   A 1 51  ? -11.177 11.910  14.405  1.000 29.261 0 163 PHE   A HE2  1 c 
ATOM   847  H  HZ   . PHE   A 1 51  ? -10.468 10.328  12.859  1.000 29.253 0 163 PHE   A HZ   1 c 
ATOM   848  N  N    . ASN   A 1 52  ? -16.249 15.579  9.816   1.000 26.172 0 164 ASN   A N    1 ? 
ATOM   849  C  CA   . ASN   A 1 52  ? -17.119 16.753  9.708   1.000 27.465 0 164 ASN   A CA   1 ? 
ATOM   850  C  C    . ASN   A 1 52  ? -18.002 16.624  8.475   1.000 28.223 0 164 ASN   A C    1 ? 
ATOM   851  O  O    . ASN   A 1 52  ? -17.730 17.238  7.457   1.000 32.890 0 164 ASN   A O    1 ? 
ATOM   852  C  CB   . ASN   A 1 52  ? -16.322 18.044  9.673   1.000 33.868 0 164 ASN   A CB   1 ? 
ATOM   853  C  CG   . ASN   A 1 52  ? -17.215 19.270  9.681   1.000 38.563 0 164 ASN   A CG   1 ? 
ATOM   854  O  OD1  . ASN   A 1 52  ? -18.422 19.202  9.425   1.000 45.069 0 164 ASN   A OD1  1 ? 
ATOM   855  N  ND2  . ASN   A 1 52  ? -16.624 20.418  9.931   1.000 41.645 0 164 ASN   A ND2  1 ? 
ATOM   856  H  H    . ASN   A 1 52  ? -15.996 15.141  9.055   1.000 26.545 0 164 ASN   A H    1 c 
ATOM   857  H  HA   . ASN   A 1 52  ? -17.700 16.785  10.502  1.000 28.063 0 164 ASN   A HA   1 c 
ATOM   858  H  HB2  . ASN   A 1 52  ? -15.728 18.075  10.449  1.000 33.152 0 164 ASN   A HB2  1 c 
ATOM   859  H  HB3  . ASN   A 1 52  ? -15.767 18.057  8.867   1.000 33.022 0 164 ASN   A HB3  1 c 
ATOM   860  H  HD21 . ASN   A 1 52  ? -15.756 20.443  10.107  1.000 40.914 0 164 ASN   A HD21 1 c 
ATOM   861  H  HD22 . ASN   A 1 52  ? -17.098 21.169  9.923   1.000 40.800 0 164 ASN   A HD22 1 c 
ATOM   862  N  N    . GLU   A 1 53  ? -19.025 15.766  8.567   1.000 29.047 0 165 GLU   A N    1 ? 
ATOM   863  C  CA   . GLU   A 1 53  ? -20.097 15.740  7.590   1.000 28.125 0 165 GLU   A CA   1 ? 
ATOM   864  C  C    . GLU   A 1 53  ? -21.286 16.509  8.159   1.000 28.483 0 165 GLU   A C    1 ? 
ATOM   865  O  O    . GLU   A 1 53  ? -21.938 16.068  9.097   1.000 28.772 0 165 GLU   A O    1 ? 
ATOM   866  C  CB   . GLU   A 1 53  ? -20.527 14.309  7.286   1.000 31.172 0 165 GLU   A CB   1 ? 
ATOM   867  C  CG   . GLU   A 1 53  ? -21.438 14.253  6.068   1.000 31.523 0 165 GLU   A CG   1 ? 
ATOM   868  C  CD   . GLU   A 1 53  ? -22.099 12.893  5.933   1.000 32.310 0 165 GLU   A CD   1 ? 
ATOM   869  O  OE1  . GLU   A 1 53  ? -22.922 12.509  6.795   1.000 32.653 0 165 GLU   A OE1  1 ? 
ATOM   870  O  OE2  . GLU   A 1 53  ? -21.769 12.215  4.974   1.000 33.686 0 165 GLU   A OE2  1 ? 
ATOM   871  H  H    . GLU   A 1 53  ? -19.053 15.179  9.267   1.000 29.198 0 165 GLU   A H    1 c 
ATOM   872  H  HA   . GLU   A 1 53  ? -19.788 16.178  6.757   1.000 28.582 0 165 GLU   A HA   1 c 
ATOM   873  H  HB2  . GLU   A 1 53  ? -19.729 13.764  7.125   1.000 30.823 0 165 GLU   A HB2  1 c 
ATOM   874  H  HB3  . GLU   A 1 53  ? -20.992 13.940  8.066   1.000 30.854 0 165 GLU   A HB3  1 c 
ATOM   875  H  HG2  . GLU   A 1 53  ? -22.132 14.941  6.142   1.000 31.514 0 165 GLU   A HG2  1 c 
ATOM   876  H  HG3  . GLU   A 1 53  ? -20.911 14.434  5.259   1.000 31.572 0 165 GLU   A HG3  1 c 
ATOM   877  N  N    . ASN   A 1 54  ? -21.524 17.703  7.630   1.000 29.683 0 166 ASN   A N    1 ? 
ATOM   878  C  CA   . ASN   A 1 54  ? -22.576 18.581  8.140   1.000 32.654 0 166 ASN   A CA   1 ? 
ATOM   879  C  C    . ASN   A 1 54  ? -22.379 18.814  9.647   1.000 27.652 0 166 ASN   A C    1 ? 
ATOM   880  O  O    . ASN   A 1 54  ? -23.333 18.786  10.442  1.000 28.505 0 166 ASN   A O    1 ? 
ATOM   881  C  CB   . ASN   A 1 54  ? -23.953 18.018  7.774   1.000 38.353 0 166 ASN   A CB   1 ? 
ATOM   882  C  CG   . ASN   A 1 54  ? -25.089 18.908  8.217   1.000 39.151 0 166 ASN   A CG   1 ? 
ATOM   883  O  OD1  . ASN   A 1 54  ? -26.136 18.427  8.671   1.000 51.783 0 166 ASN   A OD1  1 ? 
ATOM   884  N  ND2  . ASN   A 1 54  ? -24.902 20.204  8.082   1.000 39.451 0 166 ASN   A ND2  1 ? 
ATOM   885  H  H    . ASN   A 1 54  ? -21.015 17.990  6.928   1.000 29.802 0 166 ASN   A H    1 c 
ATOM   886  H  HA   . ASN   A 1 54  ? -22.483 19.447  7.684   1.000 32.246 0 166 ASN   A HA   1 c 
ATOM   887  H  HB2  . ASN   A 1 54  ? -24.002 17.900  6.804   1.000 37.601 0 166 ASN   A HB2  1 c 
ATOM   888  H  HB3  . ASN   A 1 54  ? -24.060 17.140  8.189   1.000 37.728 0 166 ASN   A HB3  1 c 
ATOM   889  H  HD21 . ASN   A 1 54  ? -24.249 20.519  7.569   1.000 39.520 0 166 ASN   A HD21 1 c 
ATOM   890  H  HD22 . ASN   A 1 54  ? -25.441 20.770  8.505   1.000 39.371 0 166 ASN   A HD22 1 c 
ATOM   891  N  N    . ASN   A 1 55  ? -21.116 19.022  10.023  1.000 27.696 0 167 ASN   A N    1 ? 
ATOM   892  C  CA   . ASN   A 1 55  ? -20.700 19.285  11.396  1.000 28.738 0 167 ASN   A CA   1 ? 
ATOM   893  C  C    . ASN   A 1 55  ? -21.031 18.136  12.340  1.000 29.274 0 167 ASN   A C    1 ? 
ATOM   894  O  O    . ASN   A 1 55  ? -21.197 18.368  13.534  1.000 32.885 0 167 ASN   A O    1 ? 
ATOM   895  C  CB   . ASN   A 1 55  ? -21.268 20.612  11.888  1.000 28.725 0 167 ASN   A CB   1 ? 
ATOM   896  C  CG   . ASN   A 1 55  ? -20.636 21.735  11.108  1.000 29.310 0 167 ASN   A CG   1 ? 
ATOM   897  O  OD1  . ASN   A 1 55  ? -21.292 22.378  10.281  1.000 35.044 0 167 ASN   A OD1  1 ? 
ATOM   898  N  ND2  . ASN   A 1 55  ? -19.339 21.908  11.290  1.000 31.236 0 167 ASN   A ND2  1 ? 
ATOM   899  H  H    . ASN   A 1 55  ? -20.465 19.003  9.382   1.000 28.043 0 167 ASN   A H    1 c 
ATOM   900  H  HA   . ASN   A 1 55  ? -19.724 19.376  11.394  1.000 28.666 0 167 ASN   A HA   1 c 
ATOM   901  H  HB2  . ASN   A 1 55  ? -22.237 20.626  11.764  1.000 28.804 0 167 ASN   A HB2  1 c 
ATOM   902  H  HB3  . ASN   A 1 55  ? -21.076 20.722  12.840  1.000 28.934 0 167 ASN   A HB3  1 c 
ATOM   903  H  HD21 . ASN   A 1 55  ? -18.840 21.268  11.639  1.000 30.880 0 167 ASN   A HD21 1 c 
ATOM   904  H  HD22 . ASN   A 1 55  ? -18.966 22.670  11.036  1.000 30.606 0 167 ASN   A HD22 1 c 
ATOM   905  N  N    . ARG   A 1 56  ? -21.085 16.907  11.815  1.000 29.125 0 168 ARG   A N    1 ? 
ATOM   906  C  CA   . ARG   A 1 56  ? -21.262 15.701  12.619  1.000 32.674 0 168 ARG   A CA   1 ? 
ATOM   907  C  C    . ARG   A 1 56  ? -20.151 14.722  12.257  1.000 26.552 0 168 ARG   A C    1 ? 
ATOM   908  O  O    . ARG   A 1 56  ? -19.595 14.810  11.167  1.000 28.383 0 168 ARG   A O    1 ? 
ATOM   909  C  CB   . ARG   A 1 56  ? -22.622 15.028  12.358  1.000 33.103 0 168 ARG   A CB   1 ? 
ATOM   910  C  CG   . ARG   A 1 56  ? -23.805 15.879  12.801  1.000 38.043 0 168 ARG   A CG   1 ? 
ATOM   911  C  CD   . ARG   A 1 56  ? -25.016 15.684  11.923  1.000 41.742 0 168 ARG   A CD   1 ? 
ATOM   912  N  NE   . ARG   A 1 56  ? -26.106 16.637  12.181  1.000 43.558 0 168 ARG   A NE   1 ? 
ATOM   913  C  CZ   . ARG   A 1 56  ? -27.356 16.303  12.489  1.000 45.317 0 168 ARG   A CZ   1 ? 
ATOM   914  N  NH1  . ARG   A 1 56  ? -28.309 17.214  12.481  1.000 51.564 0 168 ARG   A NH1  1 ? 
ATOM   915  N  NH2  . ARG   A 1 56  ? -27.680 15.055  12.770  1.000 48.745 0 168 ARG   A NH2  1 ? 
ATOM   916  H  H    . ARG   A 1 56  ? -20.993 16.811  10.911  1.000 29.627 0 168 ARG   A H    1 c 
ATOM   917  H  HA   . ARG   A 1 56  ? -21.185 15.939  13.578  1.000 31.076 0 168 ARG   A HA   1 c 
ATOM   918  H  HB2  . ARG   A 1 56  ? -22.705 14.842  11.398  1.000 33.766 0 168 ARG   A HB2  1 c 
ATOM   919  H  HB3  . ARG   A 1 56  ? -22.652 14.171  12.834  1.000 33.171 0 168 ARG   A HB3  1 c 
ATOM   920  H  HG2  . ARG   A 1 56  ? -24.041 15.646  13.725  1.000 37.597 0 168 ARG   A HG2  1 c 
ATOM   921  H  HG3  . ARG   A 1 56  ? -23.549 16.827  12.785  1.000 37.762 0 168 ARG   A HG3  1 c 
ATOM   922  H  HD2  . ARG   A 1 56  ? -24.736 15.772  10.989  1.000 41.322 0 168 ARG   A HD2  1 c 
ATOM   923  H  HD3  . ARG   A 1 56  ? -25.345 14.772  12.044  1.000 41.432 0 168 ARG   A HD3  1 c 
ATOM   924  H  HE   . ARG   A 1 56  ? -25.918 17.487  12.132  1.000 43.791 0 168 ARG   A HE   1 c 
ATOM   925  H  HH11 . ARG   A 1 56  ? -29.140 16.984  12.678  1.000 49.963 0 168 ARG   A HH11 1 c 
ATOM   926  H  HH12 . ARG   A 1 56  ? -28.117 18.053  12.277  1.000 49.917 0 168 ARG   A HH12 1 c 
ATOM   927  H  HH21 . ARG   A 1 56  ? -28.489 14.755  12.557  1.000 47.875 0 168 ARG   A HH21 1 c 
ATOM   928  H  HH22 . ARG   A 1 56  ? -27.097 14.521  13.175  1.000 47.825 0 168 ARG   A HH22 1 c 
ATOM   929  N  N    . ARG   A 1 57  ? -19.830 13.824  13.188  1.000 24.772 0 169 ARG   A N    1 ? 
ATOM   930  C  CA   . ARG   A 1 57  ? -18.879 12.739  12.945  1.000 25.103 0 169 ARG   A CA   1 ? 
ATOM   931  C  C    . ARG   A 1 57  ? -19.713 11.497  12.682  1.000 24.735 0 169 ARG   A C    1 ? 
ATOM   932  O  O    . ARG   A 1 57  ? -20.612 11.210  13.462  1.000 28.579 0 169 ARG   A O    1 ? 
ATOM   933  C  CB   . ARG   A 1 57  ? -17.925 12.585  14.138  1.000 26.977 0 169 ARG   A CB   1 ? 
ATOM   934  C  CG   . ARG   A 1 57  ? -17.284 13.920  14.522  1.000 28.764 0 169 ARG   A CG   1 ? 
ATOM   935  C  CD   . ARG   A 1 57  ? -16.044 13.805  15.397  1.000 29.417 0 169 ARG   A CD   1 ? 
ATOM   936  N  NE   . ARG   A 1 57  ? -16.277 12.965  16.578  1.000 31.241 0 169 ARG   A NE   1 ? 
ATOM   937  C  CZ   . ARG   A 1 57  ? -15.322 12.570  17.423  1.000 32.827 0 169 ARG   A CZ   1 ? 
ATOM   938  N  NH1  . ARG   A 1 57  ? -15.645 11.786  18.439  1.000 32.073 0 169 ARG   A NH1  1 ? 
ATOM   939  N  NH2  . ARG   A 1 57  ? -14.060 12.963  17.252  1.000 38.296 0 169 ARG   A NH2  1 ? 
ATOM   940  H  H    . ARG   A 1 57  ? -20.221 13.885  14.012  1.000 25.050 0 169 ARG   A H    1 c 
ATOM   941  H  HA   . ARG   A 1 57  ? -18.351 12.957  12.139  1.000 25.364 0 169 ARG   A HA   1 c 
ATOM   942  H  HB2  . ARG   A 1 57  ? -18.424 12.233  14.907  1.000 26.922 0 169 ARG   A HB2  1 c 
ATOM   943  H  HB3  . ARG   A 1 57  ? -17.221 11.941  13.911  1.000 26.901 0 169 ARG   A HB3  1 c 
ATOM   944  H  HG2  . ARG   A 1 57  ? -17.043 14.400  13.702  1.000 28.619 0 169 ARG   A HG2  1 c 
ATOM   945  H  HG3  . ARG   A 1 57  ? -17.949 14.467  14.995  1.000 28.587 0 169 ARG   A HG3  1 c 
ATOM   946  H  HD2  . ARG   A 1 57  ? -15.314 13.424  14.868  1.000 29.741 0 169 ARG   A HD2  1 c 
ATOM   947  H  HD3  . ARG   A 1 57  ? -15.771 14.700  15.687  1.000 29.785 0 169 ARG   A HD3  1 c 
ATOM   948  H  HE   . ARG   A 1 57  ? -17.094 12.711  16.745  1.000 31.141 0 169 ARG   A HE   1 c 
ATOM   949  H  HH11 . ARG   A 1 57  ? -15.018 11.506  18.995  1.000 32.560 0 169 ARG   A HH11 1 c 
ATOM   950  H  HH12 . ARG   A 1 57  ? -16.486 11.544  18.561  1.000 32.387 0 169 ARG   A HH12 1 c 
ATOM   951  H  HH21 . ARG   A 1 57  ? -13.427 12.639  17.773  1.000 36.654 0 169 ARG   A HH21 1 c 
ATOM   952  H  HH22 . ARG   A 1 57  ? -13.854 13.544  16.620  1.000 36.640 0 169 ARG   A HH22 1 c 
ATOM   953  N  N    . VAL   A 1 58  ? -19.390 10.778  11.602  1.000 24.700 0 170 VAL   A N    1 ? 
ATOM   954  C  CA   . VAL   A 1 58  ? -20.135 9.595   11.193  1.000 23.836 0 170 VAL   A CA   1 ? 
ATOM   955  C  C    . VAL   A 1 58  ? -19.164 8.620   10.522  1.000 21.151 0 170 VAL   A C    1 ? 
ATOM   956  O  O    . VAL   A 1 58  ? -18.173 9.022   9.933   1.000 24.239 0 170 VAL   A O    1 ? 
ATOM   957  C  CB   . VAL   A 1 58  ? -21.289 9.935   10.226  1.000 23.375 0 170 VAL   A CB   1 ? 
ATOM   958  C  CG1  . VAL   A 1 58  ? -20.738 10.573  8.949   1.000 25.679 0 170 VAL   A CG1  1 ? 
ATOM   959  C  CG2  . VAL   A 1 58  ? -22.176 8.719   9.890   1.000 26.366 0 170 VAL   A CG2  1 ? 
ATOM   960  H  H    . VAL   A 1 58  ? -18.673 11.037  11.098  1.000 24.492 0 170 VAL   A H    1 c 
ATOM   961  H  HA   . VAL   A 1 58  ? -20.508 9.169   11.989  1.000 23.680 0 170 VAL   A HA   1 c 
ATOM   962  H  HB   . VAL   A 1 58  ? -21.856 10.604  10.676  1.000 24.232 0 170 VAL   A HB   1 c 
ATOM   963  H  HG11 . VAL   A 1 58  ? -20.159 9.942   8.490   1.000 25.310 0 170 VAL   A HG11 1 c 
ATOM   964  H  HG12 . VAL   A 1 58  ? -20.232 11.371  9.176   1.000 25.483 0 170 VAL   A HG12 1 c 
ATOM   965  H  HG13 . VAL   A 1 58  ? -21.476 10.815  8.364   1.000 25.108 0 170 VAL   A HG13 1 c 
ATOM   966  H  HG21 . VAL   A 1 58  ? -22.902 8.999   9.307   1.000 25.765 0 170 VAL   A HG21 1 c 
ATOM   967  H  HG22 . VAL   A 1 58  ? -22.545 8.350   10.710  1.000 25.835 0 170 VAL   A HG22 1 c 
ATOM   968  H  HG23 . VAL   A 1 58  ? -21.646 8.041   9.440   1.000 25.702 0 170 VAL   A HG23 1 c 
ATOM   969  N  N    . ILE   A 1 59  ? -19.466 7.318   10.661  1.000 22.171 0 171 ILE   A N    1 ? 
ATOM   970  C  CA   . ILE   A 1 59  ? -18.848 6.270   9.861   1.000 25.198 0 171 ILE   A CA   1 ? 
ATOM   971  C  C    . ILE   A 1 59  ? -19.772 5.914   8.683   1.000 22.222 0 171 ILE   A C    1 ? 
ATOM   972  O  O    . ILE   A 1 59  ? -20.912 5.501   8.898   1.000 24.180 0 171 ILE   A O    1 ? 
ATOM   973  C  CB   . ILE   A 1 59  ? -18.577 4.993   10.682  1.000 27.302 0 171 ILE   A CB   1 ? 
ATOM   974  C  CG1  . ILE   A 1 59  ? -18.006 5.220   12.097  1.000 31.639 0 171 ILE   A CG1  1 ? 
ATOM   975  C  CG2  . ILE   A 1 59  ? -17.700 4.067   9.851   1.000 28.775 0 171 ILE   A CG2  1 ? 
ATOM   976  C  CD1  . ILE   A 1 59  ? -16.545 5.574   12.166  1.000 33.952 0 171 ILE   A CD1  1 ? 
ATOM   977  H  H    . ILE   A 1 59  ? -20.086 7.077   11.287  1.000 22.494 0 171 ILE   A H    1 c 
ATOM   978  H  HA   . ILE   A 1 59  ? -17.999 6.601   9.510   1.000 24.443 0 171 ILE   A HA   1 c 
ATOM   979  H  HB   . ILE   A 1 59  ? -19.437 4.544   10.802  1.000 27.611 0 171 ILE   A HB   1 c 
ATOM   980  H  HG12 . ILE   A 1 59  ? -18.516 5.935   12.529  1.000 30.767 0 171 ILE   A HG12 1 c 
ATOM   981  H  HG13 . ILE   A 1 59  ? -18.147 4.404   12.618  1.000 31.153 0 171 ILE   A HG13 1 c 
ATOM   982  H  HG21 . ILE   A 1 59  ? -17.483 3.274   10.369  1.000 28.308 0 171 ILE   A HG21 1 c 
ATOM   983  H  HG22 . ILE   A 1 59  ? -16.880 4.527   9.607   1.000 28.496 0 171 ILE   A HG22 1 c 
ATOM   984  H  HG23 . ILE   A 1 59  ? -18.174 3.804   9.045   1.000 28.507 0 171 ILE   A HG23 1 c 
ATOM   985  H  HD11 . ILE   A 1 59  ? -16.009 4.846   11.798  1.000 33.691 0 171 ILE   A HD11 1 c 
ATOM   986  H  HD12 . ILE   A 1 59  ? -16.292 5.719   13.098  1.000 33.405 0 171 ILE   A HD12 1 c 
ATOM   987  H  HD13 . ILE   A 1 59  ? -16.379 6.389   11.655  1.000 33.622 0 171 ILE   A HD13 1 c 
ATOM   988  N  N    . VAL   A 1 60  ? -19.248 6.013   7.453   1.000 20.034 0 172 VAL   A N    1 ? 
ATOM   989  C  CA   . VAL   A 1 60  ? -19.953 5.639   6.241   1.000 20.261 0 172 VAL   A CA   1 ? 
ATOM   990  C  C    . VAL   A 1 60  ? -19.311 4.358   5.697   1.000 20.999 0 172 VAL   A C    1 ? 
ATOM   991  O  O    . VAL   A 1 60  ? -18.103 4.353   5.456   1.000 21.974 0 172 VAL   A O    1 ? 
ATOM   992  C  CB   . VAL   A 1 60  ? -19.891 6.753   5.182   1.000 22.482 0 172 VAL   A CB   1 ? 
ATOM   993  C  CG1  . VAL   A 1 60  ? -20.573 6.357   3.885   1.000 24.507 0 172 VAL   A CG1  1 ? 
ATOM   994  C  CG2  . VAL   A 1 60  ? -20.461 8.069   5.695   1.000 25.468 0 172 VAL   A CG2  1 ? 
ATOM   995  H  H    . VAL   A 1 60  ? -18.397 6.336   7.372   1.000 20.510 0 172 VAL   A H    1 c 
ATOM   996  H  HA   . VAL   A 1 60  ? -20.888 5.461   6.460   1.000 20.634 0 172 VAL   A HA   1 c 
ATOM   997  H  HB   . VAL   A 1 60  ? -18.938 6.903   4.979   1.000 22.711 0 172 VAL   A HB   1 c 
ATOM   998  H  HG11 . VAL   A 1 60  ? -21.504 6.140   4.061   1.000 24.118 0 172 VAL   A HG11 1 c 
ATOM   999  H  HG12 . VAL   A 1 60  ? -20.127 5.583   3.503   1.000 24.162 0 172 VAL   A HG12 1 c 
ATOM   1000 H  HG13 . VAL   A 1 60  ? -20.528 7.097   3.256   1.000 23.932 0 172 VAL   A HG13 1 c 
ATOM   1001 H  HG21 . VAL   A 1 60  ? -20.430 8.734   4.987   1.000 24.963 0 172 VAL   A HG21 1 c 
ATOM   1002 H  HG22 . VAL   A 1 60  ? -19.935 8.379   6.451   1.000 24.797 0 172 VAL   A HG22 1 c 
ATOM   1003 H  HG23 . VAL   A 1 60  ? -21.382 7.938   5.974   1.000 24.814 0 172 VAL   A HG23 1 c 
ATOM   1004 N  N    . CYS   A 1 61  ? -20.144 3.327   5.506   1.000 20.294 0 173 CYS   A N    1 ? 
ATOM   1005 C  CA   . CYS   A 1 61  ? -19.737 2.077   4.857   1.000 21.307 0 173 CYS   A CA   1 ? 
ATOM   1006 C  C    . CYS   A 1 61  ? -20.511 1.902   3.556   1.000 20.014 0 173 CYS   A C    1 ? 
ATOM   1007 O  O    . CYS   A 1 61  ? -21.706 2.220   3.480   1.000 20.266 0 173 CYS   A O    1 ? 
ATOM   1008 C  CB   . CYS   A 1 61  ? -19.966 0.905   5.794   1.000 21.679 0 173 CYS   A CB   1 ? 
ATOM   1009 S  SG   . CYS   A 1 61  ? -18.922 1.028   7.265   1.000 24.520 0 173 CYS   A SG   1 ? 
ATOM   1010 H  H    . CYS   A 1 61  ? -21.008 3.402   5.795   1.000 20.534 0 173 CYS   A H    1 c 
ATOM   1011 H  HA   . CYS   A 1 61  ? -18.775 2.139   4.647   1.000 20.891 0 173 CYS   A HA   1 c 
ATOM   1012 H  HB2  . CYS   A 1 61  ? -20.909 0.884   6.070   1.000 21.939 0 173 CYS   A HB2  1 c 
ATOM   1013 H  HB3  . CYS   A 1 61  ? -19.762 0.065   5.325   1.000 21.777 0 173 CYS   A HB3  1 c 
ATOM   1014 H  HG   . CYS   A 1 61  ? -19.298 0.018   7.819   0.000 24.642 0 173 CYS   A HG   1 c 
ATOM   1015 N  N    . ASN   A 1 62  ? -19.840 1.355   2.547   1.000 18.514 0 174 ASN   A N    1 ? 
ATOM   1016 C  CA   . ASN   A 1 62  ? -20.476 1.126   1.249   1.000 19.813 0 174 ASN   A CA   1 ? 
ATOM   1017 C  C    . ASN   A 1 62  ? -19.637 0.149   0.419   1.000 18.092 0 174 ASN   A C    1 ? 
ATOM   1018 O  O    . ASN   A 1 62  ? -18.547 -0.257  0.837   1.000 19.898 0 174 ASN   A O    1 ? 
ATOM   1019 C  CB   . ASN   A 1 62  ? -20.745 2.473   0.566   1.000 20.949 0 174 ASN   A CB   1 ? 
ATOM   1020 C  CG   . ASN   A 1 62  ? -21.853 2.486   -0.477  1.000 21.441 0 174 ASN   A CG   1 ? 
ATOM   1021 O  OD1  . ASN   A 1 62  ? -22.468 1.463   -0.811  1.000 21.231 0 174 ASN   A OD1  1 ? 
ATOM   1022 N  ND2  . ASN   A 1 62  ? -22.197 3.669   -0.979  1.000 22.155 0 174 ASN   A ND2  1 ? 
ATOM   1023 H  H    . ASN   A 1 62  ? -18.965 1.116   2.660   1.000 19.054 0 174 ASN   A H    1 c 
ATOM   1024 H  HA   . ASN   A 1 62  ? -21.351 0.707   1.413   1.000 19.541 0 174 ASN   A HA   1 c 
ATOM   1025 H  HB2  . ASN   A 1 62  ? -20.966 3.133   1.251   1.000 20.723 0 174 ASN   A HB2  1 c 
ATOM   1026 H  HB3  . ASN   A 1 62  ? -19.918 2.769   0.135   1.000 20.872 0 174 ASN   A HB3  1 c 
ATOM   1027 H  HD21 . ASN   A 1 62  ? -21.814 4.408   -0.672  1.000 22.006 0 174 ASN   A HD21 1 c 
ATOM   1028 H  HD22 . ASN   A 1 62  ? -22.807 3.721   -1.620  1.000 21.855 0 174 ASN   A HD22 1 c 
ATOM   1029 N  N    . THR   A 1 63  ? -20.205 -0.193  -0.750  1.000 19.524 0 175 THR   A N    1 ? 
ATOM   1030 C  CA   . THR   A 1 63  ? -19.600 -1.001  -1.791  1.000 18.871 0 175 THR   A CA   1 ? 
ATOM   1031 C  C    . THR   A 1 63  ? -19.688 -0.238  -3.114  1.000 20.375 0 175 THR   A C    1 ? 
ATOM   1032 O  O    . THR   A 1 63  ? -20.669 0.463   -3.352  1.000 21.595 0 175 THR   A O    1 ? 
ATOM   1033 C  CB   . THR   A 1 63  ? -20.368 -2.340  -1.859  1.000 18.754 0 175 THR   A CB   1 ? 
ATOM   1034 O  OG1  . THR   A 1 63  ? -20.160 -3.032  -0.632  1.000 20.218 0 175 THR   A OG1  1 ? 
ATOM   1035 C  CG2  . THR   A 1 63  ? -20.027 -3.163  -3.084  1.000 21.203 0 175 THR   A CG2  1 ? 
ATOM   1036 H  H    . THR   A 1 63  ? -21.058 0.099   -0.894  1.000 19.045 0 175 THR   A H    1 c 
ATOM   1037 H  HA   . THR   A 1 63  ? -18.661 -1.170  -1.565  1.000 19.267 0 175 THR   A HA   1 c 
ATOM   1038 H  HB   . THR   A 1 63  ? -21.330 -2.129  -1.922  1.000 19.310 0 175 THR   A HB   1 c 
ATOM   1039 H  HG1  . THR   A 1 63  ? -19.324 -3.193  -0.512  0.000 20.202 0 175 THR   A HG1  1 c 
ATOM   1040 H  HG21 . THR   A 1 63  ? -20.540 -3.989  -3.071  1.000 20.771 0 175 THR   A HG21 1 c 
ATOM   1041 H  HG22 . THR   A 1 63  ? -19.080 -3.374  -3.082  1.000 20.620 0 175 THR   A HG22 1 c 
ATOM   1042 H  HG23 . THR   A 1 63  ? -20.246 -2.662  -3.886  1.000 20.711 0 175 THR   A HG23 1 c 
ATOM   1043 N  N    . LYS   A 1 64  ? -18.662 -0.390  -3.952  1.000 18.932 0 176 LYS   A N    1 ? 
ATOM   1044 C  CA   . LYS   A 1 64  ? -18.609 0.185   -5.289  1.000 20.751 0 176 LYS   A CA   1 ? 
ATOM   1045 C  C    . LYS   A 1 64  ? -18.530 -0.948  -6.304  1.000 20.559 0 176 LYS   A C    1 ? 
ATOM   1046 O  O    . LYS   A 1 64  ? -17.592 -1.765  -6.204  1.000 21.270 0 176 LYS   A O    1 ? 
ATOM   1047 C  CB   . LYS   A 1 64  ? -17.409 1.137   -5.420  1.000 25.709 0 176 LYS   A CB   1 ? 
ATOM   1048 C  CG   . LYS   A 1 64  ? -17.431 2.074   -6.612  1.000 27.971 0 176 LYS   A CG   1 ? 
ATOM   1049 C  CD   . LYS   A 1 64  ? -16.070 2.393   -7.225  1.000 33.331 0 176 LYS   A CD   1 ? 
ATOM   1050 C  CE   . LYS   A 1 64  ? -15.211 3.337   -6.525  1.000 40.420 0 176 LYS   A CE   1 ? 
ATOM   1051 N  NZ   . LYS   A 1 64  ? -14.598 4.224   -7.532  1.000 41.454 0 176 LYS   A NZ   1 ? 
ATOM   1052 H  H    . LYS   A 1 64  ? -17.951 -0.890  -3.672  1.000 19.474 0 176 LYS   A H    1 c 
ATOM   1053 H  HA   . LYS   A 1 64  ? -19.438 0.701   -5.444  1.000 20.988 0 176 LYS   A HA   1 c 
ATOM   1054 H  HB2  . LYS   A 1 64  ? -17.356 1.681   -4.605  1.000 24.997 0 176 LYS   A HB2  1 c 
ATOM   1055 H  HB3  . LYS   A 1 64  ? -16.590 0.599   -5.467  1.000 25.029 0 176 LYS   A HB3  1 c 
ATOM   1056 H  HG2  . LYS   A 1 64  ? -18.000 1.677   -7.306  1.000 28.213 0 176 LYS   A HG2  1 c 
ATOM   1057 H  HG3  . LYS   A 1 64  ? -17.852 2.916   -6.333  1.000 27.760 0 176 LYS   A HG3  1 c 
ATOM   1058 H  HD2  . LYS   A 1 64  ? -15.578 1.548   -7.321  1.000 33.267 0 176 LYS   A HD2  1 c 
ATOM   1059 H  HD3  . LYS   A 1 64  ? -16.223 2.731   -8.132  1.000 33.109 0 176 LYS   A HD3  1 c 
ATOM   1060 H  HE2  . LYS   A 1 64  ? -15.732 3.867   -5.895  1.000 38.920 0 176 LYS   A HE2  1 c 
ATOM   1061 H  HE3  . LYS   A 1 64  ? -14.514 2.862   -6.037  1.000 39.348 0 176 LYS   A HE3  1 c 
ATOM   1062 H  HZ1  . LYS   A 1 64  ? -15.239 4.694   -7.968  1.000 41.169 0 176 LYS   A HZ1  1 c 
ATOM   1063 H  HZ2  . LYS   A 1 64  ? -14.125 3.733   -8.131  1.000 41.209 0 176 LYS   A HZ2  1 c 
ATOM   1064 H  HZ3  . LYS   A 1 64  ? -14.037 4.805   -7.122  1.000 40.976 0 176 LYS   A HZ3  1 c 
ATOM   1065 N  N    . LEU   A 1 65  ? -19.536 -1.006  -7.196  1.000 22.361 0 177 LEU   A N    1 ? 
ATOM   1066 C  CA   . LEU   A 1 65  ? -19.646 -2.017  -8.247  1.000 23.075 0 177 LEU   A CA   1 ? 
ATOM   1067 C  C    . LEU   A 1 65  ? -19.734 -1.319  -9.603  1.000 24.039 0 177 LEU   A C    1 ? 
ATOM   1068 O  O    . LEU   A 1 65  ? -20.578 -0.442  -9.781  1.000 26.068 0 177 LEU   A O    1 ? 
ATOM   1069 C  CB   . LEU   A 1 65  ? -20.882 -2.904  -8.038  1.000 24.294 0 177 LEU   A CB   1 ? 
ATOM   1070 C  CG   . LEU   A 1 65  ? -20.968 -3.612  -6.685  1.000 25.658 0 177 LEU   A CG   1 ? 
ATOM   1071 C  CD1  . LEU   A 1 65  ? -22.308 -4.313  -6.429  1.000 28.733 0 177 LEU   A CD1  1 ? 
ATOM   1072 C  CD2  . LEU   A 1 65  ? -19.825 -4.612  -6.552  1.000 28.549 0 177 LEU   A CD2  1 ? 
ATOM   1073 H  H    . LEU   A 1 65  ? -20.193 -0.373  -7.142  1.000 21.866 0 177 LEU   A H    1 c 
ATOM   1074 H  HA   . LEU   A 1 65  ? -18.835 -2.579  -8.229  1.000 23.639 0 177 LEU   A HA   1 c 
ATOM   1075 H  HB2  . LEU   A 1 65  ? -21.685 -2.344  -8.147  1.000 24.168 0 177 LEU   A HB2  1 c 
ATOM   1076 H  HB3  . LEU   A 1 65  ? -20.895 -3.586  -8.748  1.000 24.300 0 177 LEU   A HB3  1 c 
ATOM   1077 H  HG   . LEU   A 1 65  ? -20.852 -2.928  -5.977  1.000 25.775 0 177 LEU   A HG   1 c 
ATOM   1078 H  HD11 . LEU   A 1 65  ? -23.026 -3.658  -6.448  1.000 28.168 0 177 LEU   A HD11 1 c 
ATOM   1079 H  HD12 . LEU   A 1 65  ? -22.289 -4.745  -5.559  1.000 28.180 0 177 LEU   A HD12 1 c 
ATOM   1080 H  HD13 . LEU   A 1 65  ? -22.463 -4.981  -7.118  1.000 28.256 0 177 LEU   A HD13 1 c 
ATOM   1081 H  HD21 . LEU   A 1 65  ? -18.975 -4.146  -6.600  1.000 28.059 0 177 LEU   A HD21 1 c 
ATOM   1082 H  HD22 . LEU   A 1 65  ? -19.879 -5.264  -7.272  1.000 27.996 0 177 LEU   A HD22 1 c 
ATOM   1083 H  HD23 . LEU   A 1 65  ? -19.893 -5.071  -5.698  1.000 27.929 0 177 LEU   A HD23 1 c 
ATOM   1084 N  N    . ASP   A 1 66  ? -18.875 -1.711  -10.548 1.000 26.117 0 178 ASP   A N    1 ? 
ATOM   1085 C  CA   . ASP   A 1 66  ? -18.899 -1.146  -11.898 1.000 27.718 0 178 ASP   A CA   1 ? 
ATOM   1086 C  C    . ASP   A 1 66  ? -18.787 0.379   -11.780 1.000 25.988 0 178 ASP   A C    1 ? 
ATOM   1087 O  O    . ASP   A 1 66  ? -19.414 1.135   -12.527 1.000 28.197 0 178 ASP   A O    1 ? 
ATOM   1088 C  CB   . ASP   A 1 66  ? -20.127 -1.648  -12.646 1.000 31.248 0 178 ASP   A CB   1 ? 
ATOM   1089 C  CG   . ASP   A 1 66  ? -20.087 -3.130  -13.013 1.000 33.686 0 178 ASP   A CG   1 ? 
ATOM   1090 O  OD1  . ASP   A 1 66  ? -18.995 -3.737  -12.928 1.000 40.460 0 178 ASP   A OD1  1 ? 
ATOM   1091 O  OD2  . ASP   A 1 66  ? -21.149 -3.687  -13.354 1.000 43.738 0 178 ASP   A OD2  1 ? 
ATOM   1092 H  H    . ASP   A 1 66  ? -18.252 -2.349  -10.349 1.000 25.637 0 178 ASP   A H    1 c 
ATOM   1093 H  HA   . ASP   A 1 66  ? -18.107 -1.475  -12.379 1.000 27.894 0 178 ASP   A HA   1 c 
ATOM   1094 H  HB2  . ASP   A 1 66  ? -20.928 -1.487  -12.106 1.000 31.153 0 178 ASP   A HB2  1 c 
ATOM   1095 H  HB3  . ASP   A 1 66  ? -20.220 -1.135  -13.476 1.000 30.997 0 178 ASP   A HB3  1 c 
ATOM   1096 N  N    . ASN   A 1 67  ? -18.004 0.800   -10.787 1.000 26.396 0 179 ASN   A N    1 ? 
ATOM   1097 C  CA   . ASN   A 1 67  ? -17.656 2.196   -10.581 1.000 25.528 0 179 ASN   A CA   1 ? 
ATOM   1098 C  C    . ASN   A 1 67  ? -18.843 3.013   -10.040 1.000 25.630 0 179 ASN   A C    1 ? 
ATOM   1099 O  O    . ASN   A 1 67  ? -18.776 4.236   -10.066 1.000 29.659 0 179 ASN   A O    1 ? 
ATOM   1100 C  CB   . ASN   A 1 67  ? -17.056 2.815   -11.846 1.000 26.409 0 179 ASN   A CB   1 ? 
ATOM   1101 C  CG   . ASN   A 1 67  ? -15.765 3.538   -11.560 1.000 27.695 0 179 ASN   A CG   1 ? 
ATOM   1102 O  OD1  . ASN   A 1 67  ? -14.923 3.069   -10.786 1.000 30.704 0 179 ASN   A OD1  1 ? 
ATOM   1103 N  ND2  . ASN   A 1 67  ? -15.594 4.703   -12.148 1.000 31.669 0 179 ASN   A ND2  1 ? 
ATOM   1104 H  H    . ASN   A 1 67  ? -17.648 0.181   -10.217 1.000 26.214 0 179 ASN   A H    1 c 
ATOM   1105 H  HA   . ASN   A 1 67  ? -16.957 2.218   -9.896  1.000 25.854 0 179 ASN   A HA   1 c 
ATOM   1106 H  HB2  . ASN   A 1 67  ? -16.887 2.110   -12.501 1.000 26.270 0 179 ASN   A HB2  1 c 
ATOM   1107 H  HB3  . ASN   A 1 67  ? -17.698 3.441   -12.235 1.000 26.323 0 179 ASN   A HB3  1 c 
ATOM   1108 H  HD21 . ASN   A 1 67  ? -16.219 5.031   -12.685 1.000 30.602 0 179 ASN   A HD21 1 c 
ATOM   1109 H  HD22 . ASN   A 1 67  ? -14.848 5.162   -12.008 1.000 30.712 0 179 ASN   A HD22 1 c 
ATOM   1110 N  N    . ASN   A 1 68  ? -19.909 2.372   -9.539  1.000 25.677 0 180 ASN   A N    1 ? 
ATOM   1111 C  CA   . ASN   A 1 68  ? -21.035 3.062   -8.910  1.000 27.450 0 180 ASN   A CA   1 ? 
ATOM   1112 C  C    . ASN   A 1 68  ? -21.140 2.699   -7.425  1.000 26.537 0 180 ASN   A C    1 ? 
ATOM   1113 O  O    . ASN   A 1 68  ? -21.167 1.503   -7.054  1.000 25.368 0 180 ASN   A O    1 ? 
ATOM   1114 C  CB   . ASN   A 1 68  ? -22.387 2.681   -9.511  1.000 30.906 0 180 ASN   A CB   1 ? 
ATOM   1115 C  CG   . ASN   A 1 68  ? -22.457 2.878   -11.002 1.000 35.145 0 180 ASN   A CG   1 ? 
ATOM   1116 O  OD1  . ASN   A 1 68  ? -22.740 1.931   -11.743 1.000 44.839 0 180 ASN   A OD1  1 ? 
ATOM   1117 N  ND2  . ASN   A 1 68  ? -22.200 4.083   -11.465 1.000 38.508 0 180 ASN   A ND2  1 ? 
ATOM   1118 H  H    . ASN   A 1 68  ? -19.934 1.460   -9.583  1.000 26.433 0 180 ASN   A H    1 c 
ATOM   1119 H  HA   . ASN   A 1 68  ? -20.915 4.034   -9.004  1.000 27.085 0 180 ASN   A HA   1 c 
ATOM   1120 H  HB2  . ASN   A 1 68  ? -22.571 1.742   -9.310  1.000 31.104 0 180 ASN   A HB2  1 c 
ATOM   1121 H  HB3  . ASN   A 1 68  ? -23.086 3.220   -9.089  1.000 30.943 0 180 ASN   A HB3  1 c 
ATOM   1122 H  HD21 . ASN   A 1 68  ? -22.107 4.765   -10.905 1.000 37.598 0 180 ASN   A HD21 1 c 
ATOM   1123 H  HD22 . ASN   A 1 68  ? -22.121 4.213   -12.339 1.000 37.594 0 180 ASN   A HD22 1 c 
ATOM   1124 N  N    . TRP   A 1 69  ? -21.267 3.718   -6.579  1.000 21.901 0 181 TRP   A N    1 ? 
ATOM   1125 C  CA   . TRP   A 1 69  ? -21.500 3.526   -5.152  1.000 22.354 0 181 TRP   A CA   1 ? 
ATOM   1126 C  C    . TRP   A 1 69  ? -22.931 3.050   -4.898  1.000 24.634 0 181 TRP   A C    1 ? 
ATOM   1127 O  O    . TRP   A 1 69  ? -23.882 3.539   -5.494  1.000 27.552 0 181 TRP   A O    1 ? 
ATOM   1128 C  CB   . TRP   A 1 69  ? -21.169 4.798   -4.344  1.000 22.572 0 181 TRP   A CB   1 ? 
ATOM   1129 C  CG   . TRP   A 1 69  ? -19.693 5.086   -4.276  1.000 22.782 0 181 TRP   A CG   1 ? 
ATOM   1130 C  CD1  . TRP   A 1 69  ? -18.994 6.023   -4.977  1.000 24.782 0 181 TRP   A CD1  1 ? 
ATOM   1131 C  CD2  . TRP   A 1 69  ? -18.712 4.374   -3.498  1.000 21.244 0 181 TRP   A CD2  1 ? 
ATOM   1132 N  NE1  . TRP   A 1 69  ? -17.673 5.992   -4.657  1.000 23.540 0 181 TRP   A NE1  1 ? 
ATOM   1133 C  CE2  . TRP   A 1 69  ? -17.455 4.979   -3.764  1.000 23.274 0 181 TRP   A CE2  1 ? 
ATOM   1134 C  CE3  . TRP   A 1 69  ? -18.769 3.293   -2.612  1.000 22.319 0 181 TRP   A CE3  1 ? 
ATOM   1135 C  CZ2  . TRP   A 1 69  ? -16.273 4.546   -3.174  1.000 22.737 0 181 TRP   A CZ2  1 ? 
ATOM   1136 C  CZ3  . TRP   A 1 69  ? -17.604 2.885   -2.020  1.000 22.710 0 181 TRP   A CZ3  1 ? 
ATOM   1137 C  CH2  . TRP   A 1 69  ? -16.382 3.488   -2.308  1.000 22.524 0 181 TRP   A CH2  1 ? 
ATOM   1138 H  H    . TRP   A 1 69  ? -21.206 4.571   -6.900  1.000 22.120 0 181 TRP   A H    1 c 
ATOM   1139 H  HA   . TRP   A 1 69  ? -20.881 2.812   -4.841  1.000 22.531 0 181 TRP   A HA   1 c 
ATOM   1140 H  HB2  . TRP   A 1 69  ? -21.625 5.561   -4.758  1.000 22.749 0 181 TRP   A HB2  1 c 
ATOM   1141 H  HB3  . TRP   A 1 69  ? -21.515 4.689   -3.432  1.000 22.560 0 181 TRP   A HB3  1 c 
ATOM   1142 H  HD1  . TRP   A 1 69  ? -19.380 6.651   -5.567  1.000 24.323 0 181 TRP   A HD1  1 c 
ATOM   1143 H  HE1  . TRP   A 1 69  ? -17.059 6.516   -4.991  1.000 23.419 0 181 TRP   A HE1  1 c 
ATOM   1144 H  HE3  . TRP   A 1 69  ? -19.590 2.877   -2.409  1.000 22.219 0 181 TRP   A HE3  1 c 
ATOM   1145 H  HZ2  . TRP   A 1 69  ? -15.445 4.955   -3.359  1.000 22.601 0 181 TRP   A HZ2  1 c 
ATOM   1146 H  HZ3  . TRP   A 1 69  ? -17.623 2.155   -1.424  1.000 22.789 0 181 TRP   A HZ3  1 c 
ATOM   1147 H  HH2  . TRP   A 1 69  ? -15.605 3.167   -1.885  1.000 22.364 0 181 TRP   A HH2  1 c 
ATOM   1148 N  N    . GLY   A 1 70  ? -23.066 2.059   -4.010  1.000 25.448 0 182 GLY   A N    1 ? 
ATOM   1149 C  CA   . GLY   A 1 70  ? -24.365 1.516   -3.655  1.000 24.720 0 182 GLY   A CA   1 ? 
ATOM   1150 C  C    . GLY   A 1 70  ? -24.984 2.247   -2.465  1.000 24.106 0 182 GLY   A C    1 ? 
ATOM   1151 O  O    . GLY   A 1 70  ? -24.741 3.439   -2.230  1.000 25.173 0 182 GLY   A O    1 ? 
ATOM   1152 H  H    . GLY   A 1 70  ? -22.321 1.708   -3.613  1.000 25.251 0 182 GLY   A H    1 c 
ATOM   1153 H  HA2  . GLY   A 1 70  ? -24.969 1.582   -4.432  1.000 24.801 0 182 GLY   A HA2  1 c 
ATOM   1154 H  HA3  . GLY   A 1 70  ? -24.262 0.560   -3.435  1.000 24.586 0 182 GLY   A HA3  1 c 
ATOM   1155 N  N    . ARG   A 1 71  ? -25.800 1.512   -1.706  1.000 24.320 0 183 ARG   A N    1 ? 
ATOM   1156 C  CA   . ARG   A 1 71  ? -26.477 2.017   -0.527  1.000 24.895 0 183 ARG   A CA   1 ? 
ATOM   1157 C  C    . ARG   A 1 71  ? -25.531 2.143   0.669   1.000 23.793 0 183 ARG   A C    1 ? 
ATOM   1158 O  O    . ARG   A 1 71  ? -24.888 1.165   1.077   1.000 24.357 0 183 ARG   A O    1 ? 
ATOM   1159 C  CB   . ARG   A 1 71  ? -27.619 1.061   -0.177  1.000 28.346 0 183 ARG   A CB   1 ? 
ATOM   1160 C  CG   . ARG   A 1 71  ? -28.282 1.488   1.123   1.000 34.658 0 183 ARG   A CG   1 ? 
ATOM   1161 C  CD   . ARG   A 1 71  ? -29.697 0.973   1.174   1.000 37.774 0 183 ARG   A CD   1 ? 
ATOM   1162 N  NE   . ARG   A 1 71  ? -30.605 1.642   0.232   1.000 35.460 0 183 ARG   A NE   1 ? 
ATOM   1163 C  CZ   . ARG   A 1 71  ? -31.228 2.797   0.480   1.000 32.298 0 183 ARG   A CZ   1 ? 
ATOM   1164 N  NH1  . ARG   A 1 71  ? -30.904 3.517   1.533   1.000 31.963 0 183 ARG   A NH1  1 ? 
ATOM   1165 N  NH2  . ARG   A 1 71  ? -32.184 3.211   -0.320  1.000 31.124 0 183 ARG   A NH2  1 ? 
ATOM   1166 H  H    . ARG   A 1 71  ? -25.941 0.641   -1.944  1.000 24.158 0 183 ARG   A H    1 c 
ATOM   1167 H  HA   . ARG   A 1 71  ? -26.852 2.910   -0.738  1.000 25.017 0 183 ARG   A HA   1 c 
ATOM   1168 H  HB2  . ARG   A 1 71  ? -28.281 1.063   -0.901  1.000 28.270 0 183 ARG   A HB2  1 c 
ATOM   1169 H  HB3  . ARG   A 1 71  ? -27.269 0.150   -0.082  1.000 28.402 0 183 ARG   A HB3  1 c 
ATOM   1170 H  HG2  . ARG   A 1 71  ? -27.778 1.128   1.885   1.000 33.705 0 183 ARG   A HG2  1 c 
ATOM   1171 H  HG3  . ARG   A 1 71  ? -28.289 2.468   1.184   1.000 33.717 0 183 ARG   A HG3  1 c 
ATOM   1172 H  HD2  . ARG   A 1 71  ? -29.684 0.016   0.973   1.000 36.959 0 183 ARG   A HD2  1 c 
ATOM   1173 H  HD3  . ARG   A 1 71  ? -30.044 1.079   2.083   1.000 37.030 0 183 ARG   A HD3  1 c 
ATOM   1174 H  HE   . ARG   A 1 71  ? -30.748 1.258   -0.536  1.000 35.088 0 183 ARG   A HE   1 c 
ATOM   1175 H  HH11 . ARG   A 1 71  ? -31.323 4.281   1.684   1.000 32.106 0 183 ARG   A HH11 1 c 
ATOM   1176 H  HH12 . ARG   A 1 71  ? -30.275 3.249   2.090   1.000 32.066 0 183 ARG   A HH12 1 c 
ATOM   1177 H  HH21 . ARG   A 1 71  ? -32.586 3.983   -0.165  1.000 31.454 0 183 ARG   A HH21 1 c 
ATOM   1178 H  HH22 . ARG   A 1 71  ? -32.423 2.718   -1.014  1.000 31.645 0 183 ARG   A HH22 1 c 
ATOM   1179 N  N    . GLU   A 1 72  ? -25.421 3.363   1.232   1.000 23.040 0 184 GLU   A N    1 ? 
ATOM   1180 C  CA   . GLU   A 1 72  ? -24.599 3.598   2.411   1.000 20.599 0 184 GLU   A CA   1 ? 
ATOM   1181 C  C    . GLU   A 1 72  ? -25.236 3.018   3.681   1.000 22.364 0 184 GLU   A C    1 ? 
ATOM   1182 O  O    . GLU   A 1 72  ? -26.452 3.065   3.874   1.000 23.461 0 184 GLU   A O    1 ? 
ATOM   1183 C  CB   . GLU   A 1 72  ? -24.386 5.105   2.605   1.000 20.420 0 184 GLU   A CB   1 ? 
ATOM   1184 C  CG   . GLU   A 1 72  ? -23.437 5.746   1.601   1.000 23.946 0 184 GLU   A CG   1 ? 
ATOM   1185 C  CD   . GLU   A 1 72  ? -23.275 7.248   1.675   1.000 26.069 0 184 GLU   A CD   1 ? 
ATOM   1186 O  OE1  . GLU   A 1 72  ? -24.136 7.890   2.319   1.000 28.222 0 184 GLU   A OE1  1 ? 
ATOM   1187 O  OE2  . GLU   A 1 72  ? -22.287 7.740   1.084   1.000 25.121 0 184 GLU   A OE2  1 ? 
ATOM   1188 H  H    . GLU   A 1 72  ? -25.872 4.067   0.863   1.000 22.567 0 184 GLU   A H    1 c 
ATOM   1189 H  HA   . GLU   A 1 72  ? -23.720 3.166   2.268   1.000 21.139 0 184 GLU   A HA   1 c 
ATOM   1190 H  HB2  . GLU   A 1 72  ? -25.255 5.554   2.549   1.000 20.971 0 184 GLU   A HB2  1 c 
ATOM   1191 H  HB3  . GLU   A 1 72  ? -24.029 5.258   3.505   1.000 20.971 0 184 GLU   A HB3  1 c 
ATOM   1192 H  HG2  . GLU   A 1 72  ? -22.549 5.342   1.710   1.000 23.455 0 184 GLU   A HG2  1 c 
ATOM   1193 H  HG3  . GLU   A 1 72  ? -23.743 5.521   0.696   1.000 23.398 0 184 GLU   A HG3  1 c 
ATOM   1194 N  N    . GLU   A 1 73  ? -24.383 2.445   4.535   1.000 21.095 0 185 GLU   A N    1 ? 
ATOM   1195 C  CA   . GLU   A 1 73  ? -24.723 2.078   5.906   1.000 23.677 0 185 GLU   A CA   1 ? 
ATOM   1196 C  C    . GLU   A 1 73  ? -23.933 3.009   6.816   1.000 24.799 0 185 GLU   A C    1 ? 
ATOM   1197 O  O    . GLU   A 1 73  ? -22.721 3.087   6.688   1.000 26.550 0 185 GLU   A O    1 ? 
ATOM   1198 C  CB   . GLU   A 1 73  ? -24.369 0.615   6.189   1.000 25.239 0 185 GLU   A CB   1 ? 
ATOM   1199 C  CG   . GLU   A 1 73  ? -25.178 -0.365  5.345   1.000 26.291 0 185 GLU   A CG   1 ? 
ATOM   1200 C  CD   . GLU   A 1 73  ? -24.794 -1.822  5.563   1.000 27.829 0 185 GLU   A CD   1 ? 
ATOM   1201 O  OE1  . GLU   A 1 73  ? -24.510 -2.239  6.714   1.000 28.430 0 185 GLU   A OE1  1 ? 
ATOM   1202 O  OE2  . GLU   A 1 73  ? -24.869 -2.562  4.566   1.000 27.345 0 185 GLU   A OE2  1 ? 
ATOM   1203 H  H    . GLU   A 1 73  ? -23.536 2.268   4.242   1.000 21.624 0 185 GLU   A H    1 c 
ATOM   1204 H  HA   . GLU   A 1 73  ? -25.693 2.220   6.048   1.000 23.615 0 185 GLU   A HA   1 c 
ATOM   1205 H  HB2  . GLU   A 1 73  ? -23.415 0.479   6.011   1.000 25.169 0 185 GLU   A HB2  1 c 
ATOM   1206 H  HB3  . GLU   A 1 73  ? -24.527 0.428   7.138   1.000 25.238 0 185 GLU   A HB3  1 c 
ATOM   1207 H  HG2  . GLU   A 1 73  ? -26.130 -0.258  5.555   1.000 26.291 0 185 GLU   A HG2  1 c 
ATOM   1208 H  HG3  . GLU   A 1 73  ? -25.056 -0.147  4.396   1.000 26.294 0 185 GLU   A HG3  1 c 
ATOM   1209 N  N    . ARG   A 1 74  ? -24.639 3.718   7.696   1.000 25.204 0 186 ARG   A N    1 ? 
ATOM   1210 C  CA   . ARG   A 1 74  ? -24.049 4.779   8.502   1.000 25.804 0 186 ARG   A CA   1 ? 
ATOM   1211 C  C    . ARG   A 1 74  ? -24.152 4.401   9.978   1.000 27.750 0 186 ARG   A C    1 ? 
ATOM   1212 O  O    . ARG   A 1 74  ? -25.100 3.728   10.386  1.000 30.614 0 186 ARG   A O    1 ? 
ATOM   1213 C  CB   . ARG   A 1 74  ? -24.726 6.108   8.158   1.000 28.440 0 186 ARG   A CB   1 ? 
ATOM   1214 C  CG   . ARG   A 1 74  ? -24.325 6.677   6.806   1.000 28.563 0 186 ARG   A CG   1 ? 
ATOM   1215 C  CD   . ARG   A 1 74  ? -25.366 7.562   6.167   1.000 27.916 0 186 ARG   A CD   1 ? 
ATOM   1216 N  NE   . ARG   A 1 74  ? -24.728 8.325   5.088   1.000 28.882 0 186 ARG   A NE   1 ? 
ATOM   1217 C  CZ   . ARG   A 1 74  ? -24.056 9.493   5.236   1.000 28.516 0 186 ARG   A CZ   1 ? 
ATOM   1218 N  NH1  . ARG   A 1 74  ? -23.983 10.085  6.417   1.000 29.807 0 186 ARG   A NH1  1 ? 
ATOM   1219 N  NH2  . ARG   A 1 74  ? -23.438 10.056  4.206   1.000 27.492 0 186 ARG   A NH2  1 ? 
ATOM   1220 H  H    . ARG   A 1 74  ? -25.527 3.532   7.804   1.000 25.243 0 186 ARG   A H    1 c 
ATOM   1221 H  HA   . ARG   A 1 74  ? -23.093 4.854   8.263   1.000 26.213 0 186 ARG   A HA   1 c 
ATOM   1222 H  HB2  . ARG   A 1 74  ? -25.698 5.978   8.170   1.000 28.077 0 186 ARG   A HB2  1 c 
ATOM   1223 H  HB3  . ARG   A 1 74  ? -24.504 6.763   8.853   1.000 28.104 0 186 ARG   A HB3  1 c 
ATOM   1224 H  HG2  . ARG   A 1 74  ? -23.497 7.194   6.912   1.000 28.361 0 186 ARG   A HG2  1 c 
ATOM   1225 H  HG3  . ARG   A 1 74  ? -24.130 5.934   6.194   1.000 28.394 0 186 ARG   A HG3  1 c 
ATOM   1226 H  HD2  . ARG   A 1 74  ? -26.091 7.015   5.801   1.000 28.162 0 186 ARG   A HD2  1 c 
ATOM   1227 H  HD3  . ARG   A 1 74  ? -25.746 8.173   6.830   1.000 28.250 0 186 ARG   A HD3  1 c 
ATOM   1228 H  HE   . ARG   A 1 74  ? -24.784 8.001   4.281   1.000 28.581 0 186 ARG   A HE   1 c 
ATOM   1229 H  HH11 . ARG   A 1 74  ? -23.682 10.911  6.475   1.000 29.525 0 186 ARG   A HH11 1 c 
ATOM   1230 H  HH12 . ARG   A 1 74  ? -24.231 9.658   7.148   1.000 29.421 0 186 ARG   A HH12 1 c 
ATOM   1231 H  HH21 . ARG   A 1 74  ? -23.026 10.830  4.304   1.000 27.662 0 186 ARG   A HH21 1 c 
ATOM   1232 H  HH22 . ARG   A 1 74  ? -23.440 9.652   3.420   1.000 27.921 0 186 ARG   A HH22 1 c 
ATOM   1233 N  N    . GLN   A 1 75  ? -23.147 4.819   10.746  1.000 25.407 0 187 GLN   A N    1 ? 
ATOM   1234 C  CA   . GLN   A 1 75  ? -23.081 4.596   12.182  1.000 28.072 0 187 GLN   A CA   1 ? 
ATOM   1235 C  C    . GLN   A 1 75  ? -22.636 5.902   12.820  1.000 29.073 0 187 GLN   A C    1 ? 
ATOM   1236 O  O    . GLN   A 1 75  ? -21.645 6.452   12.363  1.000 29.155 0 187 GLN   A O    1 ? 
ATOM   1237 C  CB   . GLN   A 1 75  ? -22.033 3.500   12.362  1.000 34.569 0 187 GLN   A CB   1 ? 
ATOM   1238 C  CG   . GLN   A 1 75  ? -21.459 3.359   13.763  1.000 41.188 0 187 GLN   A CG   1 ? 
ATOM   1239 C  CD   . GLN   A 1 75  ? -22.435 2.715   14.710  1.000 45.573 0 187 GLN   A CD   1 ? 
ATOM   1240 O  OE1  . GLN   A 1 75  ? -23.385 3.348   15.178  1.000 53.533 0 187 GLN   A OE1  1 ? 
ATOM   1241 N  NE2  . GLN   A 1 75  ? -22.208 1.438   14.986  1.000 53.944 0 187 GLN   A NE2  1 ? 
ATOM   1242 H  H    . GLN   A 1 75  ? -22.458 5.270   10.350  1.000 26.249 0 187 GLN   A H    1 c 
ATOM   1243 H  HA   . GLN   A 1 75  ? -23.972 4.327   12.523  1.000 28.246 0 187 GLN   A HA   1 c 
ATOM   1244 H  HB2  . GLN   A 1 75  ? -22.437 2.645   12.105  1.000 33.903 0 187 GLN   A HB2  1 c 
ATOM   1245 H  HB3  . GLN   A 1 75  ? -21.296 3.672   11.740  1.000 33.731 0 187 GLN   A HB3  1 c 
ATOM   1246 H  HG2  . GLN   A 1 75  ? -20.638 2.824   13.728  1.000 40.623 0 187 GLN   A HG2  1 c 
ATOM   1247 H  HG3  . GLN   A 1 75  ? -21.221 4.245   14.110  1.000 40.325 0 187 GLN   A HG3  1 c 
ATOM   1248 H  HE21 . GLN   A 1 75  ? -21.519 1.014   14.620  1.000 51.709 0 187 GLN   A HE21 1 c 
ATOM   1249 H  HE22 . GLN   A 1 75  ? -22.746 1.005   15.543  1.000 52.020 0 187 GLN   A HE22 1 c 
ATOM   1250 N  N    . SER   A 1 76  ? -23.335 6.361   13.866  1.000 32.390 0 188 SER   A N    1 ? 
ATOM   1251 C  CA   . SER   A 1 76  ? -22.941 7.595   14.543  1.000 36.005 0 188 SER   A CA   1 ? 
ATOM   1252 C  C    . SER   A 1 76  ? -21.937 7.325   15.666  1.000 35.573 0 188 SER   A C    1 ? 
ATOM   1253 O  O    . SER   A 1 76  ? -21.258 8.261   16.111  1.000 34.391 0 188 SER   A O    1 ? 
ATOM   1254 C  CB   . SER   A 1 76  ? -24.140 8.380   15.023  1.000 41.004 0 188 SER   A CB   1 ? 
ATOM   1255 O  OG   . SER   A 1 76  ? -25.189 7.496   15.387  1.000 50.622 0 188 SER   A OG   1 ? 
ATOM   1256 H  H    . SER   A 1 76  ? -24.069 5.905   14.163  1.000 32.063 0 188 SER   A H    1 c 
ATOM   1257 H  HA   . SER   A 1 76  ? -22.479 8.161   13.874  1.000 35.866 0 188 SER   A HA   1 c 
ATOM   1258 H  HB2  . SER   A 1 76  ? -23.888 8.921   15.796  1.000 41.179 0 188 SER   A HB2  1 c 
ATOM   1259 H  HB3  . SER   A 1 76  ? -24.445 8.977   14.314  1.000 41.239 0 188 SER   A HB3  1 c 
ATOM   1260 H  HG   . SER   A 1 76  ? -25.853 7.849   15.687  0.000 45.663 0 188 SER   A HG   1 c 
ATOM   1261 N  N    . VAL   A 1 77  ? -21.832 6.066   16.124  1.000 29.662 0 189 VAL   A N    1 ? 
ATOM   1262 C  CA   . VAL   A 1 77  ? -20.775 5.715   17.070  1.000 28.675 0 189 VAL   A CA   1 ? 
ATOM   1263 C  C    . VAL   A 1 77  ? -19.445 5.972   16.367  1.000 24.513 0 189 VAL   A C    1 ? 
ATOM   1264 O  O    . VAL   A 1 77  ? -19.231 5.483   15.270  1.000 26.975 0 189 VAL   A O    1 ? 
ATOM   1265 C  CB   . VAL   A 1 77  ? -20.889 4.266   17.592  1.000 34.361 0 189 VAL   A CB   1 ? 
ATOM   1266 C  CG1  . VAL   A 1 77  ? -19.723 3.864   18.501  1.000 34.552 0 189 VAL   A CG1  1 ? 
ATOM   1267 C  CG2  . VAL   A 1 77  ? -22.207 4.056   18.325  1.000 36.410 0 189 VAL   A CG2  1 ? 
ATOM   1268 H  H    . VAL   A 1 77  ? -22.419 5.423   15.850  1.000 29.832 0 189 VAL   A H    1 c 
ATOM   1269 H  HA   . VAL   A 1 77  ? -20.842 6.316   17.837  1.000 28.427 0 189 VAL   A HA   1 c 
ATOM   1270 H  HB   . VAL   A 1 77  ? -20.878 3.671   16.807  1.000 33.888 0 189 VAL   A HB   1 c 
ATOM   1271 H  HG11 . VAL   A 1 77  ? -19.685 4.465   19.264  1.000 34.623 0 189 VAL   A HG11 1 c 
ATOM   1272 H  HG12 . VAL   A 1 77  ? -18.888 3.918   18.005  1.000 34.651 0 189 VAL   A HG12 1 c 
ATOM   1273 H  HG13 . VAL   A 1 77  ? -19.853 2.953   18.813  1.000 34.112 0 189 VAL   A HG13 1 c 
ATOM   1274 H  HG21 . VAL   A 1 77  ? -22.252 3.141   18.653  1.000 35.905 0 189 VAL   A HG21 1 c 
ATOM   1275 H  HG22 . VAL   A 1 77  ? -22.948 4.217   17.717  1.000 36.064 0 189 VAL   A HG22 1 c 
ATOM   1276 H  HG23 . VAL   A 1 77  ? -22.264 4.670   19.075  1.000 35.913 0 189 VAL   A HG23 1 c 
ATOM   1277 N  N    . PHE   A 1 78  ? -18.560 6.737   16.998  1.000 24.471 0 190 PHE   A N    1 ? 
ATOM   1278 C  CA   . PHE   A 1 78  ? -17.394 7.291   16.328  1.000 21.957 0 190 PHE   A CA   1 ? 
ATOM   1279 C  C    . PHE   A 1 78  ? -16.211 7.224   17.285  1.000 25.563 0 190 PHE   A C    1 ? 
ATOM   1280 O  O    . PHE   A 1 78  ? -16.047 8.076   18.142  1.000 28.942 0 190 PHE   A O    1 ? 
ATOM   1281 C  CB   . PHE   A 1 78  ? -17.683 8.724   15.879  1.000 22.026 0 190 PHE   A CB   1 ? 
ATOM   1282 C  CG   . PHE   A 1 78  ? -16.676 9.226   14.858  1.000 23.863 0 190 PHE   A CG   1 ? 
ATOM   1283 C  CD1  . PHE   A 1 78  ? -15.474 9.811   15.265  1.000 22.706 0 190 PHE   A CD1  1 ? 
ATOM   1284 C  CD2  . PHE   A 1 78  ? -16.932 9.134   13.493  1.000 21.659 0 190 PHE   A CD2  1 ? 
ATOM   1285 C  CE1  . PHE   A 1 78  ? -14.543 10.229  14.338  1.000 25.149 0 190 PHE   A CE1  1 ? 
ATOM   1286 C  CE2  . PHE   A 1 78  ? -15.989 9.559   12.571  1.000 23.579 0 190 PHE   A CE2  1 ? 
ATOM   1287 C  CZ   . PHE   A 1 78  ? -14.814 10.125  12.993  1.000 23.709 0 190 PHE   A CZ   1 ? 
ATOM   1288 H  H    . PHE   A 1 78  ? -18.683 6.920   17.885  1.000 24.030 0 190 PHE   A H    1 c 
ATOM   1289 H  HA   . PHE   A 1 78  ? -17.193 6.744   15.525  1.000 22.729 0 190 PHE   A HA   1 c 
ATOM   1290 H  HB2  . PHE   A 1 78  ? -18.584 8.755   15.486  1.000 22.236 0 190 PHE   A HB2  1 c 
ATOM   1291 H  HB3  . PHE   A 1 78  ? -17.671 9.314   16.665  1.000 22.291 0 190 PHE   A HB3  1 c 
ATOM   1292 H  HD1  . PHE   A 1 78  ? -15.279 9.877   16.186  1.000 23.303 0 190 PHE   A HD1  1 c 
ATOM   1293 H  HD2  . PHE   A 1 78  ? -17.738 8.743   13.195  1.000 22.303 0 190 PHE   A HD2  1 c 
ATOM   1294 H  HE1  . PHE   A 1 78  ? -13.734 10.621  14.629  1.000 24.473 0 190 PHE   A HE1  1 c 
ATOM   1295 H  HE2  . PHE   A 1 78  ? -16.173 9.492   11.648  1.000 23.262 0 190 PHE   A HE2  1 c 
ATOM   1296 H  HZ   . PHE   A 1 78  ? -14.182 10.428  12.360  1.000 23.990 0 190 PHE   A HZ   1 c 
ATOM   1297 N  N    . PRO   A 1 79  ? -15.399 6.155   17.240  1.000 25.309 0 191 PRO   A N    1 ? 
ATOM   1298 C  CA   . PRO   A 1 79  ? -14.338 5.967   18.223  1.000 26.198 0 191 PRO   A CA   1 ? 
ATOM   1299 C  C    . PRO   A 1 79  ? -12.981 6.622   17.982  1.000 28.023 0 191 PRO   A C    1 ? 
ATOM   1300 O  O    . PRO   A 1 79  ? -12.072 6.382   18.761  1.000 34.928 0 191 PRO   A O    1 ? 
ATOM   1301 C  CB   . PRO   A 1 79  ? -14.237 4.407   18.212  1.000 27.713 0 191 PRO   A CB   1 ? 
ATOM   1302 C  CG   . PRO   A 1 79  ? -14.442 4.088   16.757  1.000 28.899 0 191 PRO   A CG   1 ? 
ATOM   1303 C  CD   . PRO   A 1 79  ? -15.602 4.990   16.369  1.000 27.626 0 191 PRO   A CD   1 ? 
ATOM   1304 H  HA   . PRO   A 1 79  ? -14.680 6.260   19.106  1.000 26.459 0 191 PRO   A HA   1 c 
ATOM   1305 H  HB2  . PRO   A 1 79  ? -13.351 4.104   18.523  1.000 27.532 0 191 PRO   A HB2  1 c 
ATOM   1306 H  HB3  . PRO   A 1 79  ? -14.941 4.000   18.770  1.000 27.688 0 191 PRO   A HB3  1 c 
ATOM   1307 H  HG2  . PRO   A 1 79  ? -13.642 4.299   16.233  1.000 28.532 0 191 PRO   A HG2  1 c 
ATOM   1308 H  HG3  . PRO   A 1 79  ? -14.671 3.144   16.630  1.000 28.177 0 191 PRO   A HG3  1 c 
ATOM   1309 H  HD2  . PRO   A 1 79  ? -15.554 5.238   15.419  1.000 27.248 0 191 PRO   A HD2  1 c 
ATOM   1310 H  HD3  . PRO   A 1 79  ? -16.465 4.555   16.549  1.000 27.356 0 191 PRO   A HD3  1 c 
ATOM   1311 N  N    . PHE   A 1 80  ? -12.845 7.416   16.908  1.000 26.801 0 192 PHE   A N    1 ? 
ATOM   1312 C  CA   . PHE   A 1 80  ? -11.586 8.035   16.527  1.000 23.861 0 192 PHE   A CA   1 ? 
ATOM   1313 C  C    . PHE   A 1 80  ? -11.560 9.444   17.086  1.000 24.062 0 192 PHE   A C    1 ? 
ATOM   1314 O  O    . PHE   A 1 80  ? -12.607 10.032  17.241  1.000 24.750 0 192 PHE   A O    1 ? 
ATOM   1315 C  CB   . PHE   A 1 80  ? -11.425 8.132   15.003  1.000 22.393 0 192 PHE   A CB   1 ? 
ATOM   1316 C  CG   . PHE   A 1 80  ? -11.493 6.751   14.371  1.000 21.956 0 192 PHE   A CG   1 ? 
ATOM   1317 C  CD1  . PHE   A 1 80  ? -10.360 5.954   14.276  1.000 23.592 0 192 PHE   A CD1  1 ? 
ATOM   1318 C  CD2  . PHE   A 1 80  ? -12.688 6.288   13.840  1.000 22.554 0 192 PHE   A CD2  1 ? 
ATOM   1319 C  CE1  . PHE   A 1 80  ? -10.442 4.682   13.721  1.000 23.055 0 192 PHE   A CE1  1 ? 
ATOM   1320 C  CE2  . PHE   A 1 80  ? -12.758 5.032   13.271  1.000 23.231 0 192 PHE   A CE2  1 ? 
ATOM   1321 C  CZ   . PHE   A 1 80  ? -11.629 4.245   13.191  1.000 23.941 0 192 PHE   A CZ   1 ? 
ATOM   1322 H  H    . PHE   A 1 80  ? -13.578 7.574   16.387  1.000 26.263 0 192 PHE   A H    1 c 
ATOM   1323 H  HA   . PHE   A 1 80  ? -10.831 7.511   16.906  1.000 24.182 0 192 PHE   A HA   1 c 
ATOM   1324 H  HB2  . PHE   A 1 80  ? -12.144 8.696   14.639  1.000 22.292 0 192 PHE   A HB2  1 c 
ATOM   1325 H  HB3  . PHE   A 1 80  ? -10.558 8.547   14.797  1.000 22.676 0 192 PHE   A HB3  1 c 
ATOM   1326 H  HD1  . PHE   A 1 80  ? -9.543  6.259   14.638  1.000 23.168 0 192 PHE   A HD1  1 c 
ATOM   1327 H  HD2  . PHE   A 1 80  ? -13.461 6.828   13.886  1.000 22.428 0 192 PHE   A HD2  1 c 
ATOM   1328 H  HE1  . PHE   A 1 80  ? -9.669  4.144   13.659  1.000 23.248 0 192 PHE   A HE1  1 c 
ATOM   1329 H  HE2  . PHE   A 1 80  ? -13.575 4.722   12.915  1.000 23.046 0 192 PHE   A HE2  1 c 
ATOM   1330 H  HZ   . PHE   A 1 80  ? -11.682 3.385   12.803  1.000 24.062 0 192 PHE   A HZ   1 c 
ATOM   1331 N  N    . GLU   A 1 81  ? -10.356 9.920   17.390  1.000 25.078 0 193 GLU   A N    1 ? 
ATOM   1332 C  CA   . GLU   A 1 81  ? -10.152 11.278  17.846  1.000 27.123 0 193 GLU   A CA   1 ? 
ATOM   1333 C  C    . GLU   A 1 81  ? -8.924  11.776  17.110  1.000 27.200 0 193 GLU   A C    1 ? 
ATOM   1334 O  O    . GLU   A 1 81  ? -7.938  11.035  17.001  1.000 26.622 0 193 GLU   A O    1 ? 
ATOM   1335 C  CB   . GLU   A 1 81  ? -9.928  11.339  19.359  1.000 27.548 0 193 GLU   A CB   1 ? 
ATOM   1336 C  CG   . GLU   A 1 81  ? -11.123 10.845  20.170  1.000 27.410 0 193 GLU   A CG   1 ? 
ATOM   1337 C  CD   . GLU   A 1 81  ? -12.344 11.746  20.079  1.000 31.531 0 193 GLU   A CD   1 ? 
ATOM   1338 O  OE1  . GLU   A 1 81  ? -12.186 12.968  19.817  1.000 35.675 0 193 GLU   A OE1  1 ? 
ATOM   1339 O  OE2  . GLU   A 1 81  ? -13.461 11.243  20.277  1.000 37.006 0 193 GLU   A OE2  1 ? 
ATOM   1340 H  H    . GLU   A 1 81  ? -9.630  9.371   17.312  1.000 25.513 0 193 GLU   A H    1 c 
ATOM   1341 H  HA   . GLU   A 1 81  ? -10.938 11.826  17.592  1.000 26.885 0 193 GLU   A HA   1 c 
ATOM   1342 H  HB2  . GLU   A 1 81  ? -9.146  10.794  19.583  1.000 27.520 0 193 GLU   A HB2  1 c 
ATOM   1343 H  HB3  . GLU   A 1 81  ? -9.729  12.265  19.611  1.000 27.599 0 193 GLU   A HB3  1 c 
ATOM   1344 H  HG2  . GLU   A 1 81  ? -11.371 9.948   19.863  1.000 27.768 0 193 GLU   A HG2  1 c 
ATOM   1345 H  HG3  . GLU   A 1 81  ? -10.860 10.772  21.112  1.000 27.971 0 193 GLU   A HG3  1 c 
ATOM   1346 N  N    A SER   A 1 82  ? -8.996  13.022  16.630  0.500 28.118 0 194 SER   A N    1 ? 
ATOM   1347 N  N    B SER   A 1 82  ? -8.991  13.015  16.603  0.500 27.093 0 194 SER   A N    1 ? 
ATOM   1348 C  CA   A SER   A 1 82  ? -7.835  13.690  16.072  0.500 29.590 0 194 SER   A CA   1 ? 
ATOM   1349 C  CA   B SER   A 1 82  ? -7.837  13.653  15.988  0.500 28.141 0 194 SER   A CA   1 ? 
ATOM   1350 C  C    A SER   A 1 82  ? -6.666  13.594  17.045  0.500 26.962 0 194 SER   A C    1 ? 
ATOM   1351 C  C    B SER   A 1 82  ? -6.674  13.700  16.980  0.500 25.824 0 194 SER   A C    1 ? 
ATOM   1352 O  O    A SER   A 1 82  ? -6.832  13.780  18.253  0.500 28.516 0 194 SER   A O    1 ? 
ATOM   1353 O  O    B SER   A 1 82  ? -6.851  14.135  18.127  0.500 24.858 0 194 SER   A O    1 ? 
ATOM   1354 C  CB   A SER   A 1 82  ? -8.146  15.117  15.738  0.500 30.007 0 194 SER   A CB   1 ? 
ATOM   1355 C  CB   B SER   A 1 82  ? -8.174  15.039  15.470  0.500 28.751 0 194 SER   A CB   1 ? 
ATOM   1356 O  OG   A SER   A 1 82  ? -9.060  15.150  14.654  0.500 33.241 0 194 SER   A OG   1 ? 
ATOM   1357 O  OG   B SER   A 1 82  ? -8.669  15.898  16.491  0.500 28.830 0 194 SER   A OG   1 ? 
ATOM   1358 H  H    A SER   A 1 82  ? -9.794  13.466  16.649  0.500 27.982 0 194 SER   A H    1 c 
ATOM   1359 H  H    B SER   A 1 82  ? -9.781  13.473  16.638  0.500 27.136 0 194 SER   A H    1 c 
ATOM   1360 H  HA   A SER   A 1 82  ? -7.584  13.223  15.236  0.500 29.031 0 194 SER   A HA   1 c 
ATOM   1361 H  HA   B SER   A 1 82  ? -7.561  13.099  15.217  0.500 27.745 0 194 SER   A HA   1 c 
ATOM   1362 H  HB2  A SER   A 1 82  ? -8.538  15.558  16.516  0.500 30.184 0 194 SER   A HB2  1 c 
ATOM   1363 H  HB2  B SER   A 1 82  ? -7.373  15.436  15.078  0.500 28.669 0 194 SER   A HB2  1 c 
ATOM   1364 H  HB3  A SER   A 1 82  ? -7.324  15.584  15.494  0.500 30.284 0 194 SER   A HB3  1 c 
ATOM   1365 H  HB3  B SER   A 1 82  ? -8.844  14.961  14.765  0.500 28.712 0 194 SER   A HB3  1 c 
ATOM   1366 H  HG   A SER   A 1 82  ? -9.236  15.992  14.497  0.000 37.683 0 194 SER   A HG   1 c 
ATOM   1367 H  HG   B SER   A 1 82  ? -8.862  16.645  16.169  0.000 29.230 0 194 SER   A HG   1 c 
ATOM   1368 N  N    . GLY   A 1 83  ? -5.491  13.280  16.504  1.000 26.094 0 195 GLY   A N    1 ? 
ATOM   1369 C  CA   . GLY   A 1 83  ? -4.273  13.269  17.295  1.000 25.963 0 195 GLY   A CA   1 ? 
ATOM   1370 C  C    . GLY   A 1 83  ? -3.996  11.953  18.007  1.000 24.503 0 195 GLY   A C    1 ? 
ATOM   1371 O  O    . GLY   A 1 83  ? -2.878  11.814  18.489  1.000 25.736 0 195 GLY   A O    1 ? 
ATOM   1372 H  H    . GLY   A 1 83  ? -5.444  13.024  15.629  1.000 26.625 0 195 GLY   A H    1 c 
ATOM   1373 H  HA2  . GLY   A 1 83  ? -3.513  13.470  16.699  1.000 25.769 0 195 GLY   A HA2  1 c 
ATOM   1374 H  HA3  . GLY   A 1 83  ? -4.319  13.991  17.965  1.000 25.711 0 195 GLY   A HA3  1 c 
ATOM   1375 N  N    . LYS   A 1 84  ? -4.958  11.005  18.049  1.000 22.767 0 196 LYS   A N    1 ? 
ATOM   1376 C  CA   . LYS   A 1 84  ? -4.813  9.837   18.908  1.000 23.324 0 196 LYS   A CA   1 ? 
ATOM   1377 C  C    . LYS   A 1 84  ? -4.475  8.577   18.113  1.000 20.872 0 196 LYS   A C    1 ? 
ATOM   1378 O  O    . LYS   A 1 84  ? -4.870  8.369   16.969  1.000 23.612 0 196 LYS   A O    1 ? 
ATOM   1379 C  CB   . LYS   A 1 84  ? -6.047  9.541   19.765  1.000 24.757 0 196 LYS   A CB   1 ? 
ATOM   1380 C  CG   . LYS   A 1 84  ? -6.422  10.611  20.777  1.000 25.030 0 196 LYS   A CG   1 ? 
ATOM   1381 C  CD   . LYS   A 1 84  ? -7.364  10.107  21.864  1.000 24.767 0 196 LYS   A CD   1 ? 
ATOM   1382 C  CE   . LYS   A 1 84  ? -8.127  11.214  22.499  1.000 25.342 0 196 LYS   A CE   1 ? 
ATOM   1383 N  NZ   . LYS   A 1 84  ? -8.890  10.828  23.688  1.000 24.686 0 196 LYS   A NZ   1 ? 
ATOM   1384 H  H    . LYS   A 1 84  ? -5.706  11.083  17.531  1.000 23.256 0 196 LYS   A H    1 c 
ATOM   1385 H  HA   . LYS   A 1 84  ? -4.069  10.019  19.532  1.000 23.095 0 196 LYS   A HA   1 c 
ATOM   1386 H  HB2  . LYS   A 1 84  ? -6.813  9.405   19.167  1.000 24.497 0 196 LYS   A HB2  1 c 
ATOM   1387 H  HB3  . LYS   A 1 84  ? -5.899  8.700   20.248  1.000 24.632 0 196 LYS   A HB3  1 c 
ATOM   1388 H  HG2  . LYS   A 1 84  ? -5.601  10.947  21.196  1.000 24.960 0 196 LYS   A HG2  1 c 
ATOM   1389 H  HG3  . LYS   A 1 84  ? -6.849  11.357  20.302  1.000 25.029 0 196 LYS   A HG3  1 c 
ATOM   1390 H  HD2  . LYS   A 1 84  ? -7.994  9.465   21.471  1.000 25.004 0 196 LYS   A HD2  1 c 
ATOM   1391 H  HD3  . LYS   A 1 84  ? -6.841  9.640   22.552  1.000 24.711 0 196 LYS   A HD3  1 c 
ATOM   1392 H  HE2  . LYS   A 1 84  ? -7.509  11.925  22.745  1.000 24.986 0 196 LYS   A HE2  1 c 
ATOM   1393 H  HE3  . LYS   A 1 84  ? -8.747  11.581  21.845  1.000 25.192 0 196 LYS   A HE3  1 c 
ATOM   1394 H  HZ1  . LYS   A 1 84  ? -8.331  10.478  24.309  1.000 24.871 0 196 LYS   A HZ1  1 c 
ATOM   1395 H  HZ2  . LYS   A 1 84  ? -9.512  10.209  23.466  1.000 24.908 0 196 LYS   A HZ2  1 c 
ATOM   1396 H  HZ3  . LYS   A 1 84  ? -9.302  11.554  24.036  1.000 24.656 0 196 LYS   A HZ3  1 c 
ATOM   1397 N  N    . PRO   A 1 85  ? -3.694  7.707   18.770  1.000 22.135 0 197 PRO   A N    1 ? 
ATOM   1398 C  CA   . PRO   A 1 85  ? -3.359  6.397   18.216  1.000 22.911 0 197 PRO   A CA   1 ? 
ATOM   1399 C  C    . PRO   A 1 85  ? -4.593  5.511   18.171  1.000 22.171 0 197 PRO   A C    1 ? 
ATOM   1400 O  O    . PRO   A 1 85  ? -5.371  5.500   19.102  1.000 18.898 0 197 PRO   A O    1 ? 
ATOM   1401 C  CB   . PRO   A 1 85  ? -2.273  5.861   19.135  1.000 22.889 0 197 PRO   A CB   1 ? 
ATOM   1402 C  CG   . PRO   A 1 85  ? -2.357  6.658   20.385  1.000 25.185 0 197 PRO   A CG   1 ? 
ATOM   1403 C  CD   . PRO   A 1 85  ? -3.089  7.946   20.085  1.000 22.314 0 197 PRO   A CD   1 ? 
ATOM   1404 H  HA   . PRO   A 1 85  ? -2.993  6.516   17.308  1.000 22.680 0 197 PRO   A HA   1 c 
ATOM   1405 H  HB2  . PRO   A 1 85  ? -2.418  4.904   19.325  1.000 22.870 0 197 PRO   A HB2  1 c 
ATOM   1406 H  HB3  . PRO   A 1 85  ? -1.384  5.963   18.720  1.000 23.328 0 197 PRO   A HB3  1 c 
ATOM   1407 H  HG2  . PRO   A 1 85  ? -2.836  6.155   21.075  1.000 24.314 0 197 PRO   A HG2  1 c 
ATOM   1408 H  HG3  . PRO   A 1 85  ? -1.458  6.857   20.720  1.000 24.192 0 197 PRO   A HG3  1 c 
ATOM   1409 H  HD2  . PRO   A 1 85  ? -3.775  8.122   20.767  1.000 22.671 0 197 PRO   A HD2  1 c 
ATOM   1410 H  HD3  . PRO   A 1 85  ? -2.464  8.704   20.056  1.000 22.509 0 197 PRO   A HD3  1 c 
ATOM   1411 N  N    . PHE   A 1 86  ? -4.745  4.753   17.085  1.000 22.528 0 198 PHE   A N    1 ? 
ATOM   1412 C  CA   . PHE   A 1 86  ? -5.893  3.869   16.948  1.000 20.676 0 198 PHE   A CA   1 ? 
ATOM   1413 C  C    . PHE   A 1 86  ? -5.438  2.483   16.515  1.000 19.147 0 198 PHE   A C    1 ? 
ATOM   1414 O  O    . PHE   A 1 86  ? -4.360  2.336   15.947  1.000 20.389 0 198 PHE   A O    1 ? 
ATOM   1415 C  CB   . PHE   A 1 86  ? -6.929  4.355   15.943  1.000 21.085 0 198 PHE   A CB   1 ? 
ATOM   1416 C  CG   . PHE   A 1 86  ? -6.384  4.467   14.532  1.000 20.885 0 198 PHE   A CG   1 ? 
ATOM   1417 C  CD1  . PHE   A 1 86  ? -6.452  3.388   13.673  1.000 22.036 0 198 PHE   A CD1  1 ? 
ATOM   1418 C  CD2  . PHE   A 1 86  ? -5.835  5.650   14.060  1.000 22.574 0 198 PHE   A CD2  1 ? 
ATOM   1419 C  CE1  . PHE   A 1 86  ? -5.930  3.458   12.399  1.000 23.462 0 198 PHE   A CE1  1 ? 
ATOM   1420 C  CE2  . PHE   A 1 86  ? -5.286  5.713   12.793  1.000 27.110 0 198 PHE   A CE2  1 ? 
ATOM   1421 C  CZ   . PHE   A 1 86  ? -5.338  4.605   11.959  1.000 27.085 0 198 PHE   A CZ   1 ? 
ATOM   1422 H  H    . PHE   A 1 86  ? -4.125  4.784   16.415  1.000 22.032 0 198 PHE   A H    1 c 
ATOM   1423 H  HA   . PHE   A 1 86  ? -6.334  3.789   17.834  1.000 20.624 0 198 PHE   A HA   1 c 
ATOM   1424 H  HB2  . PHE   A 1 86  ? -7.690  3.733   15.947  1.000 21.042 0 198 PHE   A HB2  1 c 
ATOM   1425 H  HB3  . PHE   A 1 86  ? -7.255  5.237   16.231  1.000 20.762 0 198 PHE   A HB3  1 c 
ATOM   1426 H  HD1  . PHE   A 1 86  ? -6.825  2.577   13.979  1.000 22.282 0 198 PHE   A HD1  1 c 
ATOM   1427 H  HD2  . PHE   A 1 86  ? -5.771  6.395   14.636  1.000 22.509 0 198 PHE   A HD2  1 c 
ATOM   1428 H  HE1  . PHE   A 1 86  ? -5.971  2.703   11.834  1.000 23.711 0 198 PHE   A HE1  1 c 
ATOM   1429 H  HE2  . PHE   A 1 86  ? -4.901  6.518   12.486  1.000 25.992 0 198 PHE   A HE2  1 c 
ATOM   1430 H  HZ   . PHE   A 1 86  ? -5.007  4.660   11.077  1.000 26.025 0 198 PHE   A HZ   1 c 
ATOM   1431 N  N    . LYS   A 1 87  ? -6.348  1.532   16.715  1.000 20.004 0 199 LYS   A N    1 ? 
ATOM   1432 C  CA   . LYS   A 1 87  ? -6.228  0.203   16.122  1.000 21.652 0 199 LYS   A CA   1 ? 
ATOM   1433 C  C    . LYS   A 1 87  ? -7.585  -0.129  15.526  1.000 20.002 0 199 LYS   A C    1 ? 
ATOM   1434 O  O    . LYS   A 1 87  ? -8.574  -0.103  16.265  1.000 22.708 0 199 LYS   A O    1 ? 
ATOM   1435 C  CB   . LYS   A 1 87  ? -5.846  -0.832  17.187  1.000 22.380 0 199 LYS   A CB   1 ? 
ATOM   1436 C  CG   . LYS   A 1 87  ? -5.790  -2.284  16.720  1.000 22.791 0 199 LYS   A CG   1 ? 
ATOM   1437 C  CD   . LYS   A 1 87  ? -5.262  -3.223  17.783  1.000 25.959 0 199 LYS   A CD   1 ? 
ATOM   1438 C  CE   . LYS   A 1 87  ? -6.281  -3.481  18.858  1.000 26.912 0 199 LYS   A CE   1 ? 
ATOM   1439 N  NZ   . LYS   A 1 87  ? -5.647  -4.223  19.947  1.000 34.425 0 199 LYS   A NZ   1 ? 
ATOM   1440 H  H    . LYS   A 1 87  ? -7.072  1.713   17.242  1.000 19.931 0 199 LYS   A H    1 c 
ATOM   1441 H  HA   . LYS   A 1 87  ? -5.545  0.227   15.408  1.000 21.358 0 199 LYS   A HA   1 c 
ATOM   1442 H  HB2  . LYS   A 1 87  ? -4.965  -0.594  17.546  1.000 22.331 0 199 LYS   A HB2  1 c 
ATOM   1443 H  HB3  . LYS   A 1 87  ? -6.491  -0.770  17.923  1.000 22.291 0 199 LYS   A HB3  1 c 
ATOM   1444 H  HG2  . LYS   A 1 87  ? -6.694  -2.568  16.462  1.000 23.172 0 199 LYS   A HG2  1 c 
ATOM   1445 H  HG3  . LYS   A 1 87  ? -5.215  -2.339  15.926  1.000 23.102 0 199 LYS   A HG3  1 c 
ATOM   1446 H  HD2  . LYS   A 1 87  ? -5.009  -4.075  17.366  1.000 25.425 0 199 LYS   A HD2  1 c 
ATOM   1447 H  HD3  . LYS   A 1 87  ? -4.458  -2.830  18.189  1.000 25.405 0 199 LYS   A HD3  1 c 
ATOM   1448 H  HE2  . LYS   A 1 87  ? -6.632  -2.641  19.203  1.000 27.208 0 199 LYS   A HE2  1 c 
ATOM   1449 H  HE3  . LYS   A 1 87  ? -7.021  -4.002  18.498  1.000 27.593 0 199 LYS   A HE3  1 c 
ATOM   1450 H  HZ1  . LYS   A 1 87  ? -4.986  -3.724  20.316  1.000 32.476 0 199 LYS   A HZ1  1 c 
ATOM   1451 H  HZ2  . LYS   A 1 87  ? -5.295  -4.995  19.628  1.000 32.958 0 199 LYS   A HZ2  1 c 
ATOM   1452 H  HZ3  . LYS   A 1 87  ? -6.258  -4.420  20.583  1.000 32.417 0 199 LYS   A HZ3  1 c 
ATOM   1453 N  N    . ILE   A 1 88  ? -7.622  -0.346  14.206  1.000 19.540 0 200 ILE   A N    1 ? 
ATOM   1454 C  CA   . ILE   A 1 88  ? -8.792  -0.905  13.519  1.000 19.156 0 200 ILE   A CA   1 ? 
ATOM   1455 C  C    . ILE   A 1 88  ? -8.512  -2.396  13.298  1.000 19.789 0 200 ILE   A C    1 ? 
ATOM   1456 O  O    . ILE   A 1 88  ? -7.491  -2.764  12.736  1.000 20.644 0 200 ILE   A O    1 ? 
ATOM   1457 C  CB   . ILE   A 1 88  ? -9.083  -0.220  12.169  1.000 18.890 0 200 ILE   A CB   1 ? 
ATOM   1458 C  CG1  . ILE   A 1 88  ? -9.272  1.304   12.340  1.000 21.961 0 200 ILE   A CG1  1 ? 
ATOM   1459 C  CG2  . ILE   A 1 88  ? -10.298 -0.901  11.528  1.000 21.131 0 200 ILE   A CG2  1 ? 
ATOM   1460 C  CD1  . ILE   A 1 88  ? -9.205  2.113   11.055  1.000 21.502 0 200 ILE   A CD1  1 ? 
ATOM   1461 H  H    . ILE   A 1 88  ? -6.886  -0.136  13.707  1.000 19.432 0 200 ILE   A H    1 c 
ATOM   1462 H  HA   . ILE   A 1 88  ? -9.574  -0.807  14.096  1.000 19.358 0 200 ILE   A HA   1 c 
ATOM   1463 H  HB   . ILE   A 1 88  ? -8.310  -0.363  11.587  1.000 19.528 0 200 ILE   A HB   1 c 
ATOM   1464 H  HG12 . ILE   A 1 88  ? -10.142 1.462   12.760  1.000 21.307 0 200 ILE   A HG12 1 c 
ATOM   1465 H  HG13 . ILE   A 1 88  ? -8.584  1.636   12.950  1.000 21.415 0 200 ILE   A HG13 1 c 
ATOM   1466 H  HG21 . ILE   A 1 88  ? -10.513 -0.459  10.689  1.000 20.582 0 200 ILE   A HG21 1 c 
ATOM   1467 H  HG22 . ILE   A 1 88  ? -11.060 -0.840  12.128  1.000 20.640 0 200 ILE   A HG22 1 c 
ATOM   1468 H  HG23 . ILE   A 1 88  ? -10.098 -1.836  11.355  1.000 20.770 0 200 ILE   A HG23 1 c 
ATOM   1469 H  HD11 . ILE   A 1 88  ? -8.334  1.987   10.634  1.000 21.553 0 200 ILE   A HD11 1 c 
ATOM   1470 H  HD12 . ILE   A 1 88  ? -9.332  3.059   11.259  1.000 21.521 0 200 ILE   A HD12 1 c 
ATOM   1471 H  HD13 . ILE   A 1 88  ? -9.906  1.817   10.444  1.000 21.542 0 200 ILE   A HD13 1 c 
ATOM   1472 N  N    . GLN   A 1 89  ? -9.428  -3.238  13.756  1.000 20.844 0 201 GLN   A N    1 ? 
ATOM   1473 C  CA   . GLN   A 1 89  ? -9.374  -4.670  13.432  1.000 19.573 0 201 GLN   A CA   1 ? 
ATOM   1474 C  C    . GLN   A 1 89  ? -10.589 -5.053  12.609  1.000 20.690 0 201 GLN   A C    1 ? 
ATOM   1475 O  O    . GLN   A 1 89  ? -11.708 -4.800  13.005  1.000 22.864 0 201 GLN   A O    1 ? 
ATOM   1476 C  CB   . GLN   A 1 89  ? -9.314  -5.526  14.690  1.000 24.475 0 201 GLN   A CB   1 ? 
ATOM   1477 C  CG   . GLN   A 1 89  ? -7.970  -5.341  15.369  1.000 27.548 0 201 GLN   A CG   1 ? 
ATOM   1478 C  CD   . GLN   A 1 89  ? -7.907  -6.016  16.702  1.000 30.953 0 201 GLN   A CD   1 ? 
ATOM   1479 O  OE1  . GLN   A 1 89  ? -8.768  -5.800  17.564  1.000 33.478 0 201 GLN   A OE1  1 ? 
ATOM   1480 N  NE2  . GLN   A 1 89  ? -6.878  -6.830  16.849  1.000 34.397 0 201 GLN   A NE2  1 ? 
ATOM   1481 H  H    . GLN   A 1 89  ? -10.104 -2.929  14.287  1.000 20.521 0 201 GLN   A H    1 c 
ATOM   1482 H  HA   . GLN   A 1 89  ? -8.559  -4.841  12.901  1.000 20.501 0 201 GLN   A HA   1 c 
ATOM   1483 H  HB2  . GLN   A 1 89  ? -10.034 -5.261  15.300  1.000 23.928 0 201 GLN   A HB2  1 c 
ATOM   1484 H  HB3  . GLN   A 1 89  ? -9.442  -6.467  14.454  1.000 24.233 0 201 GLN   A HB3  1 c 
ATOM   1485 H  HG2  . GLN   A 1 89  ? -7.264  -5.699  14.789  1.000 27.235 0 201 GLN   A HG2  1 c 
ATOM   1486 H  HG3  . GLN   A 1 89  ? -7.797  -4.384  15.491  1.000 27.364 0 201 GLN   A HG3  1 c 
ATOM   1487 H  HE21 . GLN   A 1 89  ? -6.289  -6.936  16.194  1.000 33.601 0 201 GLN   A HE21 1 c 
ATOM   1488 H  HE22 . GLN   A 1 89  ? -6.776  -7.274  17.609  1.000 33.415 0 201 GLN   A HE22 1 c 
ATOM   1489 N  N    . VAL   A 1 90  ? -10.344 -5.683  11.464  1.000 20.627 0 202 VAL   A N    1 ? 
ATOM   1490 C  CA   . VAL   A 1 90  ? -11.393 -6.194  10.598  1.000 18.784 0 202 VAL   A CA   1 ? 
ATOM   1491 C  C    . VAL   A 1 90  ? -11.328 -7.711  10.635  1.000 17.468 0 202 VAL   A C    1 ? 
ATOM   1492 O  O    . VAL   A 1 90  ? -10.339 -8.264  10.191  1.000 21.999 0 202 VAL   A O    1 ? 
ATOM   1493 C  CB   . VAL   A 1 90  ? -11.304 -5.702  9.151   1.000 21.184 0 202 VAL   A CB   1 ? 
ATOM   1494 C  CG1  . VAL   A 1 90  ? -12.517 -6.204  8.372   1.000 21.890 0 202 VAL   A CG1  1 ? 
ATOM   1495 C  CG2  . VAL   A 1 90  ? -11.220 -4.175  9.159   1.000 21.132 0 202 VAL   A CG2  1 ? 
ATOM   1496 H  H    . VAL   A 1 90  ? -9.475  -5.802  11.207  1.000 20.266 0 202 VAL   A H    1 c 
ATOM   1497 H  HA   . VAL   A 1 90  ? -12.253 -5.911  10.959  1.000 19.182 0 202 VAL   A HA   1 c 
ATOM   1498 H  HB   . VAL   A 1 90  ? -10.480 -6.072  8.755   1.000 20.988 0 202 VAL   A HB   1 c 
ATOM   1499 H  HG11 . VAL   A 1 90  ? -13.331 -5.889  8.800   1.000 21.733 0 202 VAL   A HG11 1 c 
ATOM   1500 H  HG12 . VAL   A 1 90  ? -12.517 -7.176  8.354   1.000 21.809 0 202 VAL   A HG12 1 c 
ATOM   1501 H  HG13 . VAL   A 1 90  ? -12.480 -5.867  7.461   1.000 21.775 0 202 VAL   A HG13 1 c 
ATOM   1502 H  HG21 . VAL   A 1 90  ? -11.180 -3.847  8.244   1.000 21.172 0 202 VAL   A HG21 1 c 
ATOM   1503 H  HG22 . VAL   A 1 90  ? -10.422 -3.894  9.637   1.000 21.099 0 202 VAL   A HG22 1 c 
ATOM   1504 H  HG23 . VAL   A 1 90  ? -12.006 -3.809  9.599   1.000 21.154 0 202 VAL   A HG23 1 c 
ATOM   1505 N  N    . LEU   A 1 91  ? -12.359 -8.311  11.232  1.000 21.619 0 203 LEU   A N    1 ? 
ATOM   1506 C  CA   . LEU   A 1 91  ? -12.494 -9.760  11.279  1.000 20.440 0 203 LEU   A CA   1 ? 
ATOM   1507 C  C    . LEU   A 1 91  ? -13.407 -10.206 10.159  1.000 21.244 0 203 LEU   A C    1 ? 
ATOM   1508 O  O    . LEU   A 1 91  ? -14.570 -9.834  10.129  1.000 20.637 0 203 LEU   A O    1 ? 
ATOM   1509 C  CB   . LEU   A 1 91  ? -13.053 -10.192 12.634  1.000 24.909 0 203 LEU   A CB   1 ? 
ATOM   1510 C  CG   . LEU   A 1 91  ? -13.290 -11.696 12.795  1.000 27.720 0 203 LEU   A CG   1 ? 
ATOM   1511 C  CD1  . LEU   A 1 91  ? -11.975 -12.462 12.673  1.000 28.138 0 203 LEU   A CD1  1 ? 
ATOM   1512 C  CD2  . LEU   A 1 91  ? -13.976 -12.002 14.134  1.000 32.362 0 203 LEU   A CD2  1 ? 
ATOM   1513 H  H    . LEU   A 1 91  ? -13.003 -7.799  11.630  1.000 20.438 0 203 LEU   A H    1 c 
ATOM   1514 H  HA   . LEU   A 1 91  ? -11.599 -10.164 11.150  1.000 21.152 0 203 LEU   A HA   1 c 
ATOM   1515 H  HB2  . LEU   A 1 91  ? -12.426 -9.897  13.334  1.000 24.211 0 203 LEU   A HB2  1 c 
ATOM   1516 H  HB3  . LEU   A 1 91  ? -13.907 -9.724  12.779  1.000 24.311 0 203 LEU   A HB3  1 c 
ATOM   1517 H  HG   . LEU   A 1 91  ? -13.893 -11.997 12.068  1.000 27.828 0 203 LEU   A HG   1 c 
ATOM   1518 H  HD11 . LEU   A 1 91  ? -11.596 -12.323 11.789  1.000 27.936 0 203 LEU   A HD11 1 c 
ATOM   1519 H  HD12 . LEU   A 1 91  ? -12.139 -13.411 12.807  1.000 28.108 0 203 LEU   A HD12 1 c 
ATOM   1520 H  HD13 . LEU   A 1 91  ? -11.350 -12.145 13.347  1.000 28.017 0 203 LEU   A HD13 1 c 
ATOM   1521 H  HD21 . LEU   A 1 91  ? -14.812 -11.512 14.191  1.000 31.503 0 203 LEU   A HD21 1 c 
ATOM   1522 H  HD22 . LEU   A 1 91  ? -13.395 -11.732 14.866  1.000 31.333 0 203 LEU   A HD22 1 c 
ATOM   1523 H  HD23 . LEU   A 1 91  ? -14.153 -12.956 14.198  1.000 31.601 0 203 LEU   A HD23 1 c 
ATOM   1524 N  N    . VAL   A 1 92  ? -12.891 -11.098 9.313   1.000 21.150 0 204 VAL   A N    1 ? 
ATOM   1525 C  CA   . VAL   A 1 92  ? -13.676 -11.637 8.211   1.000 20.896 0 204 VAL   A CA   1 ? 
ATOM   1526 C  C    . VAL   A 1 92  ? -14.473 -12.816 8.764   1.000 22.432 0 204 VAL   A C    1 ? 
ATOM   1527 O  O    . VAL   A 1 92  ? -13.895 -13.714 9.373   1.000 24.723 0 204 VAL   A O    1 ? 
ATOM   1528 C  CB   . VAL   A 1 92  ? -12.793 -12.040 7.020   1.000 22.711 0 204 VAL   A CB   1 ? 
ATOM   1529 C  CG1  . VAL   A 1 92  ? -13.620 -12.578 5.846   1.000 22.388 0 204 VAL   A CG1  1 ? 
ATOM   1530 C  CG2  . VAL   A 1 92  ? -11.852 -10.896 6.600   1.000 21.832 0 204 VAL   A CG2  1 ? 
ATOM   1531 H  H    . VAL   A 1 92  ? -12.031 -11.386 9.426   1.000 21.008 0 204 VAL   A H    1 c 
ATOM   1532 H  HA   . VAL   A 1 92  ? -14.300 -10.949 7.910   1.000 21.311 0 204 VAL   A HA   1 c 
ATOM   1533 H  HB   . VAL   A 1 92  ? -12.223 -12.781 7.330   1.000 22.462 0 204 VAL   A HB   1 c 
ATOM   1534 H  HG11 . VAL   A 1 92  ? -14.253 -11.900 5.557   1.000 22.430 0 204 VAL   A HG11 1 c 
ATOM   1535 H  HG12 . VAL   A 1 92  ? -14.103 -13.374 6.124   1.000 22.341 0 204 VAL   A HG12 1 c 
ATOM   1536 H  HG13 . VAL   A 1 92  ? -13.027 -12.802 5.109   1.000 22.551 0 204 VAL   A HG13 1 c 
ATOM   1537 H  HG21 . VAL   A 1 92  ? -11.313 -11.180 5.844   1.000 21.910 0 204 VAL   A HG21 1 c 
ATOM   1538 H  HG22 . VAL   A 1 92  ? -11.269 -10.664 7.342   1.000 22.044 0 204 VAL   A HG22 1 c 
ATOM   1539 H  HG23 . VAL   A 1 92  ? -12.378 -10.118 6.347   1.000 21.907 0 204 VAL   A HG23 1 c 
ATOM   1540 N  N    . GLU   A 1 93  ? -15.792 -12.721 8.677   1.000 20.803 0 205 GLU   A N    1 ? 
ATOM   1541 C  CA   . GLU   A 1 93  ? -16.690 -13.792 9.094   1.000 23.932 0 205 GLU   A CA   1 ? 
ATOM   1542 C  C    . GLU   A 1 93  ? -17.408 -14.318 7.864   1.000 24.424 0 205 GLU   A C    1 ? 
ATOM   1543 O  O    . GLU   A 1 93  ? -17.288 -13.756 6.779   1.000 21.887 0 205 GLU   A O    1 ? 
ATOM   1544 C  CB   . GLU   A 1 93  ? -17.621 -13.290 10.203  1.000 26.021 0 205 GLU   A CB   1 ? 
ATOM   1545 C  CG   . GLU   A 1 93  ? -16.853 -12.892 11.453  1.000 27.296 0 205 GLU   A CG   1 ? 
ATOM   1546 C  CD   . GLU   A 1 93  ? -17.713 -12.496 12.655  1.000 36.677 0 205 GLU   A CD   1 ? 
ATOM   1547 O  OE1  . GLU   A 1 93  ? -18.964 -12.546 12.574  1.000 39.612 0 205 GLU   A OE1  1 ? 
ATOM   1548 O  OE2  . GLU   A 1 93  ? -17.119 -12.150 13.712  1.000 49.156 0 205 GLU   A OE2  1 ? 
ATOM   1549 H  H    . GLU   A 1 93  ? -16.158 -11.952 8.345   1.000 21.252 0 205 GLU   A H    1 c 
ATOM   1550 H  HA   . GLU   A 1 93  ? -16.142 -14.525 9.471   1.000 23.756 0 205 GLU   A HA   1 c 
ATOM   1551 H  HB2  . GLU   A 1 93  ? -18.127 -12.520 9.871   1.000 26.001 0 205 GLU   A HB2  1 c 
ATOM   1552 H  HB3  . GLU   A 1 93  ? -18.260 -13.996 10.429  1.000 25.883 0 205 GLU   A HB3  1 c 
ATOM   1553 H  HG2  . GLU   A 1 93  ? -16.277 -13.640 11.721  1.000 27.920 0 205 GLU   A HG2  1 c 
ATOM   1554 H  HG3  . GLU   A 1 93  ? -16.266 -12.137 11.235  1.000 27.737 0 205 GLU   A HG3  1 c 
ATOM   1555 N  N    . PRO   A 1 94  ? -18.094 -15.476 7.945   1.000 24.672 0 206 PRO   A N    1 ? 
ATOM   1556 C  CA   . PRO   A 1 94  ? -18.703 -16.055 6.755   1.000 23.179 0 206 PRO   A CA   1 ? 
ATOM   1557 C  C    . PRO   A 1 94  ? -19.688 -15.153 6.021   1.000 23.128 0 206 PRO   A C    1 ? 
ATOM   1558 O  O    . PRO   A 1 94  ? -19.723 -15.195 4.773   1.000 25.310 0 206 PRO   A O    1 ? 
ATOM   1559 C  CB   . PRO   A 1 94  ? -19.377 -17.315 7.303   1.000 25.349 0 206 PRO   A CB   1 ? 
ATOM   1560 C  CG   . PRO   A 1 94  ? -18.518 -17.680 8.491   1.000 26.858 0 206 PRO   A CG   1 ? 
ATOM   1561 C  CD   . PRO   A 1 94  ? -18.229 -16.341 9.128   1.000 26.372 0 206 PRO   A CD   1 ? 
ATOM   1562 H  HA   . PRO   A 1 94  ? -17.979 -16.318 6.134   1.000 23.724 0 206 PRO   A HA   1 c 
ATOM   1563 H  HB2  . PRO   A 1 94  ? -20.304 -17.128 7.580   1.000 25.074 0 206 PRO   A HB2  1 c 
ATOM   1564 H  HB3  . PRO   A 1 94  ? -19.377 -18.036 6.631   1.000 25.329 0 206 PRO   A HB3  1 c 
ATOM   1565 H  HG2  . PRO   A 1 94  ? -19.000 -18.269 9.108   1.000 26.658 0 206 PRO   A HG2  1 c 
ATOM   1566 H  HG3  . PRO   A 1 94  ? -17.691 -18.121 8.206   1.000 26.620 0 206 PRO   A HG3  1 c 
ATOM   1567 H  HD2  . PRO   A 1 94  ? -18.972 -16.053 9.703   1.000 26.138 0 206 PRO   A HD2  1 c 
ATOM   1568 H  HD3  . PRO   A 1 94  ? -17.399 -16.371 9.653   1.000 26.142 0 206 PRO   A HD3  1 c 
ATOM   1569 N  N    . ASP   A 1 95  ? -20.433 -14.332 6.789   1.000 21.814 0 207 ASP   A N    1 ? 
ATOM   1570 C  CA   . ASP   A 1 95  ? -21.480 -13.501 6.207   1.000 22.301 0 207 ASP   A CA   1 ? 
ATOM   1571 C  C    . ASP   A 1 95  ? -21.238 -11.989 6.340   1.000 22.132 0 207 ASP   A C    1 ? 
ATOM   1572 O  O    . ASP   A 1 95  ? -21.983 -11.265 5.701   1.000 22.539 0 207 ASP   A O    1 ? 
ATOM   1573 C  CB   . ASP   A 1 95  ? -22.824 -13.845 6.809   1.000 23.508 0 207 ASP   A CB   1 ? 
ATOM   1574 C  CG   . ASP   A 1 95  ? -23.396 -15.175 6.349   1.000 25.890 0 207 ASP   A CG   1 ? 
ATOM   1575 O  OD1  . ASP   A 1 95  ? -22.997 -15.671 5.233   1.000 27.951 0 207 ASP   A OD1  1 ? 
ATOM   1576 O  OD2  . ASP   A 1 95  ? -24.291 -15.669 7.057   1.000 29.627 0 207 ASP   A OD2  1 ? 
ATOM   1577 H  H    . ASP   A 1 95  ? -20.294 -14.302 7.692   1.000 22.233 0 207 ASP   A H    1 c 
ATOM   1578 H  HA   . ASP   A 1 95  ? -21.534 -13.705 5.250   1.000 22.464 0 207 ASP   A HA   1 c 
ATOM   1579 H  HB2  . ASP   A 1 95  ? -22.732 -13.871 7.784   1.000 23.634 0 207 ASP   A HB2  1 c 
ATOM   1580 H  HB3  . ASP   A 1 95  ? -23.472 -13.144 6.587   1.000 23.443 0 207 ASP   A HB3  1 c 
ATOM   1581 N  N    . HIS   A 1 96  ? -20.198 -11.557 7.060   1.000 21.993 0 208 HIS   A N    1 ? 
ATOM   1582 C  CA   . HIS   A 1 96  ? -19.933 -10.134 7.231   1.000 21.129 0 208 HIS   A CA   1 ? 
ATOM   1583 C  C    . HIS   A 1 96  ? -18.469 -9.859  7.538   1.000 20.661 0 208 HIS   A C    1 ? 
ATOM   1584 O  O    . HIS   A 1 96  ? -17.701 -10.730 7.929   1.000 21.878 0 208 HIS   A O    1 ? 
ATOM   1585 C  CB   . HIS   A 1 96  ? -20.882 -9.552  8.286   1.000 22.648 0 208 HIS   A CB   1 ? 
ATOM   1586 C  CG   . HIS   A 1 96  ? -20.814 -10.193 9.612   1.000 25.257 0 208 HIS   A CG   1 ? 
ATOM   1587 N  ND1  . HIS   A 1 96  ? -21.825 -10.973 10.122  1.000 32.172 0 208 HIS   A ND1  1 ? 
ATOM   1588 C  CD2  . HIS   A 1 96  ? -19.864 -10.133 10.553  1.000 31.211 0 208 HIS   A CD2  1 ? 
ATOM   1589 C  CE1  . HIS   A 1 96  ? -21.480 -11.355 11.344  1.000 32.161 0 208 HIS   A CE1  1 ? 
ATOM   1590 N  NE2  . HIS   A 1 96  ? -20.284 -10.870 11.617  1.000 30.507 0 208 HIS   A NE2  1 ? 
ATOM   1591 H  H    . HIS   A 1 96  ? -19.636 -12.160 7.454   1.000 21.818 0 208 HIS   A H    1 c 
ATOM   1592 H  HA   . HIS   A 1 96  ? -20.144 -9.697  6.370   1.000 21.328 0 208 HIS   A HA   1 c 
ATOM   1593 H  HB2  . HIS   A 1 96  ? -20.685 -8.596  8.389   1.000 22.855 0 208 HIS   A HB2  1 c 
ATOM   1594 H  HB3  . HIS   A 1 96  ? -21.800 -9.624  7.951   1.000 22.827 0 208 HIS   A HB3  1 c 
ATOM   1595 H  HD1  . HIS   A 1 96  ? -22.582 -11.138 9.708   0.000 35.849 0 208 HIS   A HD1  1 c 
ATOM   1596 H  HD2  . HIS   A 1 96  ? -19.050 -9.672  10.497  1.000 29.707 0 208 HIS   A HD2  1 c 
ATOM   1597 H  HE1  . HIS   A 1 96  ? -21.990 -11.913 11.907  1.000 31.974 0 208 HIS   A HE1  1 c 
ATOM   1598 H  HE2  . HIS   A 1 96  ? -19.843 -10.979 12.385  0.000 30.501 0 208 HIS   A HE2  1 c 
ATOM   1599 N  N    . PHE   A 1 97  ? -18.070 -8.595  7.318   1.000 20.012 0 209 PHE   A N    1 ? 
ATOM   1600 C  CA   . PHE   A 1 97  ? -16.927 -8.025  7.988   1.000 20.991 0 209 PHE   A CA   1 ? 
ATOM   1601 C  C    . PHE   A 1 97  ? -17.349 -7.491  9.350   1.000 19.173 0 209 PHE   A C    1 ? 
ATOM   1602 O  O    . PHE   A 1 97  ? -18.356 -6.780  9.458   1.000 22.946 0 209 PHE   A O    1 ? 
ATOM   1603 C  CB   . PHE   A 1 97  ? -16.338 -6.876  7.178   1.000 20.910 0 209 PHE   A CB   1 ? 
ATOM   1604 C  CG   . PHE   A 1 97  ? -15.796 -7.272  5.816   1.000 21.401 0 209 PHE   A CG   1 ? 
ATOM   1605 C  CD1  . PHE   A 1 97  ? -14.521 -7.814  5.667   1.000 22.035 0 209 PHE   A CD1  1 ? 
ATOM   1606 C  CD2  . PHE   A 1 97  ? -16.573 -7.104  4.683   1.000 20.825 0 209 PHE   A CD2  1 ? 
ATOM   1607 C  CE1  . PHE   A 1 97  ? -14.041 -8.168  4.409   1.000 23.089 0 209 PHE   A CE1  1 ? 
ATOM   1608 C  CE2  . PHE   A 1 97  ? -16.072 -7.421  3.423   1.000 21.358 0 209 PHE   A CE2  1 ? 
ATOM   1609 C  CZ   . PHE   A 1 97  ? -14.813 -7.981  3.297   1.000 21.321 0 209 PHE   A CZ   1 ? 
ATOM   1610 H  H    . PHE   A 1 97  ? -18.533 -8.080  6.722   1.000 20.112 0 209 PHE   A H    1 c 
ATOM   1611 H  HA   . PHE   A 1 97  ? -16.234 -8.728  8.109   1.000 20.601 0 209 PHE   A HA   1 c 
ATOM   1612 H  HB2  . PHE   A 1 97  ? -17.035 -6.195  7.054   1.000 20.975 0 209 PHE   A HB2  1 c 
ATOM   1613 H  HB3  . PHE   A 1 97  ? -15.612 -6.468  7.700   1.000 21.013 0 209 PHE   A HB3  1 c 
ATOM   1614 H  HD1  . PHE   A 1 97  ? -13.980 -7.947  6.429   1.000 21.890 0 209 PHE   A HD1  1 c 
ATOM   1615 H  HD2  . PHE   A 1 97  ? -17.434 -6.723  4.762   1.000 20.998 0 209 PHE   A HD2  1 c 
ATOM   1616 H  HE1  . PHE   A 1 97  ? -13.175 -8.533  4.323   1.000 22.270 0 209 PHE   A HE1  1 c 
ATOM   1617 H  HE2  . PHE   A 1 97  ? -16.613 -7.304  2.660   1.000 21.268 0 209 PHE   A HE2  1 c 
ATOM   1618 H  HZ   . PHE   A 1 97  ? -14.483 -8.216  2.445   1.000 21.394 0 209 PHE   A HZ   1 c 
ATOM   1619 N  N    . LYS   A 1 98  ? -16.569 -7.834  10.385  1.000 20.358 0 210 LYS   A N    1 ? 
ATOM   1620 C  CA   . LYS   A 1 98  ? -16.763 -7.274  11.715  1.000 19.982 0 210 LYS   A CA   1 ? 
ATOM   1621 C  C    . LYS   A 1 98  ? -15.608 -6.317  11.995  1.000 21.037 0 210 LYS   A C    1 ? 
ATOM   1622 O  O    . LYS   A 1 98  ? -14.454 -6.651  11.813  1.000 22.125 0 210 LYS   A O    1 ? 
ATOM   1623 C  CB   . LYS   A 1 98  ? -16.808 -8.363  12.781  1.000 24.352 0 210 LYS   A CB   1 ? 
ATOM   1624 C  CG   . LYS   A 1 98  ? -17.179 -7.946  14.184  1.000 29.296 0 210 LYS   A CG   1 ? 
ATOM   1625 C  CD   . LYS   A 1 98  ? -16.803 -8.946  15.258  1.000 36.609 0 210 LYS   A CD   1 ? 
ATOM   1626 C  CE   . LYS   A 1 98  ? -15.602 -8.507  16.023  1.000 42.503 0 210 LYS   A CE   1 ? 
ATOM   1627 N  NZ   . LYS   A 1 98  ? -15.955 -7.357  16.856  1.000 42.682 0 210 LYS   A NZ   1 ? 
ATOM   1628 H  H    . LYS   A 1 98  ? -15.894 -8.436  10.257  1.000 20.212 0 210 LYS   A H    1 c 
ATOM   1629 H  HA   . LYS   A 1 98  ? -17.616 -6.770  11.729  1.000 20.639 0 210 LYS   A HA   1 c 
ATOM   1630 H  HB2  . LYS   A 1 98  ? -17.452 -9.044  12.490  1.000 23.911 0 210 LYS   A HB2  1 c 
ATOM   1631 H  HB3  . LYS   A 1 98  ? -15.928 -8.794  12.815  1.000 24.044 0 210 LYS   A HB3  1 c 
ATOM   1632 H  HG2  . LYS   A 1 98  ? -16.741 -7.090  14.376  1.000 28.993 0 210 LYS   A HG2  1 c 
ATOM   1633 H  HG3  . LYS   A 1 98  ? -18.148 -7.799  14.215  1.000 29.018 0 210 LYS   A HG3  1 c 
ATOM   1634 H  HD2  . LYS   A 1 98  ? -17.558 -9.058  15.875  1.000 35.821 0 210 LYS   A HD2  1 c 
ATOM   1635 H  HD3  . LYS   A 1 98  ? -16.618 -9.815  14.839  1.000 35.846 0 210 LYS   A HD3  1 c 
ATOM   1636 H  HE2  . LYS   A 1 98  ? -15.296 -9.234  16.593  1.000 41.802 0 210 LYS   A HE2  1 c 
ATOM   1637 H  HE3  . LYS   A 1 98  ? -14.883 -8.261  15.414  1.000 41.548 0 210 LYS   A HE3  1 c 
ATOM   1638 H  HZ1  . LYS   A 1 98  ? -16.610 -7.587  17.438  1.000 42.597 0 210 LYS   A HZ1  1 c 
ATOM   1639 H  HZ2  . LYS   A 1 98  ? -16.239 -6.671  16.342  1.000 42.121 0 210 LYS   A HZ2  1 c 
ATOM   1640 H  HZ3  . LYS   A 1 98  ? -15.226 -7.082  17.307  1.000 42.506 0 210 LYS   A HZ3  1 c 
ATOM   1641 N  N    . VAL   A 1 99  ? -15.954 -5.094  12.418  1.000 19.899 0 211 VAL   A N    1 ? 
ATOM   1642 C  CA   . VAL   A 1 99  ? -14.964 -4.078  12.736  1.000 19.189 0 211 VAL   A CA   1 ? 
ATOM   1643 C  C    . VAL   A 1 99  ? -15.006 -3.744  14.236  1.000 18.512 0 211 VAL   A C    1 ? 
ATOM   1644 O  O    . VAL   A 1 99  ? -16.075 -3.509  14.807  1.000 19.800 0 211 VAL   A O    1 ? 
ATOM   1645 C  CB   . VAL   A 1 99  ? -15.228 -2.815  11.910  1.000 21.093 0 211 VAL   A CB   1 ? 
ATOM   1646 C  CG1  . VAL   A 1 99  ? -14.136 -1.777  12.139  1.000 21.301 0 211 VAL   A CG1  1 ? 
ATOM   1647 C  CG2  . VAL   A 1 99  ? -15.346 -3.112  10.430  1.000 21.630 0 211 VAL   A CG2  1 ? 
ATOM   1648 H  H    . VAL   A 1 99  ? -16.839 -4.887  12.512  1.000 20.031 0 211 VAL   A H    1 c 
ATOM   1649 H  HA   . VAL   A 1 99  ? -14.080 -4.420  12.512  1.000 19.432 0 211 VAL   A HA   1 c 
ATOM   1650 H  HB   . VAL   A 1 99  ? -16.085 -2.436  12.217  1.000 20.782 0 211 VAL   A HB   1 c 
ATOM   1651 H  HG11 . VAL   A 1 99  ? -13.274 -2.154  11.897  1.000 21.324 0 211 VAL   A HG11 1 c 
ATOM   1652 H  HG12 . VAL   A 1 99  ? -14.124 -1.515  13.075  1.000 21.183 0 211 VAL   A HG12 1 c 
ATOM   1653 H  HG13 . VAL   A 1 99  ? -14.312 -0.995  11.589  1.000 21.347 0 211 VAL   A HG13 1 c 
ATOM   1654 H  HG21 . VAL   A 1 99  ? -15.501 -2.284  9.944   1.000 21.348 0 211 VAL   A HG21 1 c 
ATOM   1655 H  HG22 . VAL   A 1 99  ? -16.090 -3.719  10.277  1.000 21.455 0 211 VAL   A HG22 1 c 
ATOM   1656 H  HG23 . VAL   A 1 99  ? -14.524 -3.522  10.114  1.000 21.606 0 211 VAL   A HG23 1 c 
ATOM   1657 N  N    . ALA   A 1 100 ? -13.820 -3.771  14.846  1.000 19.083 0 212 ALA   A N    1 ? 
ATOM   1658 C  CA   . ALA   A 1 100 ? -13.594 -3.284  16.194  1.000 19.409 0 212 ALA   A CA   1 ? 
ATOM   1659 C  C    . ALA   A 1 100 ? -12.513 -2.209  16.151  1.000 20.456 0 212 ALA   A C    1 ? 
ATOM   1660 O  O    . ALA   A 1 100 ? -11.524 -2.345  15.450  1.000 21.409 0 212 ALA   A O    1 ? 
ATOM   1661 C  CB   . ALA   A 1 100 ? -13.172 -4.400  17.104  1.000 21.981 0 212 ALA   A CB   1 ? 
ATOM   1662 H  H    . ALA   A 1 100 ? -13.107 -4.118  14.391  1.000 19.104 0 212 ALA   A H    1 c 
ATOM   1663 H  HA   . ALA   A 1 100 ? -14.437 -2.877  16.531  1.000 19.847 0 212 ALA   A HA   1 c 
ATOM   1664 H  HB1  . ALA   A 1 100 ? -13.867 -5.078  17.134  1.000 21.379 0 212 ALA   A HB1  1 c 
ATOM   1665 H  HB2  . ALA   A 1 100 ? -12.349 -4.797  16.774  1.000 21.595 0 212 ALA   A HB2  1 c 
ATOM   1666 H  HB3  . ALA   A 1 100 ? -13.024 -4.053  18.000  1.000 21.472 0 212 ALA   A HB3  1 c 
ATOM   1667 N  N    . VAL   A 1 101 ? -12.708 -1.144  16.922  1.000 20.960 0 213 VAL   A N    1 ? 
ATOM   1668 C  CA   . VAL   A 1 101 ? -11.724 -0.066  17.022  1.000 20.355 0 213 VAL   A CA   1 ? 
ATOM   1669 C  C    . VAL   A 1 101 ? -11.289 0.047   18.485  1.000 19.331 0 213 VAL   A C    1 ? 
ATOM   1670 O  O    . VAL   A 1 101 ? -12.141 0.122   19.390  1.000 20.513 0 213 VAL   A O    1 ? 
ATOM   1671 C  CB   . VAL   A 1 101 ? -12.295 1.257   16.472  1.000 19.935 0 213 VAL   A CB   1 ? 
ATOM   1672 C  CG1  . VAL   A 1 101 ? -11.282 2.392   16.611  1.000 21.181 0 213 VAL   A CG1  1 ? 
ATOM   1673 C  CG2  . VAL   A 1 101 ? -12.737 1.104   15.023  1.000 21.010 0 213 VAL   A CG2  1 ? 
ATOM   1674 H  H    . VAL   A 1 101 ? -13.478 -1.080  17.409  1.000 20.611 0 213 VAL   A H    1 c 
ATOM   1675 H  HA   . VAL   A 1 101 ? -10.948 -0.307  16.485  1.000 20.375 0 213 VAL   A HA   1 c 
ATOM   1676 H  HB   . VAL   A 1 101 ? -13.088 1.481   17.014  1.000 20.266 0 213 VAL   A HB   1 c 
ATOM   1677 H  HG11 . VAL   A 1 101 ? -10.464 2.157   16.142  1.000 21.065 0 213 VAL   A HG11 1 c 
ATOM   1678 H  HG12 . VAL   A 1 101 ? -11.083 2.541   17.551  1.000 20.893 0 213 VAL   A HG12 1 c 
ATOM   1679 H  HG13 . VAL   A 1 101 ? -11.650 3.205   16.227  1.000 20.918 0 213 VAL   A HG13 1 c 
ATOM   1680 H  HG21 . VAL   A 1 101 ? -13.092 1.949   14.700  1.000 20.768 0 213 VAL   A HG21 1 c 
ATOM   1681 H  HG22 . VAL   A 1 101 ? -13.426 0.421   14.962  1.000 20.733 0 213 VAL   A HG22 1 c 
ATOM   1682 H  HG23 . VAL   A 1 101 ? -11.976 0.843   14.477  1.000 20.768 0 213 VAL   A HG23 1 c 
ATOM   1683 N  N    . ASN   A 1 102 ? -9.971  0.014   18.713  1.000 22.424 0 214 ASN   A N    1 ? 
ATOM   1684 C  CA   . ASN   A 1 102 ? -9.410  0.127   20.049  1.000 20.369 0 214 ASN   A CA   1 ? 
ATOM   1685 C  C    . ASN   A 1 102 ? -10.065 -0.894  20.971  1.000 23.487 0 214 ASN   A C    1 ? 
ATOM   1686 O  O    . ASN   A 1 102 ? -10.403 -0.567  22.101  1.000 25.060 0 214 ASN   A O    1 ? 
ATOM   1687 C  CB   . ASN   A 1 102 ? -9.564  1.549   20.587  1.000 20.395 0 214 ASN   A CB   1 ? 
ATOM   1688 C  CG   . ASN   A 1 102 ? -8.896  2.555   19.682  1.000 18.954 0 214 ASN   A CG   1 ? 
ATOM   1689 O  OD1  . ASN   A 1 102 ? -8.011  2.221   18.899  1.000 20.589 0 214 ASN   A OD1  1 ? 
ATOM   1690 N  ND2  . ASN   A 1 102 ? -9.369  3.799   19.712  1.000 20.265 0 214 ASN   A ND2  1 ? 
ATOM   1691 H  H    . ASN   A 1 102 ? -9.400  -0.082  18.007  1.000 21.319 0 214 ASN   A H    1 c 
ATOM   1692 H  HA   . ASN   A 1 102 ? -8.448  -0.072  19.997  1.000 20.945 0 214 ASN   A HA   1 c 
ATOM   1693 H  HB2  . ASN   A 1 102 ? -10.515 1.765   20.665  1.000 20.196 0 214 ASN   A HB2  1 c 
ATOM   1694 H  HB3  . ASN   A 1 102 ? -9.165  1.604   21.478  1.000 19.992 0 214 ASN   A HB3  1 c 
ATOM   1695 H  HD21 . ASN   A 1 102 ? -10.050 4.004   20.242  1.000 19.959 0 214 ASN   A HD21 1 c 
ATOM   1696 H  HD22 . ASN   A 1 102 ? -9.002  4.423   19.200  1.000 19.954 0 214 ASN   A HD22 1 c 
ATOM   1697 N  N    . ASP   A 1 103 ? -10.223 -2.119  20.450  1.000 22.128 0 215 ASP   A N    1 ? 
ATOM   1698 C  CA   . ASP   A 1 103 ? -10.725 -3.268  21.192  1.000 24.608 0 215 ASP   A CA   1 ? 
ATOM   1699 C  C    . ASP   A 1 103 ? -12.192 -3.189  21.585  1.000 24.753 0 215 ASP   A C    1 ? 
ATOM   1700 O  O    . ASP   A 1 103 ? -12.626 -4.023  22.364  1.000 30.451 0 215 ASP   A O    1 ? 
ATOM   1701 C  CB   . ASP   A 1 103 ? -9.864  -3.565  22.406  1.000 28.398 0 215 ASP   A CB   1 ? 
ATOM   1702 C  CG   . ASP   A 1 103 ? -8.473  -4.051  22.049  1.000 34.246 0 215 ASP   A CG   1 ? 
ATOM   1703 O  OD1  . ASP   A 1 103 ? -8.383  -4.938  21.184  1.000 37.140 0 215 ASP   A OD1  1 ? 
ATOM   1704 O  OD2  . ASP   A 1 103 ? -7.501  -3.522  22.623  1.000 39.278 0 215 ASP   A OD2  1 ? 
ATOM   1705 H  H    . ASP   A 1 103 ? -9.993  -2.245  19.575  1.000 22.766 0 215 ASP   A H    1 c 
ATOM   1706 H  HA   . ASP   A 1 103 ? -10.630 -4.053  20.606  1.000 24.406 0 215 ASP   A HA   1 c 
ATOM   1707 H  HB2  . ASP   A 1 103 ? -9.783  -2.765  22.964  1.000 28.318 0 215 ASP   A HB2  1 c 
ATOM   1708 H  HB3  . ASP   A 1 103 ? -10.293 -4.261  22.946  1.000 28.273 0 215 ASP   A HB3  1 c 
ATOM   1709 N  N    . ALA   A 1 104 ? -12.970 -2.324  20.941  1.000 25.006 0 216 ALA   A N    1 ? 
ATOM   1710 C  CA   . ALA   A 1 104 ? -14.407 -2.225  21.127  1.000 25.541 0 216 ALA   A CA   1 ? 
ATOM   1711 C  C    . ALA   A 1 104 ? -15.116 -2.510  19.805  1.000 22.919 0 216 ALA   A C    1 ? 
ATOM   1712 O  O    . ALA   A 1 104 ? -14.789 -1.918  18.767  1.000 22.791 0 216 ALA   A O    1 ? 
ATOM   1713 C  CB   . ALA   A 1 104 ? -14.743 -0.834  21.620  1.000 26.590 0 216 ALA   A CB   1 ? 
ATOM   1714 H  H    . ALA   A 1 104 ? -12.579 -1.760  20.340  1.000 25.082 0 216 ALA   A H    1 c 
ATOM   1715 H  HA   . ALA   A 1 104 ? -14.695 -2.900  21.801  1.000 25.229 0 216 ALA   A HA   1 c 
ATOM   1716 H  HB1  . ALA   A 1 104 ? -14.300 -0.671  22.470  1.000 26.374 0 216 ALA   A HB1  1 c 
ATOM   1717 H  HB2  . ALA   A 1 104 ? -14.443 -0.175  20.971  1.000 26.510 0 216 ALA   A HB2  1 c 
ATOM   1718 H  HB3  . ALA   A 1 104 ? -15.705 -0.752  21.739  1.000 26.294 0 216 ALA   A HB3  1 c 
ATOM   1719 N  N    . HIS   A 1 105 ? -16.100 -3.413  19.848  1.000 25.176 0 217 HIS   A N    1 ? 
ATOM   1720 C  CA   . HIS   A 1 105 ? -16.916 -3.726  18.687  1.000 24.757 0 217 HIS   A CA   1 ? 
ATOM   1721 C  C    . HIS   A 1 105 ? -17.557 -2.451  18.135  1.000 24.515 0 217 HIS   A C    1 ? 
ATOM   1722 O  O    . HIS   A 1 105 ? -18.104 -1.649  18.919  1.000 24.097 0 217 HIS   A O    1 ? 
ATOM   1723 C  CB   . HIS   A 1 105 ? -17.994 -4.765  19.035  1.000 25.374 0 217 HIS   A CB   1 ? 
ATOM   1724 C  CG   . HIS   A 1 105 ? -18.910 -5.006  17.890  1.000 28.671 0 217 HIS   A CG   1 ? 
ATOM   1725 N  ND1  . HIS   A 1 105 ? -18.549 -5.822  16.846  1.000 32.319 0 217 HIS   A ND1  1 ? 
ATOM   1726 C  CD2  . HIS   A 1 105 ? -20.114 -4.504  17.563  1.000 30.648 0 217 HIS   A CD2  1 ? 
ATOM   1727 C  CE1  . HIS   A 1 105 ? -19.509 -5.808  15.930  1.000 33.482 0 217 HIS   A CE1  1 ? 
ATOM   1728 N  NE2  . HIS   A 1 105 ? -20.479 -5.030  16.357  1.000 29.048 0 217 HIS   A NE2  1 ? 
ATOM   1729 H  H    . HIS   A 1 105 ? -16.267 -3.853  20.632  1.000 24.344 0 217 HIS   A H    1 c 
ATOM   1730 H  HA   . HIS   A 1 105 ? -16.323 -4.103  17.991  1.000 24.867 0 217 HIS   A HA   1 c 
ATOM   1731 H  HB2  . HIS   A 1 105 ? -17.560 -5.608  19.284  1.000 25.710 0 217 HIS   A HB2  1 c 
ATOM   1732 H  HB3  . HIS   A 1 105 ? -18.514 -4.441  19.803  1.000 25.813 0 217 HIS   A HB3  1 c 
ATOM   1733 H  HD1  . HIS   A 1 105 ? -17.790 -6.279  16.792  0.000 32.999 0 217 HIS   A HD1  1 c 
ATOM   1734 H  HD2  . HIS   A 1 105 ? -20.627 -3.908  18.074  1.000 30.110 0 217 HIS   A HD2  1 c 
ATOM   1735 H  HE1  . HIS   A 1 105 ? -19.512 -6.307  15.133  1.000 32.413 0 217 HIS   A HE1  1 c 
ATOM   1736 H  HE2  . HIS   A 1 105 ? -21.218 -4.863  15.908  0.000 28.053 0 217 HIS   A HE2  1 c 
ATOM   1737 N  N    . LEU   A 1 106 ? -17.531 -2.283  16.800  1.000 22.956 0 218 LEU   A N    1 ? 
ATOM   1738 C  CA   . LEU   A 1 106 ? -18.067 -1.068  16.193  1.000 22.696 0 218 LEU   A CA   1 ? 
ATOM   1739 C  C    . LEU   A 1 106 ? -19.269 -1.388  15.301  1.000 23.552 0 218 LEU   A C    1 ? 
ATOM   1740 O  O    . LEU   A 1 106 ? -20.343 -0.824  15.477  1.000 25.635 0 218 LEU   A O    1 ? 
ATOM   1741 C  CB   . LEU   A 1 106 ? -16.987 -0.328  15.411  1.000 24.052 0 218 LEU   A CB   1 ? 
ATOM   1742 C  CG   . LEU   A 1 106 ? -17.447 0.948   14.687  1.000 26.210 0 218 LEU   A CG   1 ? 
ATOM   1743 C  CD1  . LEU   A 1 106 ? -18.007 2.001   15.640  1.000 29.832 0 218 LEU   A CD1  1 ? 
ATOM   1744 C  CD2  . LEU   A 1 106 ? -16.311 1.520   13.862  1.000 24.375 0 218 LEU   A CD2  1 ? 
ATOM   1745 H  H    . LEU   A 1 106 ? -17.176 -2.931  16.263  1.000 23.215 0 218 LEU   A H    1 c 
ATOM   1746 H  HA   . LEU   A 1 106 ? -18.384 -0.478  16.922  1.000 22.933 0 218 LEU   A HA   1 c 
ATOM   1747 H  HB2  . LEU   A 1 106 ? -16.265 -0.088  16.037  1.000 24.178 0 218 LEU   A HB2  1 c 
ATOM   1748 H  HB3  . LEU   A 1 106 ? -16.611 -0.947  14.743  1.000 23.920 0 218 LEU   A HB3  1 c 
ATOM   1749 H  HG   . LEU   A 1 106 ? -18.173 0.698   14.059  1.000 25.954 0 218 LEU   A HG   1 c 
ATOM   1750 H  HD11 . LEU   A 1 106 ? -18.784 1.643   16.102  1.000 28.980 0 218 LEU   A HD11 1 c 
ATOM   1751 H  HD12 . LEU   A 1 106 ? -18.268 2.790   15.135  1.000 29.267 0 218 LEU   A HD12 1 c 
ATOM   1752 H  HD13 . LEU   A 1 106 ? -17.328 2.244   16.291  1.000 29.004 0 218 LEU   A HD13 1 c 
ATOM   1753 H  HD21 . LEU   A 1 106 ? -16.020 0.861   13.210  1.000 24.668 0 218 LEU   A HD21 1 c 
ATOM   1754 H  HD22 . LEU   A 1 106 ? -15.568 1.747   14.446  1.000 24.649 0 218 LEU   A HD22 1 c 
ATOM   1755 H  HD23 . LEU   A 1 106 ? -16.615 2.319   13.401  1.000 24.661 0 218 LEU   A HD23 1 c 
ATOM   1756 N  N    . LEU   A 1 107 ? -19.069 -2.246  14.300  1.000 23.645 0 219 LEU   A N    1 ? 
ATOM   1757 C  CA   . LEU   A 1 107 ? -20.120 -2.540  13.335  1.000 24.315 0 219 LEU   A CA   1 ? 
ATOM   1758 C  C    . LEU   A 1 107 ? -19.871 -3.882  12.657  1.000 22.269 0 219 LEU   A C    1 ? 
ATOM   1759 O  O    . LEU   A 1 107 ? -18.771 -4.438  12.736  1.000 22.759 0 219 LEU   A O    1 ? 
ATOM   1760 C  CB   . LEU   A 1 107 ? -20.266 -1.418  12.310  1.000 24.095 0 219 LEU   A CB   1 ? 
ATOM   1761 C  CG   . LEU   A 1 107 ? -19.027 -1.071  11.476  1.000 22.983 0 219 LEU   A CG   1 ? 
ATOM   1762 C  CD1  . LEU   A 1 107 ? -18.881 -1.965  10.266  1.000 23.981 0 219 LEU   A CD1  1 ? 
ATOM   1763 C  CD2  . LEU   A 1 107 ? -19.098 0.402   11.027  1.000 23.158 0 219 LEU   A CD2  1 ? 
ATOM   1764 H  H    . LEU   A 1 107 ? -18.258 -2.657  14.211  1.000 23.755 0 219 LEU   A H    1 c 
ATOM   1765 H  HA   . LEU   A 1 107 ? -20.973 -2.615  13.835  1.000 23.783 0 219 LEU   A HA   1 c 
ATOM   1766 H  HB2  . LEU   A 1 107 ? -20.993 -1.661  11.692  1.000 23.834 0 219 LEU   A HB2  1 c 
ATOM   1767 H  HB3  . LEU   A 1 107 ? -20.554 -0.606  12.786  1.000 23.877 0 219 LEU   A HB3  1 c 
ATOM   1768 H  HG   . LEU   A 1 107 ? -18.224 -1.184  12.048  1.000 23.403 0 219 LEU   A HG   1 c 
ATOM   1769 H  HD11 . LEU   A 1 107 ? -18.780 -2.887  10.549  1.000 23.932 0 219 LEU   A HD11 1 c 
ATOM   1770 H  HD12 . LEU   A 1 107 ? -18.095 -1.697  9.759   1.000 23.794 0 219 LEU   A HD12 1 c 
ATOM   1771 H  HD13 . LEU   A 1 107 ? -19.670 -1.883  9.704   1.000 23.763 0 219 LEU   A HD13 1 c 
ATOM   1772 H  HD21 . LEU   A 1 107 ? -19.136 0.979   11.808  1.000 23.227 0 219 LEU   A HD21 1 c 
ATOM   1773 H  HD22 . LEU   A 1 107 ? -19.893 0.539   10.485  1.000 23.119 0 219 LEU   A HD22 1 c 
ATOM   1774 H  HD23 . LEU   A 1 107 ? -18.309 0.620   10.502  1.000 23.094 0 219 LEU   A HD23 1 c 
ATOM   1775 N  N    . GLN   A 1 108 ? -20.917 -4.323  11.967  1.000 22.620 0 220 GLN   A N    1 ? 
ATOM   1776 C  CA   . GLN   A 1 108 ? -20.829 -5.442  11.041  1.000 22.553 0 220 GLN   A CA   1 ? 
ATOM   1777 C  C    . GLN   A 1 108 ? -21.354 -4.975  9.690   1.000 19.748 0 220 GLN   A C    1 ? 
ATOM   1778 O  O    . GLN   A 1 108 ? -22.291 -4.198  9.645   1.000 25.551 0 220 GLN   A O    1 ? 
ATOM   1779 C  CB   . GLN   A 1 108 ? -21.660 -6.633  11.516  1.000 27.441 0 220 GLN   A CB   1 ? 
ATOM   1780 C  CG   . GLN   A 1 108 ? -21.163 -7.219  12.826  1.000 33.564 0 220 GLN   A CG   1 ? 
ATOM   1781 C  CD   . GLN   A 1 108 ? -22.035 -8.330  13.365  1.000 39.328 0 220 GLN   A CD   1 ? 
ATOM   1782 O  OE1  . GLN   A 1 108 ? -21.698 -8.967  14.374  1.000 48.689 0 220 GLN   A OE1  1 ? 
ATOM   1783 N  NE2  . GLN   A 1 108 ? -23.161 -8.583  12.705  1.000 39.428 0 220 GLN   A NE2  1 ? 
ATOM   1784 H  H    . GLN   A 1 108 ? -21.725 -3.909  12.076  1.000 22.507 0 220 GLN   A H    1 c 
ATOM   1785 H  HA   . GLN   A 1 108 ? -19.882 -5.708  10.951  1.000 22.596 0 220 GLN   A HA   1 c 
ATOM   1786 H  HB2  . GLN   A 1 108 ? -22.588 -6.339  11.625  1.000 27.272 0 220 GLN   A HB2  1 c 
ATOM   1787 H  HB3  . GLN   A 1 108 ? -21.643 -7.328  10.824  1.000 27.204 0 220 GLN   A HB3  1 c 
ATOM   1788 H  HG2  . GLN   A 1 108 ? -20.255 -7.569  12.697  1.000 32.842 0 220 GLN   A HG2  1 c 
ATOM   1789 H  HG3  . GLN   A 1 108 ? -21.113 -6.507  13.498  1.000 32.708 0 220 GLN   A HG3  1 c 
ATOM   1790 H  HE21 . GLN   A 1 108 ? -23.371 -8.157  11.961  1.000 39.069 0 220 GLN   A HE21 1 c 
ATOM   1791 H  HE22 . GLN   A 1 108 ? -23.715 -9.200  13.021  1.000 38.756 0 220 GLN   A HE22 1 c 
ATOM   1792 N  N    . TYR   A 1 109 ? -20.734 -5.437  8.613   1.000 19.328 0 221 TYR   A N    1 ? 
ATOM   1793 C  CA   . TYR   A 1 109 ? -21.078 -5.091  7.236   1.000 19.887 0 221 TYR   A CA   1 ? 
ATOM   1794 C  C    . TYR   A 1 109 ? -21.247 -6.408  6.457   1.000 20.256 0 221 TYR   A C    1 ? 
ATOM   1795 O  O    . TYR   A 1 109 ? -20.273 -7.135  6.245   1.000 21.517 0 221 TYR   A O    1 ? 
ATOM   1796 C  CB   . TYR   A 1 109 ? -19.988 -4.223  6.607   1.000 19.910 0 221 TYR   A CB   1 ? 
ATOM   1797 C  CG   . TYR   A 1 109 ? -20.333 -3.667  5.241   1.000 19.771 0 221 TYR   A CG   1 ? 
ATOM   1798 C  CD1  . TYR   A 1 109 ? -21.047 -2.474  5.159   1.000 21.654 0 221 TYR   A CD1  1 ? 
ATOM   1799 C  CD2  . TYR   A 1 109 ? -19.938 -4.270  4.051   1.000 20.473 0 221 TYR   A CD2  1 ? 
ATOM   1800 C  CE1  . TYR   A 1 109 ? -21.375 -1.923  3.940   1.000 20.973 0 221 TYR   A CE1  1 ? 
ATOM   1801 C  CE2  . TYR   A 1 109 ? -20.256 -3.712  2.815   1.000 21.803 0 221 TYR   A CE2  1 ? 
ATOM   1802 C  CZ   . TYR   A 1 109 ? -20.972 -2.526  2.766   1.000 20.864 0 221 TYR   A CZ   1 ? 
ATOM   1803 O  OH   . TYR   A 1 109 ? -21.285 -1.942  1.583   1.000 20.604 0 221 TYR   A OH   1 ? 
ATOM   1804 H  H    . TYR   A 1 109 ? -20.040 -6.017  8.743   1.000 19.481 0 221 TYR   A H    1 c 
ATOM   1805 H  HA   . TYR   A 1 109 ? -21.935 -4.590  7.228   1.000 19.983 0 221 TYR   A HA   1 c 
ATOM   1806 H  HB2  . TYR   A 1 109 ? -19.800 -3.473  7.215   1.000 19.827 0 221 TYR   A HB2  1 c 
ATOM   1807 H  HB3  . TYR   A 1 109 ? -19.167 -4.759  6.533   1.000 19.756 0 221 TYR   A HB3  1 c 
ATOM   1808 H  HD1  . TYR   A 1 109 ? -21.323 -2.042  5.952   1.000 21.051 0 221 TYR   A HD1  1 c 
ATOM   1809 H  HD2  . TYR   A 1 109 ? -19.444 -5.074  4.081   1.000 20.564 0 221 TYR   A HD2  1 c 
ATOM   1810 H  HE1  . TYR   A 1 109 ? -21.854 -1.113  3.906   1.000 20.957 0 221 TYR   A HE1  1 c 
ATOM   1811 H  HE2  . TYR   A 1 109 ? -19.980 -4.131  2.017   1.000 21.413 0 221 TYR   A HE2  1 c 
ATOM   1812 H  HH   . TYR   A 1 109 ? -20.656 -1.399  1.355   0.000 20.789 0 221 TYR   A HH   1 c 
ATOM   1813 N  N    . ASN   A 1 110 ? -22.487 -6.720  6.099   1.000 23.447 0 222 ASN   A N    1 ? 
ATOM   1814 C  CA   . ASN   A 1 110 ? -22.804 -7.950  5.365   1.000 23.137 0 222 ASN   A CA   1 ? 
ATOM   1815 C  C    . ASN   A 1 110 ? -22.079 -7.959  4.017   1.000 22.583 0 222 ASN   A C    1 ? 
ATOM   1816 O  O    . ASN   A 1 110 ? -22.056 -6.944  3.312   1.000 21.628 0 222 ASN   A O    1 ? 
ATOM   1817 C  CB   . ASN   A 1 110 ? -24.313 -8.091  5.160   1.000 25.865 0 222 ASN   A CB   1 ? 
ATOM   1818 C  CG   . ASN   A 1 110 ? -25.089 -8.413  6.421   1.000 31.259 0 222 ASN   A CG   1 ? 
ATOM   1819 O  OD1  . ASN   A 1 110 ? -26.275 -8.087  6.517   1.000 38.008 0 222 ASN   A OD1  1 ? 
ATOM   1820 N  ND2  . ASN   A 1 110 ? -24.473 -9.056  7.398   1.000 32.012 0 222 ASN   A ND2  1 ? 
ATOM   1821 H  H    . ASN   A 1 110 ? -23.168 -6.152  6.316   1.000 22.652 0 222 ASN   A H    1 c 
ATOM   1822 H  HA   . ASN   A 1 110 ? -22.495 -8.716  5.893   1.000 23.580 0 222 ASN   A HA   1 c 
ATOM   1823 H  HB2  . ASN   A 1 110 ? -24.658 -7.256  4.785   1.000 25.695 0 222 ASN   A HB2  1 c 
ATOM   1824 H  HB3  . ASN   A 1 110 ? -24.476 -8.799  4.505   1.000 25.851 0 222 ASN   A HB3  1 c 
ATOM   1825 H  HD21 . ASN   A 1 110 ? -23.760 -9.556  7.232   1.000 31.439 0 222 ASN   A HD21 1 c 
ATOM   1826 H  HD22 . ASN   A 1 110 ? -24.789 -8.993  8.228   1.000 31.503 0 222 ASN   A HD22 1 c 
ATOM   1827 N  N    . HIS   A 1 111 ? -21.537 -9.126  3.614   1.000 21.723 0 223 HIS   A N    1 ? 
ATOM   1828 C  CA   . HIS   A 1 111 ? -20.866 -9.271  2.322   1.000 20.290 0 223 HIS   A CA   1 ? 
ATOM   1829 C  C    . HIS   A 1 111 ? -21.863 -9.059  1.174   1.000 23.193 0 223 HIS   A C    1 ? 
ATOM   1830 O  O    . HIS   A 1 111 ? -22.827 -9.807  1.034   1.000 24.073 0 223 HIS   A O    1 ? 
ATOM   1831 C  CB   . HIS   A 1 111 ? -20.257 -10.674 2.164   1.000 19.698 0 223 HIS   A CB   1 ? 
ATOM   1832 C  CG   . HIS   A 1 111 ? -19.157 -10.965 3.110   1.000 19.726 0 223 HIS   A CG   1 ? 
ATOM   1833 N  ND1  . HIS   A 1 111 ? -18.122 -10.084 3.333   1.000 20.551 0 223 HIS   A ND1  1 ? 
ATOM   1834 C  CD2  . HIS   A 1 111 ? -18.949 -12.013 3.938   1.000 20.016 0 223 HIS   A CD2  1 ? 
ATOM   1835 C  CE1  . HIS   A 1 111 ? -17.310 -10.586 4.267   1.000 20.417 0 223 HIS   A CE1  1 ? 
ATOM   1836 N  NE2  . HIS   A 1 111 ? -17.805 -11.775 4.644   1.000 21.800 0 223 HIS   A NE2  1 ? 
ATOM   1837 H  H    . HIS   A 1 111 ? -21.591 -9.853  4.164   1.000 21.481 0 223 HIS   A H    1 c 
ATOM   1838 H  HA   . HIS   A 1 111 ? -20.154 -8.587  2.255   1.000 20.719 0 223 HIS   A HA   1 c 
ATOM   1839 H  HB2  . HIS   A 1 111 ? -20.966 -11.339 2.289   1.000 19.726 0 223 HIS   A HB2  1 c 
ATOM   1840 H  HB3  . HIS   A 1 111 ? -19.920 -10.769 1.246   1.000 19.836 0 223 HIS   A HB3  1 c 
ATOM   1841 H  HD1  . HIS   A 1 111 ? -18.045 -9.295  2.945   0.000 20.679 0 223 HIS   A HD1  1 c 
ATOM   1842 H  HD2  . HIS   A 1 111 ? -19.492 -12.771 4.019   1.000 19.900 0 223 HIS   A HD2  1 c 
ATOM   1843 H  HE1  . HIS   A 1 111 ? -16.520 -10.186 4.587   1.000 20.562 0 223 HIS   A HE1  1 c 
ATOM   1844 H  HE2  . HIS   A 1 111 ? -17.455 -12.310 5.250   0.000 22.584 0 223 HIS   A HE2  1 c 
ATOM   1845 N  N    . ARG   A 1 112 ? -21.622 -8.024  0.362   1.000 22.697 0 224 ARG   A N    1 ? 
ATOM   1846 C  CA   . ARG   A 1 112 ? -22.356 -7.762  -0.873  1.000 21.743 0 224 ARG   A CA   1 ? 
ATOM   1847 C  C    . ARG   A 1 112 ? -21.611 -8.422  -2.033  1.000 22.517 0 224 ARG   A C    1 ? 
ATOM   1848 O  O    . ARG   A 1 112 ? -22.243 -8.999  -2.929  1.000 22.706 0 224 ARG   A O    1 ? 
ATOM   1849 C  CB   . ARG   A 1 112 ? -22.490 -6.256  -1.120  1.000 21.220 0 224 ARG   A CB   1 ? 
ATOM   1850 C  CG   . ARG   A 1 112 ? -23.286 -5.574  -0.015  1.000 22.642 0 224 ARG   A CG   1 ? 
ATOM   1851 C  CD   . ARG   A 1 112 ? -23.492 -4.116  -0.375  1.000 21.931 0 224 ARG   A CD   1 ? 
ATOM   1852 N  NE   . ARG   A 1 112 ? -23.973 -3.389  0.798   1.000 22.556 0 224 ARG   A NE   1 ? 
ATOM   1853 C  CZ   . ARG   A 1 112 ? -24.169 -2.068  0.824   1.000 23.402 0 224 ARG   A CZ   1 ? 
ATOM   1854 N  NH1  . ARG   A 1 112 ? -24.002 -1.327  -0.253  1.000 22.895 0 224 ARG   A NH1  1 ? 
ATOM   1855 N  NH2  . ARG   A 1 112 ? -24.512 -1.511  1.947   1.000 22.500 0 224 ARG   A NH2  1 ? 
ATOM   1856 H  H    . ARG   A 1 112 ? -20.961 -7.439  0.599   1.000 22.705 0 224 ARG   A H    1 c 
ATOM   1857 H  HA   . ARG   A 1 112 ? -23.260 -8.163  -0.799  1.000 21.798 0 224 ARG   A HA   1 c 
ATOM   1858 H  HB2  . ARG   A 1 112 ? -21.596 -5.856  -1.169  1.000 21.445 0 224 ARG   A HB2  1 c 
ATOM   1859 H  HB3  . ARG   A 1 112 ? -22.938 -6.107  -1.980  1.000 21.489 0 224 ARG   A HB3  1 c 
ATOM   1860 H  HG2  . ARG   A 1 112 ? -24.158 -6.014  0.087   1.000 22.360 0 224 ARG   A HG2  1 c 
ATOM   1861 H  HG3  . ARG   A 1 112 ? -22.796 -5.636  0.834   1.000 22.347 0 224 ARG   A HG3  1 c 
ATOM   1862 H  HD2  . ARG   A 1 112 ? -22.650 -3.725  -0.683  1.000 22.165 0 224 ARG   A HD2  1 c 
ATOM   1863 H  HD3  . ARG   A 1 112 ? -24.149 -4.044  -1.098  1.000 22.200 0 224 ARG   A HD3  1 c 
ATOM   1864 H  HE   . ARG   A 1 112 ? -24.143 -3.844  1.523   1.000 22.065 0 224 ARG   A HE   1 c 
ATOM   1865 H  HH11 . ARG   A 1 112 ? -24.134 -0.454  -0.209  1.000 22.884 0 224 ARG   A HH11 1 c 
ATOM   1866 H  HH12 . ARG   A 1 112 ? -23.761 -1.696  -1.018  1.000 23.097 0 224 ARG   A HH12 1 c 
ATOM   1867 H  HH21 . ARG   A 1 112 ? -24.672 -0.642  1.978   1.000 22.185 0 224 ARG   A HH21 1 c 
ATOM   1868 H  HH22 . ARG   A 1 112 ? -24.585 -2.001  2.679   1.000 22.672 0 224 ARG   A HH22 1 c 
ATOM   1869 N  N    . VAL   A 1 113 ? -20.287 -8.262  -2.027  1.000 22.469 0 225 VAL   A N    1 ? 
ATOM   1870 C  CA   . VAL   A 1 113 ? -19.372 -9.000  -2.898  1.000 20.512 0 225 VAL   A CA   1 ? 
ATOM   1871 C  C    . VAL   A 1 113 ? -19.163 -10.399 -2.297  1.000 21.294 0 225 VAL   A C    1 ? 
ATOM   1872 O  O    . VAL   A 1 113 ? -18.718 -10.542 -1.163  1.000 22.650 0 225 VAL   A O    1 ? 
ATOM   1873 C  CB   . VAL   A 1 113 ? -18.057 -8.219  -3.105  1.000 23.038 0 225 VAL   A CB   1 ? 
ATOM   1874 C  CG1  . VAL   A 1 113 ? -16.981 -9.017  -3.808  1.000 23.545 0 225 VAL   A CG1  1 ? 
ATOM   1875 C  CG2  . VAL   A 1 113 ? -18.286 -6.938  -3.908  1.000 23.175 0 225 VAL   A CG2  1 ? 
ATOM   1876 H  H    . VAL   A 1 113 ? -19.931 -7.647  -1.453  1.000 22.261 0 225 VAL   A H    1 c 
ATOM   1877 H  HA   . VAL   A 1 113 ? -19.800 -9.100  -3.770  1.000 21.278 0 225 VAL   A HA   1 c 
ATOM   1878 H  HB   . VAL   A 1 113 ? -17.721 -7.966  -2.213  1.000 22.779 0 225 VAL   A HB   1 c 
ATOM   1879 H  HG11 . VAL   A 1 113 ? -17.305 -9.305  -4.678  1.000 23.439 0 225 VAL   A HG11 1 c 
ATOM   1880 H  HG12 . VAL   A 1 113 ? -16.750 -9.796  -3.275  1.000 23.488 0 225 VAL   A HG12 1 c 
ATOM   1881 H  HG13 . VAL   A 1 113 ? -16.191 -8.463  -3.926  1.000 23.494 0 225 VAL   A HG13 1 c 
ATOM   1882 H  HG21 . VAL   A 1 113 ? -17.443 -6.469  -4.020  1.000 23.180 0 225 VAL   A HG21 1 c 
ATOM   1883 H  HG22 . VAL   A 1 113 ? -18.914 -6.366  -3.434  1.000 23.298 0 225 VAL   A HG22 1 c 
ATOM   1884 H  HG23 . VAL   A 1 113 ? -18.649 -7.162  -4.781  1.000 23.117 0 225 VAL   A HG23 1 c 
ATOM   1885 N  N    . LYS   A 1 114 ? -19.548 -11.430 -3.047  1.000 23.296 0 226 LYS   A N    1 ? 
ATOM   1886 C  CA   . LYS   A 1 114 ? -19.597 -12.782 -2.486  1.000 24.665 0 226 LYS   A CA   1 ? 
ATOM   1887 C  C    . LYS   A 1 114 ? -18.252 -13.499 -2.654  1.000 22.831 0 226 LYS   A C    1 ? 
ATOM   1888 O  O    . LYS   A 1 114 ? -17.939 -14.423 -1.904  1.000 28.030 0 226 LYS   A O    1 ? 
ATOM   1889 C  CB   . LYS   A 1 114 ? -20.741 -13.592 -3.109  1.000 27.252 0 226 LYS   A CB   1 ? 
ATOM   1890 C  CG   . LYS   A 1 114 ? -22.054 -12.879 -3.307  1.000 29.201 0 226 LYS   A CG   1 ? 
ATOM   1891 C  CD   . LYS   A 1 114 ? -22.586 -12.353 -1.991  1.000 29.058 0 226 LYS   A CD   1 ? 
ATOM   1892 C  CE   . LYS   A 1 114 ? -24.003 -11.912 -2.062  1.000 28.764 0 226 LYS   A CE   1 ? 
ATOM   1893 N  NZ   . LYS   A 1 114 ? -24.452 -11.528 -0.720  1.000 31.314 0 226 LYS   A NZ   1 ? 
ATOM   1894 H  H    . LYS   A 1 114 ? -19.779 -11.301 -3.921  1.000 22.967 0 226 LYS   A H    1 c 
ATOM   1895 H  HA   . LYS   A 1 114 ? -19.784 -12.706 -1.516  1.000 24.410 0 226 LYS   A HA   1 c 
ATOM   1896 H  HB2  . LYS   A 1 114 ? -20.443 -13.924 -3.982  1.000 27.200 0 226 LYS   A HB2  1 c 
ATOM   1897 H  HB3  . LYS   A 1 114 ? -20.905 -14.375 -2.540  1.000 27.435 0 226 LYS   A HB3  1 c 
ATOM   1898 H  HG2  . LYS   A 1 114 ? -21.925 -12.133 -3.931  1.000 28.657 0 226 LYS   A HG2  1 c 
ATOM   1899 H  HG3  . LYS   A 1 114 ? -22.703 -13.505 -3.697  1.000 28.974 0 226 LYS   A HG3  1 c 
ATOM   1900 H  HD2  . LYS   A 1 114 ? -22.508 -13.059 -1.316  1.000 28.930 0 226 LYS   A HD2  1 c 
ATOM   1901 H  HD3  . LYS   A 1 114 ? -22.031 -11.596 -1.702  1.000 28.954 0 226 LYS   A HD3  1 c 
ATOM   1902 H  HE2  . LYS   A 1 114 ? -24.086 -11.150 -2.663  1.000 29.233 0 226 LYS   A HE2  1 c 
ATOM   1903 H  HE3  . LYS   A 1 114 ? -24.563 -12.636 -2.397  1.000 29.004 0 226 LYS   A HE3  1 c 
ATOM   1904 H  HZ1  . LYS   A 1 114 ? -23.931 -10.859 -0.401  1.000 30.920 0 226 LYS   A HZ1  1 c 
ATOM   1905 H  HZ2  . LYS   A 1 114 ? -24.398 -12.239 -0.165  1.000 30.921 0 226 LYS   A HZ2  1 c 
ATOM   1906 H  HZ3  . LYS   A 1 114 ? -25.311 -11.244 -0.756  1.000 30.781 0 226 LYS   A HZ3  1 c 
ATOM   1907 N  N    . LYS   A 1 115 ? -17.459 -13.100 -3.649  1.000 23.368 0 227 LYS   A N    1 ? 
ATOM   1908 C  CA   . LYS   A 1 115 ? -16.223 -13.798 -3.972  1.000 24.502 0 227 LYS   A CA   1 ? 
ATOM   1909 C  C    . LYS   A 1 115 ? -15.086 -13.338 -3.066  1.000 22.072 0 227 LYS   A C    1 ? 
ATOM   1910 O  O    . LYS   A 1 115 ? -14.196 -12.600 -3.553  1.000 25.739 0 227 LYS   A O    1 ? 
ATOM   1911 C  CB   . LYS   A 1 115 ? -15.794 -13.621 -5.432  1.000 30.232 0 227 LYS   A CB   1 ? 
ATOM   1912 C  CG   . LYS   A 1 115 ? -16.679 -14.260 -6.454  1.000 38.020 0 227 LYS   A CG   1 ? 
ATOM   1913 C  CD   . LYS   A 1 115 ? -16.027 -14.500 -7.806  1.000 42.511 0 227 LYS   A CD   1 ? 
ATOM   1914 C  CE   . LYS   A 1 115 ? -16.926 -15.333 -8.670  1.000 46.699 0 227 LYS   A CE   1 ? 
ATOM   1915 N  NZ   . LYS   A 1 115 ? -16.993 -14.837 -10.051 1.000 48.389 0 227 LYS   A NZ   1 ? 
ATOM   1916 H  H    . LYS   A 1 115 ? -17.692 -12.369 -4.145  1.000 23.637 0 227 LYS   A H    1 c 
ATOM   1917 H  HA   . LYS   A 1 115 ? -16.367 -14.766 -3.820  1.000 24.376 0 227 LYS   A HA   1 c 
ATOM   1918 H  HB2  . LYS   A 1 115 ? -15.747 -12.660 -5.628  1.000 30.183 0 227 LYS   A HB2  1 c 
ATOM   1919 H  HB3  . LYS   A 1 115 ? -14.890 -13.988 -5.540  1.000 30.087 0 227 LYS   A HB3  1 c 
ATOM   1920 H  HG2  . LYS   A 1 115 ? -16.993 -15.119 -6.098  1.000 36.960 0 227 LYS   A HG2  1 c 
ATOM   1921 H  HG3  . LYS   A 1 115 ? -17.465 -13.686 -6.581  1.000 37.036 0 227 LYS   A HG3  1 c 
ATOM   1922 H  HD2  . LYS   A 1 115 ? -15.851 -13.641 -8.246  1.000 42.412 0 227 LYS   A HD2  1 c 
ATOM   1923 H  HD3  . LYS   A 1 115 ? -15.175 -14.970 -7.678  1.000 42.210 0 227 LYS   A HD3  1 c 
ATOM   1924 H  HE2  . LYS   A 1 115 ? -16.593 -16.248 -8.681  1.000 46.242 0 227 LYS   A HE2  1 c 
ATOM   1925 H  HE3  . LYS   A 1 115 ? -17.824 -15.340 -8.293  1.000 46.153 0 227 LYS   A HE3  1 c 
ATOM   1926 H  HZ1  . LYS   A 1 115 ? -16.166 -14.839 -10.420 1.000 47.946 0 227 LYS   A HZ1  1 c 
ATOM   1927 H  HZ2  . LYS   A 1 115 ? -17.319 -13.991 -10.056 1.000 48.103 0 227 LYS   A HZ2  1 c 
ATOM   1928 H  HZ3  . LYS   A 1 115 ? -17.540 -15.367 -10.542 1.000 48.074 0 227 LYS   A HZ3  1 c 
ATOM   1929 N  N    . LEU   A 1 116 ? -15.099 -13.775 -1.791  1.000 23.464 0 228 LEU   A N    1 ? 
ATOM   1930 C  CA   . LEU   A 1 116 ? -14.098 -13.366 -0.797  1.000 19.772 0 228 LEU   A CA   1 ? 
ATOM   1931 C  C    . LEU   A 1 116 ? -12.688 -13.658 -1.306  1.000 22.958 0 228 LEU   A C    1 ? 
ATOM   1932 O  O    . LEU   A 1 116 ? -11.760 -12.896 -1.011  1.000 22.514 0 228 LEU   A O    1 ? 
ATOM   1933 C  CB   . LEU   A 1 116 ? -14.260 -13.910 0.641   1.000 21.152 0 228 LEU   A CB   1 ? 
ATOM   1934 C  CG   . LEU   A 1 116 ? -15.644 -13.776 1.255   1.000 21.848 0 228 LEU   A CG   1 ? 
ATOM   1935 C  CD1  . LEU   A 1 116 ? -15.665 -14.338 2.626   1.000 23.633 0 228 LEU   A CD1  1 ? 
ATOM   1936 C  CD2  . LEU   A 1 116 ? -15.991 -12.295 1.306   1.000 24.971 0 228 LEU   A CD2  1 ? 
ATOM   1937 H  H    . LEU   A 1 116 ? -15.758 -14.352 -1.533  1.000 22.277 0 228 LEU   A H    1 c 
ATOM   1938 H  HA   . LEU   A 1 116 ? -14.161 -12.382 -0.737  1.000 20.434 0 228 LEU   A HA   1 c 
ATOM   1939 H  HB2  . LEU   A 1 116 ? -14.015 -14.864 0.637   1.000 21.305 0 228 LEU   A HB2  1 c 
ATOM   1940 H  HB3  . LEU   A 1 116 ? -13.617 -13.443 1.221   1.000 20.976 0 228 LEU   A HB3  1 c 
ATOM   1941 H  HG   . LEU   A 1 116 ? -16.301 -14.250 0.686   1.000 22.237 0 228 LEU   A HG   1 c 
ATOM   1942 H  HD11 . LEU   A 1 116 ? -15.446 -15.284 2.593   1.000 23.554 0 228 LEU   A HD11 1 c 
ATOM   1943 H  HD12 . LEU   A 1 116 ? -16.549 -14.224 3.011   1.000 23.257 0 228 LEU   A HD12 1 c 
ATOM   1944 H  HD13 . LEU   A 1 116 ? -15.011 -13.874 3.177   1.000 23.332 0 228 LEU   A HD13 1 c 
ATOM   1945 H  HD21 . LEU   A 1 116 ? -16.024 -11.934 0.404   1.000 24.372 0 228 LEU   A HD21 1 c 
ATOM   1946 H  HD22 . LEU   A 1 116 ? -15.316 -11.820 1.820   1.000 24.366 0 228 LEU   A HD22 1 c 
ATOM   1947 H  HD23 . LEU   A 1 116 ? -16.859 -12.180 1.729   1.000 24.328 0 228 LEU   A HD23 1 c 
ATOM   1948 N  N    . ASN   A 1 117 ? -12.497 -14.758 -2.038  1.000 25.670 0 229 ASN   A N    1 ? 
ATOM   1949 C  CA   . ASN   A 1 117 ? -11.142 -15.116 -2.429  1.000 24.520 0 229 ASN   A CA   1 ? 
ATOM   1950 C  C    . ASN   A 1 117 ? -10.613 -14.300 -3.605  1.000 25.122 0 229 ASN   A C    1 ? 
ATOM   1951 O  O    . ASN   A 1 117 ? -9.520  -14.606 -4.081  1.000 28.285 0 229 ASN   A O    1 ? 
ATOM   1952 C  CB   . ASN   A 1 117 ? -11.009 -16.590 -2.769  1.000 29.355 0 229 ASN   A CB   1 ? 
ATOM   1953 C  CG   . ASN   A 1 117 ? -11.755 -17.057 -3.994  1.000 34.708 0 229 ASN   A CG   1 ? 
ATOM   1954 O  OD1  . ASN   A 1 117 ? -12.627 -16.379 -4.522  1.000 39.834 0 229 ASN   A OD1  1 ? 
ATOM   1955 N  ND2  . ASN   A 1 117 ? -11.463 -18.275 -4.422  1.000 43.268 0 229 ASN   A ND2  1 ? 
ATOM   1956 H  H    . ASN   A 1 117 ? -13.197 -15.289 -2.288  1.000 24.875 0 229 ASN   A H    1 c 
ATOM   1957 H  HA   . ASN   A 1 117 ? -10.555 -14.946 -1.659  1.000 24.518 0 229 ASN   A HA   1 c 
ATOM   1958 H  HB2  . ASN   A 1 117 ? -10.061 -16.795 -2.894  1.000 28.424 0 229 ASN   A HB2  1 c 
ATOM   1959 H  HB3  . ASN   A 1 117 ? -11.322 -17.113 -2.004  1.000 28.506 0 229 ASN   A HB3  1 c 
ATOM   1960 H  HD21 . ASN   A 1 117 ? -10.861 -18.765 -3.992  1.000 40.966 0 229 ASN   A HD21 1 c 
ATOM   1961 H  HD22 . ASN   A 1 117 ? -11.872 -18.603 -5.137  1.000 40.900 0 229 ASN   A HD22 1 c 
ATOM   1962 N  N    . GLU   A 1 118 ? -11.370 -13.286 -4.040  1.000 24.051 0 230 GLU   A N    1 ? 
ATOM   1963 C  CA   . GLU   A 1 118 ? -10.907 -12.344 -5.050  1.000 24.051 0 230 GLU   A CA   1 ? 
ATOM   1964 C  C    . GLU   A 1 118 ? -10.751 -10.941 -4.477  1.000 21.224 0 230 GLU   A C    1 ? 
ATOM   1965 O  O    . GLU   A 1 118 ? -10.374 -10.037 -5.254  1.000 23.082 0 230 GLU   A O    1 ? 
ATOM   1966 C  CB   . GLU   A 1 118 ? -11.847 -12.361 -6.249  1.000 24.514 0 230 GLU   A CB   1 ? 
ATOM   1967 C  CG   . GLU   A 1 118 ? -11.882 -13.719 -6.943  1.000 28.269 0 230 GLU   A CG   1 ? 
ATOM   1968 C  CD   . GLU   A 1 118 ? -12.684 -13.717 -8.232  1.000 31.354 0 230 GLU   A CD   1 ? 
ATOM   1969 O  OE1  . GLU   A 1 118 ? -13.267 -12.678 -8.657  1.000 29.167 0 230 GLU   A OE1  1 ? 
ATOM   1970 O  OE2  . GLU   A 1 118 ? -12.724 -14.816 -8.814  1.000 32.264 0 230 GLU   A OE2  1 ? 
ATOM   1971 H  H    . GLU   A 1 118 ? -12.219 -13.191 -3.716  1.000 24.229 0 230 GLU   A H    1 c 
ATOM   1972 H  HA   . GLU   A 1 118 ? -10.018 -12.643 -5.367  1.000 23.702 0 230 GLU   A HA   1 c 
ATOM   1973 H  HB2  . GLU   A 1 118 ? -12.751 -12.130 -5.947  1.000 25.033 0 230 GLU   A HB2  1 c 
ATOM   1974 H  HB3  . GLU   A 1 118 ? -11.560 -11.678 -6.889  1.000 24.945 0 230 GLU   A HB3  1 c 
ATOM   1975 H  HG2  . GLU   A 1 118 ? -10.964 -14.000 -7.145  1.000 28.070 0 230 GLU   A HG2  1 c 
ATOM   1976 H  HG3  . GLU   A 1 118 ? -12.270 -14.382 -6.333  1.000 28.093 0 230 GLU   A HG3  1 c 
ATOM   1977 N  N    . ILE   A 1 119 ? -10.977 -10.782 -3.156  1.000 18.930 0 231 ILE   A N    1 ? 
ATOM   1978 C  CA   . ILE   A 1 119 ? -10.836 -9.472  -2.506  1.000 19.892 0 231 ILE   A CA   1 ? 
ATOM   1979 C  C    . ILE   A 1 119 ? -9.370  -9.363  -2.082  1.000 21.074 0 231 ILE   A C    1 ? 
ATOM   1980 O  O    . ILE   A 1 119 ? -9.039  -9.704  -0.932  1.000 23.945 0 231 ILE   A O    1 ? 
ATOM   1981 C  CB   . ILE   A 1 119 ? -11.825 -9.250  -1.335  1.000 20.348 0 231 ILE   A CB   1 ? 
ATOM   1982 C  CG1  . ILE   A 1 119 ? -13.272 -9.351  -1.799  1.000 22.093 0 231 ILE   A CG1  1 ? 
ATOM   1983 C  CG2  . ILE   A 1 119 ? -11.586 -7.901  -0.663  1.000 22.132 0 231 ILE   A CG2  1 ? 
ATOM   1984 C  CD1  . ILE   A 1 119 ? -14.289 -9.526  -0.694  1.000 23.047 0 231 ILE   A CD1  1 ? 
ATOM   1985 H  H    . ILE   A 1 119 ? -11.219 -11.501 -2.646  1.000 19.356 0 231 ILE   A H    1 c 
ATOM   1986 H  HA   . ILE   A 1 119 ? -11.014 -8.783  -3.174  1.000 20.046 0 231 ILE   A HA   1 c 
ATOM   1987 H  HB   . ILE   A 1 119 ? -11.669 -9.952  -0.672  1.000 20.642 0 231 ILE   A HB   1 c 
ATOM   1988 H  HG12 . ILE   A 1 119 ? -13.495 -8.542  -2.302  1.000 21.948 0 231 ILE   A HG12 1 c 
ATOM   1989 H  HG13 . ILE   A 1 119 ? -13.350 -10.111 -2.412  1.000 21.703 0 231 ILE   A HG13 1 c 
ATOM   1990 H  HG21 . ILE   A 1 119 ? -12.222 -7.782  0.062   1.000 21.800 0 231 ILE   A HG21 1 c 
ATOM   1991 H  HG22 . ILE   A 1 119 ? -11.704 -7.188  -1.314  1.000 21.819 0 231 ILE   A HG22 1 c 
ATOM   1992 H  HG23 . ILE   A 1 119 ? -10.684 -7.865  -0.306  1.000 21.764 0 231 ILE   A HG23 1 c 
ATOM   1993 H  HD11 . ILE   A 1 119 ? -14.063 -10.310 -0.159  1.000 22.551 0 231 ILE   A HD11 1 c 
ATOM   1994 H  HD12 . ILE   A 1 119 ? -15.176 -9.647  -1.085  1.000 22.734 0 231 ILE   A HD12 1 c 
ATOM   1995 H  HD13 . ILE   A 1 119 ? -14.294 -8.735  -0.122  1.000 22.607 0 231 ILE   A HD13 1 c 
ATOM   1996 N  N    . SER   A 1 120 ? -8.501  -8.920  -3.017  1.000 21.834 0 232 SER   A N    1 ? 
ATOM   1997 C  CA   . SER   A 1 120 ? -7.073  -9.223  -2.959  1.000 22.113 0 232 SER   A CA   1 ? 
ATOM   1998 C  C    . SER   A 1 120 ? -6.182  -8.020  -2.640  1.000 22.378 0 232 SER   A C    1 ? 
ATOM   1999 O  O    . SER   A 1 120 ? -4.955  -8.154  -2.656  1.000 23.271 0 232 SER   A O    1 ? 
ATOM   2000 C  CB   . SER   A 1 120 ? -6.622  -9.869  -4.263  1.000 21.887 0 232 SER   A CB   1 ? 
ATOM   2001 O  OG   . SER   A 1 120 ? -7.371  -11.057 -4.465  1.000 25.354 0 232 SER   A OG   1 ? 
ATOM   2002 H  H    . SER   A 1 120 ? -8.815  -8.416  -3.712  1.000 21.501 0 232 SER   A H    1 c 
ATOM   2003 H  HA   . SER   A 1 120 ? -6.939  -9.885  -2.238  1.000 21.916 0 232 SER   A HA   1 c 
ATOM   2004 H  HB2  . SER   A 1 120 ? -6.770  -9.252  -5.005  1.000 22.206 0 232 SER   A HB2  1 c 
ATOM   2005 H  HB3  . SER   A 1 120 ? -5.670  -10.082 -4.215  1.000 22.129 0 232 SER   A HB3  1 c 
ATOM   2006 H  HG   . SER   A 1 120 ? -7.127  -11.413 -5.195  0.000 26.082 0 232 SER   A HG   1 c 
ATOM   2007 N  N    . LYS   A 1 121 ? -6.788  -6.861  -2.328  1.000 20.913 0 233 LYS   A N    1 ? 
ATOM   2008 C  CA   . LYS   A 1 121 ? -6.027  -5.703  -1.860  1.000 21.815 0 233 LYS   A CA   1 ? 
ATOM   2009 C  C    . LYS   A 1 121 ? -6.855  -4.924  -0.842  1.000 21.000 0 233 LYS   A C    1 ? 
ATOM   2010 O  O    . LYS   A 1 121 ? -8.070  -4.830  -0.950  1.000 19.976 0 233 LYS   A O    1 ? 
ATOM   2011 C  CB   . LYS   A 1 121 ? -5.714  -4.725  -3.003  1.000 26.798 0 233 LYS   A CB   1 ? 
ATOM   2012 C  CG   . LYS   A 1 121 ? -4.818  -5.231  -4.121  1.000 32.321 0 233 LYS   A CG   1 ? 
ATOM   2013 C  CD   . LYS   A 1 121 ? -4.618  -4.173  -5.211  1.000 39.530 0 233 LYS   A CD   1 ? 
ATOM   2014 C  CE   . LYS   A 1 121 ? -3.940  -4.675  -6.459  1.000 48.248 0 233 LYS   A CE   1 ? 
ATOM   2015 N  NZ   . LYS   A 1 121 ? -2.516  -4.952  -6.245  1.000 53.895 0 233 LYS   A NZ   1 ? 
ATOM   2016 H  H    . LYS   A 1 121 ? -7.694  -6.788  -2.411  1.000 21.249 0 233 LYS   A H    1 c 
ATOM   2017 H  HA   . LYS   A 1 121 ? -5.190  -6.016  -1.433  1.000 22.188 0 233 LYS   A HA   1 c 
ATOM   2018 H  HB2  . LYS   A 1 121 ? -6.563  -4.441  -3.403  1.000 26.399 0 233 LYS   A HB2  1 c 
ATOM   2019 H  HB3  . LYS   A 1 121 ? -5.293  -3.926  -2.617  1.000 26.456 0 233 LYS   A HB3  1 c 
ATOM   2020 H  HG2  . LYS   A 1 121 ? -3.946  -5.478  -3.742  1.000 31.740 0 233 LYS   A HG2  1 c 
ATOM   2021 H  HG3  . LYS   A 1 121 ? -5.223  -6.034  -4.515  1.000 31.675 0 233 LYS   A HG3  1 c 
ATOM   2022 H  HD2  . LYS   A 1 121 ? -5.496  -3.808  -5.457  1.000 38.903 0 233 LYS   A HD2  1 c 
ATOM   2023 H  HD3  . LYS   A 1 121 ? -4.086  -3.436  -4.839  1.000 38.866 0 233 LYS   A HD3  1 c 
ATOM   2024 H  HE2  . LYS   A 1 121 ? -4.377  -5.493  -6.756  1.000 47.390 0 233 LYS   A HE2  1 c 
ATOM   2025 H  HE3  . LYS   A 1 121 ? -4.030  -4.012  -7.166  1.000 47.424 0 233 LYS   A HE3  1 c 
ATOM   2026 H  HZ1  . LYS   A 1 121 ? -2.417  -5.578  -5.598  1.000 52.676 0 233 LYS   A HZ1  1 c 
ATOM   2027 H  HZ2  . LYS   A 1 121 ? -2.092  -4.192  -5.992  1.000 52.681 0 233 LYS   A HZ2  1 c 
ATOM   2028 H  HZ3  . LYS   A 1 121 ? -2.144  -5.257  -7.013  1.000 52.801 0 233 LYS   A HZ3  1 c 
ATOM   2029 N  N    . LEU   A 1 122 ? -6.156  -4.357  0.143   1.000 20.701 0 234 LEU   A N    1 ? 
ATOM   2030 C  CA   . LEU   A 1 122 ? -6.738  -3.402  1.066   1.000 20.877 0 234 LEU   A CA   1 ? 
ATOM   2031 C  C    . LEU   A 1 122 ? -6.012  -2.067  0.914   1.000 23.455 0 234 LEU   A C    1 ? 
ATOM   2032 O  O    . LEU   A 1 122 ? -4.838  -1.961  1.227   1.000 24.222 0 234 LEU   A O    1 ? 
ATOM   2033 C  CB   . LEU   A 1 122 ? -6.629  -3.892  2.513   1.000 21.972 0 234 LEU   A CB   1 ? 
ATOM   2034 C  CG   . LEU   A 1 122 ? -6.996  -2.881  3.605   1.000 22.640 0 234 LEU   A CG   1 ? 
ATOM   2035 C  CD1  . LEU   A 1 122 ? -8.416  -2.406  3.423   1.000 24.026 0 234 LEU   A CD1  1 ? 
ATOM   2036 C  CD2  . LEU   A 1 122 ? -6.800  -3.472  4.991   1.000 26.132 0 234 LEU   A CD2  1 ? 
ATOM   2037 H  H    . LEU   A 1 122 ? -5.276  -4.578  0.245   1.000 20.856 0 234 LEU   A H    1 c 
ATOM   2038 H  HA   . LEU   A 1 122 ? -7.692  -3.280  0.834   1.000 21.318 0 234 LEU   A HA   1 c 
ATOM   2039 H  HB2  . LEU   A 1 122 ? -7.211  -4.679  2.614   1.000 22.025 0 234 LEU   A HB2  1 c 
ATOM   2040 H  HB3  . LEU   A 1 122 ? -5.703  -4.190  2.666   1.000 21.886 0 234 LEU   A HB3  1 c 
ATOM   2041 H  HG   . LEU   A 1 122 ? -6.394  -2.098  3.520   1.000 23.024 0 234 LEU   A HG   1 c 
ATOM   2042 H  HD11 . LEU   A 1 122 ? -8.504  -1.960  2.564   1.000 23.756 0 234 LEU   A HD11 1 c 
ATOM   2043 H  HD12 . LEU   A 1 122 ? -8.642  -1.784  4.133   1.000 23.807 0 234 LEU   A HD12 1 c 
ATOM   2044 H  HD13 . LEU   A 1 122 ? -9.020  -3.167  3.455   1.000 23.609 0 234 LEU   A HD13 1 c 
ATOM   2045 H  HD21 . LEU   A 1 122 ? -5.869  -3.729  5.106   1.000 25.291 0 234 LEU   A HD21 1 c 
ATOM   2046 H  HD22 . LEU   A 1 122 ? -7.367  -4.254  5.095   1.000 25.489 0 234 LEU   A HD22 1 c 
ATOM   2047 H  HD23 . LEU   A 1 122 ? -7.037  -2.810  5.662   1.000 25.454 0 234 LEU   A HD23 1 c 
ATOM   2048 N  N    . GLY   A 1 123 ? -6.748  -1.058  0.453   1.000 21.557 0 235 GLY   A N    1 ? 
ATOM   2049 C  CA   . GLY   A 1 123 ? -6.238  0.305   0.407   1.000 21.247 0 235 GLY   A CA   1 ? 
ATOM   2050 C  C    . GLY   A 1 123 ? -6.491  1.027   1.728   1.000 22.124 0 235 GLY   A C    1 ? 
ATOM   2051 O  O    . GLY   A 1 123 ? -7.582  0.915   2.301   1.000 22.750 0 235 GLY   A O    1 ? 
ATOM   2052 H  H    . GLY   A 1 123 ? -7.596  -1.220  0.153   1.000 21.736 0 235 GLY   A H    1 c 
ATOM   2053 H  HA2  . GLY   A 1 123 ? -5.272  0.286   0.215   1.000 21.478 0 235 GLY   A HA2  1 c 
ATOM   2054 H  HA3  . GLY   A 1 123 ? -6.684  0.793   -0.325  1.000 21.553 0 235 GLY   A HA3  1 c 
ATOM   2055 N  N    . ILE   A 1 124 ? -5.465  1.752   2.190   1.000 21.909 0 236 ILE   A N    1 ? 
ATOM   2056 C  CA   . ILE   A 1 124 ? -5.538  2.540   3.424   1.000 22.808 0 236 ILE   A CA   1 ? 
ATOM   2057 C  C    . ILE   A 1 124 ? -5.180  3.977   3.062   1.000 21.840 0 236 ILE   A C    1 ? 
ATOM   2058 O  O    . ILE   A 1 124 ? -4.086  4.179   2.520   1.000 22.972 0 236 ILE   A O    1 ? 
ATOM   2059 C  CB   . ILE   A 1 124 ? -4.549  1.964   4.454   1.000 24.208 0 236 ILE   A CB   1 ? 
ATOM   2060 C  CG1  . ILE   A 1 124 ? -4.843  0.478   4.706   1.000 26.623 0 236 ILE   A CG1  1 ? 
ATOM   2061 C  CG2  . ILE   A 1 124 ? -4.552  2.781   5.743   1.000 25.649 0 236 ILE   A CG2  1 ? 
ATOM   2062 C  CD1  . ILE   A 1 124 ? -3.717  -0.279  5.360   1.000 29.869 0 236 ILE   A CD1  1 ? 
ATOM   2063 H  H    . ILE   A 1 124 ? -4.684  1.762   1.715   1.000 22.061 0 236 ILE   A H    1 c 
ATOM   2064 H  HA   . ILE   A 1 124 ? -6.445  2.503   3.784   1.000 22.792 0 236 ILE   A HA   1 c 
ATOM   2065 H  HB   . ILE   A 1 124 ? -3.653  2.024   4.066   1.000 24.312 0 236 ILE   A HB   1 c 
ATOM   2066 H  HG12 . ILE   A 1 124 ? -5.635  0.409   5.275   1.000 26.706 0 236 ILE   A HG12 1 c 
ATOM   2067 H  HG13 . ILE   A 1 124 ? -5.050  0.046   3.853   1.000 26.683 0 236 ILE   A HG13 1 c 
ATOM   2068 H  HG21 . ILE   A 1 124 ? -3.931  2.388   6.379   1.000 25.420 0 236 ILE   A HG21 1 c 
ATOM   2069 H  HG22 . ILE   A 1 124 ? -5.445  2.783   6.125   1.000 25.406 0 236 ILE   A HG22 1 c 
ATOM   2070 H  HG23 . ILE   A 1 124 ? -4.280  3.694   5.553   1.000 25.193 0 236 ILE   A HG23 1 c 
ATOM   2071 H  HD11 . ILE   A 1 124 ? -2.931  -0.248  4.786   1.000 29.211 0 236 ILE   A HD11 1 c 
ATOM   2072 H  HD12 . ILE   A 1 124 ? -3.984  -1.209  5.494   1.000 29.249 0 236 ILE   A HD12 1 c 
ATOM   2073 H  HD13 . ILE   A 1 124 ? -3.504  0.123   6.223   1.000 29.049 0 236 ILE   A HD13 1 c 
ATOM   2074 N  N    A SER   A 1 125 ? -6.096  4.932   3.315   0.500 20.407 0 237 SER   A N    1 ? 
ATOM   2075 N  N    B SER   A 1 125 ? -6.092  4.932   3.318   0.500 22.082 0 237 SER   A N    1 ? 
ATOM   2076 C  CA   A SER   A 1 125 ? -5.911  6.322   2.890   0.500 20.059 0 237 SER   A CA   1 ? 
ATOM   2077 C  CA   B SER   A 1 125 ? -5.857  6.329   2.958   0.500 23.240 0 237 SER   A CA   1 ? 
ATOM   2078 C  C    A SER   A 1 125 ? -6.571  7.294   3.867   0.500 20.980 0 237 SER   A C    1 ? 
ATOM   2079 C  C    B SER   A 1 125 ? -6.426  7.279   4.004   0.500 22.862 0 237 SER   A C    1 ? 
ATOM   2080 O  O    A SER   A 1 125 ? -7.417  6.914   4.675   0.500 20.215 0 237 SER   A O    1 ? 
ATOM   2081 O  O    B SER   A 1 125 ? -7.056  6.879   4.982   0.500 20.454 0 237 SER   A O    1 ? 
ATOM   2082 C  CB   A SER   A 1 125 ? -6.417  6.539   1.467   0.500 19.433 0 237 SER   A CB   1 ? 
ATOM   2083 C  CB   B SER   A 1 125 ? -6.438  6.666   1.607   0.500 25.748 0 237 SER   A CB   1 ? 
ATOM   2084 O  OG   A SER   A 1 125 ? -7.818  6.309   1.371   0.500 19.226 0 237 SER   A OG   1 ? 
ATOM   2085 O  OG   B SER   A 1 125 ? -6.377  5.556   0.735   0.500 29.965 0 237 SER   A OG   1 ? 
ATOM   2086 H  H    A SER   A 1 125 ? -6.858  4.709   3.767   0.500 20.617 0 237 SER   A H    1 c 
ATOM   2087 H  H    B SER   A 1 125 ? -6.879  4.706   3.724   0.500 22.268 0 237 SER   A H    1 c 
ATOM   2088 H  HA   A SER   A 1 125 ? -4.938  6.512   2.895   0.500 20.115 0 237 SER   A HA   1 c 
ATOM   2089 H  HA   B SER   A 1 125 ? -4.878  6.477   2.917   0.500 23.307 0 237 SER   A HA   1 c 
ATOM   2090 H  HB2  A SER   A 1 125 ? -6.221  7.454   1.191   0.500 19.192 0 237 SER   A HB2  1 c 
ATOM   2091 H  HB2  B SER   A 1 125 ? -7.367  6.943   1.716   0.500 25.957 0 237 SER   A HB2  1 c 
ATOM   2092 H  HB3  A SER   A 1 125 ? -5.948  5.933   0.863   0.500 19.174 0 237 SER   A HB3  1 c 
ATOM   2093 H  HB3  B SER   A 1 125 ? -5.940  7.411   1.219   0.500 25.689 0 237 SER   A HB3  1 c 
ATOM   2094 H  HG   A SER   A 1 125 ? -8.072  6.403   0.579   0.000 19.763 0 237 SER   A HG   1 c 
ATOM   2095 H  HG   B SER   A 1 125 ? -6.701  5.801   -0.014  0.000 33.325 0 237 SER   A HG   1 c 
ATOM   2096 N  N    . GLY   A 1 126 ? -6.164  8.564   3.778   1.000 22.728 0 238 GLY   A N    1 ? 
ATOM   2097 C  CA   . GLY   A 1 126 ? -6.762  9.614   4.582   1.000 24.233 0 238 GLY   A CA   1 ? 
ATOM   2098 C  C    . GLY   A 1 126 ? -5.796  10.169  5.620   1.000 24.321 0 238 GLY   A C    1 ? 
ATOM   2099 O  O    . GLY   A 1 126 ? -4.572  10.038  5.492   1.000 23.258 0 238 GLY   A O    1 ? 
ATOM   2100 H  H    . GLY   A 1 126 ? -5.548  8.793   3.143   1.000 22.511 0 238 GLY   A H    1 c 
ATOM   2101 H  HA2  . GLY   A 1 126 ? -7.047  10.346  3.989   1.000 24.266 0 238 GLY   A HA2  1 c 
ATOM   2102 H  HA3  . GLY   A 1 126 ? -7.566  9.267   5.033   1.000 24.119 0 238 GLY   A HA3  1 c 
ATOM   2103 N  N    . ASP   A 1 127 ? -6.388  10.799  6.647   1.000 23.192 0 239 ASP   A N    1 ? 
ATOM   2104 C  CA   . ASP   A 1 127 ? -5.670  11.721  7.504   1.000 25.567 0 239 ASP   A CA   1 ? 
ATOM   2105 C  C    . ASP   A 1 127 ? -5.051  10.971  8.670   1.000 25.284 0 239 ASP   A C    1 ? 
ATOM   2106 O  O    . ASP   A 1 127 ? -5.427  11.201  9.813   1.000 25.998 0 239 ASP   A O    1 ? 
ATOM   2107 C  CB   . ASP   A 1 127 ? -6.554  12.911  7.893   1.000 27.008 0 239 ASP   A CB   1 ? 
ATOM   2108 C  CG   . ASP   A 1 127 ? -7.102  13.664  6.686   1.000 30.698 0 239 ASP   A CG   1 ? 
ATOM   2109 O  OD1  . ASP   A 1 127 ? -6.374  13.700  5.680   1.000 32.910 0 239 ASP   A OD1  1 ? 
ATOM   2110 O  OD2  . ASP   A 1 127 ? -8.246  14.188  6.742   1.000 29.985 0 239 ASP   A OD2  1 ? 
ATOM   2111 H  H    . ASP   A 1 127 ? -7.272  10.642  6.816   1.000 23.737 0 239 ASP   A H    1 c 
ATOM   2112 H  HA   . ASP   A 1 127 ? -4.928  12.100  6.981   1.000 25.429 0 239 ASP   A HA   1 c 
ATOM   2113 H  HB2  . ASP   A 1 127 ? -7.309  12.587  8.427   1.000 27.355 0 239 ASP   A HB2  1 c 
ATOM   2114 H  HB3  . ASP   A 1 127 ? -6.035  13.532  8.446   1.000 27.299 0 239 ASP   A HB3  1 c 
ATOM   2115 N  N    . ILE   A 1 128 ? -4.108  10.080  8.359   1.000 25.209 0 240 ILE   A N    1 ? 
ATOM   2116 C  CA   . ILE   A 1 128 ? -3.455  9.255   9.365   1.000 25.923 0 240 ILE   A CA   1 ? 
ATOM   2117 C  C    . ILE   A 1 128 ? -1.960  9.147   9.087   1.000 23.170 0 240 ILE   A C    1 ? 
ATOM   2118 O  O    . ILE   A 1 128 ? -1.513  9.300   7.943   1.000 25.183 0 240 ILE   A O    1 ? 
ATOM   2119 C  CB   . ILE   A 1 128 ? -4.063  7.843   9.401   1.000 25.046 0 240 ILE   A CB   1 ? 
ATOM   2120 C  CG1  . ILE   A 1 128 ? -3.797  7.084   8.137   1.000 24.569 0 240 ILE   A CG1  1 ? 
ATOM   2121 C  CG2  . ILE   A 1 128 ? -5.555  7.865   9.742   1.000 25.147 0 240 ILE   A CG2  1 ? 
ATOM   2122 C  CD1  . ILE   A 1 128 ? -4.191  5.618   8.248   1.000 27.011 0 240 ILE   A CD1  1 ? 
ATOM   2123 H  H    . ILE   A 1 128 ? -3.857  9.985   7.485   1.000 25.178 0 240 ILE   A H    1 c 
ATOM   2124 H  HA   . ILE   A 1 128 ? -3.580  9.672   10.238  1.000 25.405 0 240 ILE   A HA   1 c 
ATOM   2125 H  HB   . ILE   A 1 128 ? -3.613  7.357   10.121  1.000 25.121 0 240 ILE   A HB   1 c 
ATOM   2126 H  HG12 . ILE   A 1 128 ? -4.298  7.498   7.405   1.000 25.017 0 240 ILE   A HG12 1 c 
ATOM   2127 H  HG13 . ILE   A 1 128 ? -2.844  7.139   7.922   1.000 24.957 0 240 ILE   A HG13 1 c 
ATOM   2128 H  HG21 . ILE   A 1 128 ? -5.891  6.957   9.815   1.000 25.083 0 240 ILE   A HG21 1 c 
ATOM   2129 H  HG22 . ILE   A 1 128 ? -6.040  8.332   9.041   1.000 25.069 0 240 ILE   A HG22 1 c 
ATOM   2130 H  HG23 . ILE   A 1 128 ? -5.689  8.325   10.587  1.000 25.194 0 240 ILE   A HG23 1 c 
ATOM   2131 H  HD11 . ILE   A 1 128 ? -3.722  5.210   9.000   1.000 26.549 0 240 ILE   A HD11 1 c 
ATOM   2132 H  HD12 . ILE   A 1 128 ? -3.945  5.155   7.425   1.000 26.469 0 240 ILE   A HD12 1 c 
ATOM   2133 H  HD13 . ILE   A 1 128 ? -5.154  5.537   8.385   1.000 26.526 0 240 ILE   A HD13 1 c 
ATOM   2134 N  N    . ASP   A 1 129 ? -1.227  8.874   10.175  1.000 24.484 0 241 ASP   A N    1 ? 
ATOM   2135 C  CA   . ASP   A 1 129 ? 0.128   8.344   10.155  1.000 27.473 0 241 ASP   A CA   1 ? 
ATOM   2136 C  C    . ASP   A 1 129 ? 0.031   6.839   10.329  1.000 25.386 0 241 ASP   A C    1 ? 
ATOM   2137 O  O    . ASP   A 1 129 ? -0.489  6.407   11.354  1.000 25.753 0 241 ASP   A O    1 ? 
ATOM   2138 C  CB   . ASP   A 1 129 ? 0.970   8.922   11.273  1.000 32.047 0 241 ASP   A CB   1 ? 
ATOM   2139 C  CG   . ASP   A 1 129 ? 1.131   10.420  11.126  1.000 39.549 0 241 ASP   A CG   1 ? 
ATOM   2140 O  OD1  . ASP   A 1 129 ? 1.368   10.831  9.972   1.000 44.337 0 241 ASP   A OD1  1 ? 
ATOM   2141 O  OD2  . ASP   A 1 129 ? 0.986   11.142  12.139  1.000 49.086 0 241 ASP   A OD2  1 ? 
ATOM   2142 H  H    . ASP   A 1 129 ? -1.608  9.034   10.990  1.000 24.543 0 241 ASP   A H    1 c 
ATOM   2143 H  HA   . ASP   A 1 129 ? 0.540   8.549   9.285   1.000 27.226 0 241 ASP   A HA   1 c 
ATOM   2144 H  HB2  . ASP   A 1 129 ? 0.546   8.731   12.136  1.000 32.078 0 241 ASP   A HB2  1 c 
ATOM   2145 H  HB3  . ASP   A 1 129 ? 1.856   8.504   11.265  1.000 32.100 0 241 ASP   A HB3  1 c 
ATOM   2146 N  N    . LEU   A 1 130 ? 0.415   6.078   9.298   1.000 24.057 0 242 LEU   A N    1 ? 
ATOM   2147 C  CA   . LEU   A 1 130 ? 0.217   4.627   9.335   1.000 24.496 0 242 LEU   A CA   1 ? 
ATOM   2148 C  C    . LEU   A 1 130 ? 1.425   3.965   10.002  1.000 24.224 0 242 LEU   A C    1 ? 
ATOM   2149 O  O    . LEU   A 1 130 ? 2.552   4.193   9.567   1.000 28.102 0 242 LEU   A O    1 ? 
ATOM   2150 C  CB   . LEU   A 1 130 ? -0.025  4.113   7.920   1.000 26.143 0 242 LEU   A CB   1 ? 
ATOM   2151 C  CG   . LEU   A 1 130 ? -0.237  2.599   7.766   1.000 26.035 0 242 LEU   A CG   1 ? 
ATOM   2152 C  CD1  . LEU   A 1 130 ? -1.513  2.151   8.471   1.000 24.108 0 242 LEU   A CD1  1 ? 
ATOM   2153 C  CD2  . LEU   A 1 130 ? -0.284  2.200   6.293   1.000 27.439 0 242 LEU   A CD2  1 ? 
ATOM   2154 H  H    . LEU   A 1 130 ? 0.803   6.459   8.563   1.000 24.192 0 242 LEU   A H    1 c 
ATOM   2155 H  HA   . LEU   A 1 130 ? -0.587  4.439   9.882   1.000 24.632 0 242 LEU   A HA   1 c 
ATOM   2156 H  HB2  . LEU   A 1 130 ? -0.817  4.575   7.559   1.000 25.782 0 242 LEU   A HB2  1 c 
ATOM   2157 H  HB3  . LEU   A 1 130 ? 0.745   4.375   7.364   1.000 25.899 0 242 LEU   A HB3  1 c 
ATOM   2158 H  HG   . LEU   A 1 130 ? 0.529   2.132   8.186   1.000 25.950 0 242 LEU   A HG   1 c 
ATOM   2159 H  HD11 . LEU   A 1 130 ? -1.447  2.347   9.420   1.000 24.364 0 242 LEU   A HD11 1 c 
ATOM   2160 H  HD12 . LEU   A 1 130 ? -1.633  1.194   8.346   1.000 24.361 0 242 LEU   A HD12 1 c 
ATOM   2161 H  HD13 . LEU   A 1 130 ? -2.275  2.623   8.095   1.000 24.456 0 242 LEU   A HD13 1 c 
ATOM   2162 H  HD21 . LEU   A 1 130 ? 0.552   2.445   5.863   1.000 27.193 0 242 LEU   A HD21 1 c 
ATOM   2163 H  HD22 . LEU   A 1 130 ? -1.019  2.660   5.855   1.000 27.158 0 242 LEU   A HD22 1 c 
ATOM   2164 H  HD23 . LEU   A 1 130 ? -0.414  1.239   6.221   1.000 27.195 0 242 LEU   A HD23 1 c 
ATOM   2165 N  N    . THR   A 1 131 ? 1.174   3.178   11.070  1.000 23.220 0 243 THR   A N    1 ? 
ATOM   2166 C  CA   . THR   A 1 131 ? 2.221   2.491   11.814  1.000 23.866 0 243 THR   A CA   1 ? 
ATOM   2167 C  C    . THR   A 1 131 ? 2.438   1.106   11.209  1.000 23.688 0 243 THR   A C    1 ? 
ATOM   2168 O  O    . THR   A 1 131 ? 3.573   0.731   10.963  1.000 26.249 0 243 THR   A O    1 ? 
ATOM   2169 C  CB   . THR   A 1 131 ? 1.907   2.444   13.311  1.000 27.456 0 243 THR   A CB   1 ? 
ATOM   2170 O  OG1  . THR   A 1 131 ? 1.856   3.811   13.711  1.000 29.382 0 243 THR   A OG1  1 ? 
ATOM   2171 C  CG2  . THR   A 1 131 ? 3.004   1.771   14.107  1.000 28.459 0 243 THR   A CG2  1 ? 
ATOM   2172 H  H    . THR   A 1 131 ? 0.308   3.071   11.342  1.000 23.340 0 243 THR   A H    1 c 
ATOM   2173 H  HA   . THR   A 1 131 ? 3.053   2.999   11.700  1.000 24.231 0 243 THR   A HA   1 c 
ATOM   2174 H  HB   . THR   A 1 131 ? 1.039   2.006   13.477  1.000 27.288 0 243 THR   A HB   1 c 
ATOM   2175 H  HG1  . THR   A 1 131 ? 2.614   4.196   13.558  0.000 29.851 0 243 THR   A HG1  1 c 
ATOM   2176 H  HG21 . THR   A 1 131 ? 2.784   1.802   15.053  1.000 28.266 0 243 THR   A HG21 1 c 
ATOM   2177 H  HG22 . THR   A 1 131 ? 3.846   2.233   13.956  1.000 28.238 0 243 THR   A HG22 1 c 
ATOM   2178 H  HG23 . THR   A 1 131 ? 3.090   0.844   13.827  1.000 28.289 0 243 THR   A HG23 1 c 
ATOM   2179 N  N    . SER   A 1 132 ? 1.362   0.346   11.004  1.000 24.314 0 244 SER   A N    1 ? 
ATOM   2180 C  CA   . SER   A 1 132 ? 1.507   -1.015  10.487  1.000 24.100 0 244 SER   A CA   1 ? 
ATOM   2181 C  C    . SER   A 1 132 ? 0.158   -1.497  9.984   1.000 21.742 0 244 SER   A C    1 ? 
ATOM   2182 O  O    . SER   A 1 132 ? -0.882  -0.986  10.409  1.000 24.231 0 244 SER   A O    1 ? 
ATOM   2183 C  CB   . SER   A 1 132 ? 2.080   -1.967  11.516  1.000 29.620 0 244 SER   A CB   1 ? 
ATOM   2184 O  OG   . SER   A 1 132 ? 1.151   -2.187  12.562  1.000 32.634 0 244 SER   A OG   1 ? 
ATOM   2185 H  H    . SER   A 1 132 ? 0.527   0.669   11.190  1.000 24.217 0 244 SER   A H    1 c 
ATOM   2186 H  HA   . SER   A 1 132 ? 2.129   -0.984  9.716   1.000 24.457 0 244 SER   A HA   1 c 
ATOM   2187 H  HB2  . SER   A 1 132 ? 2.293   -2.817  11.087  1.000 29.100 0 244 SER   A HB2  1 c 
ATOM   2188 H  HB3  . SER   A 1 132 ? 2.903   -1.595  11.884  1.000 28.603 0 244 SER   A HB3  1 c 
ATOM   2189 H  HG   . SER   A 1 132 ? 1.501   -2.716  13.127  0.000 33.962 0 244 SER   A HG   1 c 
ATOM   2190 N  N    . ALA   A 1 133 ? 0.204   -2.452  9.050   1.000 25.622 0 245 ALA   A N    1 ? 
ATOM   2191 C  CA   . ALA   A 1 133 ? -0.979  -3.121  8.525   1.000 23.476 0 245 ALA   A CA   1 ? 
ATOM   2192 C  C    . ALA   A 1 133 ? -0.601  -4.576  8.304   1.000 24.133 0 245 ALA   A C    1 ? 
ATOM   2193 O  O    . ALA   A 1 133 ? 0.321   -4.815  7.561   1.000 26.057 0 245 ALA   A O    1 ? 
ATOM   2194 C  CB   . ALA   A 1 133 ? -1.424  -2.505  7.230   1.000 26.740 0 245 ALA   A CB   1 ? 
ATOM   2195 H  H    . ALA   A 1 133 ? 1.021   -2.701  8.724   1.000 24.171 0 245 ALA   A H    1 c 
ATOM   2196 H  HA   . ALA   A 1 133 ? -1.710  -3.068  9.197   1.000 24.260 0 245 ALA   A HA   1 c 
ATOM   2197 H  HB1  . ALA   A 1 133 ? -1.646  -1.570  7.372   1.000 26.153 0 245 ALA   A HB1  1 c 
ATOM   2198 H  HB2  . ALA   A 1 133 ? -0.708  -2.568  6.575   1.000 26.143 0 245 ALA   A HB2  1 c 
ATOM   2199 H  HB3  . ALA   A 1 133 ? -2.206  -2.975  6.896   1.000 26.074 0 245 ALA   A HB3  1 c 
ATOM   2200 N  N    . SER   A 1 134 ? -1.294  -5.509  8.954   1.000 25.790 0 246 SER   A N    1 ? 
ATOM   2201 C  CA   . SER   A 1 134 ? -0.947  -6.921  8.833   1.000 24.079 0 246 SER   A CA   1 ? 
ATOM   2202 C  C    . SER   A 1 134 ? -2.200  -7.736  9.096   1.000 24.272 0 246 SER   A C    1 ? 
ATOM   2203 O  O    . SER   A 1 134 ? -3.251  -7.185  9.446   1.000 24.097 0 246 SER   A O    1 ? 
ATOM   2204 C  CB   . SER   A 1 134 ? 0.134   -7.294  9.789   1.000 27.739 0 246 SER   A CB   1 ? 
ATOM   2205 O  OG   . SER   A 1 134 ? -0.309  -7.034  11.120  1.000 32.818 0 246 SER   A OG   1 ? 
ATOM   2206 H  H    . SER   A 1 134 ? -2.000  -5.267  9.483   1.000 25.212 0 246 SER   A H    1 c 
ATOM   2207 H  HA   . SER   A 1 134 ? -0.638  -7.099  7.909   1.000 24.829 0 246 SER   A HA   1 c 
ATOM   2208 H  HB2  . SER   A 1 134 ? 0.351   -8.240  9.691   1.000 27.928 0 246 SER   A HB2  1 c 
ATOM   2209 H  HB3  . SER   A 1 134 ? 0.934   -6.769  9.599   1.000 27.488 0 246 SER   A HB3  1 c 
ATOM   2210 H  HG   . SER   A 1 134 ? 0.334   -7.232  11.660  0.000 34.944 0 246 SER   A HG   1 c 
ATOM   2211 N  N    . TYR   A 1 135 ? -2.060  -9.055  8.967   1.000 25.582 0 247 TYR   A N    1 ? 
ATOM   2212 C  CA   . TYR   A 1 135 ? -3.172  -9.940  9.242   1.000 25.550 0 247 TYR   A CA   1 ? 
ATOM   2213 C  C    . TYR   A 1 135 ? -2.634  -11.244 9.802   1.000 26.338 0 247 TYR   A C    1 ? 
ATOM   2214 O  O    . TYR   A 1 135 ? -1.442  -11.520 9.728   1.000 30.032 0 247 TYR   A O    1 ? 
ATOM   2215 C  CB   . TYR   A 1 135 ? -4.011  -10.119 7.978   1.000 26.922 0 247 TYR   A CB   1 ? 
ATOM   2216 C  CG   . TYR   A 1 135 ? -3.240  -10.557 6.742   1.000 26.498 0 247 TYR   A CG   1 ? 
ATOM   2217 C  CD1  . TYR   A 1 135 ? -2.948  -11.896 6.548   1.000 29.155 0 247 TYR   A CD1  1 ? 
ATOM   2218 C  CD2  . TYR   A 1 135 ? -2.729  -9.655  5.823   1.000 25.824 0 247 TYR   A CD2  1 ? 
ATOM   2219 C  CE1  . TYR   A 1 135 ? -2.251  -12.319 5.430   1.000 32.906 0 247 TYR   A CE1  1 ? 
ATOM   2220 C  CE2  . TYR   A 1 135 ? -2.029  -10.059 4.703   1.000 28.874 0 247 TYR   A CE2  1 ? 
ATOM   2221 C  CZ   . TYR   A 1 135 ? -1.768  -11.402 4.514   1.000 31.389 0 247 TYR   A CZ   1 ? 
ATOM   2222 O  OH   . TYR   A 1 135 ? -1.063  -11.827 3.424   1.000 40.457 0 247 TYR   A OH   1 ? 
ATOM   2223 H  H    . TYR   A 1 135 ? -1.264  -9.410  8.693   1.000 25.249 0 247 TYR   A H    1 c 
ATOM   2224 H  HA   . TYR   A 1 135 ? -3.742  -9.516  9.934   1.000 25.690 0 247 TYR   A HA   1 c 
ATOM   2225 H  HB2  . TYR   A 1 135 ? -4.711  -10.784 8.162   1.000 26.679 0 247 TYR   A HB2  1 c 
ATOM   2226 H  HB3  . TYR   A 1 135 ? -4.458  -9.266  7.781   1.000 26.708 0 247 TYR   A HB3  1 c 
ATOM   2227 H  HD1  . TYR   A 1 135 ? -3.269  -12.536 7.164   1.000 29.432 0 247 TYR   A HD1  1 c 
ATOM   2228 H  HD2  . TYR   A 1 135 ? -2.901  -8.735  5.945   1.000 26.684 0 247 TYR   A HD2  1 c 
ATOM   2229 H  HE1  . TYR   A 1 135 ? -2.072  -13.235 5.309   1.000 32.478 0 247 TYR   A HE1  1 c 
ATOM   2230 H  HE2  . TYR   A 1 135 ? -1.708  -9.424  4.087   1.000 28.745 0 247 TYR   A HE2  1 c 
ATOM   2231 H  HH   . TYR   A 1 135 ? -1.581  -11.970 2.767   0.000 44.753 0 247 TYR   A HH   1 c 
ATOM   2232 N  N    . THR   A 1 136 ? -3.561  -12.000 10.392  1.000 26.903 0 248 THR   A N    1 ? 
ATOM   2233 C  CA   . THR   A 1 136 ? -3.293  -13.313 10.927  1.000 26.312 0 248 THR   A CA   1 ? 
ATOM   2234 C  C    . THR   A 1 136 ? -4.610  -14.073 10.886  1.000 24.941 0 248 THR   A C    1 ? 
ATOM   2235 O  O    . THR   A 1 136 ? -5.665  -13.526 10.574  1.000 29.220 0 248 THR   A O    1 ? 
ATOM   2236 C  CB   . THR   A 1 136 ? -2.718  -13.194 12.340  1.000 33.533 0 248 THR   A CB   1 ? 
ATOM   2237 O  OG1  . THR   A 1 136 ? -2.309  -14.514 12.690  1.000 42.820 0 248 THR   A OG1  1 ? 
ATOM   2238 C  CG2  . THR   A 1 136 ? -3.712  -12.678 13.364  1.000 34.469 0 248 THR   A CG2  1 ? 
ATOM   2239 H  H    . THR   A 1 136 ? -4.410  -11.668 10.462  1.000 27.153 0 248 THR   A H    1 c 
ATOM   2240 H  HA   . THR   A 1 136 ? -2.639  -13.765 10.351  1.000 27.052 0 248 THR   A HA   1 c 
ATOM   2241 H  HB   . THR   A 1 136 ? -1.930  -12.601 12.328  1.000 33.025 0 248 THR   A HB   1 c 
ATOM   2242 H  HG1  . THR   A 1 136 ? -2.980  -15.051 12.694  0.000 49.380 0 248 THR   A HG1  1 c 
ATOM   2243 H  HG21 . THR   A 1 136 ? -3.274  -12.598 14.229  1.000 34.229 0 248 THR   A HG21 1 c 
ATOM   2244 H  HG22 . THR   A 1 136 ? -4.458  -13.296 13.438  1.000 34.337 0 248 THR   A HG22 1 c 
ATOM   2245 H  HG23 . THR   A 1 136 ? -4.040  -11.807 13.087  1.000 34.380 0 248 THR   A HG23 1 c 
ATOM   2246 N  N    . MET   A 1 137 ? -4.509  -15.376 11.094  1.000 27.518 0 249 MET   A N    1 ? 
ATOM   2247 C  CA   . MET   A 1 137 ? -5.681  -16.226 11.240  1.000 30.344 0 249 MET   A CA   1 ? 
ATOM   2248 C  C    . MET   A 1 137 ? -5.897  -16.513 12.726  1.000 29.021 0 249 MET   A C    1 ? 
ATOM   2249 O  O    . MET   A 1 137 ? -4.962  -16.874 13.425  1.000 36.015 0 249 MET   A O    1 ? 
ATOM   2250 C  CB   . MET   A 1 137 ? -5.507  -17.532 10.456  1.000 30.482 0 249 MET   A CB   1 ? 
ATOM   2251 C  CG   . MET   A 1 137 ? -5.243  -17.345 8.979   1.000 31.227 0 249 MET   A CG   1 ? 
ATOM   2252 S  SD   . MET   A 1 137 ? -6.635  -16.592 8.113   1.000 35.213 0 249 MET   A SD   1 ? 
ATOM   2253 C  CE   . MET   A 1 137 ? -5.932  -16.234 6.499   1.000 31.562 0 249 MET   A CE   1 ? 
ATOM   2254 H  H    . MET   A 1 137 ? -3.680  -15.757 11.147  1.000 27.330 0 249 MET   A H    1 c 
ATOM   2255 H  HA   . MET   A 1 137 ? -6.469  -15.739 10.893  1.000 29.698 0 249 MET   A HA   1 c 
ATOM   2256 H  HB2  . MET   A 1 137 ? -4.761  -18.034 10.849  1.000 30.598 0 249 MET   A HB2  1 c 
ATOM   2257 H  HB3  . MET   A 1 137 ? -6.318  -18.073 10.566  1.000 30.768 0 249 MET   A HB3  1 c 
ATOM   2258 H  HG2  . MET   A 1 137 ? -4.455  -16.778 8.861   1.000 31.345 0 249 MET   A HG2  1 c 
ATOM   2259 H  HG3  . MET   A 1 137 ? -5.051  -18.213 8.572   1.000 31.560 0 249 MET   A HG3  1 c 
ATOM   2260 H  HE1  . MET   A 1 137 ? -6.609  -15.817 5.935   1.000 31.976 0 249 MET   A HE1  1 c 
ATOM   2261 H  HE2  . MET   A 1 137 ? -5.174  -15.628 6.601   1.000 31.997 0 249 MET   A HE2  1 c 
ATOM   2262 H  HE3  . MET   A 1 137 ? -5.630  -17.064 6.085   1.000 32.180 0 249 MET   A HE3  1 c 
ATOM   2263 N  N    . ILE   A 1 138 ? -7.131  -16.332 13.201  1.000 29.112 0 250 ILE   A N    1 ? 
ATOM   2264 C  CA   . ILE   A 1 138 ? -7.454  -16.567 14.603  1.000 35.572 0 250 ILE   A CA   1 ? 
ATOM   2265 C  C    . ILE   A 1 138 ? -7.854  -18.037 14.783  1.000 39.260 0 250 ILE   A C    1 ? 
ATOM   2266 O  O    . ILE   A 1 138 ? -7.754  -18.498 15.935  1.000 42.035 0 250 ILE   A O    1 ? 
ATOM   2267 C  CB   . ILE   A 1 138 ? -8.572  -15.627 15.087  1.000 36.466 0 250 ILE   A CB   1 ? 
ATOM   2268 C  CG1  . ILE   A 1 138 ? -9.909  -15.927 14.394  1.000 38.887 0 250 ILE   A CG1  1 ? 
ATOM   2269 C  CG2  . ILE   A 1 138 ? -8.146  -14.169 14.896  1.000 37.198 0 250 ILE   A CG2  1 ? 
ATOM   2270 C  CD1  . ILE   A 1 138 ? -11.130 -15.430 15.140  1.000 41.993 0 250 ILE   A CD1  1 ? 
ATOM   2271 O  OXT  . ILE   A 1 138 ? -8.283  -18.663 13.780  1.000 39.492 0 250 ILE   A OXT  1 ? 
ATOM   2272 H  H    . ILE   A 1 138 ? -7.792  -16.053 12.635  1.000 30.195 0 250 ILE   A H    1 c 
ATOM   2273 H  HA   . ILE   A 1 138 ? -6.656  -16.394 15.140  1.000 34.777 0 250 ILE   A HA   1 c 
ATOM   2274 H  HB   . ILE   A 1 138 ? -8.694  -15.781 16.045  1.000 36.953 0 250 ILE   A HB   1 c 
ATOM   2275 H  HG12 . ILE   A 1 138 ? -9.900  -15.515 13.507  1.000 38.478 0 250 ILE   A HG12 1 c 
ATOM   2276 H  HG13 . ILE   A 1 138 ? -9.994  -16.893 14.272  1.000 38.964 0 250 ILE   A HG13 1 c 
ATOM   2277 H  HG21 . ILE   A 1 138 ? -8.852  -13.580 15.212  1.000 37.224 0 250 ILE   A HG21 1 c 
ATOM   2278 H  HG22 . ILE   A 1 138 ? -7.981  -13.996 13.954  1.000 36.965 0 250 ILE   A HG22 1 c 
ATOM   2279 H  HG23 . ILE   A 1 138 ? -7.334  -13.998 15.402  1.000 37.258 0 250 ILE   A HG23 1 c 
ATOM   2280 H  HD11 . ILE   A 1 138 ? -11.171 -15.851 16.019  1.000 41.303 0 250 ILE   A HD11 1 c 
ATOM   2281 H  HD12 . ILE   A 1 138 ? -11.934 -15.657 14.635  1.000 41.333 0 250 ILE   A HD12 1 c 
ATOM   2282 H  HD13 . ILE   A 1 138 ? -11.078 -14.462 15.246  1.000 41.493 0 250 ILE   A HD13 1 c 
HETATM 2283 N  N1   . A1H2S B 2 .   ? -22.703 8.443   -3.251  1.000 29.335 0 301 A1H2S A N1   1 ? 
HETATM 2284 N  N3   . A1H2S B 2 .   ? -21.191 9.112   -4.512  1.000 35.212 0 301 A1H2S A N3   1 ? 
HETATM 2285 C  C4   . A1H2S B 2 .   ? -19.163 9.157   -3.050  1.000 25.025 0 301 A1H2S A C4   1 ? 
HETATM 2286 C  C5   . A1H2S B 2 .   ? -20.617 8.919   -3.302  1.000 29.002 0 301 A1H2S A C5   1 ? 
HETATM 2287 C  C6   . A1H2S B 2 .   ? -21.625 8.455   -2.481  1.000 30.200 0 301 A1H2S A C6   1 ? 
HETATM 2288 C  C7   . A1H2S B 2 .   ? -24.097 8.093   -3.081  1.000 30.166 0 301 A1H2S A C7   1 ? 
HETATM 2289 C  C8   . A1H2S B 2 .   ? -24.699 8.788   -1.882  1.000 32.009 0 301 A1H2S A C8   1 ? 
HETATM 2290 C  C10  . A1H2S B 2 .   ? -24.267 6.656   -2.859  1.000 29.432 0 301 A1H2S A C10  1 ? 
HETATM 2291 C  C13  . A1H2S B 2 .   ? -17.212 7.262   -0.646  1.000 21.772 0 301 A1H2S A C13  1 ? 
HETATM 2292 C  C15  . A1H2S B 2 .   ? -13.129 8.765   -0.906  1.000 26.156 0 301 A1H2S A C15  1 ? 
HETATM 2293 C  C17  . A1H2S B 2 .   ? -10.747 9.299   -1.023  1.000 28.936 0 301 A1H2S A C17  1 ? 
HETATM 2294 C  C20  . A1H2S B 2 .   ? -10.489 9.190   1.791   1.000 26.086 0 301 A1H2S A C20  1 ? 
HETATM 2295 C  C21  . A1H2S B 2 .   ? -11.718 8.980   1.171   1.000 24.341 0 301 A1H2S A C21  1 ? 
HETATM 2296 C  C22  . A1H2S B 2 .   ? -14.413 8.844   -0.428  1.000 25.469 0 301 A1H2S A C22  1 ? 
HETATM 2297 C  C1   . A1H2S B 2 .   ? -17.102 11.949  -1.966  1.000 29.911 0 301 A1H2S A C1   1 ? 
HETATM 2298 O  O1   . A1H2S B 2 .   ? -16.826 10.579  -2.299  1.000 27.758 0 301 A1H2S A O1   1 ? 
HETATM 2299 C  C2   . A1H2S B 2 .   ? -17.345 9.611   -1.381  1.000 25.233 0 301 A1H2S A C2   1 ? 
HETATM 2300 C  C3   . A1H2S B 2 .   ? -18.848 9.434   -1.574  1.000 25.075 0 301 A1H2S A C3   1 ? 
HETATM 2301 O  O2   . A1H2S B 2 .   ? -25.713 7.916   -1.427  1.000 33.413 0 301 A1H2S A O2   1 ? 
HETATM 2302 C  C9   . A1H2S B 2 .   ? -25.558 6.610   -2.073  1.000 29.955 0 301 A1H2S A C9   1 ? 
HETATM 2303 F  F1   . A1H2S B 2 .   ? -23.362 6.173   -2.002  1.000 29.297 0 301 A1H2S A F1   1 ? 
HETATM 2304 N  N2   . A1H2S B 2 .   ? -22.468 8.822   -4.450  1.000 35.246 0 301 A1H2S A N2   1 ? 
HETATM 2305 O  O3   . A1H2S B 2 .   ? -19.367 8.409   -0.669  1.000 25.611 0 301 A1H2S A O3   1 ? 
HETATM 2306 C  C11  . A1H2S B 2 .   ? -18.720 7.143   -0.854  1.000 24.248 0 301 A1H2S A C11  1 ? 
HETATM 2307 C  C12  . A1H2S B 2 .   ? -19.347 6.079   0.067   1.000 23.010 0 301 A1H2S A C12  1 ? 
HETATM 2308 O  O4   . A1H2S B 2 .   ? -20.743 5.956   -0.194  1.000 25.184 0 301 A1H2S A O4   1 ? 
HETATM 2309 O  O5   . A1H2S B 2 .   ? -16.947 7.599   0.711   1.000 22.215 0 301 A1H2S A O5   1 ? 
HETATM 2310 C  C14  . A1H2S B 2 .   ? -16.612 8.332   -1.607  1.000 24.094 0 301 A1H2S A C14  1 ? 
HETATM 2311 N  N4   . A1H2S B 2 .   ? -15.186 8.447   -1.406  1.000 23.511 0 301 A1H2S A N4   1 ? 
HETATM 2312 N  N5   . A1H2S B 2 .   ? -14.475 8.181   -2.469  1.000 27.512 0 301 A1H2S A N5   1 ? 
HETATM 2313 N  N6   . A1H2S B 2 .   ? -13.214 8.374   -2.176  1.000 28.171 0 301 A1H2S A N6   1 ? 
HETATM 2314 C  C16  . A1H2S B 2 .   ? -11.840 9.031   -0.216  1.000 26.013 0 301 A1H2S A C16  1 ? 
HETATM 2315 C  C18  . A1H2S B 2 .   ? -9.529  9.548   -0.425  1.000 33.259 0 301 A1H2S A C18  1 ? 
HETATM 2316 C  C19  . A1H2S B 2 .   ? -9.392  9.482   0.977   1.000 33.666 0 301 A1H2S A C19  1 ? 
HETATM 2317 CL CL1  . A1H2S B 2 .   ? -7.775  9.808   1.699   1.000 63.337 0 301 A1H2S A CL1  1 ? 
HETATM 2318 F  F2   . A1H2S B 2 .   ? -10.503 9.099   3.202   1.000 29.567 0 301 A1H2S A F2   1 ? 
HETATM 2319 F  F3   . A1H2S B 2 .   ? -12.822 8.637   1.957   1.000 27.714 0 301 A1H2S A F3   1 ? 
HETATM 2320 H  H7   . A1H2S B 2 .   ? -18.841 10.012  -3.649  1.000 25.095 0 301 A1H2S A H7   1 c 
HETATM 2321 H  H6   . A1H2S B 2 .   ? -18.601 8.288   -3.390  1.000 25.520 0 301 A1H2S A H6   1 c 
HETATM 2322 H  H8   . A1H2S B 2 .   ? -21.562 8.186   -1.435  1.000 30.103 0 301 A1H2S A H8   1 c 
HETATM 2323 H  H9   . A1H2S B 2 .   ? -24.669 8.378   -3.977  1.000 30.182 0 301 A1H2S A H9   1 c 
HETATM 2324 H  H11  . A1H2S B 2 .   ? -25.122 9.753   -2.166  1.000 32.478 0 301 A1H2S A H11  1 c 
HETATM 2325 H  H10  . A1H2S B 2 .   ? -23.949 8.941   -1.103  1.000 31.828 0 301 A1H2S A H10  1 c 
HETATM 2326 H  H14  . A1H2S B 2 .   ? -24.431 6.116   -3.796  1.000 29.464 0 301 A1H2S A H14  1 c 
HETATM 2327 H  H19  . A1H2S B 2 .   ? -16.753 6.292   -0.878  1.000 21.890 0 301 A1H2S A H19  1 c 
HETATM 2328 H  H22  . A1H2S B 2 .   ? -10.852 9.355   -2.100  1.000 28.917 0 301 A1H2S A H22  1 c 
HETATM 2329 H  H24  . A1H2S B 2 .   ? -14.721 9.119   0.573   1.000 25.142 0 301 A1H2S A H24  1 c 
HETATM 2330 H  H2   . A1H2S B 2 .   ? -16.635 12.581  -2.675  1.000 29.627 0 301 A1H2S A H2   1 c 
HETATM 2331 H  H3   . A1H2S B 2 .   ? -16.721 12.161  -1.001  1.000 29.370 0 301 A1H2S A H3   1 c 
HETATM 2332 H  H1   . A1H2S B 2 .   ? -18.145 12.119  -1.978  1.000 29.438 0 301 A1H2S A H1   1 c 
HETATM 2333 H  H4   . A1H2S B 2 .   ? -17.160 9.944   -0.350  1.000 25.503 0 301 A1H2S A H4   1 c 
HETATM 2334 H  H5   . A1H2S B 2 .   ? -19.334 10.382  -1.304  1.000 25.309 0 301 A1H2S A H5   1 c 
HETATM 2335 H  H13  . A1H2S B 2 .   ? -25.519 5.819   -1.321  1.000 30.219 0 301 A1H2S A H13  1 c 
HETATM 2336 H  H12  . A1H2S B 2 .   ? -26.401 6.418   -2.741  1.000 30.145 0 301 A1H2S A H12  1 c 
HETATM 2337 H  H15  . A1H2S B 2 .   ? -18.887 6.811   -1.887  1.000 23.743 0 301 A1H2S A H15  1 c 
HETATM 2338 H  H16  . A1H2S B 2 .   ? -19.195 6.361   1.111   1.000 23.627 0 301 A1H2S A H16  1 c 
HETATM 2339 H  H17  . A1H2S B 2 .   ? -18.858 5.117   -0.100  1.000 23.345 0 301 A1H2S A H17  1 c 
HETATM 2340 H  H18  . A1H2S B 2 .   ? -21.180 6.813   -0.032  0.000 25.553 0 301 A1H2S A H18  1 c 
HETATM 2341 H  H20  . A1H2S B 2 .   ? -16.436 8.434   0.733   0.000 22.232 0 301 A1H2S A H20  1 c 
HETATM 2342 H  H21  . A1H2S B 2 .   ? -16.827 7.969   -2.606  1.000 23.843 0 301 A1H2S A H21  1 c 
HETATM 2343 H  H23  . A1H2S B 2 .   ? -8.668  9.780   -1.039  1.000 32.505 0 301 A1H2S A H23  1 c 
HETATM 2344 O  O    . HOH   C 3 .   ? -8.463  3.617   0.927   1.000 28.335 0 401 HOH   A O    1 ? 
HETATM 2345 O  O    . HOH   C 3 .   ? -20.930 10.746  16.063  1.000 36.717 0 402 HOH   A O    1 ? 
HETATM 2346 O  O    . HOH   C 3 .   ? -24.746 -14.494 9.303   1.000 41.815 0 403 HOH   A O    1 ? 
HETATM 2347 O  O    . HOH   C 3 .   ? -18.656 -5.562  -11.009 1.000 37.943 0 404 HOH   A O    1 ? 
HETATM 2348 O  O    . HOH   C 3 .   ? -23.607 13.972  8.824   1.000 41.233 0 405 HOH   A O    1 ? 
HETATM 2349 O  O    . HOH   C 3 .   ? -3.071  -8.644  -4.400  1.000 31.339 0 406 HOH   A O    1 ? 
HETATM 2350 O  O    . HOH   C 3 .   ? -22.685 -1.668  8.508   1.000 34.246 0 407 HOH   A O    1 ? 
HETATM 2351 O  O    . HOH   C 3 .   ? -13.583 14.611  21.310  1.000 29.768 0 408 HOH   A O    1 ? 
HETATM 2352 O  O    . HOH   C 3 .   ? -10.093 -6.811  20.481  1.000 40.069 0 409 HOH   A O    1 ? 
HETATM 2353 O  O    . HOH   C 3 .   ? -7.240  -0.903  22.551  1.000 44.802 0 410 HOH   A O    1 ? 
HETATM 2354 O  O    . HOH   C 3 .   ? -21.870 10.338  0.901   1.000 29.612 0 411 HOH   A O    1 ? 
HETATM 2355 O  O    . HOH   C 3 .   ? -11.139 5.793   -0.613  1.000 46.261 0 412 HOH   A O    1 ? 
HETATM 2356 O  O    . HOH   C 3 .   ? -7.781  -17.977 -2.692  1.000 36.394 0 413 HOH   A O    1 ? 
HETATM 2357 O  O    . HOH   C 3 .   ? -19.089 -6.753  0.282   1.000 23.404 0 414 HOH   A O    1 ? 
HETATM 2358 O  O    . HOH   C 3 .   ? -11.821 -17.346 0.756   1.000 31.670 0 415 HOH   A O    1 ? 
HETATM 2359 O  O    . HOH   C 3 .   ? 0.911   8.128   18.268  1.000 40.689 0 416 HOH   A O    1 ? 
HETATM 2360 O  O    . HOH   C 3 .   ? -24.474 -4.931  6.847   1.000 26.791 0 417 HOH   A O    1 ? 
HETATM 2361 O  O    . HOH   C 3 .   ? -15.366 14.837  7.128   1.000 31.994 0 418 HOH   A O    1 ? 
HETATM 2362 O  O    . HOH   C 3 .   ? -11.196 14.584  17.851  1.000 43.655 0 419 HOH   A O    1 ? 
HETATM 2363 O  O    . HOH   C 3 .   ? -21.230 2.749   8.961   1.000 37.617 0 420 HOH   A O    1 ? 
HETATM 2364 O  O    . HOH   C 3 .   ? -15.510 -1.947  -11.521 1.000 30.234 0 421 HOH   A O    1 ? 
HETATM 2365 O  O    . HOH   C 3 .   ? -17.384 -7.461  -7.188  1.000 26.642 0 422 HOH   A O    1 ? 
HETATM 2366 O  O    . HOH   C 3 .   ? -4.131  -9.201  12.876  1.000 32.710 0 423 HOH   A O    1 ? 
HETATM 2367 O  O    . HOH   C 3 .   ? -12.721 3.925   -2.957  1.000 43.762 0 424 HOH   A O    1 ? 
HETATM 2368 O  O    . HOH   C 3 .   ? -22.978 -4.879  15.159  1.000 40.367 0 425 HOH   A O    1 ? 
HETATM 2369 O  O    . HOH   C 3 .   ? -23.937 -4.889  3.354   1.000 21.060 0 426 HOH   A O    1 ? 
HETATM 2370 O  O    . HOH   C 3 .   ? 5.897   4.529   3.009   1.000 34.979 0 427 HOH   A O    1 ? 
HETATM 2371 O  O    . HOH   C 3 .   ? -0.697  -4.266  12.188  1.000 29.697 0 428 HOH   A O    1 ? 
HETATM 2372 O  O    . HOH   C 3 .   ? -20.367 18.811  5.323   1.000 47.646 0 429 HOH   A O    1 ? 
HETATM 2373 O  O    . HOH   C 3 .   ? -16.374 -0.387  -8.830  1.000 26.144 0 430 HOH   A O    1 ? 
HETATM 2374 O  O    . HOH   C 3 .   ? -9.660  -3.115  17.797  1.000 23.524 0 431 HOH   A O    1 ? 
HETATM 2375 O  O    . HOH   C 3 .   ? -17.504 -8.863  0.810   1.000 22.032 0 432 HOH   A O    1 ? 
HETATM 2376 O  O    . HOH   C 3 .   ? -23.433 -3.121  12.661  1.000 34.948 0 433 HOH   A O    1 ? 
HETATM 2377 O  O    . HOH   C 3 .   ? -26.712 -9.751  -0.663  1.000 40.297 0 434 HOH   A O    1 ? 
HETATM 2378 O  O    . HOH   C 3 .   ? -7.658  12.840  3.231   1.000 45.359 0 435 HOH   A O    1 ? 
HETATM 2379 O  O    . HOH   C 3 .   ? -26.875 7.848   1.350   1.000 39.077 0 436 HOH   A O    1 ? 
HETATM 2380 O  O    . HOH   C 3 .   ? -10.233 8.290   23.096  1.000 35.061 0 437 HOH   A O    1 ? 
HETATM 2381 O  O    . HOH   C 3 .   ? -27.402 5.447   0.618   1.000 30.489 0 438 HOH   A O    1 ? 
HETATM 2382 O  O    . HOH   C 3 .   ? -9.865  7.425   20.487  1.000 31.585 0 439 HOH   A O    1 ? 
HETATM 2383 O  O    . HOH   C 3 .   ? -21.285 6.473   -7.745  1.000 32.552 0 440 HOH   A O    1 ? 
HETATM 2384 O  O    . HOH   C 3 .   ? -18.669 -17.864 3.903   1.000 34.470 0 441 HOH   A O    1 ? 
HETATM 2385 O  O    . HOH   C 3 .   ? -8.020  -6.776  -5.986  1.000 25.679 0 442 HOH   A O    1 ? 
HETATM 2386 O  O    . HOH   C 3 .   ? -11.696 4.578   21.487  1.000 37.741 0 443 HOH   A O    1 ? 
HETATM 2387 O  O    . HOH   C 3 .   ? 3.146   -3.021  8.331   1.000 35.983 0 444 HOH   A O    1 ? 
HETATM 2388 O  O    . HOH   C 3 .   ? -26.117 -1.346  -2.957  1.000 32.574 0 445 HOH   A O    1 ? 
HETATM 2389 O  O    . HOH   C 3 .   ? -16.691 -5.060  22.516  1.000 39.799 0 446 HOH   A O    1 ? 
HETATM 2390 O  O    . HOH   C 3 .   ? -19.202 -11.409 -6.271  1.000 34.508 0 447 HOH   A O    1 ? 
HETATM 2391 O  O    . HOH   C 3 .   ? 2.169   6.924   -1.010  1.000 49.843 0 448 HOH   A O    1 ? 
HETATM 2392 O  O    . HOH   C 3 .   ? -15.239 11.162  2.294   1.000 30.711 0 449 HOH   A O    1 ? 
HETATM 2393 O  O    . HOH   C 3 .   ? -4.097  9.523   1.350   1.000 27.275 0 450 HOH   A O    1 ? 
HETATM 2394 O  O    . HOH   C 3 .   ? -19.496 8.320   19.777  1.000 37.567 0 451 HOH   A O    1 ? 
HETATM 2395 O  O    . HOH   C 3 .   ? -23.924 -2.355  -3.521  1.000 20.455 0 452 HOH   A O    1 ? 
HETATM 2396 O  O    . HOH   C 3 .   ? -19.318 -13.160 -8.081  1.000 42.802 0 453 HOH   A O    1 ? 
HETATM 2397 O  O    . HOH   C 3 .   ? -9.151  -19.976 -2.005  1.000 39.903 0 454 HOH   A O    1 ? 
HETATM 2398 O  O    . HOH   C 3 .   ? -26.204 -6.205  2.504   1.000 35.210 0 455 HOH   A O    1 ? 
HETATM 2399 O  O    . HOH   C 3 .   ? -20.041 -8.546  -6.940  1.000 31.405 0 456 HOH   A O    1 ? 
HETATM 2400 O  O    . HOH   C 3 .   ? -24.778 11.974  10.640  1.000 35.786 0 457 HOH   A O    1 ? 
HETATM 2401 O  O    . HOH   C 3 .   ? -15.983 -18.575 2.969   1.000 33.994 0 458 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    . PRO   A 1   ? 0.47650856 0.65899688 0.44163984 0.06670450  -0.02173756 0.00509306  113 PRO   A N    
2    C  CA   . PRO   A 1   ? 0.41932559 0.60837680 0.39161628 0.02593597  -0.01619826 0.01257422  113 PRO   A CA   
3    C  C    . PRO   A 1   ? 0.35470769 0.49005860 0.39720216 0.00364316  0.00142196  0.02487180  113 PRO   A C    
4    O  O    . PRO   A 1   ? 0.36836833 0.51851547 0.36176771 0.02145884  0.01301225  0.01201659  113 PRO   A O    
5    C  CB   . PRO   A 1   ? 0.52931756 0.59288210 0.40930426 0.04242021  0.02334366  -0.00123109 113 PRO   A CB   
6    C  CG   . PRO   A 1   ? 0.57070786 0.63152087 0.45398271 0.04869978  -0.01453095 -0.00874591 113 PRO   A CG   
7    C  CD   . PRO   A 1   ? 0.52451342 0.66732043 0.46360826 0.07308964  -0.03348273 0.01589072  113 PRO   A CD   
8    H  H    . PRO   A 1   ? 0.47038051 0.64964128 0.43377465 0.05919126  -0.02217592 0.00886628  113 PRO   A H    
9    H  HA   . PRO   A 1   ? 0.42407444 0.58278567 0.40260431 0.02981510  -0.00736853 0.01183950  113 PRO   A HA   
10   H  HB2  . PRO   A 1   ? 0.51316965 0.60366243 0.41357300 0.04108742  0.01042796  0.00161072  113 PRO   A HB2  
11   H  HB3  . PRO   A 1   ? 0.51410753 0.60464078 0.41350371 0.04029290  0.01071127  0.00167650  113 PRO   A HB3  
12   H  HG2  . PRO   A 1   ? 0.55753541 0.63024753 0.44678637 0.05228159  -0.01041324 -0.00226064 113 PRO   A HG2  
13   H  HG3  . PRO   A 1   ? 0.56192344 0.63001299 0.44948214 0.05126318  -0.01458841 -0.00207234 113 PRO   A HG3  
14   H  HD2  . PRO   A 1   ? 0.52143389 0.65870553 0.45789769 0.06937964  -0.02866647 0.00991549  113 PRO   A HD2  
15   H  HD3  . PRO   A 1   ? 0.52410966 0.65994960 0.45899478 0.07041031  -0.02937427 0.00876189  113 PRO   A HD3  
16   N  N    . LEU   A 2   ? 0.40194511 0.30403233 0.36896256 0.03009038  -0.00772909 0.00361226  114 LEU   A N    
17   C  CA   . LEU   A 2   ? 0.35583872 0.27768987 0.38111627 -0.00613849 -0.02327530 0.00090172  114 LEU   A CA   
18   C  C    . LEU   A 2   ? 0.43574959 0.27482033 0.40808076 0.02002360  0.01810201  0.01489795  114 LEU   A C    
19   O  O    . LEU   A 2   ? 0.58114415 0.23270044 0.45712039 0.04840213  0.04620612  -0.03596644 114 LEU   A O    
20   C  CB   . LEU   A 2   ? 0.38087332 0.24651438 0.37755990 -0.03249509 0.01049508  -0.02743940 114 LEU   A CB   
21   C  CG   . LEU   A 2   ? 0.39921916 0.29624531 0.48977742 -0.05756460 -0.02698769 0.01312172  114 LEU   A CG   
22   C  CD1  . LEU   A 2   ? 0.43933362 0.19669236 0.52755785 -0.07436395 0.00347064  0.04940662  114 LEU   A CD1  
23   C  CD2  . LEU   A 2   ? 0.37123206 0.34069183 0.51037532 -0.06470715 -0.06219596 -0.01128059 114 LEU   A CD2  
24   H  H    . LEU   A 2   ? 0.38679683 0.33094284 0.37819347 0.01870724  -0.00968902 0.00734096  114 LEU   A H    
25   H  HA   . LEU   A 2   ? 0.37398720 0.27856892 0.38319334 -0.00092202 -0.00831167 -0.00056897 114 LEU   A HA   
26   H  HB2  . LEU   A 2   ? 0.37545395 0.26067525 0.39415583 -0.03034664 0.00145010  -0.01412497 114 LEU   A HB2  
27   H  HB3  . LEU   A 2   ? 0.37924302 0.26111764 0.38860115 -0.03050677 -0.00159937 -0.01384474 114 LEU   A HB3  
28   H  HG   . LEU   A 2   ? 0.39757815 0.27979457 0.48153114 -0.05501653 -0.01891237 0.00912277  114 LEU   A HG   
29   H  HD11 . LEU   A 2   ? 0.43098211 0.22121333 0.51904738 -0.06843603 -0.00475890 0.04121213  114 LEU   A HD11 
30   H  HD12 . LEU   A 2   ? 0.42815942 0.21288672 0.51827937 -0.06478366 -0.00465809 0.04323329  114 LEU   A HD12 
31   H  HD13 . LEU   A 2   ? 0.43001530 0.22098430 0.52324116 -0.06832483 -0.00254708 0.04112136  114 LEU   A HD13 
32   H  HD21 . LEU   A 2   ? 0.37680644 0.32810804 0.50299007 -0.06402637 -0.05288808 -0.00650869 114 LEU   A HD21 
33   H  HD22 . LEU   A 2   ? 0.37807727 0.32978955 0.50541544 -0.06347960 -0.05269882 -0.00617583 114 LEU   A HD22 
34   H  HD23 . LEU   A 2   ? 0.37869078 0.33402079 0.50461781 -0.06513938 -0.05243053 -0.00735989 114 LEU   A HD23 
35   N  N    . ILE   A 3   ? 0.39101416 0.26892507 0.39023215 0.01326035  -0.00105648 0.02790613  115 ILE   A N    
36   C  CA   . ILE   A 3   ? 0.38947669 0.24634561 0.46179423 0.02460529  -0.00781095 0.01502219  115 ILE   A CA   
37   C  C    . ILE   A 3   ? 0.39413154 0.20919272 0.39449212 0.01631407  -0.00569953 -0.03337191 115 ILE   A C    
38   O  O    . ILE   A 3   ? 0.41785085 0.24048311 0.39656216 0.03590665  -0.00492805 -0.04428589 115 ILE   A O    
39   C  CB   . ILE   A 3   ? 0.42828277 0.24319121 0.50743687 0.00106685  -0.00808119 0.01769907  115 ILE   A CB   
40   C  CG1  . ILE   A 3   ? 0.47156569 0.34039891 0.56196547 0.05740596  -0.04634345 0.00796254  115 ILE   A CG1  
41   C  CG2  . ILE   A 3   ? 0.46598941 0.24774110 0.54486036 -0.01207783 -0.02692524 0.05572740  115 ILE   A CG2  
42   C  CD1  . ILE   A 3   ? 0.54033643 0.27387276 0.62951833 0.12458545  -0.03857015 -0.01739880 115 ILE   A CD1  
43   H  H    . ILE   A 3   ? 0.39865330 0.26689065 0.40633994 0.01765719  0.00212170  0.02212100  115 ILE   A H    
44   H  HA   . ILE   A 3   ? 0.39885098 0.24464726 0.44944286 0.01737034  -0.00774058 0.01258764  115 ILE   A HA   
45   H  HB   . ILE   A 3   ? 0.43239751 0.25493902 0.50788450 0.01183467  -0.01385744 0.01995113  115 ILE   A HB   
46   H  HG12 . ILE   A 3   ? 0.47502145 0.32290092 0.55919009 0.05255035  -0.03390548 0.00549941  115 ILE   A HG12 
47   H  HG13 . ILE   A 3   ? 0.47481674 0.31606802 0.56220579 0.06098091  -0.03715877 0.00427430  115 ILE   A HG13 
48   H  HG21 . ILE   A 3   ? 0.45666555 0.24744567 0.53608811 -0.00791079 -0.02249704 0.04660948  115 ILE   A HG21 
49   H  HG22 . ILE   A 3   ? 0.45785335 0.24917072 0.54132611 -0.00819940 -0.02452037 0.04896863  115 ILE   A HG22 
50   H  HG23 . ILE   A 3   ? 0.45796621 0.24722728 0.53579259 -0.00744992 -0.02090602 0.04668099  115 ILE   A HG23 
51   H  HD11 . ILE   A 3   ? 0.52158052 0.27724901 0.61274564 0.11637152  -0.03909037 -0.00694538 115 ILE   A HD11 
52   H  HD12 . ILE   A 3   ? 0.53147751 0.28930545 0.61497551 0.11225627  -0.03554782 -0.00825637 115 ILE   A HD12 
53   H  HD13 . ILE   A 3   ? 0.52656865 0.29183829 0.61438942 0.11334011  -0.04088944 -0.01161458 115 ILE   A HD13 
54   N  N    . VAL   A 4   ? 0.37409830 0.19904844 0.40811145 -0.01024404 -0.00197273 -0.00676542 116 VAL   A N    
55   C  CA   . VAL   A 4   ? 0.38878602 0.23157081 0.37626138 0.03616150  -0.01839961 -0.00802920 116 VAL   A CA   
56   C  C    . VAL   A 4   ? 0.38415644 0.22971681 0.36794800 -0.01870953 0.00406042  -0.00510045 116 VAL   A C    
57   O  O    . VAL   A 4   ? 0.43165523 0.22257039 0.41679364 -0.03275557 0.01152179  0.04672589  116 VAL   A O    
58   C  CB   . VAL   A 4   ? 0.46362290 0.34265921 0.37153494 0.00973448  0.02112351  -0.00753321 116 VAL   A CB   
59   C  CG1  . VAL   A 4   ? 0.49641287 0.41055867 0.39372882 -0.00615610 0.01834169  0.00918735  116 VAL   A CG1  
60   C  CG2  . VAL   A 4   ? 0.50263512 0.35532415 0.36414161 0.06047431  0.05190069  -0.02094428 116 VAL   A CG2  
61   H  HA   . VAL   A 4   ? 0.39470914 0.23262839 0.38107705 0.01628552  -0.00621180 -0.00817088 116 VAL   A HA   
62   H  HB   . VAL   A 4   ? 0.45699570 0.32772058 0.37589452 0.01856858  0.01912653  -0.00708712 116 VAL   A HB   
63   H  HG11 . VAL   A 4   ? 0.48964405 0.39185056 0.38975307 -0.00104723 0.02035639  0.00639048  116 VAL   A HG11 
64   H  HG12 . VAL   A 4   ? 0.48827642 0.40113243 0.38961750 -0.00136452 0.01889973  0.00932203  116 VAL   A HG12 
65   H  HG13 . VAL   A 4   ? 0.49187297 0.39296943 0.38975129 -0.00201633 0.01676073  0.00657977  116 VAL   A HG13 
66   H  HG21 . VAL   A 4   ? 0.49136427 0.34998128 0.36705825 0.04821002  0.04537185  -0.01708358 116 VAL   A HG21 
67   H  HG22 . VAL   A 4   ? 0.49192125 0.35100093 0.36861020 0.04792564  0.04486901  -0.01771282 116 VAL   A HG22 
68   H  HG23 . VAL   A 4   ? 0.49594283 0.35066178 0.36959261 0.04944932  0.04766223  -0.01583420 116 VAL   A HG23 
69   N  N    . PRO   A 5   ? 0.42431849 0.14598826 0.37046146 -0.03538708 -0.02917050 0.02365564  117 PRO   A N    
70   C  CA   . PRO   A 5   ? 0.40381470 0.16188121 0.39715296 -0.03189143 0.00068646  -0.01423866 117 PRO   A CA   
71   C  C    . PRO   A 5   ? 0.39792824 0.21090327 0.40004301 -0.01170591 0.02872296  0.00436641  117 PRO   A C    
72   O  O    . PRO   A 5   ? 0.43781102 0.19317742 0.42342630 0.00821123  0.03797446  -0.02925019 117 PRO   A O    
73   C  CB   . PRO   A 5   ? 0.44859701 0.17401733 0.41757274 0.02096836  0.00248367  0.01219532  117 PRO   A CB   
74   C  CG   . PRO   A 5   ? 0.47797933 0.24164827 0.41661313 -0.00199598 0.00483600  0.00072966  117 PRO   A CG   
75   C  CD   . PRO   A 5   ? 0.47405690 0.17266607 0.38398477 -0.00783164 0.00287130  0.05613490  117 PRO   A CD   
76   H  HA   . PRO   A 5   ? 0.41226199 0.16895227 0.39484382 -0.02120112 0.00118256  -0.00127119 117 PRO   A HA   
77   H  HB2  . PRO   A 5   ? 0.44168302 0.18466389 0.41307792 0.00725522  0.00300840  0.00557739  117 PRO   A HB2  
78   H  HB3  . PRO   A 5   ? 0.44074890 0.18306448 0.41267705 0.00758953  0.00309516  0.00476693  117 PRO   A HB3  
79   H  HG2  . PRO   A 5   ? 0.47428954 0.21462762 0.41217101 0.00000095  0.00430271  0.01488367  117 PRO   A HG2  
80   H  HG3  . PRO   A 5   ? 0.47690079 0.21646242 0.41506657 -0.00224254 0.00899383  0.01126891  117 PRO   A HG3  
81   H  HD2  . PRO   A 5   ? 0.46288159 0.17759728 0.38651976 -0.01242746 -0.00386941 0.03995112  117 PRO   A HD2  
82   H  HD3  . PRO   A 5   ? 0.46230292 0.17754619 0.38626701 -0.01294731 -0.00362937 0.04014439  117 PRO   A HD3  
83   N  N    . TYR   A 6   ? 0.35675013 0.15047400 0.36354923 -0.00885808 0.05050436  -0.04116178 118 TYR   A N    
84   C  CA   . TYR   A 6   ? 0.33228654 0.16556382 0.35205123 -0.01207459 0.02715966  -0.00181450 118 TYR   A CA   
85   C  C    . TYR   A 6   ? 0.35653448 0.22560371 0.38465798 -0.03846681 0.03356621  -0.02646163 118 TYR   A C    
86   O  O    . TYR   A 6   ? 0.36325946 0.12351441 0.51532340 -0.05522042 0.02553787  -0.06305011 118 TYR   A O    
87   C  CB   . TYR   A 6   ? 0.34380665 0.17801416 0.38975912 -0.03683788 0.01593558  0.03744055  118 TYR   A CB   
88   C  CG   . TYR   A 6   ? 0.42408481 0.21855135 0.36986375 0.04621581  0.02419413  -0.02122517 118 TYR   A CG   
89   C  CD1  . TYR   A 6   ? 0.46039110 0.25218618 0.50273150 0.11725700  0.05074988  0.05410573  118 TYR   A CD1  
90   C  CD2  . TYR   A 6   ? 0.43539938 0.20899545 0.35375404 0.04591212  0.01077179  -0.02022634 118 TYR   A CD2  
91   C  CE1  . TYR   A 6   ? 0.53064990 0.20713486 0.55083430 0.11966799  0.07408449  0.01158109  118 TYR   A CE1  
92   C  CE2  . TYR   A 6   ? 0.45567578 0.22142203 0.37266597 0.05721670  0.01370461  -0.01261653 118 TYR   A CE2  
93   C  CZ   . TYR   A 6   ? 0.45825064 0.19891064 0.43319878 0.09858994  0.02789587  -0.02107575 118 TYR   A CZ   
94   O  OH   . TYR   A 6   ? 0.59903437 0.25029120 0.49701089 0.14538012  -0.06751943 -0.01397986 118 TYR   A OH   
95   H  H    . TYR   A 6   ? 0.35421124 0.16386902 0.36639586 -0.00999955 0.04376619  -0.02418759 118 TYR   A H    
96   H  HA   . TYR   A 6   ? 0.34065631 0.17515017 0.36342087 -0.01865510 0.03311072  -0.00649369 118 TYR   A HA   
97   H  HB2  . TYR   A 6   ? 0.34948447 0.17452237 0.37871951 -0.02241754 0.01771648  0.01663109  118 TYR   A HB2  
98   H  HB3  . TYR   A 6   ? 0.35537553 0.18066949 0.37965721 -0.01709556 0.01853611  0.01828756  118 TYR   A HB3  
99   H  HD1  . TYR   A 6   ? 0.46234155 0.23914409 0.47192377 0.10312606  0.04903620  0.02842899  118 TYR   A HD1  
100  H  HD2  . TYR   A 6   ? 0.43611658 0.21291961 0.36342534 0.04744981  0.01403655  -0.01773834 118 TYR   A HD2  
101  H  HE1  . TYR   A 6   ? 0.50745887 0.21563309 0.51411211 0.11306572  0.05616879  0.01632478  118 TYR   A HE1  
102  H  HE2  . TYR   A 6   ? 0.45207459 0.21448383 0.37858805 0.06333126  0.01721731  -0.01451111 118 TYR   A HE2  
103  H  HH   . TYR   A 6   ? 0.47106749 0.47106749 0.47106749 0.00000000  0.00000000  0.00000000  118 TYR   A HH   
104  N  N    . ASN   A 7   ? 0.40375653 0.28104389 0.38186130 -0.07322870 0.04987910  -0.06888399 119 ASN   A N    
105  C  CA   . ASN   A 7   ? 0.38193530 0.30981174 0.41208607 -0.07695270 -0.00052442 -0.03281915 119 ASN   A CA   
106  C  C    . ASN   A 7   ? 0.37136102 0.30854857 0.41453075 -0.03054767 0.01990330  -0.02302092 119 ASN   A C    
107  O  O    . ASN   A 7   ? 0.44218689 0.28775781 0.51257485 0.02225775  0.11121607  -0.00569879 119 ASN   A O    
108  C  CB   . ASN   A 7   ? 0.50255543 0.39969477 0.43880725 -0.08346398 0.01869404  -0.06231210 119 ASN   A CB   
109  C  CG   . ASN   A 7   ? 0.56212139 0.54489702 0.49723852 -0.10566489 -0.00801123 0.03195694  119 ASN   A CG   
110  O  OD1  . ASN   A 7   ? 0.76530129 0.65821689 0.74169517 -0.12973326 -0.02915576 0.14115480  119 ASN   A OD1  
111  N  ND2  . ASN   A 7   ? 0.53078038 0.60233742 0.51755524 -0.13136648 -0.00878548 0.00991209  119 ASN   A ND2  
112  H  H    . ASN   A 7   ? 0.39043120 0.27256966 0.38893700 -0.06506829 0.03642605  -0.05143329 119 ASN   A H    
113  H  HA   . ASN   A 7   ? 0.39632100 0.31277767 0.41209090 -0.06768703 0.01446152  -0.04009804 119 ASN   A HA   
114  H  HB2  . ASN   A 7   ? 0.48870051 0.39422166 0.44241804 -0.07912213 0.00914258  -0.04114864 119 ASN   A HB2  
115  H  HB3  . ASN   A 7   ? 0.48308206 0.39095467 0.44133699 -0.08173271 0.01151183  -0.04072657 119 ASN   A HB3  
116  H  HD21 . ASN   A 7   ? 0.53575391 0.58544356 0.51425618 -0.12091705 -0.00826630 0.00684735  119 ASN   A HD21 
117  H  HD22 . ASN   A 7   ? 0.54098874 0.58606446 0.51415890 -0.12386809 -0.00743679 0.01233795  119 ASN   A HD22 
118  N  N    . LEU   A 8   ? 0.37323394 0.19162698 0.39659646 0.00394684  -0.00799247 -0.02955816 120 LEU   A N    
119  C  CA   . LEU   A 8   ? 0.41174161 0.17700452 0.44229126 0.02100521  -0.03947316 -0.02978243 120 LEU   A CA   
120  C  C    . LEU   A 8   ? 0.34556916 0.11674157 0.41225085 0.09775719  -0.02128965 -0.01188559 120 LEU   A C    
121  O  O    . LEU   A 8   ? 0.37405300 0.10285866 0.39722958 0.05394266  -0.01667553 -0.03154367 120 LEU   A O    
122  C  CB   . LEU   A 8   ? 0.43676540 0.12712739 0.43863910 0.04522233  -0.04355143 -0.04773854 120 LEU   A CB   
123  C  CG   . LEU   A 8   ? 0.47427008 0.13655502 0.42450368 0.07010458  -0.04557709 -0.07703813 120 LEU   A CG   
124  C  CD1  . LEU   A 8   ? 0.47290245 0.22873032 0.47389084 0.06951767  -0.04872271 -0.05474990 120 LEU   A CD1  
125  C  CD2  . LEU   A 8   ? 0.55507362 0.19758287 0.41083643 0.02526619  -0.05877347 -0.08672044 120 LEU   A CD2  
126  H  H    . LEU   A 8   ? 0.37601468 0.20927639 0.40867692 0.00346379  -0.00603534 -0.02994779 120 LEU   A H    
127  H  HA   . LEU   A 8   ? 0.40510011 0.16424078 0.43132839 0.03601991  -0.02921022 -0.02874572 120 LEU   A HA   
128  H  HB2  . LEU   A 8   ? 0.43855500 0.13697028 0.43531722 0.04513567  -0.04362133 -0.05179513 120 LEU   A HB2  
129  H  HB3  . LEU   A 8   ? 0.43734396 0.13875656 0.43524909 0.04568549  -0.04252611 -0.05024782 120 LEU   A HB3  
130  H  HG   . LEU   A 8   ? 0.47882360 0.14679639 0.42738664 0.05838524  -0.04866882 -0.07517829 120 LEU   A HG   
131  H  HD11 . LEU   A 8   ? 0.47426784 0.20600998 0.46496093 0.07004774  -0.04767586 -0.05888638 120 LEU   A HD11 
132  H  HD12 . LEU   A 8   ? 0.47441506 0.21316072 0.46440649 0.06894419  -0.04546033 -0.06306200 120 LEU   A HD12 
133  H  HD13 . LEU   A 8   ? 0.47506440 0.21358302 0.46636850 0.07292658  -0.04422109 -0.05330406 120 LEU   A HD13 
134  H  HD21 . LEU   A 8   ? 0.54108661 0.18416305 0.41623247 0.03753724  -0.05170375 -0.08434844 120 LEU   A HD21 
135  H  HD22 . LEU   A 8   ? 0.53497392 0.18371508 0.41554254 0.03761079  -0.05329753 -0.08470279 120 LEU   A HD22 
136  H  HD23 . LEU   A 8   ? 0.53463393 0.19078740 0.41816714 0.03628999  -0.05220397 -0.08796231 120 LEU   A HD23 
137  N  N    . PRO   A 9   ? 0.38481516 0.16071513 0.47177640 0.08739602  0.00734167  -0.07818197 121 PRO   A N    
138  C  CA   . PRO   A 9   ? 0.39999941 0.23010424 0.43834394 0.08622061  -0.01439117 -0.08110157 121 PRO   A CA   
139  C  C    . PRO   A 9   ? 0.40451765 0.16653031 0.40422004 0.10726581  -0.04092434 -0.08386246 121 PRO   A C    
140  O  O    . PRO   A 9   ? 0.45356706 0.20556808 0.40700945 0.04841638  -0.09576042 -0.10572620 121 PRO   A O    
141  C  CB   . PRO   A 9   ? 0.43439323 0.29848456 0.48623818 0.09169289  0.00949654  -0.08111741 121 PRO   A CB   
142  C  CG   . PRO   A 9   ? 0.42545399 0.28363478 0.54224408 0.09420753  0.01295082  -0.09496978 121 PRO   A CG   
143  C  CD   . PRO   A 9   ? 0.40542543 0.21653363 0.49220222 0.08820710  0.00648207  -0.06426512 121 PRO   A CD   
144  H  HA   . PRO   A 9   ? 0.40139461 0.21100622 0.44261050 0.09070887  -0.01188166 -0.07951237 121 PRO   A HA   
145  H  HB2  . PRO   A 9   ? 0.42550492 0.29174066 0.48346937 0.09102295  0.00605039  -0.08446597 121 PRO   A HB2  
146  H  HB3  . PRO   A 9   ? 0.42559651 0.28293341 0.48475969 0.09155241  0.00623998  -0.08343388 121 PRO   A HB3  
147  H  HG2  . PRO   A 9   ? 0.42668074 0.27618691 0.52764821 0.09079173  0.01410872  -0.08927277 121 PRO   A HG2  
148  H  HG3  . PRO   A 9   ? 0.42614153 0.27313459 0.52783680 0.09515290  0.00909157  -0.08753594 121 PRO   A HG3  
149  H  HD2  . PRO   A 9   ? 0.40458098 0.21351689 0.49142873 0.08821708  0.00761216  -0.07102377 121 PRO   A HD2  
150  H  HD3  . PRO   A 9   ? 0.40431604 0.21312678 0.49215627 0.08785084  0.00855920  -0.07065047 121 PRO   A HD3  
151  N  N    . LEU   A 10  ? 0.39255160 0.13698338 0.34918770 0.08449902  -0.01260827 -0.06660087 122 LEU   A N    
152  C  CA   . LEU   A 10  ? 0.46586561 0.18116352 0.32384762 0.06325386  -0.01325904 -0.05177141 122 LEU   A CA   
153  C  C    . LEU   A 10  ? 0.43405411 0.11325131 0.38004875 0.07990944  -0.03749180 -0.04114769 122 LEU   A C    
154  O  O    . LEU   A 10  ? 0.40784711 0.11401518 0.38183659 0.11333020  -0.01871146 -0.02169077 122 LEU   A O    
155  C  CB   . LEU   A 10  ? 0.48756239 0.11877534 0.32710433 0.04000148  0.01105612  -0.04517353 122 LEU   A CB   
156  C  CG   . LEU   A 10  ? 0.46715817 0.08364780 0.31468016 0.04138477  0.02814735  -0.02826957 122 LEU   A CG   
157  C  CD1  . LEU   A 10  ? 0.48419231 0.06443873 0.37218472 0.01270048  0.04687945  -0.02795970 122 LEU   A CD1  
158  C  CD2  . LEU   A 10  ? 0.49053654 0.09544536 0.35741138 0.08300080  0.02277189  -0.05260506 122 LEU   A CD2  
159  H  H    . LEU   A 10  ? 0.40749419 0.15168458 0.35443985 0.08558874  -0.01802611 -0.06512787 122 LEU   A H    
160  H  HA   . LEU   A 10  ? 0.45100132 0.15271257 0.33760324 0.06727397  -0.01446262 -0.05078988 122 LEU   A HA   
161  H  HB2  . LEU   A 10  ? 0.47873014 0.12197110 0.32765514 0.04478893  0.01145808  -0.04224215 122 LEU   A HB2  
162  H  HB3  . LEU   A 10  ? 0.47902858 0.12208088 0.32533100 0.04462473  0.01073823  -0.04213881 122 LEU   A HB3  
163  H  HG   . LEU   A 10  ? 0.47394812 0.08464349 0.32957703 0.03990217  0.02989515  -0.03140194 122 LEU   A HG   
164  H  HD11 . LEU   A 10  ? 0.48018548 0.07003299 0.36333236 0.02060014  0.04523316  -0.02849398 122 LEU   A HD11 
165  H  HD12 . LEU   A 10  ? 0.47890791 0.07028798 0.35831335 0.02103790  0.04311869  -0.02751533 122 LEU   A HD12 
166  H  HD13 . LEU   A 10  ? 0.47795284 0.06805255 0.35744208 0.01941206  0.04413795  -0.02619433 122 LEU   A HD13 
167  H  HD21 . LEU   A 10  ? 0.48456624 0.09439002 0.34556296 0.07284079  0.02287568  -0.04698734 122 LEU   A HD21 
168  H  HD22 . LEU   A 10  ? 0.48635110 0.09849837 0.34748220 0.07555617  0.02158826  -0.04940441 122 LEU   A HD22 
169  H  HD23 . LEU   A 10  ? 0.48439559 0.09216816 0.34502149 0.07314099  0.02357810  -0.04755348 122 LEU   A HD23 
170  N  N    . PRO   A 11  ? 0.43088326 0.25900638 0.35818702 0.10443406  -0.04731654 -0.07986690 123 PRO   A N    
171  C  CA   . PRO   A 11  ? 0.41663200 0.14712873 0.36431527 0.05228208  -0.04344514 -0.05590505 123 PRO   A CA   
172  C  C    . PRO   A 11  ? 0.41081849 0.17552096 0.33602247 0.07099976  0.00344285  -0.05127633 123 PRO   A C    
173  O  O    . PRO   A 11  ? 0.55983210 0.30932033 0.27643579 0.13578822  -0.01128850 -0.08963665 123 PRO   A O    
174  C  CB   . PRO   A 11  ? 0.43936872 0.16692808 0.42065310 0.07597467  -0.06411925 -0.04820526 123 PRO   A CB   
175  C  CG   . PRO   A 11  ? 0.42337859 0.19881378 0.42229444 0.06506579  -0.04557647 -0.05893068 123 PRO   A CG   
176  C  CD   . PRO   A 11  ? 0.41364151 0.19059616 0.42547649 0.08531756  -0.04653049 -0.04903337 123 PRO   A CD   
177  H  HA   . PRO   A 11  ? 0.42152956 0.16957402 0.36350286 0.06764685  -0.03834203 -0.05479047 123 PRO   A HA   
178  H  HB2  . PRO   A 11  ? 0.43204653 0.16662045 0.40912586 0.07016097  -0.05690239 -0.05079023 123 PRO   A HB2  
179  H  HB3  . PRO   A 11  ? 0.43318534 0.16875467 0.41439745 0.07001771  -0.05928995 -0.05179641 123 PRO   A HB3  
180  H  HG2  . PRO   A 11  ? 0.42722106 0.19217840 0.42403871 0.06919027  -0.04636404 -0.05582931 123 PRO   A HG2  
181  H  HG3  . PRO   A 11  ? 0.42512894 0.19197954 0.42309606 0.07096802  -0.04834032 -0.05523853 123 PRO   A HG3  
182  H  HD2  . PRO   A 11  ? 0.41995817 0.20385167 0.41250807 0.08523318  -0.04558417 -0.05585005 123 PRO   A HD2  
183  H  HD3  . PRO   A 11  ? 0.41972572 0.19798443 0.41118354 0.08432716  -0.04564027 -0.05742818 123 PRO   A HD3  
184  N  N    . GLY   A 12  ? 0.40305215 0.13473588 0.31364378 0.03279947  0.01259007  -0.05190786 124 GLY   A N    
185  C  CA   . GLY   A 12  ? 0.42303821 0.12577166 0.38339579 0.04626326  0.01410720  0.01739666  124 GLY   A CA   
186  C  C    . GLY   A 12  ? 0.40632004 0.14068869 0.42495972 -0.00405401 0.01886734  0.02511087  124 GLY   A C    
187  O  O    . GLY   A 12  ? 0.45387998 0.04945736 0.51459563 0.01387450  0.01565676  0.08230585  124 GLY   A O    
188  H  H    . GLY   A 12  ? 0.40869576 0.14188923 0.32705656 0.04385826  0.01105987  -0.03771299 124 GLY   A H    
189  H  HA2  . GLY   A 12  ? 0.41568649 0.13062517 0.37986952 0.03563765  0.01601999  0.00804023  124 GLY   A HA2  
190  H  HA3  . GLY   A 12  ? 0.41473401 0.12443191 0.37039450 0.03831487  0.01260056  0.00962031  124 GLY   A HA3  
191  N  N    . GLY   A 13  ? 0.42850244 0.14551876 0.38032624 0.00925553  0.03169341  -0.00921599 125 GLY   A N    
192  C  CA   . GLY   A 13  ? 0.42061356 0.14486781 0.36265531 -0.00684869 0.02059110  -0.01584444 125 GLY   A CA   
193  C  C    . GLY   A 13  ? 0.39952829 0.09380670 0.35737568 -0.01066933 0.00649223  -0.01332015 125 GLY   A C    
194  O  O    . GLY   A 13  ? 0.46429256 0.34320721 0.29287210 0.05787711  0.01918801  0.02059981  125 GLY   A O    
195  H  H    . GLY   A 13  ? 0.42585808 0.14581841 0.38395312 0.00641789  0.02593493  -0.00426954 125 GLY   A H    
196  H  HA2  . GLY   A 13  ? 0.41751239 0.14257213 0.36513180 -0.00291582 0.02061423  -0.01477898 125 GLY   A HA2  
197  H  HA3  . GLY   A 13  ? 0.41774130 0.13408959 0.36613786 -0.00332038 0.02084366  -0.01307375 125 GLY   A HA3  
198  N  N    . VAL   A 14  ? 0.37742963 0.06148094 0.33502391 0.01110200  0.03251939  0.04834313  126 VAL   A N    
199  C  CA   . VAL   A 14  ? 0.36088365 0.13840842 0.32033843 -0.01545857 0.06125911  0.02740664  126 VAL   A CA   
200  C  C    . VAL   A 14  ? 0.41529143 0.11081144 0.28951013 -0.00950686 0.03534664  0.05730091  126 VAL   A C    
201  O  O    . VAL   A 14  ? 0.42479196 0.11368527 0.32156548 0.02881273  0.02233672  0.03963692  126 VAL   A O    
202  C  CB   . VAL   A 14  ? 0.39527607 0.15129954 0.31672037 -0.01016965 0.05815838  0.01801839  126 VAL   A CB   
203  C  CG1  . VAL   A 14  ? 0.39259261 0.11557148 0.27043763 0.00298993  0.02637796  0.00969396  126 VAL   A CG1  
204  C  CG2  . VAL   A 14  ? 0.39056158 0.08311091 0.33964682 -0.01285631 0.04655972  0.01400255  126 VAL   A CG2  
205  H  H    . VAL   A 14  ? 0.37609881 0.08391240 0.33461577 0.00399472  0.02947615  0.03326362  126 VAL   A H    
206  H  HA   . VAL   A 14  ? 0.37750953 0.12415498 0.31816792 -0.00817253 0.05111769  0.03496053  126 VAL   A HA   
207  H  HB   . VAL   A 14  ? 0.38892001 0.13142453 0.31487989 -0.00835798 0.05187384  0.01792034  126 VAL   A HB   
208  H  HG11 . VAL   A 14  ? 0.39244014 0.12192515 0.27614576 0.00049142  0.03411805  0.01241647  126 VAL   A HG11 
209  H  HG12 . VAL   A 14  ? 0.39040035 0.12219313 0.27884147 0.00082986  0.03271096  0.01194022  126 VAL   A HG12 
210  H  HG13 . VAL   A 14  ? 0.39174905 0.11953853 0.27866518 0.00196313  0.03445659  0.01043838  126 VAL   A HG13 
211  H  HG21 . VAL   A 14  ? 0.39044139 0.09271263 0.33339870 -0.01050615 0.05053310  0.01298607  126 VAL   A HG21 
212  H  HG22 . VAL   A 14  ? 0.38983449 0.09330703 0.33330333 -0.01475383 0.05035865  0.01557408  126 VAL   A HG22 
213  H  HG23 . VAL   A 14  ? 0.39113259 0.09654438 0.33668867 -0.01215748 0.04942459  0.01491864  126 VAL   A HG23 
214  N  N    . VAL   A 15  ? 0.42718530 0.18975604 0.29648024 -0.04661121 0.03331940  0.05636304  127 VAL   A N    
215  C  CA   . VAL   A 15  ? 0.40988883 0.16582122 0.34009725 -0.02497675 0.01556841  0.05593576  127 VAL   A CA   
216  C  C    . VAL   A 15  ? 0.42054021 0.14200374 0.32608902 -0.01434271 -0.00107042 0.02943693  127 VAL   A C    
217  O  O    . VAL   A 15  ? 0.43553731 0.05057860 0.35951519 -0.02854151 0.02669365  0.02383401  127 VAL   A O    
218  C  CB   . VAL   A 15  ? 0.41791993 0.20001683 0.37527061 -0.00730401 0.02212782  0.04381656  127 VAL   A CB   
219  C  CG1  . VAL   A 15  ? 0.43457183 0.14069717 0.35373351 -0.00565502 0.01890931  0.05794792  127 VAL   A CG1  
220  C  CG2  . VAL   A 15  ? 0.47325158 0.20385309 0.41726696 -0.02382604 0.02293402  0.00826459  127 VAL   A CG2  
221  H  H    . VAL   A 15  ? 0.42053905 0.16522452 0.30394366 -0.03284617 0.03081033  0.05597399  127 VAL   A H    
222  H  HA   . VAL   A 15  ? 0.41533032 0.16953266 0.33515444 -0.02390778 0.01648748  0.04886539  127 VAL   A HA   
223  H  HB   . VAL   A 15  ? 0.42667124 0.18411061 0.37263125 -0.01149999 0.02103600  0.04430243  127 VAL   A HB   
224  H  HG11 . VAL   A 15  ? 0.43067223 0.15286745 0.35693127 -0.00634723 0.02066419  0.05461989  127 VAL   A HG11 
225  H  HG12 . VAL   A 15  ? 0.43009263 0.14802362 0.35850412 -0.00886667 0.02106176  0.05615369  127 VAL   A HG12 
226  H  HG13 . VAL   A 15  ? 0.42960319 0.15111318 0.35836688 -0.00483855 0.02064364  0.05436575  127 VAL   A HG13 
227  H  HG21 . VAL   A 15  ? 0.46289763 0.20576653 0.40727139 -0.02192845 0.02256746  0.01896600  127 VAL   A HG21 
228  H  HG22 . VAL   A 15  ? 0.46245998 0.20355508 0.40884808 -0.01934988 0.02473450  0.01886069  127 VAL   A HG22 
229  H  HG23 . VAL   A 15  ? 0.46129608 0.20291997 0.41168159 -0.01947214 0.02076166  0.01803917  127 VAL   A HG23 
230  N  N    . PRO   A 16  ? 0.42730036 0.08036905 0.36448810 -0.00181227 0.00141364  0.01363212  128 PRO   A N    
231  C  CA   . PRO   A 16  ? 0.45326751 0.05224926 0.38087171 -0.02521883 0.02751362  -0.00083160 128 PRO   A CA   
232  C  C    . PRO   A 16  ? 0.43028796 0.10325000 0.35439548 -0.00504582 0.01810370  0.01231334  128 PRO   A C    
233  O  O    . PRO   A 16  ? 0.37885225 0.16229612 0.35087085 0.00000990  0.03244103  0.01702717  128 PRO   A O    
234  C  CB   . PRO   A 16  ? 0.47700027 0.12588806 0.44114491 -0.05648574 0.03119910  -0.01835690 128 PRO   A CB   
235  C  CG   . PRO   A 16  ? 0.43644425 0.09170613 0.42262360 -0.03446051 0.01679963  -0.02019580 128 PRO   A CG   
236  C  CD   . PRO   A 16  ? 0.43758371 0.14147371 0.43997538 -0.01478372 0.00028539  -0.01251198 128 PRO   A CD   
237  H  HA   . PRO   A 16  ? 0.44696015 0.06160004 0.38070339 -0.01630370 0.02278093  -0.00108358 128 PRO   A HA   
238  H  HB2  . PRO   A 16  ? 0.46687567 0.12302697 0.42439735 -0.05187231 0.02867141  -0.01709690 128 PRO   A HB2  
239  H  HB3  . PRO   A 16  ? 0.46769825 0.10658949 0.42758298 -0.04736030 0.02517819  -0.01373328 128 PRO   A HB3  
240  H  HG2  . PRO   A 16  ? 0.44009769 0.09971226 0.42909986 -0.03810298 0.01528943  -0.01960503 128 PRO   A HG2  
241  H  HG3  . PRO   A 16  ? 0.44092157 0.09881310 0.42902079 -0.03141848 0.01614541  -0.01759704 128 PRO   A HG3  
242  H  HD2  . PRO   A 16  ? 0.43627474 0.13181312 0.42217955 -0.01893363 0.00404111  -0.00446690 128 PRO   A HD2  
243  H  HD3  . PRO   A 16  ? 0.43533161 0.12488219 0.42780349 -0.01687570 0.00668330  -0.01103681 128 PRO   A HD3  
244  N  N    . ARG   A 17  ? 0.45057577 0.11854971 0.37062004 -0.04369822 0.00070796  0.01656491  129 ARG   A N    
245  C  CA   . ARG   A 17  ? 0.47003084 0.08808890 0.34717792 -0.01726272 -0.01570320 0.01761411  129 ARG   A CA   
246  C  C    . ARG   A 17  ? 0.42717740 0.14188404 0.33106071 0.00174161  -0.01103834 0.00046895  129 ARG   A C    
247  O  O    . ARG   A 17  ? 0.44976673 0.11606877 0.35151404 -0.01161623 -0.02309898 0.06736662  129 ARG   A O    
248  C  CB   . ARG   A 17  ? 0.50322402 0.12652192 0.32206327 0.02226070  -0.02301631 0.03253432  129 ARG   A CB   
249  C  CG   . ARG   A 17  ? 0.59374881 0.19417414 0.37808007 -0.03893492 -0.00341747 0.07033087  129 ARG   A CG   
250  C  CD   . ARG   A 17  ? 0.66048861 0.23571426 0.43318838 -0.01645988 -0.00367949 0.12353303  129 ARG   A CD   
251  N  NE   . ARG   A 17  ? 0.75271970 0.30328944 0.52100271 0.01526139  0.02034321  0.12079033  129 ARG   A NE   
252  C  CZ   . ARG   A 17  ? 0.77814633 0.58003366 0.60961866 0.12473455  0.01213469  0.05725893  129 ARG   A CZ   
253  N  NH1  . ARG   A 17  ? 0.79366660 0.73516124 0.68266773 0.18635222  -0.00897086 0.06287374  129 ARG   A NH1  
254  N  NH2  . ARG   A 17  ? 0.81416786 0.66324008 0.65502620 0.11820273  0.06155525  0.01329692  129 ARG   A NH2  
255  H  H    . ARG   A 17  ? 0.45567283 0.11428501 0.36290351 -0.03540520 0.00113366  0.01654013  129 ARG   A H    
256  H  HA   . ARG   A 17  ? 0.46655682 0.10834078 0.34765881 -0.01162929 -0.01348091 0.01747629  129 ARG   A HA   
257  H  HB2  . ARG   A 17  ? 0.50472635 0.12549539 0.32967395 0.00577340  -0.01558828 0.03258742  129 ARG   A HB2  
258  H  HB3  . ARG   A 17  ? 0.50315666 0.12729953 0.33320299 0.00495519  -0.01972331 0.03570693  129 ARG   A HB3  
259  H  HG2  . ARG   A 17  ? 0.58021468 0.18360770 0.37575412 -0.02072541 -0.00841948 0.07371530  129 ARG   A HG2  
260  H  HG3  . ARG   A 17  ? 0.58373189 0.18327719 0.37472510 -0.01950201 -0.00489673 0.07204633  129 ARG   A HG3  
261  H  HD2  . ARG   A 17  ? 0.65586364 0.23985773 0.43156043 -0.01402526 0.00015521  0.11015488  129 ARG   A HD2  
262  H  HD3  . ARG   A 17  ? 0.65559363 0.23739731 0.43050221 -0.01559920 0.00000828  0.11104148  129 ARG   A HD3  
263  H  HE   . ARG   A 17  ? 0.73415077 0.31925231 0.51457006 0.02580553  0.02187171  0.10994346  129 ARG   A HE   
264  H  HH11 . ARG   A 17  ? 0.79224259 0.68820620 0.66260105 0.16392699  -0.00184823 0.06685621  129 ARG   A HH11 
265  H  HH12 . ARG   A 17  ? 0.78512233 0.67527157 0.66800404 0.16439223  -0.00052735 0.07617618  129 ARG   A HH12 
266  H  HH21 . ARG   A 17  ? 0.80928051 0.64182812 0.64302087 0.11425604  0.05006313  0.02768172  129 ARG   A HH21 
267  H  HH22 . ARG   A 17  ? 0.81118983 0.63169199 0.64655292 0.11492437  0.05750301  0.02652537  129 ARG   A HH22 
268  N  N    . MET   A 18  ? 0.39733270 0.11012671 0.33373845 -0.04305784 -0.00500197 0.00177566  130 MET   A N    
269  C  CA   . MET   A 18  ? 0.39516068 0.10457458 0.34533182 0.00833680  0.04852459  -0.04003101 130 MET   A CA   
270  C  C    . MET   A 18  ? 0.39198586 0.13371529 0.35573202 0.00826861  -0.01000887 -0.06999852 130 MET   A C    
271  O  O    . MET   A 18  ? 0.35890785 0.17474939 0.40476024 -0.00465683 0.01952763  -0.02927429 130 MET   A O    
272  C  CB   . MET   A 18  ? 0.42544052 0.15097845 0.34086123 0.04137484  0.02722454  -0.01526131 130 MET   A CB   
273  C  CG   . MET   A 18  ? 0.43835610 0.20683311 0.38049811 0.03214487  0.02120955  0.01292837  130 MET   A CG   
274  S  SD   . MET   A 18  ? 0.48373964 0.41111797 0.36011752 -0.01801462 -0.01006629 0.05107347  130 MET   A SD   
275  C  CE   . MET   A 18  ? 0.54471022 0.40315396 0.39020467 -0.02231580 0.01648431  0.06367148  130 MET   A CE   
276  H  H    . MET   A 18  ? 0.39977947 0.11563121 0.33199179 -0.02404437 -0.00000232 -0.00731498 130 MET   A H    
277  H  HA   . MET   A 18  ? 0.40176657 0.11689096 0.34644455 0.00340420  0.02730437  -0.03302462 130 MET   A HA   
278  H  HB2  . MET   A 18  ? 0.42019081 0.14941032 0.34850368 0.03182057  0.02977514  -0.01458565 130 MET   A HB2  
279  H  HB3  . MET   A 18  ? 0.41785610 0.14833951 0.34865093 0.03359997  0.02932399  -0.01493264 130 MET   A HB3  
280  H  HG2  . MET   A 18  ? 0.44041058 0.21251069 0.36718762 0.02790156  0.01830312  0.00954610  130 MET   A HG2  
281  H  HG3  . MET   A 18  ? 0.43926007 0.21641220 0.36731842 0.02862409  0.01776610  0.01121226  130 MET   A HG3  
282  H  HE1  . MET   A 18  ? 0.53115213 0.40537792 0.38729605 -0.02187577 0.01096904  0.06037437  130 MET   A HE1  
283  H  HE2  . MET   A 18  ? 0.53087986 0.40477288 0.38430148 -0.02155832 0.01124498  0.06034490  130 MET   A HE2  
284  H  HE3  . MET   A 18  ? 0.53474700 0.40528277 0.38605133 -0.02318731 0.01306265  0.05871619  130 MET   A HE3  
285  N  N    . LEU   A 19  ? 0.41844589 0.06217710 0.37290213 -0.01344644 -0.03131801 -0.04381835 131 LEU   A N    
286  C  CA   . LEU   A 19  ? 0.39636308 0.11548821 0.36419308 -0.00271045 -0.05128379 -0.07469696 131 LEU   A CA   
287  C  C    . LEU   A 19  ? 0.39716655 0.13589829 0.40982628 0.01020025  -0.03646320 -0.01741491 131 LEU   A C    
288  O  O    . LEU   A 19  ? 0.40856680 0.11784206 0.45296469 0.00320122  0.01888649  0.03435110  131 LEU   A O    
289  C  CB   . LEU   A 19  ? 0.46648031 0.14984483 0.38321829 0.02349840  -0.03480344 -0.06307428 131 LEU   A CB   
290  C  CG   . LEU   A 19  ? 0.52129334 0.17285098 0.41539562 0.02545313  -0.06955032 -0.07426133 131 LEU   A CG   
291  C  CD1  . LEU   A 19  ? 0.54447424 0.12474677 0.43852124 0.00563841  -0.06169677 -0.04502534 131 LEU   A CD1  
292  C  CD2  . LEU   A 19  ? 0.57153970 0.14041279 0.43564260 0.02640642  -0.08256912 -0.02928125 131 LEU   A CD2  
293  H  H    . LEU   A 19  ? 0.41129243 0.08934814 0.36744884 -0.00773663 -0.02918139 -0.05451358 131 LEU   A H    
294  H  HA   . LEU   A 19  ? 0.40593666 0.11217435 0.37530828 0.00265021  -0.04219368 -0.05768192 131 LEU   A HA   
295  H  HB2  . LEU   A 19  ? 0.45915008 0.14691524 0.38385066 0.01915559  -0.04415837 -0.06794266 131 LEU   A HB2  
296  H  HB3  . LEU   A 19  ? 0.45929366 0.14620024 0.38383859 0.01741873  -0.04339544 -0.06711534 131 LEU   A HB3  
297  H  HG   . LEU   A 19  ? 0.52525371 0.16107842 0.41713744 0.02697246  -0.06596778 -0.06167801 131 LEU   A HG   
298  H  HD11 . LEU   A 19  ? 0.53597075 0.13595054 0.43220967 0.01030048  -0.06173286 -0.05141649 131 LEU   A HD11 
299  H  HD12 . LEU   A 19  ? 0.53679734 0.13729873 0.43295202 0.01045762  -0.06163602 -0.05011827 131 LEU   A HD12 
300  H  HD13 . LEU   A 19  ? 0.53573799 0.13456856 0.43255359 0.00863309  -0.06138147 -0.05067426 131 LEU   A HD13 
301  H  HD21 . LEU   A 19  ? 0.56202233 0.15056452 0.43128711 0.02378530  -0.07856083 -0.03970846 131 LEU   A HD21 
302  H  HD22 . LEU   A 19  ? 0.55879384 0.14981097 0.43123955 0.02490626  -0.07830760 -0.03968881 131 LEU   A HD22 
303  H  HD23 . LEU   A 19  ? 0.55893773 0.15282512 0.43324172 0.02508568  -0.07839210 -0.03742048 131 LEU   A HD23 
304  N  N    . ILE   A 20  ? 0.39150727 0.10506216 0.38298598 -0.00229814 -0.00041260 -0.04765029 132 ILE   A N    
305  C  CA   . ILE   A 20  ? 0.39363870 0.12187470 0.36342824 0.01787739  0.03554428  -0.05449357 132 ILE   A CA   
306  C  C    . ILE   A 20  ? 0.39262113 0.07548609 0.34709615 0.02455452  0.01716147  -0.02374668 132 ILE   A C    
307  O  O    . ILE   A 20  ? 0.42401975 0.07842842 0.40044421 0.02613173  0.04012065  -0.03800461 132 ILE   A O    
308  C  CB   . ILE   A 20  ? 0.40702930 0.14017844 0.38412267 0.00799351  0.04201111  -0.02466557 132 ILE   A CB   
309  C  CG1  . ILE   A 20  ? 0.44415176 0.20189309 0.39418477 0.05364649  0.00752592  -0.04184974 132 ILE   A CG1  
310  C  CG2  . ILE   A 20  ? 0.42112097 0.22836022 0.42414433 -0.02146168 0.08167237  0.00293892  132 ILE   A CG2  
311  C  CD1  . ILE   A 20  ? 0.48444766 0.25246817 0.46899641 0.09166535  -0.00107684 -0.00768937 132 ILE   A CD1  
312  H  H    . ILE   A 20  ? 0.39338586 0.11449049 0.38432226 0.00448105  -0.00089364 -0.04324400 132 ILE   A H    
313  H  HA   . ILE   A 20  ? 0.39299160 0.11239547 0.36748582 0.01554055  0.02778733  -0.04309684 132 ILE   A HA   
314  H  HB   . ILE   A 20  ? 0.41053671 0.15606019 0.38712406 0.01344448  0.04174705  -0.02826107 132 ILE   A HB   
315  H  HG12 . ILE   A 20  ? 0.44220170 0.19507192 0.40411583 0.04972699  0.01403570  -0.03297154 132 ILE   A HG12 
316  H  HG13 . ILE   A 20  ? 0.44229415 0.19512835 0.40210739 0.04882742  0.01477264  -0.03330805 132 ILE   A HG13 
317  H  HG21 . ILE   A 20  ? 0.41937587 0.20435157 0.41969270 -0.01312489 0.07286836  -0.00440424 132 ILE   A HG21 
318  H  HG22 . ILE   A 20  ? 0.42224681 0.20424548 0.41505647 -0.01408132 0.07087018  -0.00238470 132 ILE   A HG22 
319  H  HG23 . ILE   A 20  ? 0.41839921 0.21069059 0.42033583 -0.01264476 0.07099509  0.00418674  132 ILE   A HG23 
320  H  HD11 . ILE   A 20  ? 0.47249231 0.23925889 0.45540157 0.08216340  -0.00071914 -0.01731425 132 ILE   A HD11 
321  H  HD12 . ILE   A 20  ? 0.47166112 0.24616957 0.45572817 0.08170306  0.00176767  -0.00796273 132 ILE   A HD12 
322  H  HD13 . ILE   A 20  ? 0.47187278 0.23919901 0.44974312 0.08134649  0.00177019  -0.01488797 132 ILE   A HD13 
323  N  N    . THR   A 21  ? 0.40834346 0.08444010 0.35894975 0.01860825  0.01959484  -0.05325283 133 THR   A N    
324  C  CA   . THR   A 21  ? 0.41426939 0.13761044 0.35135907 -0.02731368 0.04381329  -0.06231740 133 THR   A CA   
325  C  C    . THR   A 21  ? 0.38021517 0.13656148 0.35473132 0.00773557  0.06370746  -0.03335582 133 THR   A C    
326  O  O    . THR   A 21  ? 0.39333192 0.11090299 0.41648006 -0.02978394 0.05626367  -0.02744039 133 THR   A O    
327  C  CB   . THR   A 21  ? 0.42862755 0.21586734 0.36569035 -0.02668722 0.03892277  -0.04924288 133 THR   A CB   
328  O  OG1  . THR   A 21  ? 0.46501398 0.16410065 0.42807394 -0.00851893 0.04014243  -0.03586020 133 THR   A OG1  
329  C  CG2  . THR   A 21  ? 0.46039754 0.16730349 0.36160412 -0.04193608 0.01085181  -0.01657595 133 THR   A CG2  
330  H  H    . THR   A 21  ? 0.40427187 0.09255099 0.35468453 0.01212651  0.02454998  -0.04880618 133 THR   A H    
331  H  HA   . THR   A 21  ? 0.41299865 0.13687149 0.35599273 -0.01343400 0.04123968  -0.05291975 133 THR   A HA   
332  H  HB   . THR   A 21  ? 0.43474573 0.18769167 0.37201697 -0.02454976 0.03758048  -0.04369957 133 THR   A HB   
333  H  HG1  . THR   A 21  ? 0.36616206 0.36616206 0.36616206 0.00000000  0.00000000  0.00000000  133 THR   A HG1  
334  H  HG21 . THR   A 21  ? 0.45295104 0.17673026 0.36069700 -0.03722024 0.01628482  -0.02166167 133 THR   A HG21 
335  H  HG22 . THR   A 21  ? 0.45742366 0.17807347 0.36336124 -0.03953622 0.01622411  -0.02221946 133 THR   A HG22 
336  H  HG23 . THR   A 21  ? 0.45222902 0.17446409 0.36192429 -0.03986488 0.01894066  -0.02143190 133 THR   A HG23 
337  N  N    . ILE   A 22  ? 0.36086872 0.12711880 0.32779604 -0.01093090 0.05143701  -0.04918505 134 ILE   A N    
338  C  CA   . ILE   A 22  ? 0.37752777 0.14552401 0.30126223 -0.01260810 0.03886833  -0.01372107 134 ILE   A CA   
339  C  C    . ILE   A 22  ? 0.35740697 0.14931557 0.29878634 -0.01516724 0.02209002  0.00514022  134 ILE   A C    
340  O  O    . ILE   A 22  ? 0.36249542 0.09972007 0.37498754 -0.02933421 0.04551303  -0.00797166 134 ILE   A O    
341  C  CB   . ILE   A 22  ? 0.42301953 0.17453244 0.31275117 -0.01388147 0.01970412  0.00394347  134 ILE   A CB   
342  C  CG1  . ILE   A 22  ? 0.48581636 0.21349835 0.37698242 -0.03224615 -0.01040067 0.00119918  134 ILE   A CG1  
343  C  CG2  . ILE   A 22  ? 0.43053168 0.16533625 0.30087617 0.01030019  0.03800044  0.02503316  134 ILE   A CG2  
344  C  CD1  . ILE   A 22  ? 0.52009284 0.29953951 0.46553415 -0.02597024 -0.02863953 -0.03678805 134 ILE   A CD1  
345  H  H    . ILE   A 22  ? 0.36529830 0.13300376 0.32715261 -0.00756071 0.05251460  -0.03888949 134 ILE   A H    
346  H  HA   . ILE   A 22  ? 0.37593588 0.14670652 0.30795538 -0.01202994 0.03652758  -0.01469402 134 ILE   A HA   
347  H  HB   . ILE   A 22  ? 0.42404547 0.17425607 0.31830692 -0.01229038 0.02186798  0.00431911  134 ILE   A HB   
348  H  HG12 . ILE   A 22  ? 0.47700265 0.21594411 0.37228510 -0.02575784 -0.00520948 -0.00186036 134 ILE   A HG12 
349  H  HG13 . ILE   A 22  ? 0.48040763 0.21924496 0.37409487 -0.02872490 -0.00632018 -0.00212676 134 ILE   A HG13 
350  H  HG21 . ILE   A 22  ? 0.42745689 0.16755807 0.30381134 0.00501306  0.03249308  0.02022758  134 ILE   A HG21 
351  H  HG22 . ILE   A 22  ? 0.42690778 0.16775548 0.30414429 0.00476620  0.03399745  0.01956160  134 ILE   A HG22 
352  H  HG23 . ILE   A 22  ? 0.42769229 0.16844614 0.30576396 0.00463843  0.03365913  0.02062972  134 ILE   A HG23 
353  H  HD11 . ILE   A 22  ? 0.50953704 0.28255835 0.45248222 -0.02881062 -0.02039156 -0.03433046 134 ILE   A HD11 
354  H  HD12 . ILE   A 22  ? 0.51060748 0.27847299 0.44806772 -0.02746860 -0.02086397 -0.02364311 134 ILE   A HD12 
355  H  HD13 . ILE   A 22  ? 0.51351732 0.27896252 0.44324589 -0.03105716 -0.02247046 -0.02534080 134 ILE   A HD13 
356  N  N    . LEU   A 23  ? 0.35619727 0.17064822 0.29023328 0.01962659  0.01010406  -0.00325918 135 LEU   A N    
357  C  CA   . LEU   A 23  ? 0.37046468 0.15094538 0.29496035 -0.02282095 0.01110464  -0.00555253 135 LEU   A CA   
358  C  C    . LEU   A 23  ? 0.39154419 0.13421825 0.26877859 -0.00745838 0.02446847  -0.01256300 135 LEU   A C    
359  O  O    . LEU   A 23  ? 0.38689005 0.09235071 0.30894956 -0.03031572 0.03176714  -0.03579328 135 LEU   A O    
360  C  CB   . LEU   A 23  ? 0.36950633 0.21443240 0.31225768 -0.00861795 0.00688896  0.00008189  135 LEU   A CB   
361  C  CG   . LEU   A 23  ? 0.41077718 0.29891208 0.36029312 0.04500546  -0.00498084 0.04265784  135 LEU   A CG   
362  C  CD1  . LEU   A 23  ? 0.46468377 0.34217519 0.37032768 0.12859237  0.01740335  0.02219065  135 LEU   A CD1  
363  C  CD2  . LEU   A 23  ? 0.41847363 0.29092857 0.40232077 0.10890666  0.01100843  0.08861125  135 LEU   A CD2  
364  H  H    . LEU   A 23  ? 0.35795695 0.16090354 0.29175198 0.00416090  0.01511203  -0.00292623 135 LEU   A H    
365  H  HA   . LEU   A 23  ? 0.37351698 0.16104117 0.29424784 -0.01060593 0.01235832  -0.00518247 135 LEU   A HA   
366  H  HB2  . LEU   A 23  ? 0.37491259 0.20984517 0.31353331 -0.00103306 0.00728420  0.00553460  135 LEU   A HB2  
367  H  HB3  . LEU   A 23  ? 0.37502116 0.20703673 0.31227779 -0.00297249 0.00558166  0.00398943  135 LEU   A HB3  
368  H  HG   . LEU   A 23  ? 0.40645260 0.28294641 0.35580319 0.05538121  0.00287397  0.03922011  135 LEU   A HG   
369  H  HD11 . LEU   A 23  ? 0.44852489 0.33065933 0.36669180 0.10759766  0.01428444  0.02711725  135 LEU   A HD11 
370  H  HD12 . LEU   A 23  ? 0.44998837 0.33875877 0.37088779 0.10997818  0.01215979  0.02337030  135 LEU   A HD12 
371  H  HD13 . LEU   A 23  ? 0.45135504 0.33491892 0.37103659 0.11077762  0.01542894  0.03067496  135 LEU   A HD13 
372  H  HD21 . LEU   A 23  ? 0.41113746 0.28977525 0.38725010 0.09259785  0.00619964  0.07644223  135 LEU   A HD21 
373  H  HD22 . LEU   A 23  ? 0.41741407 0.29721868 0.39293978 0.09541488  0.01021940  0.08126819  135 LEU   A HD22 
374  H  HD23 . LEU   A 23  ? 0.41566139 0.29191881 0.38924727 0.09247354  0.00804499  0.07847336  135 LEU   A HD23 
375  N  N    . GLY   A 24  ? 0.38342986 0.16249500 0.28221753 -0.05038508 0.05539445  -0.06327149 136 GLY   A N    
376  C  CA   . GLY   A 24  ? 0.43628463 0.14242010 0.30865663 -0.01481473 0.07900334  -0.00170627 136 GLY   A CA   
377  C  C    . GLY   A 24  ? 0.41144705 0.17547554 0.34417397 -0.04212577 0.07973725  -0.03797532 136 GLY   A C    
378  O  O    . GLY   A 24  ? 0.45390698 0.14874195 0.34592807 -0.01073372 0.09137852  -0.03082512 136 GLY   A O    
379  H  H    . GLY   A 24  ? 0.39053008 0.15396479 0.28136200 -0.03384985 0.05505736  -0.03981780 136 GLY   A H    
380  H  HA2  . GLY   A 24  ? 0.42506185 0.15383850 0.30802381 -0.02719503 0.07364050  -0.02166511 136 GLY   A HA2  
381  H  HA3  . GLY   A 24  ? 0.41997665 0.15357676 0.30571249 -0.02671742 0.07272054  -0.02103099 136 GLY   A HA3  
382  N  N    . THR   A 25  ? 0.39526692 0.16709322 0.32291389 -0.04460798 0.03533336  -0.00343892 137 THR   A N    
383  C  CA   . THR   A 25  ? 0.41659021 0.22866023 0.35644272 0.00898890  0.02859183  -0.03642107 137 THR   A CA   
384  C  C    . THR   A 25  ? 0.39807773 0.05088410 0.35414749 -0.03977781 0.04390611  -0.04774314 137 THR   A C    
385  O  O    . THR   A 25  ? 0.46149126 0.12097888 0.37961811 -0.01535574 0.06985049  -0.05654939 137 THR   A O    
386  C  CB   . THR   A 25  ? 0.45235199 0.17584254 0.40459695 0.00023215  -0.00489776 -0.03390089 137 THR   A CB   
387  O  OG1  . THR   A 25  ? 0.46063197 0.17655519 0.43395382 -0.01000551 -0.01187564 -0.02294813 137 THR   A OG1  
388  C  CG2  . THR   A 25  ? 0.50564474 0.14159371 0.42376521 -0.01231908 -0.04763718 -0.02773267 137 THR   A CG2  
389  H  H    . THR   A 25  ? 0.40191653 0.17850727 0.32868820 -0.03449414 0.04497913  -0.01562085 137 THR   A H    
390  H  HA   . THR   A 25  ? 0.41711149 0.17397937 0.36182478 -0.00761324 0.02673160  -0.03226165 137 THR   A HA   
391  H  HB   . THR   A 25  ? 0.45666897 0.17947729 0.40455523 -0.00125265 -0.00646121 -0.03080518 137 THR   A HB   
392  H  HG1  . THR   A 25  ? 0.36107069 0.36107069 0.36107069 0.00000000  0.00000000  0.00000000  137 THR   A HG1  
393  H  HG21 . THR   A 25  ? 0.49238950 0.14999288 0.41914636 -0.00921319 -0.03698574 -0.02931848 137 THR   A HG21 
394  H  HG22 . THR   A 25  ? 0.49406123 0.15027873 0.42166781 -0.00838056 -0.03940859 -0.03044506 137 THR   A HG22 
395  H  HG23 . THR   A 25  ? 0.49108496 0.14832605 0.41782218 -0.00863960 -0.03735006 -0.02855164 137 THR   A HG23 
396  N  N    . VAL   A 26  ? 0.35425067 0.14389029 0.31784374 -0.01850018 0.00877365  -0.03261181 138 VAL   A N    
397  C  CA   . VAL   A 26  ? 0.36918759 0.18270385 0.32315668 -0.02578670 -0.03222261 -0.02852756 138 VAL   A CA   
398  C  C    . VAL   A 26  ? 0.38803059 0.18961567 0.37193012 -0.02978856 -0.03660010 -0.02916047 138 VAL   A C    
399  O  O    . VAL   A 26  ? 0.44999737 0.17940705 0.36299890 -0.01334587 -0.04127620 -0.04634773 138 VAL   A O    
400  C  CB   . VAL   A 26  ? 0.36659962 0.23335117 0.33625224 -0.03039576 -0.02053707 -0.04600251 138 VAL   A CB   
401  C  CG1  . VAL   A 26  ? 0.38239810 0.26054880 0.34680894 -0.02926317 0.00475634  -0.03513097 138 VAL   A CG1  
402  C  CG2  . VAL   A 26  ? 0.38124710 0.24240437 0.41255480 -0.02045400 0.01211029  -0.03668886 138 VAL   A CG2  
403  H  H    . VAL   A 26  ? 0.36733609 0.13314773 0.32418349 -0.02427446 0.01057782  -0.03331666 138 VAL   A H    
404  H  HA   . VAL   A 26  ? 0.37040368 0.18132621 0.32851091 -0.02533901 -0.02324616 -0.03363643 138 VAL   A HA   
405  H  HB   . VAL   A 26  ? 0.37251025 0.22772078 0.33807245 -0.02777169 -0.01459019 -0.04235100 138 VAL   A HB   
406  H  HG11 . VAL   A 26  ? 0.37862346 0.25325236 0.34729454 -0.02852657 -0.00173274 -0.03665663 138 VAL   A HG11 
407  H  HG12 . VAL   A 26  ? 0.38158458 0.25413835 0.34670058 -0.02600208 -0.00217531 -0.03774890 138 VAL   A HG12 
408  H  HG13 . VAL   A 26  ? 0.37828135 0.25297633 0.34508571 -0.02854168 -0.00172704 -0.03744162 138 VAL   A HG13 
409  H  HG21 . VAL   A 26  ? 0.37789860 0.24028516 0.39306200 -0.02279831 0.00483091  -0.03818794 138 VAL   A HG21 
410  H  HG22 . VAL   A 26  ? 0.37971541 0.23965615 0.39416426 -0.02451657 0.00682811  -0.04010477 138 VAL   A HG22 
411  H  HG23 . VAL   A 26  ? 0.37778443 0.24195364 0.40036708 -0.02263023 0.00519510  -0.03463067 138 VAL   A HG23 
412  N  N    . LYS   A 27  ? 0.42195630 0.06898717 0.38475078 -0.01562470 -0.03452350 -0.03668431 139 LYS   A N    
413  C  CA   . LYS   A 27  ? 0.46753713 0.10809460 0.42246008 -0.07087637 -0.02625032 -0.05341400 139 LYS   A CA   
414  C  C    . LYS   A 27  ? 0.48338646 0.17741847 0.45943069 -0.01471729 -0.02884251 -0.04970722 139 LYS   A C    
415  O  O    . LYS   A 27  ? 0.50188076 0.18259731 0.40790042 -0.03103280 -0.01574272 -0.07340800 139 LYS   A O    
416  C  CB   . LYS   A 27  ? 0.50423795 0.22173671 0.46394286 -0.05929851 -0.01435896 -0.02635636 139 LYS   A CB   
417  C  CG   . LYS   A 27  ? 0.55280340 0.28037888 0.52774173 -0.03937715 0.00381526  -0.02056298 139 LYS   A CG   
418  C  CD   . LYS   A 27  ? 0.64964271 0.40236202 0.59604019 -0.06514046 0.00750601  0.01087116  139 LYS   A CD   
419  C  CE   . LYS   A 27  ? 0.72469324 0.43260673 0.64169067 -0.05781363 0.06100683  -0.00768117 139 LYS   A CE   
420  N  NZ   . LYS   A 27  ? 0.77942127 0.51187986 0.68516135 -0.11754843 0.06757836  0.00850812  139 LYS   A NZ   
421  H  H    . LYS   A 27  ? 0.42401370 0.10060805 0.38696963 -0.02830201 -0.03399824 -0.03886298 139 LYS   A H    
422  H  HA   . LYS   A 27  ? 0.46826586 0.12292215 0.42733586 -0.04840732 -0.02512415 -0.04571630 139 LYS   A HA   
423  H  HB2  . LYS   A 27  ? 0.50201446 0.20340182 0.46224880 -0.05683618 -0.01263801 -0.03074759 139 LYS   A HB2  
424  H  HB3  . LYS   A 27  ? 0.50355202 0.21290991 0.46387464 -0.05180087 -0.01267612 -0.03150079 139 LYS   A HB3  
425  H  HG2  . LYS   A 27  ? 0.55455482 0.28028345 0.52118462 -0.04612437 0.00165685  -0.01728031 139 LYS   A HG2  
426  H  HG3  . LYS   A 27  ? 0.55358696 0.28280893 0.52052897 -0.04466632 0.00101404  -0.01670598 139 LYS   A HG3  
427  H  HD2  . LYS   A 27  ? 0.63691992 0.38093340 0.58741015 -0.05744367 0.01686354  0.00331137  139 LYS   A HD2  
428  H  HD3  . LYS   A 27  ? 0.63469952 0.39264163 0.58544397 -0.05480269 0.01606342  0.00497533  139 LYS   A HD3  
429  H  HE2  . LYS   A 27  ? 0.72291249 0.43837234 0.64017028 -0.06603587 0.05500366  -0.00028950 139 LYS   A HE2  
430  H  HE3  . LYS   A 27  ? 0.71788442 0.43570024 0.63784242 -0.06772960 0.05224304  -0.00142461 139 LYS   A HE3  
431  H  HZ1  . LYS   A 27  ? 0.76512539 0.50321138 0.67290103 -0.10225578 0.06536792  0.00345059  139 LYS   A HZ1  
432  H  HZ2  . LYS   A 27  ? 0.76725805 0.49289751 0.67347711 -0.10114685 0.06707729  0.00595534  139 LYS   A HZ2  
433  H  HZ3  . LYS   A 27  ? 0.77339238 0.49485451 0.67405176 -0.10654619 0.06252617  0.00656613  139 LYS   A HZ3  
434  N  N    A PRO   A 28  ? 0.52963024 0.17287438 0.47133917 -0.04947124 -0.02905577 -0.02567548 140 PRO   A N    
435  N  N    B PRO   A 28  ? 0.52472347 0.08972122 0.54145956 0.03691741  0.00487099  -0.09185757 140 PRO   A N    
436  C  CA   A PRO   A 28  ? 0.56294984 0.14904518 0.50021911 -0.04172572 -0.02007925 -0.03515892 140 PRO   A CA   
437  C  CA   B PRO   A 28  ? 0.57214946 0.05897637 0.57282031 0.03174199  0.01419877  -0.10484767 140 PRO   A CA   
438  C  C    A PRO   A 28  ? 0.60092366 0.13354638 0.45545399 -0.03193404 -0.02344347 -0.05114044 140 PRO   A C    
439  C  C    B PRO   A 28  ? 0.55117673 0.07208472 0.59567064 0.00835571  0.01337176  -0.11667575 140 PRO   A C    
440  O  O    A PRO   A 28  ? 0.72347867 0.01487773 0.46055216 -0.00603743 0.04512033  -0.06230035 140 PRO   A O    
441  O  O    B PRO   A 28  ? 0.52573586 0.10058600 0.63688105 -0.03816648 0.01936799  -0.14022394 140 PRO   A O    
442  C  CB   A PRO   A 28  ? 0.56467205 0.17744662 0.51900679 -0.05897183 -0.03847533 -0.01953288 140 PRO   A CB   
443  C  CB   B PRO   A 28  ? 0.56005979 0.12499106 0.60341603 0.04332718  -0.00185366 -0.10815147 140 PRO   A CB   
444  C  CG   A PRO   A 28  ? 0.54890984 0.15881421 0.52190721 -0.05794760 -0.04408289 -0.00927963 140 PRO   A CG   
445  C  CG   B PRO   A 28  ? 0.56006879 0.05757547 0.59405863 0.09286225  -0.01420128 -0.08742439 140 PRO   A CG   
446  C  CD   A PRO   A 28  ? 0.55008775 0.21585211 0.50436085 -0.04630070 -0.03927362 -0.01975009 140 PRO   A CD   
447  C  CD   B PRO   A 28  ? 0.54054165 0.06237074 0.57573754 0.08927557  0.00268558  -0.09387653 140 PRO   A CD   
448  H  HA   A PRO   A 28  ? 0.56181967 0.15751694 0.49429524 -0.04292153 -0.02362977 -0.03392833 140 PRO   A HA   
449  H  HA   B PRO   A 28  ? 0.56034762 0.07657552 0.57353371 0.03095722  0.01107965  -0.10402549 140 PRO   A HA   
450  H  HB2  A PRO   A 28  ? 0.56270182 0.17081654 0.51765388 -0.05528956 -0.03556857 -0.02343637 140 PRO   A HB2  
451  H  HB2  B PRO   A 28  ? 0.56433225 0.12146275 0.59804505 0.04509719  0.00043397  -0.10860348 140 PRO   A HB2  
452  H  HB3  A PRO   A 28  ? 0.56268150 0.16784683 0.51826429 -0.05499552 -0.03596376 -0.02115943 140 PRO   A HB3  
453  H  HB3  B PRO   A 28  ? 0.56346112 0.10284631 0.59941608 0.04955540  0.00016995  -0.10536727 140 PRO   A HB3  
454  H  HG2  A PRO   A 28  ? 0.54904532 0.16921446 0.51842612 -0.05881189 -0.04105560 -0.01037621 140 PRO   A HG2  
455  H  HG2  B PRO   A 28  ? 0.55711877 0.07103032 0.59101337 0.08427702  -0.00912049 -0.08963476 140 PRO   A HG2  
456  H  HG3  A PRO   A 28  ? 0.55125576 0.17152503 0.51789641 -0.05612018 -0.04254594 -0.01095640 140 PRO   A HG3  
457  H  HG3  B PRO   A 28  ? 0.55792445 0.07133293 0.59238583 0.08446327  -0.00865985 -0.09006055 140 PRO   A HG3  
458  H  HD2  A PRO   A 28  ? 0.54646522 0.19891965 0.50389683 -0.04899062 -0.03784081 -0.02060721 140 PRO   A HD2  
459  H  HD2  B PRO   A 28  ? 0.53841585 0.07034714 0.56705040 0.07621220  0.00034414  -0.09158557 140 PRO   A HD2  
460  H  HD3  A PRO   A 28  ? 0.54725081 0.20152587 0.50085115 -0.05198492 -0.03655693 -0.02068300 140 PRO   A HD3  
461  H  HD3  B PRO   A 28  ? 0.53985441 0.06826774 0.57095057 0.07858931  0.00036988  -0.09252135 140 PRO   A HD3  
462  N  N    A ASN   A 29  ? 0.61842316 0.14041138 0.44727114 -0.03472541 -0.01709449 -0.09591637 141 ASN   A N    
463  N  N    B ASN   A 29  ? 0.57963914 0.09351020 0.62535322 0.03935677  0.03612986  -0.08709179 141 ASN   A N    
464  C  CA   A ASN   A 29  ? 0.63073093 0.20799570 0.51248324 0.01324609  -0.02424470 -0.08164818 141 ASN   A CA   
465  C  CA   B ASN   A 29  ? 0.58974576 0.09676814 0.65668362 0.00678639  0.01913282  -0.07265171 141 ASN   A CA   
466  C  C    A ASN   A 29  ? 0.60296375 0.16498196 0.57311469 0.02053509  -0.02740881 -0.05248161 141 ASN   A C    
467  C  C    B ASN   A 29  ? 0.57122612 0.12841438 0.64919513 0.03273626  0.00276937  -0.07176250 141 ASN   A C    
468  O  O    A ASN   A 29  ? 0.62667060 0.18763320 0.60590249 0.05701524  -0.01088142 -0.03152987 141 ASN   A O    
469  O  O    B ASN   A 29  ? 0.54776996 0.04625146 0.66621917 0.05272472  0.05862294  -0.06150286 141 ASN   A O    
470  C  CB   A ASN   A 29  ? 0.68254900 0.22913465 0.52780622 0.02240560  -0.00572933 -0.08781217 141 ASN   A CB   
471  C  CB   B ASN   A 29  ? 0.62479585 0.04842818 0.72205156 -0.02721259 0.01954044  -0.11742611 141 ASN   A CB   
472  C  CG   A ASN   A 29  ? 0.71295005 0.24321438 0.57834929 0.04077236  -0.04693575 -0.08986922 141 ASN   A CG   
473  C  CG   B ASN   A 29  ? 0.66782439 0.05703761 0.75005263 -0.02806558 0.02710347  -0.11500046 141 ASN   A CG   
474  O  OD1  A ASN   A 29  ? 0.73120266 0.29760545 0.55890417 0.01741650  -0.06167237 -0.09516123 141 ASN   A OD1  
475  O  OD1  B ASN   A 29  ? 0.67110097 0.02415737 0.79506814 -0.02161262 0.04547103  -0.11745909 141 ASN   A OD1  
476  N  ND2  A ASN   A 29  ? 0.74477667 0.16213351 0.60939711 0.09671795  -0.05541131 -0.08216377 141 ASN   A ND2  
477  N  ND2  B ASN   A 29  ? 0.71890819 0.12954637 0.80490458 -0.07465708 0.01561512  -0.08121420 141 ASN   A ND2  
478  H  H    A ASN   A 29  ? 0.61617082 0.14762318 0.45894882 -0.02590622 -0.01744653 -0.08369081 141 ASN   A H    
479  H  H    B ASN   A 29  ? 0.57509905 0.08960002 0.62302411 0.02723871  0.02898914  -0.09040355 141 ASN   A H    
480  H  HA   A ASN   A 29  ? 0.63131428 0.19470029 0.51144207 0.00750622  -0.02071740 -0.07866807 141 ASN   A HA   
481  H  HA   B ASN   A 29  ? 0.59023589 0.09465829 0.65996665 0.01091184  0.01955828  -0.08131494 141 ASN   A HA   
482  H  HB2  A ASN   A 29  ? 0.67659807 0.22596961 0.53189558 0.02551863  -0.01349884 -0.08762683 141 ASN   A HB2  
483  H  HB2  B ASN   A 29  ? 0.62833881 0.05808292 0.71685380 -0.02035593 0.02094503  -0.10657921 141 ASN   A HB2  
484  H  HB3  A ASN   A 29  ? 0.67964774 0.22657739 0.53408843 0.02417464  -0.01226855 -0.08799512 141 ASN   A HB3  
485  H  HB3  B ASN   A 29  ? 0.62873966 0.05826632 0.71669346 -0.02078020 0.02203570  -0.10682258 141 ASN   A HB3  
486  H  HD21 A ASN   A 29  ? 0.73729092 0.18043959 0.60119838 0.08433192  -0.05139768 -0.08270457 141 ASN   A HD21 
487  H  HD21 B ASN   A 29  ? 0.70771223 0.10694940 0.79829109 -0.06002546 0.01598425  -0.08824103 141 ASN   A HD21 
488  H  HD22 A ASN   A 29  ? 0.73708576 0.17921346 0.60098344 0.08382178  -0.05209841 -0.08438906 141 ASN   A HD22 
489  H  HD22 B ASN   A 29  ? 0.70731920 0.11161679 0.79922718 -0.05796110 0.02044280  -0.08320157 141 ASN   A HD22 
490  N  N    . ALA   A 30  ? 0.55274099 0.15135734 0.60038531 0.00243115  -0.04555294 -0.07916552 142 ALA   A N    
491  C  CA   . ALA   A 30  ? 0.55858320 0.12689956 0.55483252 0.03559258  -0.03264958 -0.07810545 142 ALA   A CA   
492  C  C    . ALA   A 30  ? 0.53054827 0.10870273 0.50698173 0.04101364  -0.00926208 -0.10331090 142 ALA   A C    
493  O  O    . ALA   A 30  ? 0.47733504 0.17203638 0.51834065 0.02328508  -0.02328927 -0.15352878 142 ALA   A O    
494  C  CB   . ALA   A 30  ? 0.55909997 0.09072508 0.53906393 0.07510281  -0.01969793 -0.08922408 142 ALA   A CB   
495  H  H    . ALA   A 30  ? 0.56497574 0.14431037 0.59555215 0.01588571  -0.03176804 -0.07426923 142 ALA   A H    
496  H  HA   . ALA   A 30  ? 0.55450130 0.12019755 0.55179250 0.03691857  -0.03125501 -0.08320123 142 ALA   A HA   
497  H  HB1  . ALA   A 30  ? 0.55488437 0.10285405 0.53890914 0.06378917  -0.02163619 -0.08565136 142 ALA   A HB1  
498  H  HB2  . ALA   A 30  ? 0.55735630 0.10077404 0.54084480 0.06490855  -0.02106971 -0.08626794 142 ALA   A HB2  
499  H  HB3  . ALA   A 30  ? 0.55751067 0.10018378 0.54113311 0.06447868  -0.02196395 -0.08684705 142 ALA   A HB3  
500  N  N    . ASN   A 31  ? 0.53911799 0.02969716 0.46803373 0.01455449  -0.02590565 -0.02112650 143 ASN   A N    
501  C  CA   . ASN   A 31  ? 0.53303379 0.09436549 0.52352047 -0.02217831 -0.04335882 -0.04464189 143 ASN   A CA   
502  C  C    . ASN   A 31  ? 0.44661966 0.08334316 0.49278304 -0.00691117 -0.01719927 -0.03415145 143 ASN   A C    
503  O  O    . ASN   A 31  ? 0.42813125 0.09307714 0.50006819 0.04465015  -0.01026235 -0.04105937 143 ASN   A O    
504  C  CB   . ASN   A 31  ? 0.53387707 0.09485687 0.55924064 -0.03395580 -0.01967570 0.01185572  143 ASN   A CB   
505  C  CG   . ASN   A 31  ? 0.70844066 0.16248304 0.68722457 -0.06937097 -0.05397689 -0.03981007 143 ASN   A CG   
506  O  OD1  . ASN   A 31  ? 0.90535641 0.18907169 0.66964036 0.03881401  -0.03678403 0.00334435  143 ASN   A OD1  
507  N  ND2  . ASN   A 31  ? 0.79090154 0.12680286 0.83495945 -0.03095544 -0.01819170 0.03215015  143 ASN   A ND2  
508  H  H    . ASN   A 31  ? 0.53613842 0.05963484 0.48643792 0.01344073  -0.02507301 -0.04116211 143 ASN   A H    
509  H  HA   . ASN   A 31  ? 0.52364284 0.08378454 0.51682800 -0.01533539 -0.03534707 -0.02798565 143 ASN   A HA   
510  H  HB2  . ASN   A 31  ? 0.55510670 0.10446982 0.56817788 -0.03414151 -0.02570069 -0.00767614 143 ASN   A HB2  
511  H  HB3  . ASN   A 31  ? 0.55033904 0.10522620 0.56805617 -0.03508257 -0.02982095 -0.00630974 143 ASN   A HB3  
512  H  HD21 . ASN   A 31  ? 0.76261818 0.14618343 0.79465628 -0.04312423 -0.03170010 0.02304436  143 ASN   A HD21 
513  H  HD22 . ASN   A 31  ? 0.76535118 0.14452665 0.78890914 -0.03901800 -0.02774239 0.01655087  143 ASN   A HD22 
514  N  N    . ARG   A 32  ? 0.44710556 0.09937844 0.43956608 0.00560688  -0.02593687 -0.02588601 144 ARG   A N    
515  C  CA   . ARG   A 32  ? 0.40015560 0.12692922 0.43068218 -0.01023005 -0.02283706 -0.04909594 144 ARG   A CA   
516  C  C    . ARG   A 32  ? 0.36922017 0.14849614 0.41276440 -0.01751086 -0.00301921 -0.04288046 144 ARG   A C    
517  O  O    . ARG   A 32  ? 0.40425712 0.13891919 0.49160424 -0.05944166 0.03027791  -0.07772113 144 ARG   A O    
518  C  CB   . ARG   A 32  ? 0.47950965 0.08084183 0.46991158 -0.02068441 -0.03781500 -0.08180062 144 ARG   A CB   
519  C  CG   . ARG   A 32  ? 0.55626738 0.20013085 0.50096005 0.01506302  -0.01588669 -0.05288591 144 ARG   A CG   
520  C  CD   . ARG   A 32  ? 0.65794683 0.19060856 0.53854024 0.02988335  -0.01238789 0.01532947  144 ARG   A CD   
521  N  NE   . ARG   A 32  ? 0.79027987 0.40851933 0.55760688 0.01623872  0.01172834  0.03942480  144 ARG   A NE   
522  C  CZ   . ARG   A 32  ? 0.80218792 0.39073843 0.56988257 0.03718237  0.03572869  0.06169496  144 ARG   A CZ   
523  N  NH1  . ARG   A 32  ? 0.78493434 0.42621827 0.58657545 0.16028596  0.01217864  0.08060941  144 ARG   A NH1  
524  N  NH2  . ARG   A 32  ? 0.86347032 0.25838938 0.69070065 0.06921561  0.10053152  0.00064154  144 ARG   A NH2  
525  H  H    . ARG   A 32  ? 0.44397256 0.10210441 0.44923478 0.00152175  -0.02328371 -0.03185950 144 ARG   A H    
526  H  HA   . ARG   A 32  ? 0.41105884 0.12089899 0.43379769 -0.00941355 -0.01961425 -0.04777420 144 ARG   A HA   
527  H  HB2  . ARG   A 32  ? 0.46914446 0.08302768 0.46389806 -0.02223577 -0.03358118 -0.07589880 144 ARG   A HB2  
528  H  HB3  . ARG   A 32  ? 0.47305676 0.10236323 0.46602070 -0.01419192 -0.03101268 -0.07001933 144 ARG   A HB3  
529  H  HG2  . ARG   A 32  ? 0.55250102 0.17869245 0.49898207 0.01650493  -0.01560684 -0.04175929 144 ARG   A HG2  
530  H  HG3  . ARG   A 32  ? 0.55260533 0.17718507 0.49706984 0.00693827  -0.01845871 -0.04442190 144 ARG   A HG3  
531  H  HD2  . ARG   A 32  ? 0.64771712 0.21470055 0.53773969 0.02636712  -0.00768225 0.00553367  144 ARG   A HD2  
532  H  HD3  . ARG   A 32  ? 0.64520019 0.21068159 0.53786939 0.03238820  -0.00626999 0.00579795  144 ARG   A HD3  
533  H  HE   . ARG   A 32  ? 0.76995391 0.34847757 0.55797464 0.02862139  0.01867974  0.04139329  144 ARG   A HE   
534  H  HH11 . ARG   A 32  ? 0.79065841 0.41149238 0.58498996 0.12778285  0.01955821  0.07307789  144 ARG   A HH11 
535  H  HH12 . ARG   A 32  ? 0.79050893 0.40902591 0.58417767 0.12696846  0.01636617  0.07239921  144 ARG   A HH12 
536  H  HH21 . ARG   A 32  ? 0.85049796 0.29874626 0.67969710 0.06519216  0.08832711  0.01659362  144 ARG   A HH21 
537  H  HH22 . ARG   A 32  ? 0.85750890 0.29819170 0.66575795 0.06468140  0.09055625  0.01828636  144 ARG   A HH22 
538  N  N    . ILE   A 33  ? 0.35882232 0.11233823 0.38555038 0.00772709  0.02867623  -0.01421531 145 ILE   A N    
539  C  CA   . ILE   A 33  ? 0.36989892 0.14478251 0.34416145 0.03232349  -0.00959738 -0.04923909 145 ILE   A CA   
540  C  C    . ILE   A 33  ? 0.34071898 0.12308428 0.36047769 0.01358777  -0.00278108 -0.03884629 145 ILE   A C    
541  O  O    . ILE   A 33  ? 0.36203456 0.05987044 0.36798641 0.00898578  0.01299067  -0.02385767 145 ILE   A O    
542  C  CB   . ILE   A 33  ? 0.44475716 0.11871156 0.36821538 0.09493429  -0.02964161 -0.08148191 145 ILE   A CB   
543  C  CG1  . ILE   A 33  ? 0.51371980 0.15739152 0.43582648 0.06239580  -0.06322719 -0.08620571 145 ILE   A CG1  
544  C  CG2  . ILE   A 33  ? 0.44897828 0.13239461 0.38771093 0.11339336  -0.01694636 -0.07214871 145 ILE   A CG2  
545  C  CD1  . ILE   A 33  ? 0.56723493 0.22368497 0.42249787 0.06706194  -0.05732991 -0.12843293 145 ILE   A CD1  
546  H  H    . ILE   A 33  ? 0.35963672 0.12677686 0.38337865 0.00712174  0.01514100  -0.02749616 145 ILE   A H    
547  H  HA   . ILE   A 33  ? 0.37242404 0.13216414 0.35858810 0.03331110  -0.00437684 -0.04590227 145 ILE   A HA   
548  H  HB   . ILE   A 33  ? 0.44347206 0.13261028 0.37605113 0.08333056  -0.02943641 -0.07442427 145 ILE   A HB   
549  H  HG12 . ILE   A 33  ? 0.51002967 0.15914834 0.41885471 0.06936616  -0.05426194 -0.09017145 145 ILE   A HG12 
550  H  HG13 . ILE   A 33  ? 0.50692052 0.16212186 0.41877764 0.06741437  -0.05286843 -0.09059423 145 ILE   A HG13 
551  H  HG21 . ILE   A 33  ? 0.44862837 0.12997302 0.38439122 0.10781077  -0.01938699 -0.07472787 145 ILE   A HG21 
552  H  HG22 . ILE   A 33  ? 0.44813293 0.12923728 0.38325316 0.10825392  -0.01943354 -0.07406075 145 ILE   A HG22 
553  H  HG23 . ILE   A 33  ? 0.44837582 0.13132559 0.38456503 0.10911082  -0.01760517 -0.07191760 145 ILE   A HG23 
554  H  HD11 . ILE   A 33  ? 0.55742389 0.20914468 0.42653593 0.06652664  -0.05934171 -0.11667877 145 ILE   A HD11 
555  H  HD12 . ILE   A 33  ? 0.55387682 0.20923832 0.42619368 0.06612366  -0.05801608 -0.11639492 145 ILE   A HD12 
556  H  HD13 . ILE   A 33  ? 0.55562097 0.21684736 0.42574522 0.06162959  -0.05715989 -0.11686909 145 ILE   A HD13 
557  N  N    . ALA   A 34  ? 0.33005673 0.08784910 0.38915935 -0.00916603 -0.00318757 -0.05721211 146 ALA   A N    
558  C  CA   . ALA   A 34  ? 0.32987124 0.07753496 0.36824441 0.02004840  -0.01754019 -0.03534108 146 ALA   A CA   
559  C  C    . ALA   A 34  ? 0.29589438 0.09844391 0.34231037 0.03780761  -0.01092866 0.00260888  146 ALA   A C    
560  O  O    . ALA   A 34  ? 0.33263889 0.12797931 0.37714523 0.01470983  0.00093914  -0.05556466 146 ALA   A O    
561  C  CB   . ALA   A 34  ? 0.33150092 0.06792811 0.40782768 0.04199288  -0.03971216 -0.03045741 146 ALA   A CB   
562  H  H    . ALA   A 34  ? 0.33045891 0.09316561 0.37923142 0.00262785  -0.00560394 -0.04843117 146 ALA   A H    
563  H  HA   . ALA   A 34  ? 0.32670581 0.08094202 0.37332171 0.02183128  -0.01698558 -0.03182283 146 ALA   A HA   
564  H  HB1  . ALA   A 34  ? 0.33043677 0.06736270 0.39715621 0.03986446  -0.03356249 -0.03145853 146 ALA   A HB1  
565  H  HB2  . ALA   A 34  ? 0.33374113 0.07051957 0.39744973 0.03784908  -0.03499340 -0.03174178 146 ALA   A HB2  
566  H  HB3  . ALA   A 34  ? 0.33177352 0.07138242 0.39754850 0.03791517  -0.03340318 -0.03079707 146 ALA   A HB3  
567  N  N    . LEU   A 35  ? 0.34117454 0.09840053 0.33586007 0.03416426  0.01020196  -0.05164646 147 LEU   A N    
568  C  CA   . LEU   A 35  ? 0.37202901 0.08716933 0.31688604 0.03496955  0.00701000  -0.04026380 147 LEU   A CA   
569  C  C    . LEU   A 35  ? 0.34021574 0.08278820 0.34290060 -0.00106703 -0.00751016 0.00036542  147 LEU   A C    
570  O  O    . LEU   A 35  ? 0.35530403 0.07889592 0.36008471 -0.01275045 0.01571018  -0.03067665 147 LEU   A O    
571  C  CB   . LEU   A 35  ? 0.37684417 0.12869637 0.36437804 0.05409509  0.01169567  0.00360204  147 LEU   A CB   
572  C  CG   . LEU   A 35  ? 0.47292233 0.23184720 0.36824924 0.04811795  0.02206729  0.03367553  147 LEU   A CG   
573  C  CD1  . LEU   A 35  ? 0.53438175 0.28226131 0.42560476 0.09671430  0.02468616  0.07804690  147 LEU   A CD1  
574  C  CD2  . LEU   A 35  ? 0.51940703 0.35745743 0.40083843 0.03491203  0.03224801  0.07339659  147 LEU   A CD2  
575  H  H    . LEU   A 35  ? 0.33687153 0.09590907 0.33431175 0.03510211  0.00514614  -0.03759189 147 LEU   A H    
576  H  HA   . LEU   A 35  ? 0.36542684 0.09424333 0.33165488 0.03150123  0.00518118  -0.02906113 147 LEU   A HA   
577  H  HB2  . LEU   A 35  ? 0.38322213 0.13081005 0.35272965 0.04865659  0.01343365  -0.00015299 147 LEU   A HB2  
578  H  HB3  . LEU   A 35  ? 0.38699740 0.13017054 0.35317561 0.05001488  0.01337381  -0.00065237 147 LEU   A HB3  
579  H  HG   . LEU   A 35  ? 0.46226567 0.22869428 0.37897775 0.05399384  0.02211955  0.04061338  147 LEU   A HG   
580  H  HD11 . LEU   A 35  ? 0.52494293 0.26772550 0.40970361 0.08435795  0.02387592  0.06697420  147 LEU   A HD11 
581  H  HD12 . LEU   A 35  ? 0.51933748 0.26834249 0.41645449 0.08375390  0.02863896  0.06859989  147 LEU   A HD12 
582  H  HD13 . LEU   A 35  ? 0.51793712 0.27287656 0.41064158 0.08010516  0.02346502  0.06990448  147 LEU   A HD13 
583  H  HD21 . LEU   A 35  ? 0.50433755 0.32629561 0.39684221 0.03937243  0.02889469  0.05783125  147 LEU   A HD21 
584  H  HD22 . LEU   A 35  ? 0.50881213 0.33290458 0.39694074 0.03103387  0.02647384  0.06871946  147 LEU   A HD22 
585  H  HD23 . LEU   A 35  ? 0.50645822 0.32194430 0.39904588 0.03860166  0.03204864  0.06442496  147 LEU   A HD23 
586  N  N    . ASP   A 36  ? 0.35402018 0.07257310 0.36181405 0.00429906  -0.01314411 -0.01028282 148 ASP   A N    
587  C  CA   . ASP   A 36  ? 0.34926936 0.12407720 0.35381544 0.01580447  -0.00007962 -0.03521353 148 ASP   A CA   
588  C  C    . ASP   A 36  ? 0.33528799 0.11610126 0.34912628 -0.00197268 0.01276088  -0.01046080 148 ASP   A C    
589  O  O    . ASP   A 36  ? 0.35259128 0.04841973 0.37584239 0.02461802  0.01288521  -0.01072127 148 ASP   A O    
590  C  CB   . ASP   A 36  ? 0.41513065 0.07458644 0.39010817 -0.01173738 -0.00934433 -0.03226499 148 ASP   A CB   
591  C  CG   . ASP   A 36  ? 0.43869001 0.10719344 0.39054337 0.01184819  -0.03093342 -0.04208519 148 ASP   A CG   
592  O  OD1  . ASP   A 36  ? 0.50426537 0.17031336 0.47654831 -0.01487442 -0.06238805 -0.07127912 148 ASP   A OD1  
593  O  OD2  . ASP   A 36  ? 0.49530554 0.27097550 0.48257762 -0.11361515 -0.06186698 -0.05039732 148 ASP   A OD2  
594  H  H    . ASP   A 36  ? 0.35241491 0.08434841 0.35593808 0.00590588  -0.00876419 -0.01267466 148 ASP   A H    
595  H  HA   . ASP   A 36  ? 0.35330844 0.10630640 0.35970017 0.00704170  -0.00020491 -0.02608903 148 ASP   A HA   
596  H  HB2  . ASP   A 36  ? 0.40865907 0.09265929 0.38382903 -0.00079812 -0.01096165 -0.03460763 148 ASP   A HB2  
597  H  HB3  . ASP   A 36  ? 0.40757358 0.09309798 0.38423073 -0.00075514 -0.01063912 -0.03433435 148 ASP   A HB3  
598  N  N    . PHE   A 37  ? 0.33784580 0.08167105 0.31433585 0.00721393  0.01826195  -0.03997594 149 PHE   A N    
599  C  CA   . PHE   A 37  ? 0.35735342 0.08401270 0.28580862 0.04129855  0.01464454  -0.00603566 149 PHE   A CA   
600  C  C    . PHE   A 37  ? 0.34414494 0.00671501 0.29364145 -0.00109748 0.00225725  -0.01043952 149 PHE   A C    
601  O  O    . PHE   A 37  ? 0.36141741 0.10537214 0.29601115 0.00618823  -0.00119512 0.01170672  149 PHE   A O    
602  C  CB   . PHE   A 37  ? 0.37454635 0.10270775 0.26766357 0.03340390  0.01587481  -0.00583212 149 PHE   A CB   
603  C  CG   . PHE   A 37  ? 0.37305766 0.15955813 0.28733265 0.02506927  0.01105094  0.00746766  149 PHE   A CG   
604  C  CD1  . PHE   A 37  ? 0.38757962 0.17653142 0.29771456 0.05778331  0.00233880  -0.01545586 149 PHE   A CD1  
605  C  CD2  . PHE   A 37  ? 0.38455886 0.15856645 0.29354149 0.00239691  0.00403462  -0.01102366 149 PHE   A CD2  
606  C  CE1  . PHE   A 37  ? 0.42431831 0.22641030 0.34037375 0.07959718  -0.02224917 0.00285435  149 PHE   A CE1  
607  C  CE2  . PHE   A 37  ? 0.41269392 0.20540352 0.32086071 0.04304535  -0.00952165 -0.00795568 149 PHE   A CE2  
608  C  CZ   . PHE   A 37  ? 0.42303577 0.24832845 0.31283414 0.06739607  -0.00160632 0.00839552  149 PHE   A CZ   
609  H  H    . PHE   A 37  ? 0.33952883 0.08880011 0.31504828 0.01311366  0.01788309  -0.02727975 149 PHE   A H    
610  H  HA   . PHE   A 37  ? 0.35307577 0.06603926 0.29081637 0.02707480  0.01280045  -0.01266862 149 PHE   A HA   
611  H  HB2  . PHE   A 37  ? 0.37192291 0.10841695 0.27544591 0.03288034  0.01462678  -0.00393791 149 PHE   A HB2  
612  H  HB3  . PHE   A 37  ? 0.37180313 0.10330661 0.27458280 0.03305587  0.01461012  -0.00622119 149 PHE   A HB3  
613  H  HD1  . PHE   A 37  ? 0.38957262 0.17594075 0.29687014 0.05650931  0.00289672  -0.01117542 149 PHE   A HD1  
614  H  HD2  . PHE   A 37  ? 0.38941273 0.16955011 0.29785544 0.01292775  0.00395301  -0.00709885 149 PHE   A HD2  
615  H  HE1  . PHE   A 37  ? 0.41392222 0.21631210 0.32448176 0.07216251  -0.01288291 -0.00042349 149 PHE   A HE1  
616  H  HE2  . PHE   A 37  ? 0.40731919 0.20146848 0.31413475 0.03812489  -0.00590568 -0.00421660 149 PHE   A HE2  
617  H  HZ   . PHE   A 37  ? 0.41983664 0.23256497 0.31771895 0.06402338  -0.00657442 0.00451989  149 PHE   A HZ   
618  N  N    . GLN   A 38  ? 0.35213631 0.00875069 0.30533233 0.02380651  0.00700866  -0.01477681 150 GLN   A N    
619  C  CA   . GLN   A 38  ? 0.37013245 0.03256978 0.29303539 0.02857677  -0.00242989 -0.00577946 150 GLN   A CA   
620  C  C    . GLN   A 38  ? 0.39806011 0.08857723 0.28140211 -0.00017506 -0.01337988 -0.04505442 150 GLN   A C    
621  O  O    . GLN   A 38  ? 0.42550758 0.09762315 0.31255227 -0.00690873 -0.02565902 0.00791209  150 GLN   A O    
622  C  CB   . GLN   A 38  ? 0.44171625 0.05545270 0.32258454 0.02569646  0.02858844  -0.02543437 150 GLN   A CB   
623  C  CG   . GLN   A 38  ? 0.54468656 0.08561781 0.36609489 0.02525062  0.03381553  -0.07693341 150 GLN   A CG   
624  C  CD   . GLN   A 38  ? 0.62511694 0.23846561 0.49691802 0.02988759  -0.01823759 -0.01799372 150 GLN   A CD   
625  O  OE1  . GLN   A 38  ? 0.74862885 0.21775956 0.65978652 0.04506111  -0.17642868 -0.07762715 150 GLN   A OE1  
626  N  NE2  . GLN   A 38  ? 0.75867832 0.31678531 0.50334817 -0.02475377 -0.04265682 -0.03682860 150 GLN   A NE2  
627  H  H    . GLN   A 38  ? 0.35273764 0.00806769 0.30011046 0.02033769  0.00412073  -0.01236417 150 GLN   A H    
628  H  HA   . GLN   A 38  ? 0.37350658 0.03211157 0.29706338 0.02586026  0.00046177  -0.01554355 150 GLN   A HA   
629  H  HB2  . GLN   A 38  ? 0.43999207 0.05449327 0.32226685 0.02562105  0.02287586  -0.02903915 150 GLN   A HB2  
630  H  HB3  . GLN   A 38  ? 0.43907130 0.05504527 0.32361755 0.02633897  0.02201742  -0.02859365 150 GLN   A HB3  
631  H  HG2  . GLN   A 38  ? 0.52478725 0.09417015 0.36660737 0.02688666  0.02742406  -0.05390541 150 GLN   A HG2  
632  H  HG3  . GLN   A 38  ? 0.53177685 0.09573676 0.36955243 0.02762246  0.02779883  -0.05393344 150 GLN   A HG3  
633  H  HE21 . GLN   A 38  ? 0.71497828 0.29069281 0.49848372 -0.00762311 -0.03229959 -0.03182768 150 GLN   A HE21 
634  H  HE22 . GLN   A 38  ? 0.72165769 0.30359989 0.50786561 -0.01086834 -0.03170178 -0.03876942 150 GLN   A HE22 
635  N  N    . ARG   A 39  ? 0.37529713 0.11571445 0.27961919 -0.00621499 -0.00956040 0.00853997  151 ARG   A N    
636  C  CA   . ARG   A 39  ? 0.36929053 0.13958669 0.27979591 0.01887708  0.00152200  -0.01287161 151 ARG   A CA   
637  C  C    . ARG   A 39  ? 0.34995550 0.11893630 0.29310259 0.01605636  0.01039151  -0.02077524 151 ARG   A C    
638  O  O    . ARG   A 39  ? 0.35243848 0.13006085 0.29008737 0.00875597  0.02265396  0.02770582  151 ARG   A O    
639  C  CB   . ARG   A 39  ? 0.38047335 0.16002645 0.26243496 0.00869131  -0.01038865 -0.01128084 151 ARG   A CB   
640  C  CG   . ARG   A 39  ? 0.40993595 0.16829941 0.27010769 0.00684842  0.00123109  -0.01652327 151 ARG   A CG   
641  C  CD   . ARG   A 39  ? 0.45946625 0.20829125 0.33747000 -0.03633280 -0.00443838 -0.06034126 151 ARG   A CD   
642  N  NE   . ARG   A 39  ? 0.51667076 0.18487613 0.33727059 -0.12114751 -0.00974450 -0.02222156 151 ARG   A NE   
643  C  CZ   . ARG   A 39  ? 0.49286798 0.20698807 0.34212297 -0.10557520 -0.01820568 -0.01798580 151 ARG   A CZ   
644  N  NH1  . ARG   A 39  ? 0.51216662 0.28823331 0.36616978 -0.06397671 -0.00491248 -0.03834833 151 ARG   A NH1  
645  N  NH2  . ARG   A 39  ? 0.57686228 0.27888572 0.31849509 -0.07316183 -0.05148916 -0.04717177 151 ARG   A NH2  
646  H  H    . ARG   A 39  ? 0.38072419 0.11286057 0.28069851 -0.00094923 -0.00802517 -0.00704019 151 ARG   A H    
647  H  HA   . ARG   A 39  ? 0.36885709 0.13401081 0.27961347 0.01310863  -0.00069811 -0.00972964 151 ARG   A HA   
648  H  HB2  . ARG   A 39  ? 0.38351136 0.15660322 0.26519537 0.01031898  -0.00585390 -0.01141041 151 ARG   A HB2  
649  H  HB3  . ARG   A 39  ? 0.38360113 0.15704700 0.26706558 0.01025370  -0.00585107 -0.01227382 151 ARG   A HB3  
650  H  HG2  . ARG   A 39  ? 0.41134423 0.17159671 0.27326050 0.00069839  -0.00154750 -0.01882559 151 ARG   A HG2  
651  H  HG3  . ARG   A 39  ? 0.40930659 0.17128380 0.27825928 0.00281672  -0.00203887 -0.02103747 151 ARG   A HG3  
652  H  HD2  . ARG   A 39  ? 0.45993316 0.19884814 0.33557180 -0.04237935 -0.00325782 -0.04996417 151 ARG   A HD2  
653  H  HD3  . ARG   A 39  ? 0.46008340 0.19565131 0.32705531 -0.04230809 -0.00319336 -0.04410844 151 ARG   A HD3  
654  H  HE   . ARG   A 39  ? 0.50725865 0.20214826 0.33740410 -0.10433371 -0.01110239 -0.02911791 151 ARG   A HE   
655  H  HH11 . ARG   A 39  ? 0.50990200 0.26246607 0.36206794 -0.07573771 -0.00642532 -0.03200955 151 ARG   A HH11 
656  H  HH12 . ARG   A 39  ? 0.50661194 0.26369557 0.36187419 -0.07575688 -0.00884677 -0.02919789 151 ARG   A HH12 
657  H  HH21 . ARG   A 39  ? 0.55165333 0.25916934 0.32525840 -0.08254632 -0.04174384 -0.03714725 151 ARG   A HH21 
658  H  HH22 . ARG   A 39  ? 0.55534309 0.26159528 0.32733059 -0.08585934 -0.04016297 -0.03704802 151 ARG   A HH22 
659  N  N    . GLY   A 40  ? 0.34577572 0.06120666 0.33483937 0.01446763  0.02655031  0.02082459  152 GLY   A N    
660  C  CA   . GLY   A 40  ? 0.35527408 0.11629587 0.34603006 0.03094614  0.06203867  0.01626253  152 GLY   A CA   
661  C  C    . GLY   A 40  ? 0.38402432 0.10809502 0.32106820 0.02838823  0.00869242  0.02051620  152 GLY   A C    
662  O  O    . GLY   A 40  ? 0.40716508 0.10916117 0.32273600 0.01884822  0.00555260  0.04534846  152 GLY   A O    
663  H  H    . GLY   A 40  ? 0.34617984 0.08305206 0.32520664 0.01969943  0.02710675  0.01229083  152 GLY   A H    
664  H  HA2  . GLY   A 40  ? 0.35450312 0.10163315 0.33944067 0.02788794  0.04654878  0.01906608  152 GLY   A HA2  
665  H  HA3  . GLY   A 40  ? 0.35990706 0.10249808 0.34305984 0.02890851  0.04808573  0.02102429  152 GLY   A HA3  
666  N  N    . ASN   A 41  ? 0.38672864 0.07320453 0.29763839 0.03684565  0.02365319  0.01809017  153 ASN   A N    
667  C  CA   . ASN   A 41  ? 0.37411022 0.08497531 0.28782716 0.04188441  0.00856396  -0.00086320 153 ASN   A CA   
668  C  C    . ASN   A 41  ? 0.40235397 0.12306674 0.30040130 -0.00039996 0.03393195  0.00635834  153 ASN   A C    
669  O  O    . ASN   A 41  ? 0.44657642 0.10941739 0.34968546 -0.00071658 0.02887325  -0.01373902 153 ASN   A O    
670  C  CB   . ASN   A 41  ? 0.39551193 0.11172389 0.28708056 0.04295661  0.01793148  0.02211744  153 ASN   A CB   
671  C  CG   . ASN   A 41  ? 0.42104858 0.12268683 0.29197460 0.03627142  -0.02032610 0.02446086  153 ASN   A CG   
672  O  OD1  . ASN   A 41  ? 0.45180318 0.10616849 0.34254670 0.00048501  -0.00656808 0.02106873  153 ASN   A OD1  
673  N  ND2  . ASN   A 41  ? 0.41143608 0.18666764 0.35537574 0.01510997  0.00116420  0.04840028  153 ASN   A ND2  
674  H  H    . ASN   A 41  ? 0.38388401 0.08323817 0.30075118 0.03624997  0.01856120  0.01544858  153 ASN   A H    
675  H  HA   . ASN   A 41  ? 0.38082507 0.09169112 0.29151553 0.03278571  0.01488861  0.00664422  153 ASN   A HA   
676  H  HB2  . ASN   A 41  ? 0.39365506 0.10824549 0.28712228 0.04225757  0.01148381  0.01790978  153 ASN   A HB2  
677  H  HB3  . ASN   A 41  ? 0.39792177 0.10970053 0.28989002 0.04281708  0.01038618  0.01904609  153 ASN   A HB3  
678  H  HD21 . ASN   A 41  ? 0.41703752 0.17108917 0.33517343 0.02364361  -0.00324401 0.04276007  153 ASN   A HD21 
679  H  HD22 . ASN   A 41  ? 0.41679838 0.18253779 0.33541366 0.01753960  -0.00466330 0.04280520  153 ASN   A HD22 
680  N  N    . ASP   A 42  ? 0.37826085 0.12639651 0.30254012 -0.00893857 0.03015217  0.00280398  154 ASP   A N    
681  C  CA   . ASP   A 42  ? 0.34321675 0.10704923 0.28291246 0.00034646  0.00207487  0.00736630  154 ASP   A CA   
682  C  C    . ASP   A 42  ? 0.31433856 0.12001526 0.29405347 -0.01476130 0.00717925  -0.00570701 154 ASP   A C    
683  O  O    . ASP   A 42  ? 0.37905663 0.15847364 0.32987300 0.04776996  -0.01925395 -0.02599541 154 ASP   A O    
684  C  CB   . ASP   A 42  ? 0.37772283 0.15845609 0.27789542 -0.01796059 0.01121905  -0.02397513 154 ASP   A CB   
685  C  CG   . ASP   A 42  ? 0.42076614 0.20464146 0.30079257 -0.03540730 -0.01082296 0.02730244  154 ASP   A CG   
686  O  OD1  . ASP   A 42  ? 0.48973259 0.18890639 0.33223668 -0.01115740 0.02925268  0.04163332  154 ASP   A OD1  
687  O  OD2  . ASP   A 42  ? 0.47040412 0.18411149 0.38175240 -0.07074338 -0.01406777 0.04714054  154 ASP   A OD2  
688  H  H    . ASP   A 42  ? 0.37504745 0.12439652 0.29779336 -0.00567948 0.02407990  0.00571307  154 ASP   A H    
689  H  HA   . ASP   A 42  ? 0.34600520 0.11165126 0.28760758 0.00102774  0.00677688  0.00331984  154 ASP   A HA   
690  H  HB2  . ASP   A 42  ? 0.37770200 0.15513465 0.28237185 -0.01773403 0.00623545  -0.00764787 154 ASP   A HB2  
691  H  HB3  . ASP   A 42  ? 0.37587380 0.15380332 0.28041345 -0.01703282 0.00748153  -0.00774428 154 ASP   A HB3  
692  N  N    . VAL   A 43  ? 0.30829990 0.09084033 0.31618738 0.02659322  -0.02051763 0.01068835  155 VAL   A N    
693  C  CA   . VAL   A 43  ? 0.34442669 0.07186355 0.31781042 0.02706203  0.00530148  -0.03224300 155 VAL   A CA   
694  C  C    . VAL   A 43  ? 0.31752464 0.06817850 0.31457946 0.01109378  -0.01141971 -0.03569059 155 VAL   A C    
695  O  O    . VAL   A 43  ? 0.33145419 0.12380049 0.29961437 -0.01872594 -0.00414160 -0.01667935 155 VAL   A O    
696  C  CB   . VAL   A 43  ? 0.35100538 0.05852590 0.30364242 0.00176316  0.00728750  -0.01181610 155 VAL   A CB   
697  C  CG1  . VAL   A 43  ? 0.34490287 0.06947178 0.31874245 -0.01062909 -0.00733102 -0.05641909 155 VAL   A CG1  
698  C  CG2  . VAL   A 43  ? 0.39278048 0.10846633 0.30640149 0.00007072  0.03311529  -0.00664521 155 VAL   A CG2  
699  H  H    . VAL   A 43  ? 0.30734015 0.09106556 0.30949816 0.02314030  -0.01336347 0.00125434  155 VAL   A H    
700  H  HA   . VAL   A 43  ? 0.33756068 0.07371749 0.31470555 0.01893567  -0.00114132 -0.02184093 155 VAL   A HA   
701  H  HB   . VAL   A 43  ? 0.35203275 0.06926202 0.30941838 0.00437818  0.00817455  -0.02096938 155 VAL   A HB   
702  H  HG11 . VAL   A 43  ? 0.34799910 0.06682385 0.31540814 -0.00733822 -0.00339002 -0.04505702 155 VAL   A HG11 
703  H  HG12 . VAL   A 43  ? 0.34847471 0.06724668 0.31606469 -0.00602831 -0.00453088 -0.04559208 155 VAL   A HG12 
704  H  HG13 . VAL   A 43  ? 0.34726837 0.06329310 0.31503087 -0.00708634 -0.00344942 -0.04583574 155 VAL   A HG13 
705  H  HG21 . VAL   A 43  ? 0.38147214 0.10426668 0.30741936 0.00034589  0.02643951  -0.00428114 155 VAL   A HG21 
706  H  HG22 . VAL   A 43  ? 0.38138616 0.09574199 0.30832502 0.00056445  0.02681483  -0.00693848 155 VAL   A HG22 
707  H  HG23 . VAL   A 43  ? 0.38562578 0.09639844 0.30655685 -0.00119970 0.02684196  -0.00725349 155 VAL   A HG23 
708  N  N    . ALA   A 44  ? 0.36061564 0.07802531 0.30162910 0.01712961  -0.00066962 -0.01024763 156 ALA   A N    
709  C  CA   . ALA   A 44  ? 0.39903453 0.07074948 0.31218618 0.00090883  -0.00061190 -0.00347326 156 ALA   A CA   
710  C  C    . ALA   A 44  ? 0.36329880 0.00972554 0.29976603 -0.01767074 0.00258966  0.02274827  156 ALA   A C    
711  O  O    . ALA   A 44  ? 0.37763417 0.15015860 0.27577972 -0.01502743 0.00675994  -0.01596569 156 ALA   A O    
712  C  CB   . ALA   A 44  ? 0.44469953 0.05856439 0.36019734 0.02295111  -0.00258210 -0.01319749 156 ALA   A CB   
713  H  H    . ALA   A 44  ? 0.35756001 0.07392972 0.30720809 0.01286576  -0.00262823 -0.01469530 156 ALA   A H    
714  H  HA   . ALA   A 44  ? 0.39216805 0.05960998 0.31369901 0.00323242  0.00056343  -0.00094966 156 ALA   A HA   
715  H  HB1  . ALA   A 44  ? 0.43265730 0.06395326 0.35036325 0.01723626  -0.00250407 -0.00917296 156 ALA   A HB1  
716  H  HB2  . ALA   A 44  ? 0.43547916 0.06346516 0.34917209 0.01804118  0.00003009  -0.01002379 156 ALA   A HB2  
717  H  HB3  . ALA   A 44  ? 0.43482721 0.06567291 0.34949279 0.01940853  -0.00366675 -0.01225023 156 ALA   A HB3  
718  N  N    . PHE   A 45  ? 0.31132799 0.05918171 0.30846339 -0.02616915 0.02631648  -0.00271792 157 PHE   A N    
719  C  CA   . PHE   A 45  ? 0.31548482 0.10356215 0.26921049 -0.04519727 0.02190450  0.00814146  157 PHE   A CA   
720  C  C    . PHE   A 45  ? 0.27899468 0.07539985 0.30818653 0.00435635  0.02513864  -0.01575343 157 PHE   A C    
721  O  O    . PHE   A 45  ? 0.31273037 0.07267496 0.32071096 0.02586881  0.00886139  -0.01698454 157 PHE   A O    
722  C  CB   . PHE   A 45  ? 0.35821635 0.06515336 0.32335606 -0.03628216 0.01508337  0.01087295  157 PHE   A CB   
723  C  CG   . PHE   A 45  ? 0.31828842 0.11867289 0.30749381 -0.05554146 -0.00435556 0.01008276  157 PHE   A CG   
724  C  CD1  . PHE   A 45  ? 0.34111229 0.13539368 0.30028388 -0.04094046 -0.00283840 -0.02470749 157 PHE   A CD1  
725  C  CD2  . PHE   A 45  ? 0.31778511 0.03901753 0.33049685 -0.00736492 -0.01426779 -0.01071292 157 PHE   A CD2  
726  C  CE1  . PHE   A 45  ? 0.34626016 0.13510804 0.30010557 -0.03092889 0.00446378  -0.02311043 157 PHE   A CE1  
727  C  CE2  . PHE   A 45  ? 0.32989627 0.09102000 0.32384962 -0.01209867 -0.01195747 -0.01440944 157 PHE   A CE2  
728  C  CZ   . PHE   A 45  ? 0.31459218 0.11091976 0.31061083 -0.02833917 -0.00135294 -0.02927794 157 PHE   A CZ   
729  H  H    . PHE   A 45  ? 0.31867135 0.05827715 0.29872346 -0.02721275 0.02298185  0.00497050  157 PHE   A H    
730  H  HA   . PHE   A 45  ? 0.31932440 0.08726437 0.29050890 -0.03191143 0.02188872  0.00304670  157 PHE   A HA   
731  H  HB2  . PHE   A 45  ? 0.34227604 0.08504689 0.30930761 -0.04101196 0.01375932  0.01092695  157 PHE   A HB2  
732  H  HB3  . PHE   A 45  ? 0.34441355 0.08530160 0.30953303 -0.04183862 0.01331864  0.01077322  157 PHE   A HB3  
733  H  HD1  . PHE   A 45  ? 0.33764756 0.13031983 0.30275974 -0.04200964 -0.00060165 -0.01738456 157 PHE   A HD1  
734  H  HD2  . PHE   A 45  ? 0.31336221 0.05980659 0.32426333 -0.01085573 -0.00852270 -0.00958371 157 PHE   A HD2  
735  H  HE1  . PHE   A 45  ? 0.33987087 0.13050091 0.30328560 -0.03281313 0.00108830  -0.02358245 157 PHE   A HE1  
736  H  HE2  . PHE   A 45  ? 0.32445854 0.08449703 0.32193443 -0.01451883 -0.01009701 -0.01637209 157 PHE   A HE2  
737  H  HZ   . PHE   A 45  ? 0.32386279 0.11035240 0.30981764 -0.02590245 -0.00190922 -0.02505310 157 PHE   A HZ   
738  N  N    . HIS   A 46  ? 0.30887246 0.06360719 0.30053043 0.03094361  0.00524832  -0.01010265 158 HIS   A N    
739  C  CA   . HIS   A 46  ? 0.34545347 0.09402051 0.32116881 -0.00735486 0.01262095  -0.00455305 158 HIS   A CA   
740  C  C    . HIS   A 46  ? 0.32629839 0.01360940 0.32418722 0.01712796  0.00591838  0.01953422  158 HIS   A C    
741  O  O    . HIS   A 46  ? 0.34171975 0.03322138 0.32494119 -0.00317339 0.01082699  -0.03051750 158 HIS   A O    
742  C  CB   . HIS   A 46  ? 0.35212174 0.07984130 0.30877060 0.00065969  0.02534547  -0.01828258 158 HIS   A CB   
743  C  CG   . HIS   A 46  ? 0.34490064 0.06364164 0.31399879 0.01377278  0.01565945  0.00588000  158 HIS   A CG   
744  N  ND1  . HIS   A 46  ? 0.38058957 0.00664943 0.34431246 -0.01069416 0.00153133  -0.00199132 158 HIS   A ND1  
745  C  CD2  . HIS   A 46  ? 0.32875139 0.08271576 0.33074877 0.00444832  0.01241496  -0.00657628 158 HIS   A CD2  
746  C  CE1  . HIS   A 46  ? 0.38790405 0.00849198 0.34859377 -0.02155722 0.03890333  0.01564846  158 HIS   A CE1  
747  N  NE2  . HIS   A 46  ? 0.36215404 0.11822315 0.30600545 -0.03387953 0.03072337  -0.00878640 158 HIS   A NE2  
748  H  H    . HIS   A 46  ? 0.30843171 0.07246082 0.30562413 0.01746852  0.01116495  -0.01026290 158 HIS   A H    
749  H  HA   . HIS   A 46  ? 0.34062830 0.07189026 0.31614649 0.00450870  0.01242609  -0.00302289 158 HIS   A HA   
750  H  HB2  . HIS   A 46  ? 0.34890434 0.07910616 0.30801278 0.00219361  0.02214046  -0.01201380 158 HIS   A HB2  
751  H  HB3  . HIS   A 46  ? 0.35007757 0.07977080 0.31106365 0.00198495  0.02104288  -0.01064203 158 HIS   A HB3  
752  H  HD1  . HIS   A 46  ? 0.24970603 0.24970603 0.24970603 0.00000000  0.00000000  0.00000000  158 HIS   A HD1  
753  H  HD2  . HIS   A 46  ? 0.33652952 0.08436994 0.32351691 -0.00053850 0.01759677  -0.00387674 158 HIS   A HD2  
754  H  HE1  . HIS   A 46  ? 0.37598461 0.01903315 0.33964205 -0.02514809 0.03116915  0.00911406  158 HIS   A HE1  
755  H  HE2  . HIS   A 46  ? 0.26300445 0.26300445 0.26300445 0.00000000  0.00000000  0.00000000  158 HIS   A HE2  
756  N  N    . PHE   A 47  ? 0.33968267 0.08205583 0.31058732 -0.03921179 0.02666426  0.03117219  159 PHE   A N    
757  C  CA   . PHE   A 47  ? 0.33351275 0.07979380 0.29357645 -0.03858685 0.00636542  0.02965241  159 PHE   A CA   
758  C  C    . PHE   A 47  ? 0.31680804 0.05563590 0.27955878 -0.00045261 0.01773886  -0.00364152 159 PHE   A C    
759  O  O    . PHE   A 47  ? 0.34379533 0.04799990 0.33570507 0.02906010  0.00699198  -0.01701102 159 PHE   A O    
760  C  CB   . PHE   A 47  ? 0.37500304 0.11482229 0.29365811 -0.02329068 -0.00100035 0.02191776  159 PHE   A CB   
761  C  CG   . PHE   A 47  ? 0.34876603 0.12017630 0.30266809 -0.02671195 0.00935508  0.01465868  159 PHE   A CG   
762  C  CD1  . PHE   A 47  ? 0.37083614 0.15223962 0.28197360 -0.02481745 0.02194514  -0.00040404 159 PHE   A CD1  
763  C  CD2  . PHE   A 47  ? 0.33205077 0.12222287 0.30232358 -0.00819622 -0.00134358 -0.00605148 159 PHE   A CD2  
764  C  CE1  . PHE   A 47  ? 0.36717662 0.12807445 0.29437238 -0.00417314 0.00588894  -0.01081902 159 PHE   A CE1  
765  C  CE2  . PHE   A 47  ? 0.36126858 0.05187170 0.33992112 -0.03262394 -0.00597790 -0.01462815 159 PHE   A CE2  
766  C  CZ   . PHE   A 47  ? 0.36048764 0.10440513 0.31362516 0.01077493  0.00260075  0.00111490  159 PHE   A CZ   
767  H  H    . PHE   A 47  ? 0.33628517 0.06699531 0.31016189 -0.02561162 0.01794108  0.02755651  159 PHE   A H    
768  H  HA   . PHE   A 47  ? 0.33630866 0.07994830 0.29432225 -0.02922171 0.01095011  0.02256385  159 PHE   A HA   
769  H  HB2  . PHE   A 47  ? 0.36328533 0.11418906 0.29589525 -0.02345819 0.00266629  0.02303602  159 PHE   A HB2  
770  H  HB3  . PHE   A 47  ? 0.36620152 0.10918363 0.29660344 -0.02583992 0.00106943  0.02232326  159 PHE   A HB3  
771  H  HD1  . PHE   A 47  ? 0.36716375 0.14012292 0.29028618 -0.01957662 0.01667807  0.00080703  159 PHE   A HD1  
772  H  HD2  . PHE   A 47  ? 0.34159541 0.10736164 0.31064051 -0.01651935 0.00113940  -0.00298200 159 PHE   A HD2  
773  H  HE1  . PHE   A 47  ? 0.36791450 0.12786980 0.29699886 -0.00512850 0.00763784  -0.00566344 159 PHE   A HE1  
774  H  HE2  . PHE   A 47  ? 0.35039148 0.07417822 0.32637796 -0.02205170 -0.00544070 -0.01054108 159 PHE   A HE2  
775  H  HZ   . PHE   A 47  ? 0.36214244 0.09755556 0.31637955 -0.00131628 0.00150867  -0.00413881 159 PHE   A HZ   
776  N  N    . ASN   A 48  ? 0.33701223 0.08193364 0.32534599 0.01839646  0.02236326  0.01611250  160 ASN   A N    
777  C  CA   . ASN   A 48  ? 0.37838277 0.09066938 0.30917707 -0.03014309 0.02479629  -0.00937001 160 ASN   A CA   
778  C  C    . ASN   A 48  ? 0.38458717 0.10690255 0.32016224 0.00413132  0.00061181  -0.01311434 160 ASN   A C    
779  O  O    . ASN   A 48  ? 0.37674180 0.13190396 0.32055223 -0.01179345 0.00316084  -0.01245587 160 ASN   A O    
780  C  CB   . ASN   A 48  ? 0.37924683 0.04709258 0.30803317 -0.03164916 0.01852084  -0.02044025 160 ASN   A CB   
781  C  CG   . ASN   A 48  ? 0.39639693 0.04641755 0.32796869 -0.00029908 -0.00405582 -0.01106727 160 ASN   A CG   
782  O  OD1  . ASN   A 48  ? 0.44656926 0.13214688 0.36669126 0.04019666  -0.06902820 -0.03890173 160 ASN   A OD1  
783  N  ND2  . ASN   A 48  ? 0.41874027 0.12727697 0.37085956 0.00173717  -0.00450233 0.02459013  160 ASN   A ND2  
784  H  H    . ASN   A 48  ? 0.34102243 0.07678808 0.31007195 0.00510753  0.02092268  0.00684742  160 ASN   A H    
785  H  HA   . ASN   A 48  ? 0.37411129 0.08367964 0.31398010 -0.01570030 0.01952451  -0.00686409 160 ASN   A HA   
786  H  HB2  . ASN   A 48  ? 0.38068631 0.05452639 0.31008738 -0.02412052 0.01659480  -0.01786580 160 ASN   A HB2  
787  H  HB3  . ASN   A 48  ? 0.37987339 0.05564541 0.31214795 -0.02505289 0.01494842  -0.01675098 160 ASN   A HB3  
788  H  HD21 . ASN   A 48  ? 0.41293895 0.10511847 0.35565925 -0.00060196 -0.00218375 0.01168732  160 ASN   A HD21 
789  H  HD22 . ASN   A 48  ? 0.41192096 0.12152746 0.35615945 0.00332893  -0.00430017 0.01110757  160 ASN   A HD22 
790  N  N    . PRO   A 49  ? 0.42214665 0.12925236 0.32120925 0.02748339  -0.00808093 -0.01346039 161 PRO   A N    
791  C  CA   . PRO   A 49  ? 0.43024766 0.12579298 0.33179170 0.01054525  0.00509573  -0.01236963 161 PRO   A CA   
792  C  C    . PRO   A 49  ? 0.38091350 0.12125425 0.34500411 -0.00404143 0.00025517  -0.02778140 161 PRO   A C    
793  O  O    . PRO   A 49  ? 0.38279930 0.11069715 0.37070343 0.01021801  0.00340982  -0.03244257 161 PRO   A O    
794  C  CB   . PRO   A 49  ? 0.44357225 0.08323882 0.34082907 0.01919244  -0.00799339 0.00013847  161 PRO   A CB   
795  C  CG   . PRO   A 49  ? 0.41169310 0.07235023 0.33158588 0.00450452  -0.00404903 0.00312154  161 PRO   A CG   
796  C  CD   . PRO   A 49  ? 0.37927097 0.09397853 0.33262286 0.00205708  0.00281960  0.00500029  161 PRO   A CD   
797  H  HA   . PRO   A 49  ? 0.42263547 0.11871500 0.33387014 0.01209098  -0.00005987 -0.01282711 161 PRO   A HA   
798  H  HB2  . PRO   A 49  ? 0.43670088 0.09094676 0.33823392 0.01670141  -0.00530415 -0.00197502 161 PRO   A HB2  
799  H  HB3  . PRO   A 49  ? 0.43522683 0.08950675 0.34002361 0.01502890  -0.00567631 -0.00115641 161 PRO   A HB3  
800  H  HG2  . PRO   A 49  ? 0.41086394 0.07886577 0.33338061 0.00666214  -0.00284214 0.00326569  161 PRO   A HG2  
801  H  HG3  . PRO   A 49  ? 0.40993232 0.07817210 0.33290368 0.00603527  -0.00236681 0.00383618  161 PRO   A HG3  
802  H  HD2  . PRO   A 49  ? 0.38769484 0.09551034 0.32944223 0.00569630  0.00264190  0.00162474  161 PRO   A HD2  
803  H  HD3  . PRO   A 49  ? 0.39109665 0.09410024 0.32997689 0.00628773  0.00053635  0.00082958  161 PRO   A HD3  
804  N  N    . ARG   A 50  ? 0.37584719 0.08584911 0.33695373 -0.01518593 -0.00042475 -0.01987597 162 ARG   A N    
805  C  CA   . ARG   A 50  ? 0.42572325 0.11786037 0.35091481 -0.01220378 -0.01993236 0.00550458  162 ARG   A CA   
806  C  C    . ARG   A 50  ? 0.37448156 0.09050745 0.36018124 0.03043674  -0.01424912 -0.01746043 162 ARG   A C    
807  O  O    . ARG   A 50  ? 0.40886727 0.11112145 0.38050151 -0.02483768 0.00828478  -0.06863289 162 ARG   A O    
808  C  CB   . ARG   A 50  ? 0.43421832 0.12100101 0.33083585 0.04270361  -0.02899393 -0.02473714 162 ARG   A CB   
809  C  CG   . ARG   A 50  ? 0.45082384 0.12871952 0.36056960 0.00233368  -0.06010833 -0.04419887 162 ARG   A CG   
810  C  CD   . ARG   A 50  ? 0.44713628 0.11166269 0.36973000 -0.00059455 -0.05318946 -0.05286985 162 ARG   A CD   
811  N  NE   . ARG   A 50  ? 0.42367879 0.07126798 0.35824841 0.05283271  -0.04790415 -0.04024742 162 ARG   A NE   
812  C  CZ   . ARG   A 50  ? 0.40729904 0.14225182 0.33555183 0.03993436  -0.02753519 -0.04063363 162 ARG   A CZ   
813  N  NH1  . ARG   A 50  ? 0.41079882 0.12404014 0.31123701 0.05133851  -0.04437805 -0.00507689 162 ARG   A NH1  
814  N  NH2  . ARG   A 50  ? 0.41581669 0.10990037 0.36764166 0.06550515  -0.01488164 -0.05639144 162 ARG   A NH2  
815  H  H    . ARG   A 50  ? 0.38099822 0.09809399 0.34046665 -0.01385924 -0.00100209 -0.01512096 162 ARG   A H    
816  H  HA   . ARG   A 50  ? 0.41133076 0.10854195 0.34754619 0.00348124  -0.01770684 -0.00777646 162 ARG   A HA   
817  H  HB2  . ARG   A 50  ? 0.43551823 0.12160124 0.34125873 0.02480077  -0.03253467 -0.02289619 162 ARG   A HB2  
818  H  HB3  . ARG   A 50  ? 0.43576261 0.12097107 0.34110811 0.02501746  -0.03278102 -0.02256139 162 ARG   A HB3  
819  H  HG2  . ARG   A 50  ? 0.44942725 0.12474759 0.35734203 0.01007636  -0.05351679 -0.04228972 162 ARG   A HG2  
820  H  HG3  . ARG   A 50  ? 0.44684500 0.12820114 0.35675359 0.00954322  -0.05196573 -0.04286345 162 ARG   A HG3  
821  H  HD2  . ARG   A 50  ? 0.44269243 0.10760082 0.36551598 0.01241855  -0.05339961 -0.04834196 162 ARG   A HD2  
822  H  HD3  . ARG   A 50  ? 0.44209650 0.11163985 0.36578727 0.01245901  -0.05311918 -0.04964492 162 ARG   A HD3  
823  H  HE   . ARG   A 50  ? 0.41652966 0.08649264 0.35693276 0.04851393  -0.04304391 -0.04262866 162 ARG   A HE   
824  H  HH11 . ARG   A 50  ? 0.40831333 0.12836568 0.31647521 0.04828338  -0.04248378 -0.01491160 162 ARG   A HH11 
825  H  HH12 . ARG   A 50  ? 0.41064960 0.12870340 0.32054394 0.04744331  -0.04124903 -0.01409554 162 ARG   A HH12 
826  H  HH21 . ARG   A 50  ? 0.41502938 0.11834492 0.36130172 0.05935286  -0.01614933 -0.05127613 162 ARG   A HH21 
827  H  HH22 . ARG   A 50  ? 0.41007480 0.11580308 0.35937107 0.06182747  -0.01824859 -0.05172929 162 ARG   A HH22 
828  N  N    . PHE   A 51  ? 0.42046168 0.12992276 0.37720990 -0.00068963 -0.03071871 -0.03249063 163 PHE   A N    
829  C  CA   . PHE   A 51  ? 0.44830418 0.19260450 0.36430961 0.05476212  -0.04067004 -0.02602468 163 PHE   A CA   
830  C  C    . PHE   A 51  ? 0.45840007 0.17041042 0.41605514 0.06842825  -0.02254847 -0.05422553 163 PHE   A C    
831  O  O    . PHE   A 51  ? 0.52729541 0.10634761 0.41882068 0.09112068  -0.05035485 -0.03880765 163 PHE   A O    
832  C  CB   . PHE   A 51  ? 0.46031666 0.22524919 0.41170028 0.04882621  -0.06380281 -0.01234988 163 PHE   A CB   
833  C  CG   . PHE   A 51  ? 0.44850737 0.14982016 0.39261398 0.00389208  -0.06902646 -0.00685759 163 PHE   A CG   
834  C  CD1  . PHE   A 51  ? 0.48076731 0.18617342 0.44277281 0.04779480  -0.03716235 -0.00774604 163 PHE   A CD1  
835  C  CD2  . PHE   A 51  ? 0.47602794 0.15016481 0.42719722 -0.00888998 -0.06166492 0.06872036  163 PHE   A CD2  
836  C  CE1  . PHE   A 51  ? 0.44223058 0.25512844 0.44905621 0.03414927  -0.05849783 0.02768097  163 PHE   A CE1  
837  C  CE2  . PHE   A 51  ? 0.45984459 0.21777205 0.45341963 0.04016434  -0.06912644 0.01066960  163 PHE   A CE2  
838  C  CZ   . PHE   A 51  ? 0.46448755 0.18409644 0.45673400 0.01892690  -0.04885715 0.05387383  163 PHE   A CZ   
839  H  H    . PHE   A 51  ? 0.41697514 0.13133271 0.37341639 0.01666465  -0.02942361 -0.02713404 163 PHE   A H    
840  H  HA   . PHE   A 51  ? 0.44616202 0.17921826 0.37837774 0.04567525  -0.03822866 -0.02773870 163 PHE   A HA   
841  H  HB2  . PHE   A 51  ? 0.45625523 0.20351619 0.40619904 0.04251093  -0.06174301 -0.01458926 163 PHE   A HB2  
842  H  HB3  . PHE   A 51  ? 0.45570427 0.20835015 0.40644771 0.04209661  -0.05970439 -0.00756163 163 PHE   A HB3  
843  H  HD1  . PHE   A 51  ? 0.46645331 0.18725879 0.43998665 0.03480629  -0.04496872 -0.00143837 163 PHE   A HD1  
844  H  HD2  . PHE   A 51  ? 0.46764874 0.17063582 0.43006641 0.00075234  -0.06682718 0.04753780  163 PHE   A HD2  
845  H  HE1  . PHE   A 51  ? 0.45595017 0.23092073 0.45407283 0.03312799  -0.05324087 0.03106942  163 PHE   A HE1  
846  H  HE2  . PHE   A 51  ? 0.46440020 0.19715233 0.45023441 0.02621789  -0.06256257 0.03092609  163 PHE   A HE2  
847  H  HZ   . PHE   A 51  ? 0.45851761 0.19903967 0.45392349 0.02897482  -0.05499969 0.04187482  163 PHE   A HZ   
848  N  N    . ASN   A 52  ? 0.49903685 0.04498777 0.45038089 0.08583122  -0.02547035 -0.06881654 164 ASN   A N    
849  C  CA   . ASN   A 52  ? 0.48905295 0.08954623 0.46495032 0.09685442  -0.00757977 -0.03798584 164 ASN   A CA   
850  C  C    . ASN   A 52  ? 0.50262839 0.13764778 0.43205544 0.07120325  0.01484199  0.04913865  164 ASN   A C    
851  O  O    . ASN   A 52  ? 0.60330355 0.18712333 0.45925710 -0.01634462 0.00571198  0.10074564  164 ASN   A O    
852  C  CB   . ASN   A 52  ? 0.55658990 0.19414432 0.53609186 0.03773168  0.00019870  -0.00241830 164 ASN   A CB   
853  C  CG   . ASN   A 52  ? 0.58163339 0.28531450 0.59827882 0.07639030  -0.01926032 -0.03567863 164 ASN   A CG   
854  O  OD1  . ASN   A 52  ? 0.59561998 0.48038700 0.63642353 0.13462719  -0.06929892 0.03565650  164 ASN   A OD1  
855  N  ND2  . ASN   A 52  ? 0.65001398 0.24584582 0.68645692 0.05969121  -0.01342905 0.01440861  164 ASN   A ND2  
856  H  H    . ASN   A 52  ? 0.48967740 0.07805009 0.44085848 0.08498300  -0.01896109 -0.06111424 164 ASN   A H    
857  H  HA   . ASN   A 52  ? 0.50095648 0.10041269 0.46489817 0.08325469  -0.00506639 -0.02467840 164 ASN   A HA   
858  H  HB2  . ASN   A 52  ? 0.54619455 0.18066579 0.53276241 0.05886169  -0.00195881 -0.01549441 164 ASN   A HB2  
859  H  HB3  . ASN   A 52  ? 0.54456210 0.18039718 0.52973372 0.05841406  -0.00529492 -0.01522595 164 ASN   A HB3  
860  H  HD21 . ASN   A 52  ? 0.63947701 0.25687456 0.65820980 0.06532240  -0.01189616 0.00082444  164 ASN   A HD21 
861  H  HD22 . ASN   A 52  ? 0.63220572 0.25923997 0.65877914 0.06489728  -0.01405978 0.00092322  164 ASN   A HD22 
862  N  N    . GLU   A 53  ? 0.49659204 0.15060095 0.45646822 0.03553403  -0.02358933 -0.03880817 165 GLU   A N    
863  C  CA   . GLU   A 53  ? 0.53257734 0.15933494 0.37672028 0.01168563  -0.02504832 -0.04958399 165 GLU   A CA   
864  C  C    . GLU   A 53  ? 0.53296399 0.14248703 0.40677080 0.03447295  -0.01819739 -0.04399179 165 GLU   A C    
865  O  O    . GLU   A 53  ? 0.52712965 0.12890831 0.43714902 0.07668965  -0.00871698 -0.01374433 165 GLU   A O    
866  C  CB   . GLU   A 53  ? 0.57136083 0.19729635 0.41572165 0.00369393  -0.01264000 -0.11285244 165 GLU   A CB   
867  C  CG   . GLU   A 53  ? 0.54314399 0.24649245 0.40808153 0.01654184  0.00713538  -0.13609245 165 GLU   A CG   
868  C  CD   . GLU   A 53  ? 0.56013441 0.24962020 0.41787505 0.00645872  0.02911256  -0.10427427 165 GLU   A CD   
869  O  OE1  . GLU   A 53  ? 0.56568986 0.23596090 0.43901488 0.01474771  0.01805469  -0.09466282 165 GLU   A OE1  
870  O  OE2  . GLU   A 53  ? 0.56594658 0.31011689 0.40384132 0.02936123  0.04120277  -0.10531908 165 GLU   A OE2  
871  H  H    . GLU   A 53  ? 0.50602752 0.15690482 0.44647065 0.04062902  -0.01613825 -0.03090184 165 GLU   A H    
872  H  HA   . GLU   A 53  ? 0.53241289 0.16073355 0.39283982 0.01760285  -0.01774399 -0.04988122 165 GLU   A HA   
873  H  HB2  . GLU   A 53  ? 0.56313378 0.20048960 0.40751240 0.00612513  -0.01281069 -0.10244399 165 GLU   A HB2  
874  H  HB3  . GLU   A 53  ? 0.56130368 0.20007168 0.41095227 0.00962485  -0.01393726 -0.10369459 165 GLU   A HB3  
875  H  HG2  . GLU   A 53  ? 0.54973137 0.23549186 0.41217470 0.01411790  0.00802862  -0.12482264 165 GLU   A HG2  
876  H  HG3  . GLU   A 53  ? 0.55053806 0.23686977 0.41220042 0.01340304  0.00822792  -0.12505625 165 GLU   A HG3  
877  N  N    . ASN   A 54  ? 0.53075075 0.18097807 0.41608024 0.08416455  -0.01706173 -0.00624579 166 ASN   A N    
878  C  CA   . ASN   A 54  ? 0.55093628 0.24535307 0.44439808 0.10116094  0.00642431  -0.04238284 166 ASN   A CA   
879  C  C    . ASN   A 54  ? 0.50167680 0.12590098 0.42308533 0.09934165  -0.01840316 -0.06584959 166 ASN   A C    
880  O  O    . ASN   A 54  ? 0.54473364 0.14981923 0.38851765 0.07684404  0.00146351  -0.05312458 166 ASN   A O    
881  C  CB   . ASN   A 54  ? 0.60424203 0.28057241 0.57244283 0.10100949  -0.02752396 -0.05830841 166 ASN   A CB   
882  C  CG   . ASN   A 54  ? 0.64506531 0.24058783 0.60190845 0.12699619  -0.04989311 0.00117486  166 ASN   A CG   
883  O  OD1  . ASN   A 54  ? 0.69913357 0.53657550 0.73179215 0.12374000  -0.04303169 -0.08555682 166 ASN   A OD1  
884  N  ND2  . ASN   A 54  ? 0.65801001 0.19962402 0.64132375 0.15217859  -0.10424766 -0.03662277 166 ASN   A ND2  
885  H  H    . ASN   A 54  ? 0.53412628 0.18088365 0.41731733 0.07519408  -0.01269020 -0.02131372 166 ASN   A H    
886  H  HA   . ASN   A 54  ? 0.54520404 0.22626905 0.45373729 0.10072812  -0.00545496 -0.04657090 166 ASN   A HA   
887  H  HB2  . ASN   A 54  ? 0.59960049 0.26912132 0.55995107 0.10782286  -0.02347651 -0.04270849 166 ASN   A HB2  
888  H  HB3  . ASN   A 54  ? 0.59898597 0.27957141 0.55492687 0.10874724  -0.02438828 -0.04917208 166 ASN   A HB3  
889  H  HD21 . ASN   A 54  ? 0.65824872 0.21313447 0.63019842 0.14773698  -0.09134722 -0.02898195 166 ASN   A HD21 
890  H  HD22 . ASN   A 54  ? 0.65367454 0.21105063 0.63120443 0.14767715  -0.08872530 -0.02824572 166 ASN   A HD22 
891  N  N    . ASN   A 55  ? 0.54649091 0.10768788 0.39813665 0.09944864  -0.03651515 -0.06298237 167 ASN   A N    
892  C  CA   . ASN   A 55  ? 0.55445910 0.15357345 0.38388115 0.09790178  -0.03859485 -0.03726819 167 ASN   A CA   
893  C  C    . ASN   A 55  ? 0.58801186 0.13129607 0.39296907 0.08525176  -0.02024874 -0.04856180 167 ASN   A C    
894  O  O    . ASN   A 55  ? 0.68442202 0.13770474 0.42733753 0.05565242  -0.01369391 -0.06522100 167 ASN   A O    
895  C  CB   . ASN   A 55  ? 0.54435611 0.13584782 0.41120955 0.10165924  -0.04213556 -0.01661675 167 ASN   A CB   
896  C  CG   . ASN   A 55  ? 0.55915183 0.14513779 0.40935227 0.10552162  -0.01448968 -0.03799214 167 ASN   A CG   
897  O  OD1  . ASN   A 55  ? 0.73356903 0.14228731 0.45566976 0.14012200  -0.05038230 -0.00777158 167 ASN   A OD1  
898  N  ND2  . ASN   A 55  ? 0.58077681 0.15599675 0.45005152 0.05238532  -0.02496760 -0.02002149 167 ASN   A ND2  
899  H  H    . ASN   A 55  ? 0.54061937 0.12261985 0.40226859 0.09834468  -0.03397868 -0.05800012 167 ASN   A H    
900  H  HA   . ASN   A 55  ? 0.55585343 0.14006379 0.39324892 0.09756523  -0.03567933 -0.03899308 167 ASN   A HA   
901  H  HB2  . ASN   A 55  ? 0.54690474 0.14127496 0.40622362 0.10116664  -0.03629530 -0.02534671 167 ASN   A HB2  
902  H  HB3  . ASN   A 55  ? 0.54990250 0.14130154 0.40814096 0.10107163  -0.03573290 -0.02509265 167 ASN   A HB3  
903  H  HD21 . ASN   A 55  ? 0.57732326 0.15627438 0.43969768 0.06380534  -0.02035637 -0.02794109 167 ASN   A HD21 
904  H  HD22 . ASN   A 55  ? 0.57511157 0.14977980 0.43799478 0.06471744  -0.02137402 -0.02380716 167 ASN   A HD22 
905  N  N    . ARG   A 56  ? 0.55008489 0.12622029 0.43030295 0.02947078  0.01367329  -0.05085488 168 ARG   A N    
906  C  CA   . ARG   A 56  ? 0.56409669 0.21088578 0.46646497 0.09465161  0.00837023  0.00320102  168 ARG   A CA   
907  C  C    . ARG   A 56  ? 0.49105570 0.14422423 0.37358958 0.04250564  -0.01013328 -0.05993687 168 ARG   A C    
908  O  O    . ARG   A 56  ? 0.51216465 0.16859813 0.39765888 0.10301986  -0.00865781 -0.03420588 168 ARG   A O    
909  C  CB   . ARG   A 56  ? 0.54525882 0.23885646 0.47365457 0.08979812  0.03019542  0.06796247  168 ARG   A CB   
910  C  CG   . ARG   A 56  ? 0.56279886 0.37779096 0.50487328 0.11418657  0.04930174  0.03955220  168 ARG   A CG   
911  C  CD   . ARG   A 56  ? 0.59864599 0.45832175 0.52902621 0.13346793  0.01936528  0.03191965  168 ARG   A CD   
912  N  NE   . ARG   A 56  ? 0.62432951 0.48754615 0.54314464 0.15745965  0.03565210  0.01946031  168 ARG   A NE   
913  C  CZ   . ARG   A 56  ? 0.65503746 0.48644918 0.58034235 0.17549397  0.00029765  0.04077841  168 ARG   A CZ   
914  N  NH1  . ARG   A 56  ? 0.73754776 0.54123753 0.68042350 0.19489188  -0.00341781 0.04737160  168 ARG   A NH1  
915  N  NH2  . ARG   A 56  ? 0.69378096 0.56077141 0.59752822 0.15947443  -0.00327525 0.10423268  168 ARG   A NH2  
916  H  H    . ARG   A 56  ? 0.55826026 0.14108509 0.42633751 0.05449076  0.00492231  -0.04111514 168 ARG   A H    
917  H  HA   . ARG   A 56  ? 0.54412246 0.18157345 0.45503494 0.07344540  0.01049965  -0.00541150 168 ARG   A HA   
918  H  HB2  . ARG   A 56  ? 0.55280536 0.25240499 0.47775456 0.09559961  0.02934466  0.05181109  168 ARG   A HB2  
919  H  HB3  . ARG   A 56  ? 0.55210537 0.23655750 0.47169620 0.09460239  0.02953511  0.05908393  168 ARG   A HB3  
920  H  HG2  . ARG   A 56  ? 0.56511718 0.35975313 0.50365895 0.11298893  0.04014537  0.04400463  168 ARG   A HG2  
921  H  HG3  . ARG   A 56  ? 0.56591809 0.36669800 0.50217885 0.11530710  0.03971012  0.04297120  168 ARG   A HG3  
922  H  HD2  . ARG   A 56  ? 0.59545451 0.44567472 0.52890450 0.13525151  0.02715758  0.03105623  168 ARG   A HD2  
923  H  HD3  . ARG   A 56  ? 0.59697706 0.45172876 0.52550858 0.13695771  0.02803635  0.03172444  168 ARG   A HD3  
924  H  HE   . ARG   A 56  ? 0.62789828 0.48479223 0.55115551 0.15737113  0.02383964  0.02680354  168 ARG   A HE   
925  H  HH11 . ARG   A 56  ? 0.72440100 0.52412534 0.64984137 0.19200259  -0.00398131 0.04627448  168 ARG   A HH11 
926  H  HH12 . ARG   A 56  ? 0.71350938 0.53394729 0.64916486 0.19155231  -0.00187033 0.04347675  168 ARG   A HH12 
927  H  HH21 . ARG   A 56  ? 0.68607575 0.53908879 0.59385598 0.16551831  -0.00058195 0.08660570  168 ARG   A HH21 
928  H  HH22 . ARG   A 56  ? 0.68424875 0.54043168 0.59243315 0.15968466  0.00065708  0.08483423  168 ARG   A HH22 
929  N  N    . ARG   A 57  ? 0.42502958 0.17174038 0.34446290 0.06325883  -0.01927039 -0.06286736 169 ARG   A N    
930  C  CA   . ARG   A 57  ? 0.43338007 0.13774237 0.38267732 0.03819870  -0.02507940 -0.09092731 169 ARG   A CA   
931  C  C    . ARG   A 57  ? 0.41384876 0.16950594 0.35645977 0.01435852  -0.01809733 -0.07129464 169 ARG   A C    
932  O  O    . ARG   A 57  ? 0.45750231 0.19972029 0.42866248 -0.01331495 0.01789142  -0.11813651 169 ARG   A O    
933  C  CB   . ARG   A 57  ? 0.48294932 0.13453923 0.40750697 0.04054888  -0.03809443 -0.07094982 169 ARG   A CB   
934  C  CG   . ARG   A 57  ? 0.54455882 0.14964303 0.39870536 0.04740272  -0.04526715 -0.09570333 169 ARG   A CG   
935  C  CD   . ARG   A 57  ? 0.53255278 0.16479568 0.42037159 0.09975185  -0.04434963 -0.03036155 169 ARG   A CD   
936  N  NE   . ARG   A 57  ? 0.55599970 0.23795465 0.39306620 0.09710994  -0.03871794 -0.05989221 169 ARG   A NE   
937  C  CZ   . ARG   A 57  ? 0.54986525 0.28268361 0.41471627 0.07875878  -0.02504364 0.02129407  169 ARG   A CZ   
938  N  NH1  . ARG   A 57  ? 0.58283204 0.28203323 0.35375252 0.07016765  0.01671146  -0.01566378 169 ARG   A NH1  
939  N  NH2  . ARG   A 57  ? 0.56350082 0.36588803 0.52568406 0.03696397  -0.05062632 0.08426793  169 ARG   A NH2  
940  H  H    . ARG   A 57  ? 0.43934584 0.15936524 0.35306969 0.05492194  -0.01488692 -0.06739584 169 ARG   A H    
941  H  HA   . ARG   A 57  ? 0.43639204 0.14924662 0.37808579 0.03965884  -0.02544902 -0.07977097 169 ARG   A HA   
942  H  HB2  . ARG   A 57  ? 0.48309550 0.13952731 0.40030229 0.04121913  -0.03675681 -0.07890519 169 ARG   A HB2  
943  H  HB3  . ARG   A 57  ? 0.48278370 0.13931367 0.40003097 0.04041101  -0.03670111 -0.07855134 169 ARG   A HB3  
944  H  HG2  . ARG   A 57  ? 0.53010869 0.14962384 0.40765387 0.05704135  -0.04439627 -0.07988366 169 ARG   A HG2  
945  H  HG3  . ARG   A 57  ? 0.53094995 0.14991629 0.40529764 0.05556137  -0.04430109 -0.07778904 169 ARG   A HG3  
946  H  HD2  . ARG   A 57  ? 0.53954440 0.17867064 0.41181692 0.08925986  -0.04209057 -0.04700795 169 ARG   A HD2  
947  H  HD3  . ARG   A 57  ? 0.54006940 0.17993134 0.41167459 0.08992818  -0.04219723 -0.04688453 169 ARG   A HD3  
948  H  HE   . ARG   A 57  ? 0.55360389 0.22792932 0.40169683 0.09381767  -0.03803101 -0.03924911 169 ARG   A HE   
949  H  HH11 . ARG   A 57  ? 0.57886922 0.28310448 0.37516874 0.07106515  0.00804577  -0.00654394 169 ARG   A HH11 
950  H  HH12 . ARG   A 57  ? 0.57698941 0.28162202 0.37193465 0.07311245  0.00552119  -0.00661851 169 ARG   A HH12 
951  H  HH21 . ARG   A 57  ? 0.56293774 0.33849776 0.49123162 0.04843172  -0.03934310 0.06134157  169 ARG   A HH21 
952  H  HH22 . ARG   A 57  ? 0.56101626 0.33816352 0.49296528 0.05094372  -0.04293132 0.05847825  169 ARG   A HH22 
953  N  N    . VAL   A 58  ? 0.41201881 0.18464246 0.34184507 0.01027434  -0.01156361 -0.04505393 170 VAL   A N    
954  C  CA   . VAL   A 58  ? 0.38423729 0.16155958 0.35984695 0.01231357  -0.00783138 -0.06397212 170 VAL   A CA   
955  C  C    . VAL   A 58  ? 0.34294286 0.13598633 0.32470107 0.02849397  -0.01089019 -0.00514417 170 VAL   A C    
956  O  O    . VAL   A 58  ? 0.38186842 0.14064461 0.39844573 0.00081414  0.02113657  -0.05283479 170 VAL   A O    
957  C  CB   . VAL   A 58  ? 0.40630868 0.07096519 0.41086853 0.01093572  -0.02388570 -0.02348955 170 VAL   A CB   
958  C  CG1  . VAL   A 58  ? 0.42044532 0.19132894 0.36389706 0.02507561  -0.04197252 -0.03238498 170 VAL   A CG1  
959  C  CG2  . VAL   A 58  ? 0.42017993 0.13966677 0.44194984 -0.00560667 -0.03207830 -0.08050120 170 VAL   A CG2  
960  H  H    . VAL   A 58  ? 0.40661386 0.17540035 0.34855300 0.01159420  -0.01154475 -0.05396789 170 VAL   A H    
961  H  HA   . VAL   A 58  ? 0.38635391 0.14970757 0.36366689 0.01734504  -0.01233286 -0.04631598 170 VAL   A HA   
962  H  HB   . VAL   A 58  ? 0.40612918 0.11280296 0.40176529 0.01431037  -0.02191390 -0.04004272 170 VAL   A HB   
963  H  HG11 . VAL   A 58  ? 0.42004883 0.16370766 0.37790269 0.02143649  -0.03792812 -0.02617737 170 VAL   A HG11 
964  H  HG12 . VAL   A 58  ? 0.42141157 0.16933474 0.37750289 0.02833317  -0.03531310 -0.02563151 170 VAL   A HG12 
965  H  HG13 . VAL   A 58  ? 0.41677016 0.16149001 0.37573931 0.02412235  -0.03820989 -0.02734594 170 VAL   A HG13 
966  H  HG21 . VAL   A 58  ? 0.42026192 0.12236117 0.43632507 -0.00199349 -0.02754866 -0.06566550 170 VAL   A HG21 
967  H  HG22 . VAL   A 58  ? 0.41907731 0.12346484 0.43906349 -0.00013331 -0.03158584 -0.06699869 170 VAL   A HG22 
968  H  HG23 . VAL   A 58  ? 0.41849768 0.12441923 0.43365186 -0.00208149 -0.03003107 -0.06296679 170 VAL   A HG23 
969  N  N    . ILE   A 59  ? 0.40144515 0.11740764 0.32354560 0.02722545  -0.00190986 -0.02184488 171 ILE   A N    
970  C  CA   . ILE   A 59  ? 0.40842292 0.21879788 0.33020702 0.05678781  -0.01083671 -0.05387282 171 ILE   A CA   
971  C  C    . ILE   A 59  ? 0.37412938 0.14683822 0.32334965 0.04558475  0.00063008  -0.03520749 171 ILE   A C    
972  O  O    . ILE   A 59  ? 0.40995371 0.17826165 0.33049664 0.03900067  0.03147758  -0.03446333 171 ILE   A O    
973  C  CB   . ILE   A 59  ? 0.43943805 0.24410012 0.35381064 0.07112074  -0.04478737 -0.03046727 171 ILE   A CB   
974  C  CG1  . ILE   A 59  ? 0.48799580 0.31236252 0.40179598 0.09592969  -0.03443757 -0.06722173 171 ILE   A CG1  
975  C  CG2  . ILE   A 59  ? 0.47171202 0.23776937 0.38383627 0.09520051  -0.04336191 -0.00471319 171 ILE   A CG2  
976  C  CD1  . ILE   A 59  ? 0.50209314 0.38283849 0.40510163 0.05447020  -0.05307323 -0.08603410 171 ILE   A CD1  
977  H  H    . ILE   A 59  ? 0.38934135 0.14008747 0.32524636 0.03274117  -0.00441755 -0.02310968 171 ILE   A H    
978  H  HA   . ILE   A 59  ? 0.40817988 0.18790607 0.33264336 0.05295609  -0.01302133 -0.04185128 171 ILE   A HA   
979  H  HB   . ILE   A 59  ? 0.44145492 0.24752286 0.36012143 0.07382234  -0.03525598 -0.03508710 171 ILE   A HB   
980  H  HG12 . ILE   A 59  ? 0.47683555 0.30291295 0.38925093 0.08496554  -0.03819600 -0.06371053 171 ILE   A HG12 
981  H  HG13 . ILE   A 59  ? 0.47924590 0.31178433 0.39262927 0.08478604  -0.04007556 -0.06552316 171 ILE   A HG13 
982  H  HG21 . ILE   A 59  ? 0.46401334 0.23618603 0.37535781 0.09070553  -0.04325362 -0.00905098 171 ILE   A HG21 
983  H  HG22 . ILE   A 59  ? 0.46636739 0.23988166 0.37646860 0.09093581  -0.04337148 -0.01154286 171 ILE   A HG22 
984  H  HG23 . ILE   A 59  ? 0.46487582 0.23848920 0.37976152 0.09052904  -0.04045589 -0.00959425 171 ILE   A HG23 
985  H  HD11 . ILE   A 59  ? 0.50188243 0.37224668 0.40596446 0.06081592  -0.05056094 -0.07659513 171 ILE   A HD11 
986  H  HD12 . ILE   A 59  ? 0.49894595 0.36766973 0.40263605 0.06467584  -0.04898085 -0.08053659 171 ILE   A HD12 
987  H  HD13 . ILE   A 59  ? 0.49927241 0.37199786 0.40621790 0.06560513  -0.04897390 -0.08287124 171 ILE   A HD13 
988  N  N    . VAL   A 60  ? 0.37188521 0.06362012 0.32569721 0.02642272  0.01063363  -0.02719732 172 VAL   A N    
989  C  CA   . VAL   A 60  ? 0.35045230 0.10962234 0.30976135 0.03873529  0.00743217  -0.01811048 172 VAL   A CA   
990  C  C    . VAL   A 60  ? 0.36117959 0.11059289 0.32607952 0.02441595  0.01908938  -0.02336507 172 VAL   A C    
991  O  O    . VAL   A 60  ? 0.36785150 0.14073697 0.32630658 0.01527227  0.00211086  -0.02843256 172 VAL   A O    
992  C  CB   . VAL   A 60  ? 0.41186976 0.08642422 0.35591307 -0.01406066 0.01813874  -0.01627635 172 VAL   A CB   
993  C  CG1  . VAL   A 60  ? 0.45449740 0.09805198 0.37860876 -0.00533355 -0.00803910 0.01731644  172 VAL   A CG1  
994  C  CG2  . VAL   A 60  ? 0.43814093 0.12111984 0.40842357 0.00726345  0.01493335  -0.04210950 172 VAL   A CG2  
995  H  H    . VAL   A 60  ? 0.36667034 0.09018937 0.32242191 0.03231860  0.00828494  -0.02679271 172 VAL   A H    
996  H  HA   . VAL   A 60  ? 0.36160591 0.09994092 0.32244071 0.02664380  0.01273780  -0.01998121 172 VAL   A HA   
997  H  HB   . VAL   A 60  ? 0.40799892 0.09745558 0.35745984 0.00006670  0.01327877  -0.01479111 172 VAL   A HB   
998  H  HG11 . VAL   A 60  ? 0.44809592 0.09630828 0.37198046 -0.00671764 -0.00242750 0.00882722  172 VAL   A HG11 
999  H  HG12 . VAL   A 60  ? 0.44487908 0.10055979 0.37261471 -0.00993348 -0.00270349 0.01096027  172 VAL   A HG12 
1000 H  HG13 . VAL   A 60  ? 0.44386235 0.09468338 0.37077084 -0.00771725 -0.00149311 0.01016544  172 VAL   A HG13 
1001 H  HG21 . VAL   A 60  ? 0.43176782 0.11670752 0.40000400 0.00253542  0.01539893  -0.04020973 172 VAL   A HG21 
1002 H  HG22 . VAL   A 60  ? 0.43258008 0.11230643 0.39729434 0.00288431  0.01751968  -0.03462609 172 VAL   A HG22 
1003 H  HG23 . VAL   A 60  ? 0.43502155 0.11225090 0.39556065 0.00255068  0.01498346  -0.03572368 172 VAL   A HG23 
1004 N  N    . CYS   A 61  ? 0.33813366 0.14470980 0.28823593 0.00138507  0.02733535  -0.02858934 173 CYS   A N    
1005 C  CA   . CYS   A 61  ? 0.34179974 0.15483369 0.31292742 0.02908636  0.02531333  -0.01006608 173 CYS   A CA   
1006 C  C    . CYS   A 61  ? 0.33590126 0.11344846 0.31109801 -0.01070584 0.03225726  -0.00641579 173 CYS   A C    
1007 O  O    . CYS   A 61  ? 0.34580430 0.10682605 0.31739259 0.04656129  0.01338135  0.00290935  173 CYS   A O    
1008 C  CB   . CYS   A 61  ? 0.38587257 0.11974251 0.31807873 0.00800413  0.01570948  -0.03211476 173 CYS   A CB   
1009 S  SG   . CYS   A 61  ? 0.44911778 0.14124702 0.34126890 0.01937351  -0.03186098 -0.02760924 173 CYS   A SG   
1010 H  H    . CYS   A 61  ? 0.34115452 0.13900727 0.30002588 0.01213949  0.02637831  -0.02364008 173 CYS   A H    
1011 H  HA   . CYS   A 61  ? 0.34528938 0.13886103 0.30959722 0.01481254  0.02549310  -0.01509730 173 CYS   A HA   
1012 H  HB2  . CYS   A 61  ? 0.38538697 0.12862301 0.31958038 0.01443552  0.01122668  -0.02746347 173 CYS   A HB2  
1013 H  HB3  . CYS   A 61  ? 0.38644710 0.12305555 0.31791365 0.01565747  0.01158506  -0.03034201 173 CYS   A HB3  
1014 H  HG   . CYS   A 61  ? 0.31209457 0.31209457 0.31209457 0.00000000  0.00000000  0.00000000  173 CYS   A HG   
1015 N  N    . ASN   A 62  ? 0.32608649 0.08666933 0.29068977 0.00616764  0.02012635  0.04188710  174 ASN   A N    
1016 C  CA   . ASN   A 62  ? 0.32159245 0.15284142 0.27835593 0.01297486  0.00001129  0.02632509  174 ASN   A CA   
1017 C  C    . ASN   A 62  ? 0.30482346 0.10546775 0.27710748 -0.03864993 -0.01888730 -0.00326125 174 ASN   A C    
1018 O  O    . ASN   A 62  ? 0.31931058 0.13291110 0.30379742 -0.01044017 -0.01953644 -0.02027499 174 ASN   A O    
1019 C  CB   . ASN   A 62  ? 0.35780177 0.13595623 0.30219203 0.01257443  0.00355676  0.01287590  174 ASN   A CB   
1020 C  CG   . ASN   A 62  ? 0.34981775 0.16028860 0.30456752 0.01673978  -0.00343013 0.02468681  174 ASN   A CG   
1021 O  OD1  . ASN   A 62  ? 0.37601507 0.11067940 0.31999061 0.02721937  0.00090058  -0.01546820 174 ASN   A OD1  
1022 N  ND2  . ASN   A 62  ? 0.36687952 0.17076182 0.30414620 0.00896494  -0.03358848 0.06071649  174 ASN   A ND2  
1023 H  H    . ASN   A 62  ? 0.32569689 0.10568741 0.29258126 0.00485881  0.01849395  0.02847427  174 ASN   A H    
1024 H  HA   . ASN   A 62  ? 0.32777101 0.13008085 0.28460583 0.00494637  0.00057133  0.02191301  174 ASN   A HA   
1025 H  HB2  . ASN   A 62  ? 0.34932056 0.14199705 0.29604805 0.01435955  0.00226159  0.01606998  174 ASN   A HB2  
1026 H  HB3  . ASN   A 62  ? 0.35115957 0.14411761 0.29775205 0.01445848  0.00072206  0.01718739  174 ASN   A HB3  
1027 H  HD21 . ASN   A 62  ? 0.36257920 0.16968343 0.30388191 0.01252303  -0.02493212 0.05107530  174 ASN   A HD21 
1028 H  HD22 . ASN   A 62  ? 0.36060235 0.16789189 0.30190682 0.01185392  -0.02699579 0.05009787  174 ASN   A HD22 
1029 N  N    . THR   A 63  ? 0.31997320 0.15269151 0.26916778 -0.02635854 -0.01346295 0.02211933  175 THR   A N    
1030 C  CA   . THR   A 63  ? 0.33664775 0.09531504 0.28505516 -0.04872254 -0.00397899 0.00722857  175 THR   A CA   
1031 C  C    . THR   A 63  ? 0.34596729 0.12654465 0.30163810 -0.01769568 -0.01416861 -0.00128136 175 THR   A C    
1032 O  O    . THR   A 63  ? 0.38031247 0.16259792 0.27759412 0.03963561  -0.01424647 0.04164546  175 THR   A O    
1033 C  CB   . THR   A 63  ? 0.33533424 0.08842303 0.28880221 -0.04511080 0.00172392  0.00583919  175 THR   A CB   
1034 O  OG1  . THR   A 63  ? 0.34849358 0.12614858 0.29353076 -0.02806273 -0.02231617 0.01971551  175 THR   A OG1  
1035 C  CG2  . THR   A 63  ? 0.35135517 0.14673607 0.30751637 -0.04693903 0.02216885  0.00866329  175 THR   A CG2  
1036 H  H    . THR   A 63  ? 0.31906679 0.12974919 0.27482483 -0.03186984 -0.01270460 0.01352383  175 THR   A H    
1037 H  HA   . THR   A 63  ? 0.33737782 0.10837162 0.28629038 -0.03927498 -0.00539989 0.00830875  175 THR   A HA   
1038 H  HB   . THR   A 63  ? 0.33871305 0.10306994 0.29191932 -0.04205701 0.00001771  0.00922633  175 THR   A HB   
1039 H  HG1  . THR   A 63  ? 0.25586131 0.25586131 0.25586131 0.00000000  0.00000000  0.00000000  175 THR   A HG1  
1040 H  HG21 . THR   A 63  ? 0.35001376 0.13647702 0.30271956 -0.04166444 0.01661190  0.00704743  175 THR   A HG21 
1041 H  HG22 . THR   A 63  ? 0.34961924 0.13110146 0.30273506 -0.04534034 0.01659214  0.00703146  175 THR   A HG22 
1042 H  HG23 . THR   A 63  ? 0.34863335 0.13256773 0.30572802 -0.04516988 0.01724268  0.00517297  175 THR   A HG23 
1043 N  N    . LYS   A 64  ? 0.34890765 0.07929561 0.29113105 -0.00384969 0.00194570  -0.00633550 176 LYS   A N    
1044 C  CA   . LYS   A 64  ? 0.37231189 0.14614221 0.26997769 0.01049678  0.00935215  0.00718207  176 LYS   A CA   
1045 C  C    . LYS   A 64  ? 0.33921513 0.17247412 0.26944798 0.03937813  0.00027448  0.00226388  176 LYS   A C    
1046 O  O    . LYS   A 64  ? 0.35736096 0.14110926 0.30970585 0.05312644  -0.02091113 -0.02358983 176 LYS   A O    
1047 C  CB   . LYS   A 64  ? 0.40496451 0.24455243 0.32729855 0.00073830  0.01928245  0.01024694  176 LYS   A CB   
1048 C  CG   . LYS   A 64  ? 0.49047625 0.23269008 0.33958530 0.05713190  0.04622960  0.02051528  176 LYS   A CG   
1049 C  CD   . LYS   A 64  ? 0.59258616 0.26370397 0.41012195 -0.03203731 0.02435386  0.05820815  176 LYS   A CD   
1050 C  CE   . LYS   A 64  ? 0.72818834 0.35364529 0.45395488 -0.05491267 0.03698891  -0.01978379 176 LYS   A CE   
1051 N  NZ   . LYS   A 64  ? 0.77180290 0.32077405 0.48249251 -0.10324828 0.02428540  -0.01804493 176 LYS   A NZ   
1052 H  H    . LYS   A 64  ? 0.35007328 0.10005250 0.28981447 -0.00254647 -0.00079044 -0.00130134 176 LYS   A H    
1053 H  HA   . LYS   A 64  ? 0.36815357 0.14811572 0.28116271 0.01089455  0.00780986  0.00409292  176 LYS   A HA   
1054 H  HB2  . LYS   A 64  ? 0.40972263 0.21999888 0.32006714 0.01221852  0.02224466  0.01630140  176 LYS   A HB2  
1055 H  HB3  . LYS   A 64  ? 0.41513997 0.22017519 0.31568757 0.00889701  0.02153992  0.01345618  176 LYS   A HB3  
1056 H  HG2  . LYS   A 64  ? 0.48526368 0.23658861 0.35011262 0.03508279  0.04058875  0.02488408  176 LYS   A HG2  
1057 H  HG3  . LYS   A 64  ? 0.48282158 0.22472255 0.34722328 0.03931201  0.04039759  0.01932309  176 LYS   A HG3  
1058 H  HD2  . LYS   A 64  ? 0.58839393 0.27755257 0.39805621 -0.01798970 0.03106910  0.03989767  176 LYS   A HD2  
1059 H  HD3  . LYS   A 64  ? 0.58885378 0.27201316 0.39713269 -0.01596503 0.03097711  0.03970660  176 LYS   A HD3  
1060 H  HE2  . LYS   A 64  ? 0.70313954 0.32590243 0.44973624 -0.05728484 0.03453086  -0.00078128 176 LYS   A HE2  
1061 H  HE3  . LYS   A 64  ? 0.71175402 0.32958657 0.45371404 -0.06215093 0.03860208  -0.00401179 176 LYS   A HE3  
1062 H  HZ1  . LYS   A 64  ? 0.75923723 0.33020940 0.47480574 -0.09248647 0.02875010  -0.01908797 176 LYS   A HZ1  
1063 H  HZ2  . LYS   A 64  ? 0.75838792 0.33087707 0.47649348 -0.09249903 0.02402554  -0.01495930 176 LYS   A HZ2  
1064 H  HZ3  . LYS   A 64  ? 0.75639880 0.32729709 0.47319993 -0.09296187 0.02525587  -0.01963147 176 LYS   A HZ3  
1065 N  N    . LEU   A 65  ? 0.36492938 0.19532202 0.28935510 0.04986764  -0.00461515 -0.00894725 177 LEU   A N    
1066 C  CA   . LEU   A 65  ? 0.40011987 0.19669367 0.27993244 -0.01212319 -0.00899816 -0.00127650 177 LEU   A CA   
1067 C  C    . LEU   A 65  ? 0.38419831 0.27068734 0.25846905 0.01576371  -0.02088927 -0.00988427 177 LEU   A C    
1068 O  O    . LEU   A 65  ? 0.41059268 0.23458637 0.34530422 0.01704124  -0.03035436 -0.02567074 177 LEU   A O    
1069 C  CB   . LEU   A 65  ? 0.39057252 0.21244469 0.32004079 0.01180005  -0.00805656 -0.02648989 177 LEU   A CB   
1070 C  CG   . LEU   A 65  ? 0.44126856 0.21701385 0.31660810 0.01194442  -0.00809225 -0.03364124 177 LEU   A CG   
1071 C  CD1  . LEU   A 65  ? 0.45797819 0.24402440 0.38973707 -0.00864678 -0.02016331 -0.00783876 177 LEU   A CD1  
1072 C  CD2  . LEU   A 65  ? 0.51932758 0.20871991 0.35667181 0.06735026  -0.00761649 -0.01383007 177 LEU   A CD2  
1073 H  H    . LEU   A 65  ? 0.36120400 0.18605775 0.28354186 0.03988962  -0.00406747 -0.00550302 177 LEU   A H    
1074 H  HA   . LEU   A 65  ? 0.39990723 0.21268220 0.28558362 0.00364483  -0.00877327 -0.00683340 177 LEU   A HA   
1075 H  HB2  . LEU   A 65  ? 0.39762864 0.20927630 0.31135386 0.01000760  -0.00814566 -0.02156824 177 LEU   A HB2  
1076 H  HB3  . LEU   A 65  ? 0.40066341 0.21079606 0.31181195 0.00791198  -0.00770935 -0.02162297 177 LEU   A HB3  
1077 H  HG   . LEU   A 65  ? 0.44162434 0.21287353 0.32484615 0.01625686  -0.00995398 -0.03119129 177 LEU   A HG   
1078 H  HD11 . LEU   A 65  ? 0.45707053 0.24126510 0.37192893 -0.00515924 -0.01572599 -0.01353844 177 LEU   A HD11 
1079 H  HD12 . LEU   A 65  ? 0.45430940 0.24001779 0.37638539 -0.00265437 -0.01571102 -0.01569240 177 LEU   A HD12 
1080 H  HD13 . LEU   A 65  ? 0.45451531 0.24294655 0.37613702 -0.00164242 -0.01480801 -0.00922995 177 LEU   A HD13 
1081 H  HD21 . LEU   A 65  ? 0.50456756 0.21568526 0.34584278 0.05779465  -0.00719561 -0.01781184 177 LEU   A HD21 
1082 H  HD22 . LEU   A 65  ? 0.49839610 0.21599424 0.34933323 0.05451814  -0.00642386 -0.01508757 177 LEU   A HD22 
1083 H  HD23 . LEU   A 65  ? 0.49843550 0.21414585 0.34859508 0.05436234  -0.00681848 -0.01875828 177 LEU   A HD23 
1084 N  N    . ASP   A 66  ? 0.43819392 0.25051400 0.30361864 0.05631208  -0.00610752 -0.03239372 178 ASP   A N    
1085 C  CA   . ASP   A 66  ? 0.48997802 0.23668040 0.32648829 0.00490291  -0.00432958 -0.00249864 178 ASP   A CA   
1086 C  C    . ASP   A 66  ? 0.46418980 0.22772026 0.29553351 0.02917931  -0.00206926 0.02402698  178 ASP   A C    
1087 O  O    . ASP   A 66  ? 0.51899701 0.27039516 0.28196904 0.03634455  -0.01736354 0.04329824  178 ASP   A O    
1088 C  CB   . ASP   A 66  ? 0.54530340 0.29911119 0.34285313 -0.00509645 -0.03138587 -0.06335752 178 ASP   A CB   
1089 C  CG   . ASP   A 66  ? 0.50290108 0.33261117 0.44441697 -0.05651851 0.00678195  -0.08889088 178 ASP   A CG   
1090 O  OD1  . ASP   A 66  ? 0.58363765 0.43663156 0.51704174 0.00175713  -0.05535679 -0.21038130 178 ASP   A OD1  
1091 O  OD2  . ASP   A 66  ? 0.57078332 0.48536387 0.60570353 -0.06114190 -0.09326027 -0.16755797 178 ASP   A OD2  
1092 H  H    . ASP   A 66  ? 0.42936435 0.24877170 0.29595387 0.04120796  -0.00987194 -0.02031893 178 ASP   A H    
1093 H  HA   . ASP   A 66  ? 0.48865676 0.24847597 0.32272059 0.01564379  -0.00975458 -0.01102682 178 ASP   A HA   
1094 H  HB2  . ASP   A 66  ? 0.53136498 0.29293162 0.35939291 -0.01150629 -0.02253527 -0.05317021 178 ASP   A HB2  
1095 H  HB3  . ASP   A 66  ? 0.52848643 0.29259059 0.35665217 -0.01067219 -0.01978732 -0.05298933 178 ASP   A HB3  
1096 N  N    . ASN   A 67  ? 0.46345681 0.19636677 0.34309816 0.01434968  0.00376334  0.02403549  179 ASN   A N    
1097 C  CA   . ASN   A 67  ? 0.45482513 0.20086528 0.31425840 -0.03058038 0.02862690  0.05741438  179 ASN   A CA   
1098 C  C    . ASN   A 67  ? 0.46055472 0.18090911 0.33235925 0.00404979  0.02591720  0.04912898  179 ASN   A C    
1099 O  O    . ASN   A 67  ? 0.54446405 0.18231419 0.40013474 -0.00886657 -0.03018921 0.06911411  179 ASN   A O    
1100 C  CB   . ASN   A 67  ? 0.49139503 0.18834653 0.32367176 -0.00137060 0.02771535  0.07133100  179 ASN   A CB   
1101 C  CG   . ASN   A 67  ? 0.51573122 0.17834361 0.35821855 -0.04873937 0.02962051  0.11594227  179 ASN   A CG   
1102 O  OD1  . ASN   A 67  ? 0.55302018 0.22538847 0.38821045 -0.03660029 -0.00890664 0.02568879  179 ASN   A OD1  
1103 N  ND2  . ASN   A 67  ? 0.57918525 0.17106105 0.45302722 -0.02141027 0.03390282  0.12959194  179 ASN   A ND2  
1104 H  H    . ASN   A 67  ? 0.46203989 0.20649338 0.32746041 0.00846697  0.00782207  0.02898125  179 ASN   A H    
1105 H  HA   . ASN   A 67  ? 0.46294358 0.19624756 0.32314387 -0.01297281 0.02248432  0.05301268  179 ASN   A HA   
1106 H  HB2  . ASN   A 67  ? 0.48743311 0.18610385 0.32459486 -0.01400363 0.02889180  0.07397693  179 ASN   A HB2  
1107 H  HB3  . ASN   A 67  ? 0.48644686 0.18617295 0.32752788 -0.01314231 0.02740508  0.07831109  179 ASN   A HB3  
1108 H  HD21 . ASN   A 67  ? 0.56347167 0.17607687 0.42320162 -0.03006314 0.03733755  0.12295617  179 ASN   A HD21 
1109 H  HD22 . ASN   A 67  ? 0.56733268 0.17761657 0.42196482 -0.02451462 0.03530796  0.12535928  179 ASN   A HD22 
1110 N  N    . ASN   A 68  ? 0.42503011 0.24640796 0.30418018 0.03449131  0.04818922  0.04576403  180 ASN   A N    
1111 C  CA   . ASN   A 68  ? 0.50136775 0.20385122 0.33774236 0.06161249  0.03142902  0.03168407  180 ASN   A CA   
1112 C  C    . ASN   A 68  ? 0.52309501 0.19216079 0.29304621 0.06468175  0.01023619  -0.00747701 180 ASN   A C    
1113 O  O    . ASN   A 68  ? 0.47316560 0.19356889 0.29714751 0.03062912  -0.01882842 0.01980280  180 ASN   A O    
1114 C  CB   . ASN   A 68  ? 0.52521652 0.29788157 0.35119417 0.07855082  -0.01476383 0.00466050  180 ASN   A CB   
1115 C  CG   . ASN   A 68  ? 0.60823643 0.35609064 0.37103492 0.05602097  -0.00528795 -0.03965941 180 ASN   A CG   
1116 O  OD1  . ASN   A 68  ? 0.80016536 0.48242143 0.42108363 0.05646214  -0.02582371 -0.17232388 180 ASN   A OD1  
1117 N  ND2  . ASN   A 68  ? 0.70385736 0.37049115 0.38876799 0.06379159  0.02201073  -0.00209191 180 ASN   A ND2  
1118 H  H    . ASN   A 68  ? 0.44718990 0.24000283 0.31712580 0.03331492  0.03922669  0.04453590  180 ASN   A H    
1119 H  HA   . ASN   A 68  ? 0.49480623 0.20849794 0.32580081 0.05813582  0.02557181  0.02636359  180 ASN   A HA   
1120 H  HB2  . ASN   A 68  ? 0.53510445 0.29436266 0.35234067 0.07257103  -0.00348416 0.00117052  180 ASN   A HB2  
1121 H  HB3  . ASN   A 68  ? 0.53463954 0.28881902 0.35223070 0.07159629  -0.00320604 0.00282211  180 ASN   A HB3  
1122 H  HD21 . ASN   A 68  ? 0.67120695 0.37006232 0.38727164 0.06443176  0.01605402  -0.00510106 180 ASN   A HD21 
1123 H  HD22 . ASN   A 68  ? 0.67520285 0.36803520 0.38517696 0.06316242  0.01486183  -0.01122575 180 ASN   A HD22 
1124 N  N    . TRP   A 69  ? 0.42977583 0.08646089 0.31588268 0.06699798  -0.00044106 0.04088801  181 TRP   A N    
1125 C  CA   . TRP   A 69  ? 0.43071267 0.10469529 0.31392825 0.07209037  -0.00810979 0.00910620  181 TRP   A CA   
1126 C  C    . TRP   A 69  ? 0.41933861 0.17429082 0.34233806 0.07749814  -0.02960993 -0.01212408 181 TRP   A C    
1127 O  O    . TRP   A 69  ? 0.41695014 0.26844907 0.36143956 0.09043813  -0.01793506 0.01383425  181 TRP   A O    
1128 C  CB   . TRP   A 69  ? 0.43569180 0.11366841 0.30828169 0.03727296  -0.00762632 0.00693495  181 TRP   A CB   
1129 C  CG   . TRP   A 69  ? 0.43122363 0.11724946 0.31712335 0.04825745  -0.02478290 0.01198152  181 TRP   A CG   
1130 C  CD1  . TRP   A 69  ? 0.42427313 0.17511907 0.34221199 0.02746304  0.01598684  0.01503316  181 TRP   A CD1  
1131 C  CD2  . TRP   A 69  ? 0.37410066 0.11828434 0.31477576 0.04211228  -0.01346318 -0.01754029 181 TRP   A CD2  
1132 N  NE1  . TRP   A 69  ? 0.43512616 0.13519812 0.32408389 -0.03264621 -0.00775079 0.02978465  181 TRP   A NE1  
1133 C  CE2  . TRP   A 69  ? 0.41512030 0.13877067 0.33040458 0.00498980  0.00274354  0.02197473  181 TRP   A CE2  
1134 C  CE3  . TRP   A 69  ? 0.40155685 0.09916199 0.34730124 0.01058921  -0.00663455 -0.02716893 181 TRP   A CE3  
1135 C  CZ2  . TRP   A 69  ? 0.38722363 0.15738720 0.31928599 -0.01094695 0.02009067  0.01522588  181 TRP   A CZ2  
1136 C  CZ3  . TRP   A 69  ? 0.37926263 0.12122904 0.36238140 0.01612940  -0.00629447 -0.01707956 181 TRP   A CZ3  
1137 C  CH2  . TRP   A 69  ? 0.37347302 0.14444163 0.33790430 0.02184403  -0.01057348 0.02730144  181 TRP   A CH2  
1138 H  H    . TRP   A 69  ? 0.44571394 0.08586522 0.30889291 0.06572521  0.00138444  0.03461448  181 TRP   A H    
1139 H  HA   . TRP   A 69  ? 0.42760423 0.11162840 0.31686124 0.06916831  -0.01107030 0.01321721  181 TRP   A HA   
1140 H  HB2  . TRP   A 69  ? 0.43538752 0.11718191 0.31177852 0.04352074  -0.00946600 0.00627099  181 TRP   A HB2  
1141 H  HB3  . TRP   A 69  ? 0.43364811 0.11440659 0.30912527 0.04530609  -0.01000149 0.00832077  181 TRP   A HB3  
1142 H  HD1  . TRP   A 69  ? 0.42976499 0.15771128 0.33668154 0.01682303  0.00631399  0.01189193  181 TRP   A HD1  
1143 H  HE1  . TRP   A 69  ? 0.42346698 0.13890506 0.32744578 -0.01661407 0.00164696  0.02717973  181 TRP   A HE1  
1144 H  HE3  . TRP   A 69  ? 0.39186588 0.10865934 0.34368065 0.01823172  -0.00766231 -0.02180026 181 TRP   A HE3  
1145 H  HZ2  . TRP   A 69  ? 0.38467047 0.14907828 0.32499379 -0.00297930 0.01158875  0.01897375  181 TRP   A HZ2  
1146 H  HZ3  . TRP   A 69  ? 0.38372299 0.12587136 0.35629264 0.01639090  -0.00692976 -0.01332297 181 TRP   A HZ3  
1147 H  HH2  . TRP   A 69  ? 0.37182650 0.14049086 0.33742929 0.01628979  -0.00753066 0.01699802  181 TRP   A HH2  
1148 N  N    . GLY   A 70  ? 0.42161670 0.21544205 0.32985947 0.03780966  0.00399169  -0.01582729 182 GLY   A N    
1149 C  CA   . GLY   A 70  ? 0.42632720 0.19786279 0.31504145 0.02886759  0.00892139  0.00978036  182 GLY   A CA   
1150 C  C    . GLY   A 70  ? 0.39974037 0.21740702 0.29878587 0.03043377  -0.00651807 -0.00519304 182 GLY   A C    
1151 O  O    . GLY   A 70  ? 0.37474421 0.23844782 0.34326833 -0.00084742 0.00202162  0.01726357  182 GLY   A O    
1152 H  H    . GLY   A 70  ? 0.42667767 0.20234045 0.33041164 0.04256860  0.00053588  -0.01096836 182 GLY   A H    
1153 H  HA2  . GLY   A 70  ? 0.42121905 0.20433359 0.31675828 0.03147654  0.00625407  0.00222879  182 GLY   A HA2  
1154 H  HA3  . GLY   A 70  ? 0.42034620 0.19862124 0.31519121 0.03143991  0.00489364  0.00377209  182 GLY   A HA3  
1155 N  N    . ARG   A 71  ? 0.38657951 0.21146609 0.32599300 0.02089072  -0.01245946 -0.02713372 183 ARG   A N    
1156 C  CA   . ARG   A 71  ? 0.36193633 0.24837816 0.33558983 0.02800965  0.01096030  0.00951707  183 ARG   A CA   
1157 C  C    . ARG   A 71  ? 0.38414213 0.19059196 0.32928365 0.01190884  -0.00412622 -0.00479732 183 ARG   A C    
1158 O  O    . ARG   A 71  ? 0.40117997 0.19489738 0.32936251 0.01525707  0.01275036  0.01848469  183 ARG   A O    
1159 C  CB   . ARG   A 71  ? 0.38244978 0.31860822 0.37597725 0.01133321  -0.00064802 0.01482648  183 ARG   A CB   
1160 C  CG   . ARG   A 71  ? 0.45908922 0.41437981 0.44337642 0.02427474  0.02193530  -0.00449062 183 ARG   A CG   
1161 C  CD   . ARG   A 71  ? 0.47975576 0.43409094 0.52138823 0.05325232  0.02518283  0.00377012  183 ARG   A CD   
1162 N  NE   . ARG   A 71  ? 0.47245967 0.38056022 0.49430472 0.11727488  0.05451287  -0.01589213 183 ARG   A NE   
1163 C  CZ   . ARG   A 71  ? 0.47442323 0.30473012 0.44801453 0.06847410  0.03770776  0.02836839  183 ARG   A CZ   
1164 N  NH1  . ARG   A 71  ? 0.46349934 0.34763348 0.40329945 0.08307321  0.02815480  0.00306042  183 ARG   A NH1  
1165 N  NH2  . ARG   A 71  ? 0.43242693 0.29871771 0.45144138 0.07536186  0.05844882  0.06927074  183 ARG   A NH2  
1166 H  H    . ARG   A 71  ? 0.38597786 0.20957716 0.32233983 0.02272955  -0.00649070 -0.01740761 183 ARG   A H    
1167 H  HA   . ARG   A 71  ? 0.37354812 0.23895416 0.33802670 0.02231092  0.00313227  0.00122472  183 ARG   A HA   
1168 H  HB2  . ARG   A 71  ? 0.38570520 0.31560802 0.37281382 0.01775667  0.00338797  0.01156150  183 ARG   A HB2  
1169 H  HB3  . ARG   A 71  ? 0.38757119 0.31740519 0.37415677 0.01620818  0.00517026  0.01117069  183 ARG   A HB3  
1170 H  HG2  . ARG   A 71  ? 0.44564953 0.39388913 0.44108051 0.02482896  0.02315046  -0.00120778 183 ARG   A HG2  
1171 H  HG3  . ARG   A 71  ? 0.44286072 0.40318185 0.43506536 0.02670300  0.01960313  0.00205719  183 ARG   A HG3  
1172 H  HD2  . ARG   A 71  ? 0.47290495 0.42895010 0.50242770 0.06162705  0.02985142  0.00158677  183 ARG   A HD2  
1173 H  HD3  . ARG   A 71  ? 0.47481152 0.42060757 0.51156074 0.06178936  0.02635683  0.00128901  183 ARG   A HD3  
1174 H  HE   . ARG   A 71  ? 0.47457820 0.37082067 0.48779553 0.09443016  0.04661012  -0.00024182 183 ARG   A HE   
1175 H  HH11 . ARG   A 71  ? 0.46533629 0.33886153 0.41568452 0.07916857  0.03076609  0.01193739  183 ARG   A HH11 
1176 H  HH12 . ARG   A 71  ? 0.46359020 0.33961946 0.41514623 0.08007018  0.02904359  0.01163211  183 ARG   A HH12 
1177 H  HH21 . ARG   A 71  ? 0.44369048 0.30050403 0.45093232 0.07547136  0.05393824  0.05844356  183 ARG   A HH21 
1178 H  HH22 . ARG   A 71  ? 0.44446340 0.30363953 0.45424762 0.07535216  0.05477309  0.06043494  183 ARG   A HH22 
1179 N  N    . GLU   A 72  ? 0.37920663 0.16983581 0.32638025 0.02981567  -0.00793783 -0.00935309 184 GLU   A N    
1180 C  CA   . GLU   A 72  ? 0.35671666 0.09399530 0.33195266 0.02090218  0.00714295  -0.05288415 184 GLU   A CA   
1181 C  C    . GLU   A 72  ? 0.34853476 0.16440581 0.33679384 0.02268029  -0.01306075 -0.03116585 184 GLU   A C    
1182 O  O    . GLU   A 72  ? 0.35259551 0.16816281 0.37063953 0.01787860  -0.02560675 0.00098910  184 GLU   A O    
1183 C  CB   . GLU   A 72  ? 0.34880319 0.09423256 0.33281377 0.02191398  -0.00103290 -0.04163378 184 GLU   A CB   
1184 C  CG   . GLU   A 72  ? 0.36512026 0.19092916 0.35377100 0.03268995  0.01024846  -0.05777060 184 GLU   A CG   
1185 C  CD   . GLU   A 72  ? 0.38722730 0.20041329 0.40287727 0.02204905  0.00123176  -0.03169180 184 GLU   A CD   
1186 O  OE1  . GLU   A 72  ? 0.45354265 0.20979515 0.40895960 0.04857511  0.00963107  -0.00325086 184 GLU   A OE1  
1187 O  OE2  . GLU   A 72  ? 0.45475391 0.13894126 0.36078453 -0.00223101 -0.01002265 0.00102902  184 GLU   A OE2  
1188 H  H    . GLU   A 72  ? 0.37430239 0.15498906 0.32815447 0.02487377  -0.00403398 -0.01742019 184 GLU   A H    
1189 H  HA   . GLU   A 72  ? 0.35496214 0.11582255 0.33238694 0.02470769  0.00182200  -0.03996203 184 GLU   A HA   
1190 H  HB2  . GLU   A 72  ? 0.35117304 0.10926623 0.33636522 0.02529101  0.00226349  -0.04558627 184 GLU   A HB2  
1191 H  HB3  . GLU   A 72  ? 0.35277894 0.10964078 0.33436990 0.02393503  0.00158843  -0.04618328 184 GLU   A HB3  
1192 H  HG2  . GLU   A 72  ? 0.36631969 0.16872579 0.35615614 0.02838839  0.00673458  -0.04872452 184 GLU   A HG2  
1193 H  HG3  . GLU   A 72  ? 0.36530241 0.16835378 0.35536221 0.02881163  0.00643542  -0.04897064 184 GLU   A HG3  
1194 N  N    . GLU   A 73  ? 0.33487442 0.14621937 0.32043025 0.03509464  0.01589501  0.02024223  185 GLU   A N    
1195 C  CA   . GLU   A 73  ? 0.36881188 0.21869718 0.31209049 0.02911828  -0.00975810 0.01217117  185 GLU   A CA   
1196 C  C    . GLU   A 73  ? 0.37943608 0.24995506 0.31284952 0.02147441  0.00594301  0.00616600  185 GLU   A C    
1197 O  O    . GLU   A 73  ? 0.38601300 0.25434259 0.36842614 0.03968471  0.02605815  -0.05419983 185 GLU   A O    
1198 C  CB   . GLU   A 73  ? 0.40185538 0.21384661 0.34326273 0.00910229  -0.02394039 0.01480489  185 GLU   A CB   
1199 C  CG   . GLU   A 73  ? 0.43696848 0.22248603 0.33948189 -0.00907211 -0.01366267 0.01526773  185 GLU   A CG   
1200 C  CD   . GLU   A 73  ? 0.50603944 0.22779480 0.32354343 0.01753072  -0.01152255 -0.01062906 185 GLU   A CD   
1201 O  OE1  . GLU   A 73  ? 0.54198986 0.21093945 0.32727116 0.00205042  0.05228352  0.01202693  185 GLU   A OE1  
1202 O  OE2  . GLU   A 73  ? 0.53528923 0.18010353 0.32357648 -0.06554504 -0.00689137 0.02027560  185 GLU   A OE2  
1203 H  H    . GLU   A 73  ? 0.33708993 0.16199395 0.32252270 0.03298961  0.00829434  0.00700964  185 GLU   A H    
1204 H  HA   . GLU   A 73  ? 0.36918709 0.20903805 0.31904936 0.02602060  -0.00411539 0.01300025  185 GLU   A HA   
1205 H  HB2  . GLU   A 73  ? 0.40263304 0.21614537 0.33754379 0.00981683  -0.01946028 0.01420155  185 GLU   A HB2  
1206 H  HB3  . GLU   A 73  ? 0.40220594 0.21622202 0.34051290 0.01000850  -0.01954404 0.01358213  185 GLU   A HB3  
1207 H  HG2  . GLU   A 73  ? 0.44045264 0.22155830 0.33691007 -0.00040369 -0.01446265 0.01062447  185 GLU   A HG2  
1208 H  HG3  . GLU   A 73  ? 0.44125763 0.22100678 0.33677065 -0.00064633 -0.01448820 0.01075257  185 GLU   A HG3  
1209 N  N    . ARG   A 74  ? 0.36987972 0.25766119 0.33011183 0.02785091  0.00395783  -0.01466673 186 ARG   A N    
1210 C  CA   . ARG   A 74  ? 0.36328378 0.27970794 0.33745265 0.01035330  -0.01089608 -0.01281952 186 ARG   A CA   
1211 C  C    . ARG   A 74  ? 0.38840804 0.31256318 0.35341263 -0.00730646 0.03680037  -0.02358381 186 ARG   A C    
1212 O  O    . ARG   A 74  ? 0.44317025 0.31765181 0.40235791 -0.03684811 0.05451664  0.01113226  186 ARG   A O    
1213 C  CB   . ARG   A 74  ? 0.41449398 0.30169883 0.36439276 0.04156628  -0.00650391 -0.02621704 186 ARG   A CB   
1214 C  CG   . ARG   A 74  ? 0.42763939 0.28033617 0.37727016 0.00608927  -0.00424191 -0.05191582 186 ARG   A CG   
1215 C  CD   . ARG   A 74  ? 0.42831653 0.20000055 0.43236274 0.01370987  0.01495732  -0.04523283 186 ARG   A CD   
1216 N  NE   . ARG   A 74  ? 0.44465470 0.26322028 0.38951772 0.02565658  0.02472397  -0.03679808 186 ARG   A NE   
1217 C  CZ   . ARG   A 74  ? 0.47568059 0.23295781 0.37485793 0.02626157  0.01832550  -0.02840704 186 ARG   A CZ   
1218 N  NH1  . ARG   A 74  ? 0.52109051 0.23466867 0.37677211 0.02913227  0.02422580  -0.01219691 186 ARG   A NH1  
1219 N  NH2  . ARG   A 74  ? 0.54402262 0.10645266 0.39408931 0.06838588  0.00882552  0.01358854  186 ARG   A NH2  
1220 H  H    . ARG   A 74  ? 0.37133366 0.25923321 0.32853779 0.02327627  0.00169152  -0.00949847 186 ARG   A H    
1221 H  HA   . ARG   A 74  ? 0.37173352 0.28146389 0.34277570 0.01482617  0.00170401  -0.01611239 186 ARG   A HA   
1222 H  HB2  . ARG   A 74  ? 0.41175321 0.29349574 0.36154872 0.03069782  -0.00643561 -0.02723535 186 ARG   A HB2  
1223 H  HB3  . ARG   A 74  ? 0.40749496 0.29630288 0.36401314 0.03090911  -0.00537892 -0.02450788 186 ARG   A HB3  
1224 H  HG2  . ARG   A 74  ? 0.42496890 0.26741445 0.38521490 0.01326830  -0.00065116 -0.04469485 186 ARG   A HG2  
1225 H  HG3  . ARG   A 74  ? 0.42579255 0.26820698 0.38482776 0.01418582  -0.00068091 -0.04438870 186 ARG   A HG3  
1226 H  HD2  . ARG   A 74  ? 0.42845845 0.22632225 0.41523778 0.01336873  0.01336056  -0.04528398 186 ARG   A HD2  
1227 H  HD3  . ARG   A 74  ? 0.43182713 0.22710298 0.41443282 0.01624286  0.01548781  -0.04496076 186 ARG   A HD3  
1228 H  HE   . ARG   A 74  ? 0.44949910 0.24231675 0.39411831 0.02410677  0.02125856  -0.03592869 186 ARG   A HE   
1229 H  HH11 . ARG   A 74  ? 0.50977564 0.23541670 0.37663746 0.02984256  0.02293346  -0.01623263 186 ARG   A HH11 
1230 H  HH12 . ARG   A 74  ? 0.50742245 0.23434643 0.37609714 0.02828017  0.02328999  -0.01625298 186 ARG   A HH12 
1231 H  HH21 . ARG   A 74  ? 0.52389580 0.13706018 0.39006165 0.05307257  0.01201471  0.00141497  186 ARG   A HH21 
1232 H  HH22 . ARG   A 74  ? 0.52482063 0.14375220 0.39229241 0.05655139  0.01242559  0.00345906  186 ARG   A HH22 
1233 N  N    . GLN   A 75  ? 0.39602789 0.22781567 0.34149951 -0.00354059 0.03179410  -0.00407452 187 GLN   A N    
1234 C  CA   . GLN   A 75  ? 0.44400200 0.27826619 0.34434658 -0.02766727 0.04518887  -0.03611886 187 GLN   A CA   
1235 C  C    . GLN   A 75  ? 0.48695374 0.26282036 0.35485679 0.00835321  0.05617072  -0.04511060 187 GLN   A C    
1236 O  O    . GLN   A 75  ? 0.48077121 0.26079220 0.36620453 -0.00830932 0.01792257  -0.06919437 187 GLN   A O    
1237 C  CB   . GLN   A 75  ? 0.51908386 0.32315570 0.47122699 0.00111880  0.05520204  0.01595991  187 GLN   A CB   
1238 C  CG   . GLN   A 75  ? 0.63411278 0.37382925 0.55702841 0.00854973  0.06161904  0.00477711  187 GLN   A CG   
1239 C  CD   . GLN   A 75  ? 0.65994531 0.32974371 0.74188709 -0.03175650 0.09090060  0.06185070  187 GLN   A CD   
1240 O  OE1  . GLN   A 75  ? 0.68912995 0.44086134 0.90402931 0.06230520  0.07961217  0.15947738  187 GLN   A OE1  
1241 N  NE2  . GLN   A 75  ? 0.76634818 0.35514408 0.92814404 0.00423426  0.12066981  0.09508747  187 GLN   A NE2  
1242 H  H    . GLN   A 75  ? 0.40049547 0.25242078 0.34442061 -0.00976175 0.03736404  -0.01166462 187 GLN   A H    
1243 H  HA   . GLN   A 75  ? 0.44465786 0.27158353 0.35696870 -0.01470703 0.04742320  -0.02490827 187 GLN   A HA   
1244 H  HB2  . GLN   A 75  ? 0.51414406 0.32405010 0.44995633 0.00058463  0.05553536  0.00689753  187 GLN   A HB2  
1245 H  HB3  . GLN   A 75  ? 0.51453811 0.31712484 0.44995588 -0.00085454 0.05106293  0.00413533  187 GLN   A HB3  
1246 H  HG2  . GLN   A 75  ? 0.61793876 0.36262667 0.56292355 -0.00064902 0.06884478  0.02024777  187 GLN   A HG2  
1247 H  HG3  . GLN   A 75  ? 0.61139077 0.36261213 0.55816692 0.00226655  0.06836995  0.01932557  187 GLN   A HG3  
1248 H  HE21 . GLN   A 75  ? 0.74399000 0.35385093 0.86684722 -0.00873416 0.10783890  0.08841649  187 GLN   A HE21 
1249 H  HE22 . GLN   A 75  ? 0.74433970 0.35567060 0.87650514 0.00091426  0.10510099  0.08168638  187 GLN   A HE22 
1250 N  N    . SER   A 76  ? 0.46653989 0.35218242 0.41194156 0.02724605  0.07066990  -0.04987514 188 SER   A N    
1251 C  CA   . SER   A 76  ? 0.52850676 0.41985691 0.41965517 0.03244631  0.05390473  -0.07455374 188 SER   A CA   
1252 C  C    . SER   A 76  ? 0.53907400 0.35630012 0.45624861 0.03689785  0.01911662  -0.04583913 188 SER   A C    
1253 O  O    . SER   A 76  ? 0.51728159 0.29270214 0.49669886 0.03815364  0.02471696  -0.00381375 188 SER   A O    
1254 C  CB   . SER   A 76  ? 0.56565279 0.50371057 0.48861116 0.06360447  0.08937192  -0.08180255 188 SER   A CB   
1255 O  OG   . SER   A 76  ? 0.60767204 0.66562217 0.65010780 0.02492420  0.08906177  -0.06442954 188 SER   A OG   
1256 H  H    . SER   A 76  ? 0.47803113 0.34027335 0.39994079 0.02245551  0.06620435  -0.05213207 188 SER   A H    
1257 H  HA   . SER   A 76  ? 0.52393407 0.40481284 0.43398941 0.03653467  0.05611767  -0.06697813 188 SER   A HA   
1258 H  HB2  . SER   A 76  ? 0.56104720 0.51119977 0.49235880 0.05288686  0.07960123  -0.07724842 188 SER   A HB2  
1259 H  HB3  . SER   A 76  ? 0.56121999 0.51234990 0.49332708 0.05317283  0.08013010  -0.07660436 188 SER   A HB3  
1260 H  HG   . SER   A 76  ? 0.57832861 0.57832861 0.57832861 0.00000000  0.00000000  0.00000000  188 SER   A HG   
1261 N  N    . VAL   A 77  ? 0.50737494 0.25780675 0.36182541 -0.03307254 0.00634875  -0.08131969 189 VAL   A N    
1262 C  CA   . VAL   A 77  ? 0.49008325 0.21549380 0.38394886 -0.00391543 0.03081783  -0.05380603 189 VAL   A CA   
1263 C  C    . VAL   A 77  ? 0.45394179 0.16750693 0.30992305 -0.01315170 0.00893736  -0.02867571 189 VAL   A C    
1264 O  O    . VAL   A 77  ? 0.48092201 0.21296568 0.33105403 -0.05826637 0.04451124  -0.04917067 189 VAL   A O    
1265 C  CB   . VAL   A 77  ? 0.51878667 0.26802775 0.51873744 -0.02872322 0.01233560  0.02360568  189 VAL   A CB   
1266 C  CG1  . VAL   A 77  ? 0.57013834 0.17713338 0.56554091 0.04163370  -0.00763819 0.06543891  189 VAL   A CG1  
1267 C  CG2  . VAL   A 77  ? 0.58793348 0.26751667 0.52794909 -0.02677026 0.06402713  0.02462346  189 VAL   A CG2  
1268 H  H    . VAL   A 77  ? 0.49892867 0.25362569 0.38090873 -0.02480192 0.01161381  -0.07103643 189 VAL   A H    
1269 H  HA   . VAL   A 77  ? 0.48935840 0.21774338 0.37299472 -0.01152735 0.02219643  -0.04633571 189 VAL   A HA   
1270 H  HB   . VAL   A 77  ? 0.52779520 0.25193664 0.50786942 -0.01232129 0.02065557  0.02451187  189 VAL   A HB   
1271 H  HG11 . VAL   A 77  ? 0.55948716 0.20018256 0.55584532 0.02456130  -0.00175467 0.05873557  189 VAL   A HG11 
1272 H  HG12 . VAL   A 77  ? 0.56425023 0.19858928 0.55375206 0.02485994  -0.00494157 0.05625220  189 VAL   A HG12 
1273 H  HG13 . VAL   A 77  ? 0.55928922 0.18482395 0.55197650 0.02275394  -0.00127563 0.06154551  189 VAL   A HG13 
1274 H  HG21 . VAL   A 77  ? 0.57106435 0.26705965 0.52609140 -0.02640184 0.05312970  0.02420683  189 VAL   A HG21 
1275 H  HG22 . VAL   A 77  ? 0.57518452 0.26731029 0.52775586 -0.02721222 0.05683462  0.02268079  189 VAL   A HG22 
1276 H  HG23 . VAL   A 77  ? 0.57106584 0.26712367 0.52633172 -0.02642292 0.05311604  0.02444798  189 VAL   A HG23 
1277 N  N    . PHE   A 78  ? 0.41694114 0.17476764 0.33806676 0.02232529  0.03685053  -0.05550412 190 PHE   A N    
1278 C  CA   . PHE   A 78  ? 0.38228801 0.10980288 0.34216177 0.07551154  0.02684780  -0.05067160 190 PHE   A CA   
1279 C  C    . PHE   A 78  ? 0.45617217 0.16479194 0.35030472 0.05313571  -0.01367552 -0.07161714 190 PHE   A C    
1280 O  O    . PHE   A 78  ? 0.52177805 0.15687659 0.42099088 0.06731059  -0.06924571 -0.10668132 190 PHE   A O    
1281 C  CB   . PHE   A 78  ? 0.38996235 0.09263328 0.35427523 0.05410144  -0.01656590 -0.04621471 190 PHE   A CB   
1282 C  CG   . PHE   A 78  ? 0.40256742 0.13640022 0.36771977 0.08353813  -0.00825293 -0.04356889 190 PHE   A CG   
1283 C  CD1  . PHE   A 78  ? 0.41479474 0.07605806 0.37187409 0.08987340  -0.00608609 -0.04990695 190 PHE   A CD1  
1284 C  CD2  . PHE   A 78  ? 0.40519297 0.04902013 0.36871734 0.04513397  -0.00417669 -0.03966840 190 PHE   A CD2  
1285 C  CE1  . PHE   A 78  ? 0.42472285 0.12818842 0.40264931 0.11010988  -0.00495262 -0.03285249 190 PHE   A CE1  
1286 C  CE2  . PHE   A 78  ? 0.39995319 0.10104588 0.39490551 0.05812662  0.00358695  -0.04362220 190 PHE   A CE2  
1287 C  CZ   . PHE   A 78  ? 0.37693179 0.12079979 0.40310287 0.10270393  -0.03027903 -0.02278246 190 PHE   A CZ   
1288 H  H    . PHE   A 78  ? 0.41893944 0.16007306 0.33401266 0.02574168  0.02885968  -0.04947906 190 PHE   A H    
1289 H  HA   . PHE   A 78  ? 0.40074036 0.12359358 0.33927733 0.06137477  0.01787195  -0.05677027 190 PHE   A HA   
1290 H  HB2  . PHE   A 78  ? 0.38854691 0.10260600 0.35369897 0.06387969  -0.00797857 -0.04678660 190 PHE   A HB2  
1291 H  HB3  . PHE   A 78  ? 0.39167750 0.10223649 0.35303840 0.06375389  -0.00716633 -0.04807705 190 PHE   A HB3  
1292 H  HD1  . PHE   A 78  ? 0.41441360 0.09674962 0.37424329 0.09222244  -0.00661346 -0.04529077 190 PHE   A HD1  
1293 H  HD2  . PHE   A 78  ? 0.40001118 0.07347973 0.37391239 0.05435310  -0.00495373 -0.04089867 190 PHE   A HD2  
1294 H  HE1  . PHE   A 78  ? 0.41871694 0.11539307 0.39574304 0.10659969  -0.00786726 -0.03277467 190 PHE   A HE1  
1295 H  HE2  . PHE   A 78  ? 0.39715174 0.09331562 0.39337763 0.06429256  -0.00375730 -0.03835405 190 PHE   A HE2  
1296 H  HZ   . PHE   A 78  ? 0.39217854 0.11712336 0.40219390 0.09533246  -0.01912676 -0.03011342 190 PHE   A HZ   
1297 N  N    . PRO   A 79  ? 0.45654973 0.15283236 0.35226288 0.05507722  -0.00548027 -0.03698376 191 PRO   A N    
1298 C  CA   . PRO   A 79  ? 0.47508067 0.15485585 0.36546558 0.07710481  -0.01348869 -0.02969337 191 PRO   A CA   
1299 C  C    . PRO   A 79  ? 0.45576775 0.27081603 0.33816549 0.06871071  -0.01737030 0.01725035  191 PRO   A C    
1300 O  O    . PRO   A 79  ? 0.49856991 0.38293946 0.44559026 0.08292247  -0.03892173 0.11646885  191 PRO   A O    
1301 C  CB   . PRO   A 79  ? 0.50979322 0.15175876 0.39141345 0.10729697  -0.03753597 -0.01886757 191 PRO   A CB   
1302 C  CG   . PRO   A 79  ? 0.53002107 0.14576074 0.42226261 0.06139421  -0.04087037 -0.07078316 191 PRO   A CG   
1303 C  CD   . PRO   A 79  ? 0.50871134 0.17398344 0.36695966 0.04553936  -0.01032022 -0.05337222 191 PRO   A CD   
1304 H  HA   . PRO   A 79  ? 0.47380787 0.17014238 0.36137158 0.07685062  -0.01497968 -0.02335816 191 PRO   A HA   
1305 H  HB2  . PRO   A 79  ? 0.50235796 0.15190373 0.39183101 0.09473769  -0.03492714 -0.02930656 191 PRO   A HB2  
1306 H  HB3  . PRO   A 79  ? 0.50711280 0.15178910 0.39310992 0.09444953  -0.03484257 -0.03098230 191 PRO   A HB3  
1307 H  HG2  . PRO   A 79  ? 0.52606624 0.15115756 0.40684959 0.06732062  -0.03727920 -0.05780035 191 PRO   A HG2  
1308 H  HG3  . PRO   A 79  ? 0.52198982 0.14331996 0.40527061 0.06463665  -0.03510348 -0.05822030 191 PRO   A HG3  
1309 H  HD2  . PRO   A 79  ? 0.50075161 0.16359626 0.37096068 0.05123291  -0.01348950 -0.05123681 191 PRO   A HD2  
1310 H  HD3  . PRO   A 79  ? 0.50194675 0.16411740 0.37333861 0.05150557  -0.01391612 -0.05182181 191 PRO   A HD3  
1311 N  N    . PHE   A 80  ? 0.45451438 0.26308671 0.30071589 0.09274356  -0.01783585 -0.00852092 192 PHE   A N    
1312 C  CA   . PHE   A 80  ? 0.43070468 0.15347439 0.32242584 0.06056289  -0.04613243 -0.05631579 192 PHE   A CA   
1313 C  C    . PHE   A 80  ? 0.41899940 0.19160794 0.30364734 0.05477017  -0.03515264 -0.06955732 192 PHE   A C    
1314 O  O    . PHE   A 80  ? 0.42150465 0.12440225 0.39448470 0.06112521  -0.02082641 -0.05797893 192 PHE   A O    
1315 C  CB   . PHE   A 80  ? 0.41566640 0.08950467 0.34567490 0.08380079  -0.04242218 -0.03457619 192 PHE   A CB   
1316 C  CG   . PHE   A 80  ? 0.37698865 0.10196763 0.35528913 0.02133263  -0.02436420 -0.03093322 192 PHE   A CG   
1317 C  CD1  . PHE   A 80  ? 0.39676660 0.13784486 0.36177126 0.03666899  -0.03578237 -0.00388754 192 PHE   A CD1  
1318 C  CD2  . PHE   A 80  ? 0.40798801 0.05664880 0.39231259 0.02974681  -0.05456392 -0.00742034 192 PHE   A CD2  
1319 C  CE1  . PHE   A 80  ? 0.39354604 0.11415776 0.36826825 0.02213673  -0.01773600 0.02875754  192 PHE   A CE1  
1320 C  CE2  . PHE   A 80  ? 0.42634889 0.10143799 0.35489410 -0.00791773 -0.05426444 -0.04071821 192 PHE   A CE2  
1321 C  CZ   . PHE   A 80  ? 0.42493850 0.14450635 0.34018964 0.01374597  -0.02998047 0.02881315  192 PHE   A CZ   
1322 H  H    . PHE   A 80  ? 0.44977078 0.23354349 0.31456915 0.08065738  -0.02342886 -0.01402442 192 PHE   A H    
1323 H  HA   . PHE   A 80  ? 0.43100429 0.16566703 0.32213593 0.06722242  -0.03888446 -0.04726236 192 PHE   A HA   
1324 H  HB2  . PHE   A 80  ? 0.40447891 0.10043224 0.34208024 0.07301270  -0.04321168 -0.03447057 192 PHE   A HB2  
1325 H  HB3  . PHE   A 80  ? 0.41348588 0.10465660 0.34344301 0.07032228  -0.04127329 -0.03713214 192 PHE   A HB3  
1326 H  HD1  . PHE   A 80  ? 0.39428163 0.12453501 0.36147925 0.03148224  -0.02981149 -0.00270221 192 PHE   A HD1  
1327 H  HD2  . PHE   A 80  ? 0.40101957 0.07423250 0.37692493 0.02552108  -0.04747492 -0.01780294 192 PHE   A HD2  
1328 H  HE1  . PHE   A 80  ? 0.39782310 0.12310097 0.36239582 0.02578537  -0.02347808 0.02143841  192 PHE   A HE1  
1329 H  HE2  . PHE   A 80  ? 0.41637880 0.09930422 0.35995412 0.00310038  -0.05166095 -0.02017912 192 PHE   A HE2  
1330 H  HZ   . PHE   A 80  ? 0.41911528 0.14278243 0.35234615 0.01275633  -0.03119568 0.02073065  192 PHE   A HZ   
1331 N  N    . GLU   A 81  ? 0.47020632 0.15291041 0.32971448 0.00948896  -0.06705602 -0.05203862 193 GLU   A N    
1332 C  CA   . GLU   A 81  ? 0.47342783 0.17739607 0.37973025 0.01989412  -0.03742120 -0.08270618 193 GLU   A CA   
1333 C  C    . GLU   A 81  ? 0.50068140 0.19399863 0.33880445 0.03477579  -0.00940687 -0.06104760 193 GLU   A C    
1334 O  O    . GLU   A 81  ? 0.46413356 0.18768676 0.35967597 0.02988639  -0.01658326 -0.06749488 193 GLU   A O    
1335 C  CB   . GLU   A 81  ? 0.46782106 0.18966603 0.38921216 0.00782825  -0.03337914 -0.05173327 193 GLU   A CB   
1336 C  CG   . GLU   A 81  ? 0.46765175 0.15718286 0.41662848 0.00362242  -0.02755855 -0.01444080 193 GLU   A CG   
1337 C  CD   . GLU   A 81  ? 0.49565053 0.23483090 0.46753958 0.02632361  -0.00443436 -0.02110627 193 GLU   A CD   
1338 O  OE1  . GLU   A 81  ? 0.57404488 0.22120957 0.56024200 0.01403980  0.01276132  -0.05855331 193 GLU   A OE1  
1339 O  OE2  . GLU   A 81  ? 0.52501875 0.26966301 0.61138350 0.04688338  0.02675311  0.02138758  193 GLU   A OE2  
1340 H  H    . GLU   A 81  ? 0.46683568 0.16877341 0.33376330 0.01822544  -0.05437943 -0.05991636 193 GLU   A H    
1341 H  HA   . GLU   A 81  ? 0.47667378 0.17794728 0.36688292 0.01943278  -0.03665020 -0.06856915 193 GLU   A HA   
1342 H  HB2  . GLU   A 81  ? 0.47010794 0.18289237 0.39263949 0.00895432  -0.03222649 -0.05021758 193 GLU   A HB2  
1343 H  HB3  . GLU   A 81  ? 0.46967041 0.18569827 0.39328080 0.01016366  -0.03219911 -0.04926648 193 GLU   A HB3  
1344 H  HG2  . GLU   A 81  ? 0.47135612 0.16645311 0.41724563 0.00639659  -0.02606259 -0.02630419 193 GLU   A HG2  
1345 H  HG3  . GLU   A 81  ? 0.47188839 0.17417619 0.41669416 0.00826790  -0.02556580 -0.02337547 193 GLU   A HG3  
1346 N  N    A SER   A 82  ? 0.50208950 0.20561285 0.36065614 0.07163054  -0.02595381 -0.02112025 194 SER   A N    
1347 N  N    B SER   A 82  ? 0.49239445 0.17110518 0.36592832 0.06900955  -0.01160697 -0.06232597 194 SER   A N    
1348 C  CA   A SER   A 82  ? 0.52538997 0.23658068 0.36230937 0.07029112  -0.00636919 0.00544746  194 SER   A CA   
1349 C  CA   B SER   A 82  ? 0.50475436 0.18489408 0.37956870 0.07178680  0.00972729  -0.05336379 194 SER   A CA   
1350 C  C    A SER   A 82  ? 0.49669725 0.16651198 0.36123195 0.03921021  0.01275526  -0.01452908 194 SER   A C    
1351 C  C    B SER   A 82  ? 0.49298817 0.12938718 0.35881999 0.04386678  0.02540509  -0.06517670 194 SER   A C    
1352 O  O    A SER   A 82  ? 0.54291493 0.19879922 0.34175342 0.03012327  -0.01175797 -0.02757433 194 SER   A O    
1353 O  O    B SER   A 82  ? 0.51536089 0.06559354 0.36353949 0.06042726  0.03954138  -0.09391374 194 SER   A O    
1354 C  CB   A SER   A 82  ? 0.52086419 0.26844993 0.35081404 0.10774510  -0.00083805 0.05207428  194 SER   A CB   
1355 C  CB   B SER   A 82  ? 0.47992468 0.20452908 0.40796661 0.11947413  0.02270448  -0.04036110 194 SER   A CB   
1356 O  OG   A SER   A 82  ? 0.56107730 0.30813763 0.39379725 0.13723835  -0.04607983 0.10479761  194 SER   A OG   
1357 O  OG   B SER   A 82  ? 0.49503177 0.19434550 0.40603215 0.11422534  0.01349821  -0.03767448 194 SER   A OG   
1358 H  H    A SER   A 82  ? 0.50037193 0.20586665 0.35695246 0.06539705  -0.01966303 -0.02549580 194 SER   A H    
1359 H  H    B SER   A 82  ? 0.49127355 0.17632020 0.36343169 0.06456836  -0.00776900 -0.06067582 194 SER   A H    
1360 H  HA   A SER   A 82  ? 0.51559198 0.22244062 0.36500493 0.07038632  -0.00583003 0.00504387  194 SER   A HA   
1361 H  HA   B SER   A 82  ? 0.49735761 0.17735848 0.37947211 0.07186109  0.00980267  -0.05182708 194 SER   A HA   
1362 H  HB2  A SER   A 82  ? 0.52625722 0.26767772 0.35291812 0.10761784  -0.00539019 0.05171348  194 SER   A HB2  
1363 H  HB2  B SER   A 82  ? 0.48779070 0.19908310 0.40243065 0.11085227  0.01933266  -0.04166929 194 SER   A HB2  
1364 H  HB3  A SER   A 82  ? 0.52560377 0.26834771 0.35669306 0.10560517  -0.00686865 0.05414806  194 SER   A HB3  
1365 H  HB3  B SER   A 82  ? 0.48858127 0.19910865 0.40322000 0.11097728  0.02001325  -0.04161017 194 SER   A HB3  
1366 H  HG   A SER   A 82  ? 0.47726071 0.47726071 0.47726071 0.00000000  0.00000000  0.00000000  194 SER   A HG   
1367 H  HG   B SER   A 82  ? 0.37020224 0.37020224 0.37020224 0.00000000  0.00000000  0.00000000  194 SER   A HG   
1368 N  N    . GLY   A 83  ? 0.46861491 0.07767922 0.44516763 0.01746331  0.01685080  -0.04912923 195 GLY   A N    
1369 C  CA   . GLY   A 83  ? 0.45257831 0.11949897 0.41438097 -0.01702943 0.01930119  -0.03033381 195 GLY   A CA   
1370 C  C    . GLY   A 83  ? 0.39266157 0.18568805 0.35265991 -0.03866342 0.00726609  -0.00476256 195 GLY   A C    
1371 O  O    . GLY   A 83  ? 0.46898478 0.15145960 0.35741597 -0.06205089 -0.04259171 0.04290995  195 GLY   A O    
1372 H  H    . GLY   A 83  ? 0.47553396 0.11164228 0.42445967 0.02249138  0.01782832  -0.03858732 195 GLY   A H    
1373 H  HA2  . GLY   A 83  ? 0.44499400 0.12644330 0.40764919 -0.01344256 0.01546207  -0.02890887 195 GLY   A HA2  
1374 H  HA3  . GLY   A 83  ? 0.44488883 0.12582423 0.40617338 -0.01274046 0.01659372  -0.02945625 195 GLY   A HA3  
1375 N  N    . LYS   A 84  ? 0.43799508 0.12206621 0.30499357 -0.04077164 -0.00212624 0.00347724  196 LYS   A N    
1376 C  CA   . LYS   A 84  ? 0.45646214 0.14101283 0.28874674 -0.00774485 0.01113699  -0.01837177 196 LYS   A CA   
1377 C  C    . LYS   A 84  ? 0.42121914 0.10133301 0.27048355 -0.03687913 0.01219475  0.01212719  196 LYS   A C    
1378 O  O    . LYS   A 84  ? 0.47457224 0.12419233 0.29838356 0.00125329  0.00851365  -0.03753081 196 LYS   A O    
1379 C  CB   . LYS   A 84  ? 0.43999198 0.18420790 0.31644377 -0.02206215 0.00423975  -0.01757033 196 LYS   A CB   
1380 C  CG   . LYS   A 84  ? 0.42479533 0.18129800 0.34491411 0.00479216  0.01195674  -0.02398669 196 LYS   A CG   
1381 C  CD   . LYS   A 84  ? 0.44190511 0.17106695 0.32806209 0.02064570  -0.00736300 -0.00668822 196 LYS   A CD   
1382 C  CE   . LYS   A 84  ? 0.43046927 0.17350011 0.35891169 0.00554177  -0.00130972 -0.04128509 196 LYS   A CE   
1383 N  NZ   . LYS   A 84  ? 0.48684788 0.13247029 0.31863326 0.02506666  0.00546637  -0.05905857 196 LYS   A NZ   
1384 H  H    . LYS   A 84  ? 0.43307692 0.13821097 0.31233451 -0.03182073 0.00166553  -0.00262114 196 LYS   A H    
1385 H  HA   . LYS   A 84  ? 0.44566807 0.13637573 0.29546255 -0.01960668 0.00987028  -0.00778306 196 LYS   A HA   
1386 H  HB2  . LYS   A 84  ? 0.43956417 0.17583908 0.31536436 -0.01390763 0.00618806  -0.01962635 196 LYS   A HB2  
1387 H  HB3  . LYS   A 84  ? 0.44035763 0.17861839 0.31691697 -0.01409529 0.00720603  -0.02106026 196 LYS   A HB3  
1388 H  HG2  . LYS   A 84  ? 0.43143886 0.18090102 0.33603042 0.00261249  0.00701759  -0.01937940 196 LYS   A HG2  
1389 H  HG3  . LYS   A 84  ? 0.43173879 0.18249594 0.33673561 0.00158490  0.00746711  -0.02057613 196 LYS   A HG3  
1390 H  HD2  . LYS   A 84  ? 0.43839249 0.17406793 0.33759010 0.01693921  -0.00179216 -0.01445540 196 LYS   A HD2  
1391 H  HD3  . LYS   A 84  ? 0.43486577 0.17086600 0.33316121 0.01780571  -0.00563945 -0.01259761 196 LYS   A HD3  
1392 H  HE2  . LYS   A 84  ? 0.44182295 0.16246401 0.34506461 0.01038127  -0.00139519 -0.03893000 196 LYS   A HE2  
1393 H  HE3  . LYS   A 84  ? 0.44498035 0.16524953 0.34695804 0.01172405  0.00014706  -0.03884789 196 LYS   A HE3  
1394 H  HZ1  . LYS   A 84  ? 0.47275934 0.14289407 0.32934549 0.02136424  0.00491624  -0.05436895 196 LYS   A HZ1  
1395 H  HZ2  . LYS   A 84  ? 0.47338614 0.14361295 0.32938382 0.02208323  0.00510702  -0.05410350 196 LYS   A HZ2  
1396 H  HZ3  . LYS   A 84  ? 0.47093287 0.13771905 0.32815698 0.02440669  0.00627898  -0.05675942 196 LYS   A HZ3  
1397 N  N    . PRO   A 85  ? 0.37935629 0.14128092 0.32039440 0.00886714  -0.00940220 -0.02502629 197 PRO   A N    
1398 C  CA   . PRO   A 85  ? 0.39095113 0.15817307 0.32138330 0.02422035  0.00656221  -0.02721830 197 PRO   A CA   
1399 C  C    . PRO   A 85  ? 0.37095189 0.17543687 0.29602423 0.01930273  0.03162145  -0.01309082 197 PRO   A C    
1400 O  O    . PRO   A 85  ? 0.35599077 0.06216408 0.29988134 0.01831705  0.03243858  -0.05833539 197 PRO   A O    
1401 C  CB   . PRO   A 85  ? 0.39764166 0.10506365 0.36698070 0.05710691  -0.00641569 -0.02092792 197 PRO   A CB   
1402 C  CG   . PRO   A 85  ? 0.40828633 0.20640437 0.34223270 0.04533463  -0.01945596 -0.00560362 197 PRO   A CG   
1403 C  CD   . PRO   A 85  ? 0.38569808 0.14919403 0.31292892 0.00396023  -0.01000579 -0.00430118 197 PRO   A CD   
1404 H  HA   . PRO   A 85  ? 0.38717031 0.15088059 0.32370025 0.02555014  0.00737024  -0.02338015 197 PRO   A HA   
1405 H  HB2  . PRO   A 85  ? 0.39898902 0.11589818 0.35405728 0.04615871  -0.00480861 -0.01484432 197 PRO   A HB2  
1406 H  HB3  . PRO   A 85  ? 0.40041146 0.13085587 0.35507968 0.04868211  -0.00583803 -0.01788846 197 PRO   A HB3  
1407 H  HG2  . PRO   A 85  ? 0.40410542 0.17500266 0.34470233 0.04225846  -0.01639123 -0.01044015 197 PRO   A HG2  
1408 H  HG3  . PRO   A 85  ? 0.40429372 0.17329592 0.34158745 0.04098496  -0.01339459 -0.00784907 197 PRO   A HG3  
1409 H  HD2  . PRO   A 85  ? 0.38758376 0.15526979 0.31852376 0.01051215  -0.01018208 -0.00893565 197 PRO   A HD2  
1410 H  HD3  . PRO   A 85  ? 0.38505024 0.15122187 0.31895444 0.00745629  -0.01064524 -0.00861497 197 PRO   A HD3  
1411 N  N    . PHE   A 86  ? 0.38324106 0.19136608 0.28136161 -0.00035430 0.03081167  -0.00792502 198 PHE   A N    
1412 C  CA   . PHE   A 86  ? 0.36091754 0.14236751 0.28230318 -0.00745011 0.02923770  -0.03032981 198 PHE   A CA   
1413 C  C    . PHE   A 86  ? 0.32463622 0.12579182 0.27708948 -0.02048456 0.01155587  -0.01478099 198 PHE   A C    
1414 O  O    . PHE   A 86  ? 0.33006668 0.12834439 0.31629285 -0.00603230 -0.00800726 -0.03222042 198 PHE   A O    
1415 C  CB   . PHE   A 86  ? 0.42912313 0.05841477 0.31359234 0.00006683  0.01724659  -0.01828618 198 PHE   A CB   
1416 C  CG   . PHE   A 86  ? 0.45149797 0.03643974 0.30560493 -0.02911511 0.01951152  -0.01863335 198 PHE   A CG   
1417 C  CD1  . PHE   A 86  ? 0.47365722 0.07010353 0.29349029 -0.03588307 -0.00031435 -0.04384596 198 PHE   A CD1  
1418 C  CD2  . PHE   A 86  ? 0.48837242 0.01721280 0.35212290 -0.04591859 -0.00439256 -0.02300646 198 PHE   A CD2  
1419 C  CE1  . PHE   A 86  ? 0.48619643 0.09663957 0.30859801 -0.05394246 -0.00959759 -0.01512911 198 PHE   A CE1  
1420 C  CE2  . PHE   A 86  ? 0.58657151 0.06068036 0.38280490 -0.03558759 0.01938369  0.00570294  198 PHE   A CE2  
1421 C  CZ   . PHE   A 86  ? 0.54459161 0.14053509 0.34399453 -0.06177333 0.02420263  -0.00563536 198 PHE   A CZ   
1422 H  H    . PHE   A 86  ? 0.37593213 0.17595749 0.28521773 0.00266773  0.03009544  -0.01396029 198 PHE   A H    
1423 H  HA   . PHE   A 86  ? 0.36646044 0.13363588 0.28354028 -0.00719479 0.02669773  -0.02219868 198 PHE   A HA   
1424 H  HB2  . PHE   A 86  ? 0.42230985 0.07172129 0.30546165 -0.00430660 0.02045845  -0.02098559 198 PHE   A HB2  
1425 H  HB3  . PHE   A 86  ? 0.42021543 0.06366768 0.30496010 -0.00339310 0.02125245  -0.02296494 198 PHE   A HB3  
1426 H  HD1  . PHE   A 86  ? 0.47178742 0.07379112 0.30103451 -0.03434420 0.00188920  -0.03421684 198 PHE   A HD1  
1427 H  HD2  . PHE   A 86  ? 0.49071178 0.02322058 0.34129441 -0.04012384 0.00471288  -0.02236067 198 PHE   A HD2  
1428 H  HE1  . PHE   A 86  ? 0.49114054 0.09819707 0.31158775 -0.05062433 -0.00114592 -0.01834534 198 PHE   A HE1  
1429 H  HE2  . PHE   A 86  ? 0.55299091 0.06723176 0.36734596 -0.04023737 0.01647199  -0.00273265 198 PHE   A HE2  
1430 H  HZ   . PHE   A 86  ? 0.53514957 0.11332078 0.34036991 -0.05353975 0.01672240  -0.00560722 198 PHE   A HZ   
1431 N  N    . LYS   A 87  ? 0.33082557 0.15143621 0.27779147 -0.02580651 0.02003127  -0.05001689 199 LYS   A N    
1432 C  CA   . LYS   A 87  ? 0.40075555 0.15629564 0.26561469 -0.02317354 -0.01424525 -0.06775702 199 LYS   A CA   
1433 C  C    . LYS   A 87  ? 0.36960220 0.08374282 0.30663538 -0.02035782 0.00723455  -0.03737830 199 LYS   A C    
1434 O  O    . LYS   A 87  ? 0.41971719 0.13319111 0.30989167 -0.04262961 0.02963937  -0.02753317 199 LYS   A O    
1435 C  CB   . LYS   A 87  ? 0.41755396 0.16446094 0.26832843 -0.01769187 -0.01313698 -0.09169187 199 LYS   A CB   
1436 C  CG   . LYS   A 87  ? 0.44907469 0.15862893 0.25825030 -0.01949403 -0.02931955 -0.10117919 199 LYS   A CG   
1437 C  CD   . LYS   A 87  ? 0.49295723 0.15728734 0.33606404 -0.00631713 -0.04744533 -0.08331844 199 LYS   A CD   
1438 C  CE   . LYS   A 87  ? 0.55999923 0.10208370 0.36044937 -0.00967506 -0.05081142 -0.02685695 199 LYS   A CE   
1439 N  NZ   . LYS   A 87  ? 0.60233366 0.29438412 0.41128418 0.00068045  -0.07247624 0.02062799  199 LYS   A NZ   
1440 H  H    . LYS   A 87  ? 0.33810079 0.14557992 0.27362287 -0.02205329 0.01649228  -0.04517543 199 LYS   A H    
1441 H  HA   . LYS   A 87  ? 0.38842535 0.14383352 0.27925301 -0.02178229 -0.00648551 -0.06157302 199 LYS   A HA   
1442 H  HB2  . LYS   A 87  ? 0.42031300 0.16219296 0.26595303 -0.01794223 -0.01651078 -0.08723187 199 LYS   A HB2  
1443 H  HB3  . LYS   A 87  ? 0.42022723 0.16165084 0.26506904 -0.01849729 -0.01580442 -0.08802117 199 LYS   A HB3  
1444 H  HG2  . LYS   A 87  ? 0.44766042 0.15932086 0.27343962 -0.01680487 -0.02831531 -0.09468868 199 LYS   A HG2  
1445 H  HG3  . LYS   A 87  ? 0.44790974 0.15971516 0.27015713 -0.01635267 -0.02607476 -0.09547716 199 LYS   A HG3  
1446 H  HD2  . LYS   A 87  ? 0.49276519 0.15117629 0.32210141 -0.00956247 -0.04396957 -0.07509995 199 LYS   A HD2  
1447 H  HD3  . LYS   A 87  ? 0.49280387 0.15057617 0.32188365 -0.00916618 -0.04364069 -0.07537082 199 LYS   A HD3  
1448 H  HE2  . LYS   A 87  ? 0.54717398 0.12741669 0.35918790 -0.00038395 -0.04901161 -0.03648229 199 LYS   A HE2  
1449 H  HE3  . LYS   A 87  ? 0.54879892 0.13734594 0.36227047 -0.00639558 -0.05257539 -0.03183905 199 LYS   A HE3  
1450 H  HZ1  . LYS   A 87  ? 0.59826994 0.23752855 0.39812276 0.00377901  -0.06019311 0.01279879  199 LYS   A HZ1  
1451 H  HZ2  . LYS   A 87  ? 0.59575158 0.25633100 0.40017855 -0.01178102 -0.06868239 0.01940353  199 LYS   A HZ2  
1452 H  HZ3  . LYS   A 87  ? 0.59551936 0.23540013 0.40077066 -0.00088264 -0.06822956 0.00939559  199 LYS   A HZ3  
1453 N  N    . ILE   A 88  ? 0.34908733 0.10350316 0.28982189 0.00566145  0.02561938  -0.01323001 200 ILE   A N    
1454 C  CA   . ILE   A 88  ? 0.36039752 0.08570346 0.28175277 0.02500991  0.00940565  -0.02758536 200 ILE   A CA   
1455 C  C    . ILE   A 88  ? 0.34619808 0.08277578 0.32292074 0.02251947  0.01324486  -0.02196735 200 ILE   A C    
1456 O  O    . ILE   A 88  ? 0.36320862 0.07972869 0.34142560 -0.02137563 0.02350830  -0.05491837 200 ILE   A O    
1457 C  CB   . ILE   A 88  ? 0.33572960 0.10540649 0.27659413 0.01843785  0.00308138  -0.03272126 200 ILE   A CB   
1458 C  CG1  . ILE   A 88  ? 0.38590884 0.10816127 0.34035790 0.01382185  0.04077917  -0.01825857 200 ILE   A CG1  
1459 C  CG2  . ILE   A 88  ? 0.35030916 0.13416904 0.31839857 0.00673145  0.00415353  0.01137707  200 ILE   A CG2  
1460 C  CD1  . ILE   A 88  ? 0.37715566 0.09781026 0.34201282 -0.00554392 0.04498713  -0.03191415 200 ILE   A CD1  
1461 H  H    . ILE   A 88  ? 0.35201782 0.09643613 0.28985614 0.00281107  0.02146523  -0.02127456 200 ILE   A H    
1462 H  HA   . ILE   A 88  ? 0.35423696 0.09184892 0.28941113 0.01990349  0.01125776  -0.02462246 200 ILE   A HA   
1463 H  HB   . ILE   A 88  ? 0.34610388 0.10657659 0.28930202 0.01819342  0.01198517  -0.02329228 200 ILE   A HB   
1464 H  HG12 . ILE   A 88  ? 0.37667307 0.10623284 0.32665646 0.01159444  0.03342329  -0.02289111 200 ILE   A HG12 
1465 H  HG13 . ILE   A 88  ? 0.37851495 0.10665803 0.32851273 0.01348400  0.03779308  -0.02154978 200 ILE   A HG13 
1466 H  HG21 . ILE   A 88  ? 0.34681782 0.12783000 0.30736890 0.00917292  0.00405240  -0.00083668 200 ILE   A HG21 
1467 H  HG22 . ILE   A 88  ? 0.34865731 0.12779509 0.30775702 0.00909780  0.00217076  -0.00023368 200 ILE   A HG22 
1468 H  HG23 . ILE   A 88  ? 0.34697476 0.13537291 0.30682117 0.00770069  0.00348737  0.00083395  200 ILE   A HG23 
1469 H  HD11 . ILE   A 88  ? 0.37791207 0.09976196 0.34122664 -0.00067661 0.04359594  -0.02853540 200 ILE   A HD11 
1470 H  HD12 . ILE   A 88  ? 0.37839389 0.09805692 0.34126478 -0.00051887 0.04339765  -0.02887119 200 ILE   A HD12 
1471 H  HD13 . ILE   A 88  ? 0.37782589 0.09981520 0.34084392 -0.00089233 0.04277693  -0.02855073 200 ILE   A HD13 
1472 N  N    . GLN   A 89  ? 0.40190512 0.06611030 0.32397211 -0.00073305 0.00720907  -0.05683639 201 GLN   A N    
1473 C  CA   . GLN   A 89  ? 0.38341945 0.05531334 0.30497035 0.01852408  0.00840200  -0.03153909 201 GLN   A CA   
1474 C  C    . GLN   A 89  ? 0.37990835 0.09565349 0.31056246 -0.00404106 0.02400706  -0.01266493 201 GLN   A C    
1475 O  O    . GLN   A 89  ? 0.41445699 0.11471263 0.33954802 -0.01212654 0.02773994  -0.08526753 201 GLN   A O    
1476 C  CB   . GLN   A 89  ? 0.43003592 0.16431420 0.33557424 0.01703500  -0.00970132 -0.01738034 201 GLN   A CB   
1477 C  CG   . GLN   A 89  ? 0.46763569 0.19632544 0.38273051 0.03057855  -0.02897509 -0.04526474 201 GLN   A CG   
1478 C  CD   . GLN   A 89  ? 0.51677245 0.21691459 0.44239643 0.00343969  -0.09576213 0.01980754  201 GLN   A CD   
1479 O  OE1  . GLN   A 89  ? 0.63144773 0.18054132 0.46001175 -0.03806335 -0.06434827 0.03261798  201 GLN   A OE1  
1480 N  NE2  . GLN   A 89  ? 0.58408505 0.19671361 0.52611589 0.04610007  -0.12291443 0.07073759  201 GLN   A NE2  
1481 H  H    . GLN   A 89  ? 0.39020881 0.06847968 0.32101700 0.00742733  0.00668201  -0.04197206 201 GLN   A H    
1482 H  HA   . GLN   A 89  ? 0.38862696 0.07676148 0.31353748 0.01262991  0.01121711  -0.03110310 201 GLN   A HA   
1483 H  HB2  . GLN   A 89  ? 0.42700475 0.14421509 0.33793595 0.01972453  -0.01013786 -0.02196203 201 GLN   A HB2  
1484 H  HB3  . GLN   A 89  ? 0.42545968 0.15752658 0.33774853 0.02243415  -0.00813193 -0.01931344 201 GLN   A HB3  
1485 H  HG2  . GLN   A 89  ? 0.46373484 0.19184372 0.37922555 0.02574997  -0.03216849 -0.02943753 201 GLN   A HG2  
1486 H  HG3  . GLN   A 89  ? 0.46622300 0.19391601 0.37957513 0.02383118  -0.03445795 -0.02876838 201 GLN   A HG3  
1487 H  HE21 . GLN   A 89  ? 0.56836373 0.20271493 0.50560421 0.03281690  -0.11963075 0.05580280  201 GLN   A HE21 
1488 H  HE22 . GLN   A 89  ? 0.56489795 0.20296414 0.50174540 0.03371297  -0.11506368 0.05557043  201 GLN   A HE22 
1489 N  N    . VAL   A 90  ? 0.37328365 0.09979621 0.31064272 0.00837322  0.00327254  -0.02379879 202 VAL   A N    
1490 C  CA   . VAL   A 90  ? 0.36185300 0.03511542 0.31672829 0.04192847  -0.00896853 -0.01945224 202 VAL   A CA   
1491 C  C    . VAL   A 90  ? 0.33898103 0.03121124 0.29349595 0.01371523  0.01716682  -0.02344456 202 VAL   A C    
1492 O  O    . VAL   A 90  ? 0.38878065 0.08004956 0.36703146 0.00552987  0.03394853  -0.06191838 202 VAL   A O    
1493 C  CB   . VAL   A 90  ? 0.42280298 0.07272995 0.30935937 0.02376650  0.00085003  -0.04783227 202 VAL   A CB   
1494 C  CG1  . VAL   A 90  ? 0.40043622 0.09104712 0.34023300 -0.01022549 0.02563241  -0.02954762 202 VAL   A CG1  
1495 C  CG2  . VAL   A 90  ? 0.38938320 0.07514255 0.33838439 0.03464872  -0.01839472 -0.01866110 202 VAL   A CG2  
1496 H  H    . VAL   A 90  ? 0.37381265 0.08401912 0.31218719 0.01325652  0.00489471  -0.02081789 202 VAL   A H    
1497 H  HA   . VAL   A 90  ? 0.36585462 0.05148335 0.31148759 0.02896476  0.00101358  -0.02523785 202 VAL   A HA   
1498 H  HB   . VAL   A 90  ? 0.40702522 0.06959735 0.32083768 0.02294896  -0.00050181 -0.03410320 202 VAL   A HB   
1499 H  HG11 . VAL   A 90  ? 0.40604180 0.08709574 0.33263531 -0.00095318 0.01925932  -0.03426339 202 VAL   A HG11 
1500 H  HG12 . VAL   A 90  ? 0.40569866 0.09051198 0.33244187 -0.00087862 0.01927644  -0.03418620 202 VAL   A HG12 
1501 H  HG13 . VAL   A 90  ? 0.40606821 0.08727101 0.33401522 -0.00094461 0.01920654  -0.03475223 202 VAL   A HG13 
1502 H  HG21 . VAL   A 90  ? 0.39726776 0.07504582 0.33214378 0.03202610  -0.01344587 -0.02617286 202 VAL   A HG21 
1503 H  HG22 . VAL   A 90  ? 0.39600438 0.07490906 0.33076474 0.03152068  -0.01403073 -0.02608107 202 VAL   A HG22 
1504 H  HG23 . VAL   A 90  ? 0.39745039 0.07497276 0.33132860 0.03192254  -0.01350225 -0.02580868 202 VAL   A HG23 
1505 N  N    . LEU   A 91  ? 0.38646838 0.07167154 0.36326846 0.00912335  0.03731330  -0.04675688 203 LEU   A N    
1506 C  CA   . LEU   A 91  ? 0.37853324 0.06783109 0.33025044 0.02711650  0.01337913  -0.02195990 203 LEU   A CA   
1507 C  C    . LEU   A 91  ? 0.37054265 0.10587946 0.33075929 -0.00191583 0.02098526  0.01214707  203 LEU   A C    
1508 O  O    . LEU   A 91  ? 0.41316485 0.02457388 0.34636542 -0.00504026 -0.02904673 0.00240026  203 LEU   A O    
1509 C  CB   . LEU   A 91  ? 0.43259972 0.14830653 0.36553237 0.00471814  0.01471119  0.00641973  203 LEU   A CB   
1510 C  CG   . LEU   A 91  ? 0.50957334 0.15387727 0.38979688 0.01470469  0.01811977  0.02206503  203 LEU   A CG   
1511 C  CD1  . LEU   A 91  ? 0.49187604 0.17927670 0.39795566 0.01130635  0.00384210  0.05093383  203 LEU   A CD1  
1512 C  CD2  . LEU   A 91  ? 0.58187431 0.23805483 0.40968126 0.01232608  0.03654151  -0.01499033 203 LEU   A CD2  
1513 H  H    . LEU   A 91  ? 0.37539524 0.06204455 0.33912799 0.01222972  0.02654442  -0.03367396 203 LEU   A H    
1514 H  HA   . LEU   A 91  ? 0.37875268 0.08373753 0.34119406 0.01993175  0.01949077  -0.01672017 203 LEU   A HA   
1515 H  HB2  . LEU   A 91  ? 0.43121532 0.12807672 0.36060137 0.01156960  0.01595158  0.00366568  203 LEU   A HB2  
1516 H  HB3  . LEU   A 91  ? 0.43461889 0.12925439 0.35982504 0.00877749  0.01439296  0.00354465  203 LEU   A HB3  
1517 H  HG   . LEU   A 91  ? 0.50017893 0.16706190 0.39007908 0.01308025  0.01936667  0.01965947  203 LEU   A HG   
1518 H  HD11 . LEU   A 91  ? 0.49440938 0.17111699 0.39589670 0.01260149  0.00693936  0.04236004  203 LEU   A HD11 
1519 H  HD12 . LEU   A 91  ? 0.49614483 0.17578591 0.39604515 0.01296247  0.00708627  0.04277275  203 LEU   A HD12 
1520 H  HD13 . LEU   A 91  ? 0.49603981 0.17250201 0.39598882 0.01239334  0.00715243  0.04318764  203 LEU   A HD13 
1521 H  HD21 . LEU   A 91  ? 0.56965870 0.22209764 0.40521896 0.01018984  0.03233664  -0.00362213 203 LEU   A HD21 
1522 H  HD22 . LEU   A 91  ? 0.56440341 0.21927023 0.40684536 0.01458846  0.03452831  -0.00300755 203 LEU   A HD22 
1523 H  HD23 . LEU   A 91  ? 0.56337035 0.23261893 0.40470183 0.01616957  0.03260083  -0.00490217 203 LEU   A HD23 
1524 N  N    . VAL   A 92  ? 0.36849877 0.10117505 0.33394659 0.02478298  -0.00473439 0.01323111  204 VAL   A N    
1525 C  CA   . VAL   A 92  ? 0.38678560 0.10824939 0.29891986 0.00330982  -0.00436611 0.02337286  204 VAL   A CA   
1526 C  C    . VAL   A 92  ? 0.39337593 0.14357258 0.31537256 -0.02883813 -0.01111413 0.02271906  204 VAL   A C    
1527 O  O    . VAL   A 92  ? 0.44834906 0.13465668 0.35634065 -0.02314722 -0.01000206 0.02654914  204 VAL   A O    
1528 C  CB   . VAL   A 92  ? 0.36722529 0.16425928 0.33144778 -0.01311535 0.01055294  0.02762742  204 VAL   A CB   
1529 C  CG1  . VAL   A 92  ? 0.37994167 0.12030040 0.35040361 -0.02676373 -0.01302324 0.02920061  204 VAL   A CG1  
1530 C  CG2  . VAL   A 92  ? 0.36275622 0.13345049 0.33330667 0.01257133  0.02762260  0.01019922  204 VAL   A CG2  
1531 H  H    . VAL   A 92  ? 0.36747465 0.10336663 0.32735458 0.01675653  0.00063562  0.01480799  204 VAL   A H    
1532 H  HA   . VAL   A 92  ? 0.38122907 0.11628646 0.31218785 0.00278749  -0.00406031 0.02402301  204 VAL   A HA   
1533 H  HB   . VAL   A 92  ? 0.37577814 0.14745051 0.33022675 -0.01214920 0.00956657  0.02248365  204 VAL   A HB   
1534 H  HG11 . VAL   A 92  ? 0.37656122 0.12921926 0.34644917 -0.02283517 -0.00767139 0.02985200  204 VAL   A HG11 
1535 H  HG12 . VAL   A 92  ? 0.37595478 0.12680626 0.34608048 -0.02524993 -0.00680768 0.03063623  204 VAL   A HG12 
1536 H  HG13 . VAL   A 92  ? 0.37832677 0.12999122 0.34850347 -0.02386418 -0.00902575 0.03021823  204 VAL   A HG13 
1537 H  HG21 . VAL   A 92  ? 0.36236307 0.13969900 0.33040991 0.00762794  0.02540420  0.01394472  204 VAL   A HG21 
1538 H  HG22 . VAL   A 92  ? 0.36390936 0.13991173 0.33375898 0.00737317  0.02399717  0.01485851  204 VAL   A HG22 
1539 H  HG23 . VAL   A 92  ? 0.36227238 0.13759463 0.33249086 0.00877817  0.02306609  0.01560249  204 VAL   A HG23 
1540 N  N    . GLU   A 93  ? 0.38461271 0.07285480 0.33295336 -0.03054378 -0.01746235 0.03012439  205 GLU   A N    
1541 C  CA   . GLU   A 93  ? 0.41510466 0.14704892 0.34715712 -0.05185340 -0.00624186 0.05556845  205 GLU   A CA   
1542 C  C    . GLU   A 93  ? 0.44561908 0.14206894 0.34031337 -0.04590158 -0.01908482 0.05029368  205 GLU   A C    
1543 O  O    . GLU   A 93  ? 0.48371643 0.02243529 0.32544562 -0.03025489 0.01137216  -0.01513375 205 GLU   A O    
1544 C  CB   . GLU   A 93  ? 0.42024547 0.20207103 0.36636445 -0.06355307 0.00820962  0.07202117  205 GLU   A CB   
1545 C  CG   . GLU   A 93  ? 0.48219681 0.14598303 0.40893233 -0.07306440 -0.02922601 0.04278539  205 GLU   A CG   
1546 C  CD   . GLU   A 93  ? 0.55342621 0.32151866 0.51861989 -0.04567219 0.00684318  0.06953549  205 GLU   A CD   
1547 O  OE1  . GLU   A 93  ? 0.58217841 0.29274186 0.63014650 -0.01051060 -0.01623873 0.08249526  205 GLU   A OE1  
1548 O  OE2  . GLU   A 93  ? 0.71377057 0.58592314 0.56799245 -0.08677267 0.02432503  0.01700496  205 GLU   A OE2  
1549 H  H    . GLU   A 93  ? 0.38942882 0.08754228 0.33052084 -0.02706190 -0.01609846 0.03844846  205 GLU   A H    
1550 H  HA   . GLU   A 93  ? 0.41699156 0.13963179 0.34600639 -0.05013837 -0.00703551 0.05103931  205 GLU   A HA   
1551 H  HB2  . GLU   A 93  ? 0.43290502 0.18376032 0.37123579 -0.06439956 0.00012495  0.06140442  205 GLU   A HB2  
1552 H  HB3  . GLU   A 93  ? 0.43203899 0.18044704 0.37096062 -0.06252354 -0.00063059 0.06333961  205 GLU   A HB3  
1553 H  HG2  . GLU   A 93  ? 0.47483605 0.17268381 0.41330418 -0.06376779 -0.01525152 0.05657022  205 GLU   A HG2  
1554 H  HG3  . GLU   A 93  ? 0.47242376 0.16875282 0.41268578 -0.07045406 -0.01313855 0.05714046  205 GLU   A HG3  
1555 N  N    . PRO   A 94  ? 0.47232202 0.15234752 0.31275573 -0.06342543 -0.00170730 0.05941100  206 PRO   A N    
1556 C  CA   . PRO   A 94  ? 0.43942982 0.11440158 0.32687157 -0.08368758 -0.00370349 0.04119990  206 PRO   A CA   
1557 C  C    . PRO   A 94  ? 0.46096963 0.10039397 0.31737709 -0.07613350 0.01440569  0.00805840  206 PRO   A C    
1558 O  O    . PRO   A 94  ? 0.55961859 0.09454077 0.30751991 -0.06222085 0.05478212  0.04593618  206 PRO   A O    
1559 C  CB   . PRO   A 94  ? 0.44198570 0.13524927 0.38592237 -0.07323439 0.00964298  0.07741452  206 PRO   A CB   
1560 C  CG   . PRO   A 94  ? 0.49626601 0.12076956 0.40345937 -0.05014660 -0.00358881 0.07126641  206 PRO   A CG   
1561 C  CD   . PRO   A 94  ? 0.51276863 0.14238000 0.34687975 -0.02964608 -0.00585762 0.06453946  206 PRO   A CD   
1562 H  HA   . PRO   A 94  ? 0.44914314 0.12043133 0.33181703 -0.07740627 0.00207364  0.04366321  206 PRO   A HA   
1563 H  HB2  . PRO   A 94  ? 0.44743118 0.12981084 0.37545121 -0.06976565 0.00642196  0.07002255  206 PRO   A HB2  
1564 H  HB3  . PRO   A 94  ? 0.44928706 0.13384916 0.37924868 -0.07012556 0.00581228  0.07402708  206 PRO   A HB3  
1565 H  HG2  . PRO   A 94  ? 0.49050403 0.12983927 0.39254147 -0.04843642 -0.00210941 0.07057735  206 PRO   A HG2  
1566 H  HG3  . PRO   A 94  ? 0.49120504 0.12892462 0.39129803 -0.05034781 -0.00153924 0.07225730  206 PRO   A HG3  
1567 H  HD2  . PRO   A 94  ? 0.50185007 0.14206405 0.34919789 -0.04087351 -0.00426238 0.06518142  206 PRO   A HD2  
1568 H  HD3  . PRO   A 94  ? 0.50216568 0.14179243 0.34930506 -0.04067067 -0.00288658 0.06485580  206 PRO   A HD3  
1569 N  N    . ASP   A 95  ? 0.37373161 0.12718511 0.32792431 -0.03458020 0.02606372  0.02777818  207 ASP   A N    
1570 C  CA   . ASP   A 95  ? 0.43305483 0.05879210 0.35550702 -0.02366766 -0.01127869 -0.00401724 207 ASP   A CA   
1571 C  C    . ASP   A 95  ? 0.42895079 0.06709816 0.34486836 -0.03665233 -0.03084429 -0.01491804 207 ASP   A C    
1572 O  O    . ASP   A 95  ? 0.42240998 0.09859348 0.33538213 -0.02368189 -0.01602780 0.00780964  207 ASP   A O    
1573 C  CB   . ASP   A 95  ? 0.43637848 0.09006601 0.36676645 -0.01543311 -0.01630120 0.00120792  207 ASP   A CB   
1574 C  CG   . ASP   A 95  ? 0.50229818 0.10386904 0.37754166 -0.03851068 0.03904353  -0.01747230 207 ASP   A CG   
1575 O  OD1  . ASP   A 95  ? 0.53143537 0.07296504 0.45762369 -0.03372609 0.08003522  -0.01342818 207 ASP   A OD1  
1576 O  OD2  . ASP   A 95  ? 0.56890345 0.19635352 0.36045197 -0.07883946 0.07004345  -0.00897471 207 ASP   A OD2  
1577 H  H    . ASP   A 95  ? 0.40560368 0.10760486 0.33156183 -0.04068077 0.01636441  0.01883364  207 ASP   A H    
1578 H  HA   . ASP   A 95  ? 0.42507899 0.07698170 0.35146311 -0.02693056 -0.00748803 0.00078739  207 ASP   A HA   
1579 H  HB2  . ASP   A 95  ? 0.44637018 0.08561458 0.36598411 -0.02088676 -0.00519623 -0.00288657 207 ASP   A HB2  
1580 H  HB3  . ASP   A 95  ? 0.44262198 0.08204708 0.36606181 -0.01763055 -0.00645969 -0.00179963 207 ASP   A HB3  
1581 N  N    . HIS   A 96  ? 0.44078273 0.05991267 0.33493492 -0.02850075 -0.02084943 -0.02749807 208 HIS   A N    
1582 C  CA   . HIS   A 96  ? 0.43162504 0.07184568 0.29931766 -0.04990309 -0.01067062 -0.01513442 208 HIS   A CA   
1583 C  C    . HIS   A 96  ? 0.41254005 0.07563068 0.29683548 -0.06178121 -0.00501051 0.00629008  208 HIS   A C    
1584 O  O    . HIS   A 96  ? 0.43216562 0.07731293 0.32177275 -0.05340056 -0.01471886 -0.03309774 208 HIS   A O    
1585 C  CB   . HIS   A 96  ? 0.43770993 0.10685909 0.31595233 -0.06629638 -0.00520006 -0.03426883 208 HIS   A CB   
1586 C  CG   . HIS   A 96  ? 0.48285735 0.13052711 0.34627405 -0.10276522 0.01020612  -0.04030580 208 HIS   A CG   
1587 N  ND1  . HIS   A 96  ? 0.53792453 0.22834837 0.45612583 -0.11605164 0.03456149  0.10125926  208 HIS   A ND1  
1588 C  CD2  . HIS   A 96  ? 0.50750071 0.28734460 0.39104858 -0.10900261 -0.00027679 0.02302321  208 HIS   A CD2  
1589 C  CE1  . HIS   A 96  ? 0.54159737 0.21303514 0.46734384 -0.10893599 0.01075675  0.07722818  208 HIS   A CE1  
1590 N  NE2  . HIS   A 96  ? 0.49715739 0.29561275 0.36634234 -0.07003437 0.01410203  0.05733548  208 HIS   A NE2  
1591 H  H    . HIS   A 96  ? 0.43540722 0.06456710 0.32900819 -0.03432449 -0.02000882 -0.02099373 208 HIS   A H    
1592 H  HA   . HIS   A 96  ? 0.43021932 0.07582632 0.30432156 -0.04996199 -0.01112918 -0.01404384 208 HIS   A HA   
1593 H  HB2  . HIS   A 96  ? 0.44306552 0.10653694 0.31877324 -0.06878142 -0.00352686 -0.03028119 208 HIS   A HB2  
1594 H  HB3  . HIS   A 96  ? 0.44131273 0.10682333 0.31917468 -0.06915529 -0.00418668 -0.02996591 208 HIS   A HB3  
1595 H  HD1  . HIS   A 96  ? 0.45403284 0.45403284 0.45403284 0.00000000  0.00000000  0.00000000  208 HIS   A HD1  
1596 H  HD2  . HIS   A 96  ? 0.50467545 0.24807692 0.37596560 -0.09745195 0.00649313  0.01711900  208 HIS   A HD2  
1597 H  HE1  . HIS   A 96  ? 0.53400427 0.23349279 0.44738546 -0.09922151 0.01720927  0.07768032  208 HIS   A HE1  
1598 H  HE2  . HIS   A 96  ? 0.38629964 0.38629964 0.38629964 0.00000000  0.00000000  0.00000000  208 HIS   A HE2  
1599 N  N    . PHE   A 97  ? 0.39143309 0.05153017 0.31740922 -0.01023901 -0.00248690 0.03196696  209 PHE   A N    
1600 C  CA   . PHE   A 97  ? 0.36063156 0.12804489 0.30887204 -0.01820842 -0.00236738 0.02564088  209 PHE   A CA   
1601 C  C    . PHE   A 97  ? 0.32382166 0.10276408 0.30191010 -0.02885275 -0.00310417 0.00426529  209 PHE   A C    
1602 O  O    . PHE   A 97  ? 0.38416523 0.16303645 0.32463005 0.01492067  -0.01046224 -0.01393298 209 PHE   A O    
1603 C  CB   . PHE   A 97  ? 0.36765283 0.09154519 0.33527100 -0.04111104 0.00873450  -0.00350450 209 PHE   A CB   
1604 C  CG   . PHE   A 97  ? 0.38253388 0.10111936 0.32947004 -0.06778011 0.00624617  -0.01542487 209 PHE   A CG   
1605 C  CD1  . PHE   A 97  ? 0.38732973 0.14506873 0.30484080 -0.06307110 -0.00346621 -0.01476092 209 PHE   A CD1  
1606 C  CD2  . PHE   A 97  ? 0.38099778 0.05354830 0.35671377 -0.03993992 -0.00386652 0.01306255  209 PHE   A CD2  
1607 C  CE1  . PHE   A 97  ? 0.39508682 0.11828358 0.36388958 -0.01503507 0.00859094  -0.00653082 209 PHE   A CE1  
1608 C  CE2  . PHE   A 97  ? 0.38528025 0.07719992 0.34903389 -0.03962965 0.00106464  0.01250697  209 PHE   A CE2  
1609 C  CZ   . PHE   A 97  ? 0.40540409 0.09103098 0.31368124 -0.05827263 0.02100556  -0.01347114 209 PHE   A CZ   
1610 H  H    . PHE   A 97  ? 0.38877937 0.06843748 0.30695590 -0.02007191 -0.00623215 0.02873421  209 PHE   A H    
1611 H  HA   . PHE   A 97  ? 0.36266154 0.10655120 0.31353098 -0.02364658 -0.00016945 0.01744021  209 PHE   A HA   
1612 H  HB2  . PHE   A 97  ? 0.36829531 0.09885707 0.32979757 -0.04048874 0.00588128  0.00077150  209 PHE   A HB2  
1613 H  HB3  . PHE   A 97  ? 0.36886171 0.10005114 0.32949024 -0.04133567 0.00603519  0.00052629  209 PHE   A HB3  
1614 H  HD1  . PHE   A 97  ? 0.38585600 0.12952876 0.31633559 -0.05403196 -0.00187765 -0.01128932 209 PHE   A HD1  
1615 H  HD2  . PHE   A 97  ? 0.37962815 0.06904221 0.34914804 -0.04426152 -0.00024708 0.00689545  209 PHE   A HD2  
1616 H  HE1  . PHE   A 97  ? 0.38999125 0.11654897 0.33960381 -0.03127972 0.00980433  -0.00940468 209 PHE   A HE1  
1617 H  HE2  . PHE   A 97  ? 0.38870889 0.07680633 0.34258968 -0.04297604 0.00390445  0.00766980  209 PHE   A HE2  
1618 H  HZ   . PHE   A 97  ? 0.39872336 0.09272164 0.32143590 -0.04531293 0.01776303  -0.00900158 209 PHE   A HZ   
1619 N  N    . LYS   A 98  ? 0.36302036 0.09288332 0.31760293 -0.04674745 -0.00594326 -0.03572540 210 LYS   A N    
1620 C  CA   . LYS   A 98  ? 0.35167560 0.10647196 0.30106428 -0.02979571 -0.00302534 -0.03731523 210 LYS   A CA   
1621 C  C    . LYS   A 98  ? 0.32985309 0.12616968 0.34329453 -0.02013242 0.00383206  -0.02897178 210 LYS   A C    
1622 O  O    . LYS   A 98  ? 0.34124762 0.09300538 0.40638399 -0.03823793 0.02216333  -0.06451671 210 LYS   A O    
1623 C  CB   . LYS   A 98  ? 0.42864162 0.13708787 0.35954958 -0.02941516 -0.00526867 -0.01613338 210 LYS   A CB   
1624 C  CG   . LYS   A 98  ? 0.51414919 0.19711377 0.40183446 -0.00429717 -0.00717833 -0.02145527 210 LYS   A CG   
1625 C  CD   . LYS   A 98  ? 0.62962604 0.31980687 0.44155157 0.02563483  -0.04281588 -0.00282373 210 LYS   A CD   
1626 C  CE   . LYS   A 98  ? 0.66230738 0.40474224 0.54787517 0.05563898  -0.08596703 -0.04421167 210 LYS   A CE   
1627 N  NZ   . LYS   A 98  ? 0.69700235 0.39383039 0.53087813 0.09969070  -0.12644745 -0.05033475 210 LYS   A NZ   
1628 H  H    . LYS   A 98  ? 0.35661340 0.10024209 0.31110036 -0.04104761 -0.00548548 -0.02588223 210 LYS   A H    
1629 H  HA   . LYS   A 98  ? 0.35617071 0.11057931 0.31745476 -0.02903329 -0.00173675 -0.03230244 210 LYS   A HA   
1630 H  HB2  . LYS   A 98  ? 0.42028934 0.13823743 0.35000104 -0.02425324 -0.00408304 -0.02120071 210 LYS   A HB2  
1631 H  HB3  . LYS   A 98  ? 0.42372054 0.13933867 0.35049367 -0.02603220 -0.00429150 -0.02131372 210 LYS   A HB3  
1632 H  HG2  . LYS   A 98  ? 0.50535655 0.19889286 0.39735752 -0.00419058 -0.01239694 -0.01696455 210 LYS   A HG2  
1633 H  HG3  . LYS   A 98  ? 0.50782555 0.19845584 0.39625248 -0.00549350 -0.01164582 -0.01646321 210 LYS   A HG3  
1634 H  HD2  . LYS   A 98  ? 0.60957557 0.30234596 0.44913101 0.02449728  -0.04306848 -0.01077537 210 LYS   A HD2  
1635 H  HD3  . LYS   A 98  ? 0.60379380 0.31014651 0.44804618 0.02055458  -0.04057014 -0.00493132 210 LYS   A HD3  
1636 H  HE2  . LYS   A 98  ? 0.66423172 0.39330751 0.53074199 0.05560473  -0.08059841 -0.04490865 210 LYS   A HE2  
1637 H  HE3  . LYS   A 98  ? 0.66544032 0.38559994 0.52759200 0.05975287  -0.08533883 -0.03933482 210 LYS   A HE3  
1638 H  HZ1  . LYS   A 98  ? 0.68973130 0.39488265 0.53387070 0.08824647  -0.11792094 -0.04767827 210 LYS   A HZ1  
1639 H  HZ2  . LYS   A 98  ? 0.68244380 0.39009470 0.52785534 0.08642877  -0.11340897 -0.04494843 210 LYS   A HZ2  
1640 H  HZ3  . LYS   A 98  ? 0.68727940 0.39531359 0.53245133 0.08805377  -0.11498089 -0.04679548 210 LYS   A HZ3  
1641 N  N    . VAL   A 99  ? 0.33874857 0.12287135 0.29446906 -0.01502854 0.02486315  -0.02660162 211 VAL   A N    
1642 C  CA   . VAL   A 99  ? 0.32137969 0.14074171 0.26696500 -0.02607424 0.01317869  0.00816231  211 VAL   A CA   
1643 C  C    . VAL   A 99  ? 0.32249439 0.09785138 0.28304425 -0.04584390 0.02514953  0.00257703  211 VAL   A C    
1644 O  O    . VAL   A 99  ? 0.31815809 0.15717275 0.27697301 -0.00046615 0.03055391  0.00434046  211 VAL   A O    
1645 C  CB   . VAL   A 99  ? 0.35602623 0.13383561 0.31156343 -0.01045721 0.00830561  0.02310078  211 VAL   A CB   
1646 C  CG1  . VAL   A 99  ? 0.38343287 0.13091068 0.29500958 -0.02640176 0.01450948  0.00022185  211 VAL   A CG1  
1647 C  CG2  . VAL   A 99  ? 0.40114042 0.09341247 0.32727695 -0.02917562 0.00160095  0.03498532  211 VAL   A CG2  
1648 H  H    . VAL   A 99  ? 0.33474386 0.12716551 0.29918322 -0.01849269 0.01814207  -0.01953934 211 VAL   A H    
1649 H  HA   . VAL   A 99  ? 0.32844952 0.12857325 0.28128916 -0.02468595 0.01704974  0.00282927  211 VAL   A HA   
1650 H  HB   . VAL   A 99  ? 0.35822642 0.12813100 0.30325171 -0.01727899 0.01000148  0.01871245  211 VAL   A HB   
1651 H  HG11 . VAL   A 99  ? 0.37913859 0.13269684 0.29839760 -0.02339409 0.01272782  0.00584608  211 VAL   A HG11 
1652 H  HG12 . VAL   A 99  ? 0.37734598 0.13204725 0.29545972 -0.02284848 0.01317409  0.00490479  211 VAL   A HG12 
1653 H  HG13 . VAL   A 99  ? 0.37766737 0.13428816 0.29914224 -0.02310980 0.01346700  0.00428147  211 VAL   A HG13 
1654 H  HG21 . VAL   A 99  ? 0.39007309 0.09984992 0.32119462 -0.02384200 0.00271119  0.03497690  211 VAL   A HG21 
1655 H  HG22 . VAL   A 99  ? 0.38937017 0.10342299 0.32240787 -0.02509769 0.00314284  0.03229046  211 VAL   A HG22 
1656 H  HG23 . VAL   A 99  ? 0.39338478 0.10451999 0.32302424 -0.02615424 0.00196306  0.03324937  211 VAL   A HG23 
1657 N  N    . ALA   A 100 ? 0.33814764 0.09071252 0.29621235 -0.04923525 0.00559830  -0.01539095 212 ALA   A N    
1658 C  CA   . ALA   A 100 ? 0.34737954 0.12658525 0.26347536 -0.02532641 -0.00846240 0.00892541  212 ALA   A CA   
1659 C  C    . ALA   A 100 ? 0.33808732 0.11689219 0.32226041 -0.02278980 0.00701669  -0.03369595 212 ALA   A C    
1660 O  O    . ALA   A 100 ? 0.36528254 0.09236187 0.35578495 -0.02748553 0.01540901  -0.07014839 212 ALA   A O    
1661 C  CB   . ALA   A 100 ? 0.43959194 0.09878099 0.29679552 -0.05459010 -0.00684338 0.01957241  212 ALA   A CB   
1662 H  H    . ALA   A 100 ? 0.33775011 0.10022414 0.28790233 -0.04375876 0.00674387  -0.00595335 212 ALA   A H    
1663 H  HA   . ALA   A 100 ? 0.35422933 0.11577518 0.28408650 -0.03139435 -0.00108956 -0.00058458 212 ALA   A HA   
1664 H  HB1  . ALA   A 100 ? 0.41530302 0.10788144 0.28911030 -0.04625753 -0.00671486 0.01828534  212 ALA   A HB1  
1665 H  HB2  . ALA   A 100 ? 0.42105594 0.10947239 0.28997481 -0.04860060 -0.00891757 0.01932967  212 ALA   A HB2  
1666 H  HB3  . ALA   A 100 ? 0.41562766 0.10857215 0.29164669 -0.04578956 -0.00630724 0.01926182  212 ALA   A HB3  
1667 N  N    . VAL   A 101 ? 0.34978732 0.13310800 0.31350189 -0.02195946 0.01242912  -0.04747998 213 VAL   A N    
1668 C  CA   . VAL   A 101 ? 0.35177273 0.08968708 0.33195153 0.00149699  -0.01823303 -0.01221190 213 VAL   A CA   
1669 C  C    . VAL   A 101 ? 0.35039386 0.05605844 0.32802758 -0.00495633 0.00862107  -0.03949810 213 VAL   A C    
1670 O  O    . VAL   A 101 ? 0.35797673 0.13360444 0.28783590 -0.00433502 0.01318872  -0.04530499 213 VAL   A O    
1671 C  CB   . VAL   A 101 ? 0.38434577 0.06790982 0.30516958 0.00161329  -0.01570083 -0.02839099 213 VAL   A CB   
1672 C  CG1  . VAL   A 101 ? 0.43597889 0.05189598 0.31689769 -0.01678647 -0.05047966 -0.02764079 213 VAL   A CG1  
1673 C  CG2  . VAL   A 101 ? 0.38318181 0.07480863 0.34029877 -0.00320579 -0.01556500 -0.02632251 213 VAL   A CG2  
1674 H  H    . VAL   A 101 ? 0.34555125 0.12045737 0.31709781 -0.01741347 0.00702669  -0.03681959 213 VAL   A H    
1675 H  HA   . VAL   A 101 ? 0.35968888 0.08888417 0.32557601 -0.00480826 -0.00975718 -0.02490520 213 VAL   A HA   
1676 H  HB   . VAL   A 101 ? 0.38472342 0.06967115 0.31560922 -0.00003455 -0.01858207 -0.02563037 213 VAL   A HB   
1677 H  HG11 . VAL   A 101 ? 0.42760417 0.05700023 0.31576160 -0.01307835 -0.04398132 -0.02708798 213 VAL   A HG11 
1678 H  HG12 . VAL   A 101 ? 0.42335036 0.05668060 0.31381440 -0.01194574 -0.04152849 -0.02788897 213 VAL   A HG12 
1679 H  HG13 . VAL   A 101 ? 0.42383054 0.05651031 0.31445575 -0.01143576 -0.04166967 -0.02764629 213 VAL   A HG13 
1680 H  HG21 . VAL   A 101 ? 0.38382936 0.07474808 0.33052593 -0.00300376 -0.01552625 -0.02742040 213 VAL   A HG21 
1681 H  HG22 . VAL   A 101 ? 0.38345250 0.07399743 0.33031419 -0.00274440 -0.01558022 -0.02714006 213 VAL   A HG22 
1682 H  HG23 . VAL   A 101 ? 0.38443014 0.07389795 0.33077651 -0.00285966 -0.01624057 -0.02686721 213 VAL   A HG23 
1683 N  N    . ASN   A 102 ? 0.37762550 0.13678317 0.33758408 -0.00515461 0.00684201  -0.04751100 214 ASN   A N    
1684 C  CA   . ASN   A 102 ? 0.35063788 0.10690946 0.31638601 -0.00473185 -0.00693630 -0.05797236 214 ASN   A CA   
1685 C  C    . ASN   A 102 ? 0.43410385 0.17192070 0.28637674 -0.03425366 0.00542017  -0.04553485 214 ASN   A C    
1686 O  O    . ASN   A 102 ? 0.48222870 0.16384478 0.30608484 -0.01759757 0.04898030  -0.01579209 214 ASN   A O    
1687 C  CB   . ASN   A 102 ? 0.36282927 0.12235658 0.28972322 0.00021423  -0.00903516 -0.08368179 214 ASN   A CB   
1688 C  CG   . ASN   A 102 ? 0.35303098 0.05930649 0.30781150 0.05268648  0.01199452  -0.05048802 214 ASN   A CG   
1689 O  OD1  . ASN   A 102 ? 0.37703702 0.12813868 0.27711713 -0.00504015 0.01313900  -0.03378922 214 ASN   A OD1  
1690 N  ND2  . ASN   A 102 ? 0.38667077 0.05659091 0.32671207 0.05324357  0.01959857  -0.05859127 214 ASN   A ND2  
1691 H  H    . ASN   A 102 ? 0.36690938 0.11058052 0.33254585 -0.00485513 0.00287864  -0.04652187 214 ASN   A H    
1692 H  HA   . ASN   A 102 ? 0.35985303 0.12355068 0.31241140 -0.00591756 -0.00227889 -0.05766105 214 ASN   A HA   
1693 H  HB2  . ASN   A 102 ? 0.36299980 0.10740589 0.29695293 0.01005649  -0.00416496 -0.07126369 214 ASN   A HB2  
1694 H  HB3  . ASN   A 102 ? 0.35948735 0.10779270 0.29233423 0.01043769  -0.00586241 -0.07164503 214 ASN   A HB3  
1695 H  HD21 . ASN   A 102 ? 0.37823680 0.05885027 0.32128173 0.05189807  0.01580497  -0.05619600 214 ASN   A HD21 
1696 H  HD22 . ASN   A 102 ? 0.37743837 0.05947036 0.32126009 0.05306621  0.01653123  -0.05702087 214 ASN   A HD22 
1697 N  N    . ASP   A 103 ? 0.40574864 0.13604924 0.29896930 -0.04750884 0.01091402  -0.00613963 215 ASP   A N    
1698 C  CA   . ASP   A 103 ? 0.47214177 0.12777652 0.33506206 -0.06938611 0.01684187  -0.00167628 215 ASP   A CA   
1699 C  C    . ASP   A 103 ? 0.46234858 0.15372086 0.32442698 -0.04449039 0.02077075  0.03973280  215 ASP   A C    
1700 O  O    . ASP   A 103 ? 0.52183181 0.22609179 0.40907025 -0.02140847 0.02315514  0.13613287  215 ASP   A O    
1701 C  CB   . ASP   A 103 ? 0.51631087 0.20805864 0.35463020 -0.08208477 -0.01954947 0.01150824  215 ASP   A CB   
1702 C  CG   . ASP   A 103 ? 0.56211907 0.32531679 0.41376597 -0.04810488 -0.01729917 0.00800481  215 ASP   A CG   
1703 O  OD1  . ASP   A 103 ? 0.61954296 0.35377991 0.43783295 -0.08942874 -0.00984506 -0.01408023 215 ASP   A OD1  
1704 O  OD2  . ASP   A 103 ? 0.58253622 0.38658297 0.52328014 -0.00849518 -0.07726271 -0.02429320 215 ASP   A OD2  
1705 H  H    . ASP   A 103 ? 0.42171600 0.14145762 0.30181456 -0.04707418 0.01138356  -0.01376784 215 ASP   A H    
1706 H  HA   . ASP   A 103 ? 0.46412492 0.13820581 0.32499722 -0.06184478 0.01219114  0.00015463  215 ASP   A HA   
1707 H  HB2  . ASP   A 103 ? 0.51159644 0.20514011 0.35921595 -0.07263322 -0.01018627 0.00914961  215 ASP   A HB2  
1708 H  HB3  . ASP   A 103 ? 0.51165986 0.20373823 0.35886440 -0.07317339 -0.00995727 0.00994883  215 ASP   A HB3  
1709 N  N    . ALA   A 104 ? 0.45266584 0.16630176 0.33115503 -0.03242120 0.01716147  -0.00840974 216 ALA   A N    
1710 C  CA   . ALA   A 104 ? 0.45398897 0.18692486 0.32950974 -0.01104009 0.02748659  -0.02699427 216 ALA   A CA   
1711 C  C    . ALA   A 104 ? 0.41940722 0.14989261 0.30150712 -0.02591127 0.06189907  -0.04635199 216 ALA   A C    
1712 O  O    . ALA   A 104 ? 0.41348705 0.17395119 0.27851754 -0.04803037 0.03146347  -0.04317533 216 ALA   A O    
1713 C  CB   . ALA   A 104 ? 0.44314921 0.21881683 0.34834233 0.00136072  0.04017907  -0.06055282 216 ALA   A CB   
1714 H  H    . ALA   A 104 ? 0.45448238 0.16770679 0.33079609 -0.03047081 0.01798230  -0.00411220 216 ALA   A H    
1715 H  HA   . ALA   A 104 ? 0.44657063 0.18315092 0.32886660 -0.01483670 0.03286893  -0.03203356 216 ALA   A HA   
1716 H  HB1  . ALA   A 104 ? 0.44582441 0.21078782 0.34547803 -0.00138769 0.03756018  -0.05166316 216 ALA   A HB1  
1717 H  HB2  . ALA   A 104 ? 0.44613776 0.21380723 0.34729654 -0.00010644 0.03555336  -0.05492486 216 ALA   A HB2  
1718 H  HB3  . ALA   A 104 ? 0.44401568 0.21074034 0.34428257 -0.00137307 0.03712903  -0.05190725 216 ALA   A HB3  
1719 N  N    . HIS   A 105 ? 0.43567938 0.19799581 0.32291263 -0.05241386 0.03138109  0.02329164  217 HIS   A N    
1720 C  CA   . HIS   A 105 ? 0.41839772 0.19162650 0.33063701 -0.02373275 0.02683660  -0.01028045 217 HIS   A CA   
1721 C  C    . HIS   A 105 ? 0.43790275 0.18187173 0.31169689 0.00957227  0.04368243  -0.04890486 217 HIS   A C    
1722 O  O    . HIS   A 105 ? 0.46127051 0.16329560 0.29102641 0.00674329  0.04376686  -0.05056001 217 HIS   A O    
1723 C  CB   . HIS   A 105 ? 0.41656885 0.20349318 0.34403312 -0.04303937 0.02879582  0.01809159  217 HIS   A CB   
1724 C  CG   . HIS   A 105 ? 0.46480742 0.28415421 0.34040356 -0.04596096 0.03582239  0.03550215  217 HIS   A CG   
1725 N  ND1  . HIS   A 105 ? 0.51027745 0.37410641 0.34358355 -0.03511269 0.00730905  -0.00043184 217 HIS   A ND1  
1726 C  CD2  . HIS   A 105 ? 0.49091065 0.30661327 0.36695030 -0.02959602 0.01910916  0.03991031  217 HIS   A CD2  
1727 C  CE1  . HIS   A 105 ? 0.49158981 0.37792176 0.40265808 0.00158681  -0.01071815 -0.01017909 217 HIS   A CE1  
1728 N  NE2  . HIS   A 105 ? 0.48252529 0.29929015 0.32186815 -0.00385872 0.02770983  0.06118099  217 HIS   A NE2  
1729 H  H    . HIS   A 105 ? 0.42899051 0.18346211 0.31250635 -0.04127578 0.03829876  0.00488289  217 HIS   A H    
1730 H  HA   . HIS   A 105 ? 0.42379823 0.19255514 0.32849151 -0.02565264 0.03098857  -0.00720978 217 HIS   A HA   
1731 H  HB2  . HIS   A 105 ? 0.42374370 0.21109319 0.34201708 -0.03676915 0.02890436  0.01710906  217 HIS   A HB2  
1732 H  HB3  . HIS   A 105 ? 0.42453244 0.21373259 0.34251332 -0.03817815 0.02915148  0.01640579  217 HIS   A HB3  
1733 H  HD1  . HIS   A 105 ? 0.41793719 0.41793719 0.41793719 0.00000000  0.00000000  0.00000000  217 HIS   A HD1  
1734 H  HD2  . HIS   A 105 ? 0.48599589 0.30354837 0.35451105 -0.02943018 0.02229390  0.04478940  217 HIS   A HD2  
1735 H  HE1  . HIS   A 105 ? 0.49417037 0.35907373 0.37830901 -0.00555422 0.00146052  0.01127118  217 HIS   A HE1  
1736 H  HE2  . HIS   A 105 ? 0.35529536 0.35529536 0.35529536 0.00000000  0.00000000  0.00000000  217 HIS   A HE2  
1737 N  N    . LEU   A 106 ? 0.41848680 0.12284151 0.33090699 0.02812609  0.02056108  -0.02997325 218 LEU   A N    
1738 C  CA   . LEU   A 106 ? 0.39878741 0.11756148 0.34599009 0.03394826  0.01671913  -0.04273460 218 LEU   A CA   
1739 C  C    . LEU   A 106 ? 0.37929010 0.19454627 0.32103133 -0.00065080 0.03590253  0.00194174  218 LEU   A C    
1740 O  O    . LEU   A 106 ? 0.40968049 0.18662640 0.37770194 -0.02337898 0.02394499  -0.05221257 218 LEU   A O    
1741 C  CB   . LEU   A 106 ? 0.39761612 0.16204192 0.35419843 0.05413199  0.02054615  -0.04004455 218 LEU   A CB   
1742 C  CG   . LEU   A 106 ? 0.39564696 0.17749435 0.42270786 0.02969255  -0.01824491 -0.02375681 218 LEU   A CG   
1743 C  CD1  . LEU   A 106 ? 0.43654931 0.26173508 0.43521100 0.01010249  -0.00944522 -0.04717819 218 LEU   A CD1  
1744 C  CD2  . LEU   A 106 ? 0.41884232 0.11525320 0.39205006 -0.00706831 -0.03237313 -0.03206775 218 LEU   A CD2  
1745 H  H    . LEU   A 106 ? 0.41786149 0.13445343 0.32974604 0.02494991  0.02481148  -0.03581547 218 LEU   A H    
1746 H  HA   . LEU   A 106 ? 0.39947343 0.13457499 0.33730134 0.03201692  0.02323548  -0.03722043 218 LEU   A HA   
1747 H  HB2  . LEU   A 106 ? 0.39912772 0.15525945 0.36425802 0.04681257  0.01505364  -0.03750861 218 LEU   A HB2  
1748 H  HB3  . LEU   A 106 ? 0.39672324 0.15234764 0.35976434 0.04805461  0.01624758  -0.04063683 218 LEU   A HB3  
1749 H  HG   . LEU   A 106 ? 0.40526783 0.17311849 0.40775067 0.02529998  -0.01256084 -0.02989611 218 LEU   A HG   
1750 H  HD11 . LEU   A 106 ? 0.42876756 0.23974386 0.43258542 0.01700604  -0.01143835 -0.04255953 218 LEU   A HD11 
1751 H  HD12 . LEU   A 106 ? 0.42763346 0.24833456 0.43603748 0.01297718  -0.00869797 -0.04710744 218 LEU   A HD12 
1752 H  HD13 . LEU   A 106 ? 0.42778316 0.24051517 0.43371695 0.01610965  -0.00941771 -0.04159936 218 LEU   A HD13 
1753 H  HD21 . LEU   A 106 ? 0.41391891 0.12732729 0.39601290 0.00299108  -0.02818786 -0.03141673 218 LEU   A HD21 
1754 H  HD22 . LEU   A 106 ? 0.41219521 0.12836026 0.39598173 0.00184260  -0.03028193 -0.03066939 218 LEU   A HD22 
1755 H  HD23 . LEU   A 106 ? 0.41386339 0.12657462 0.39656746 0.00320214  -0.02916794 -0.02904242 218 LEU   A HD23 
1756 N  N    . LEU   A 107 ? 0.37012026 0.21035388 0.31791994 -0.00392250 0.01065355  -0.01531056 219 LEU   A N    
1757 C  CA   . LEU   A 107 ? 0.38014692 0.22387764 0.31981775 0.01355730  0.02023134  -0.02017553 219 LEU   A CA   
1758 C  C    . LEU   A 107 ? 0.36210373 0.16604818 0.31795058 0.00088672  -0.00222073 0.01270188  219 LEU   A C    
1759 O  O    . LEU   A 107 ? 0.37015170 0.20639116 0.28819475 0.02138546  0.00788300  0.02202343  219 LEU   A O    
1760 C  CB   . LEU   A 107 ? 0.39623085 0.22033282 0.29893211 0.00960336  0.01127742  -0.00894268 219 LEU   A CB   
1761 C  CG   . LEU   A 107 ? 0.41609454 0.15956913 0.29757228 -0.02068063 0.01407667  0.03540804  219 LEU   A CG   
1762 C  CD1  . LEU   A 107 ? 0.42439777 0.20177385 0.28501332 -0.02966337 0.00762493  0.03001627  219 LEU   A CD1  
1763 C  CD2  . LEU   A 107 ? 0.40781456 0.16413511 0.30793452 0.00832992  0.02552860  0.06263333  219 LEU   A CD2  
1764 H  H    . LEU   A 107 ? 0.37547976 0.20719451 0.31989884 0.00021038  0.01777662  -0.01255510 219 LEU   A H    
1765 H  HA   . LEU   A 107 ? 0.37714571 0.21053779 0.31597301 0.00766138  0.01403660  -0.01193701 219 LEU   A HA   
1766 H  HB2  . LEU   A 107 ? 0.39615074 0.20747775 0.30194968 0.00357849  0.01273415  -0.00137489 219 LEU   A HB2  
1767 H  HB3  . LEU   A 107 ? 0.39704606 0.20718785 0.30298549 0.00418588  0.01378499  -0.00120097 219 LEU   A HB3  
1768 H  HG   . LEU   A 107 ? 0.41396728 0.17735825 0.29789403 -0.01269320 0.01478077  0.03159584  219 LEU   A HG   
1769 H  HD11 . LEU   A 107 ? 0.42191139 0.19807695 0.28932929 -0.02715101 0.00954565  0.02913548  219 LEU   A HD11 
1770 H  HD12 . LEU   A 107 ? 0.42284942 0.19233698 0.28886485 -0.02674206 0.00910656  0.03093557  219 LEU   A HD12 
1771 H  HD13 . LEU   A 107 ? 0.42196301 0.19235410 0.28858542 -0.02674940 0.00927271  0.03091924  219 LEU   A HD13 
1772 H  HD21 . LEU   A 107 ? 0.40954792 0.16491604 0.30807117 0.00078956  0.02280745  0.05756180  219 LEU   A HD21 
1773 H  HD22 . LEU   A 107 ? 0.40937573 0.16340731 0.30562654 0.00090455  0.02281332  0.05610563  219 LEU   A HD22 
1774 H  HD23 . LEU   A 107 ? 0.40884092 0.16313973 0.30547404 0.00070460  0.02320100  0.05583667  219 LEU   A HD23 
1775 N  N    . GLN   A 108 ? 0.37544966 0.18513156 0.29885954 -0.00117708 0.00845100  0.01624926  220 GLN   A N    
1776 C  CA   . GLN   A 108 ? 0.38267019 0.18974470 0.28448579 -0.03526535 -0.00069522 -0.00053199 220 GLN   A CA   
1777 C  C    . GLN   A 108 ? 0.31814799 0.15059082 0.28159857 -0.03260846 0.01310166  0.01991129  220 GLN   A C    
1778 O  O    . GLN   A 108 ? 0.34096056 0.26657870 0.36330113 0.02249582  0.01869553  -0.02392225 220 GLN   A O    
1779 C  CB   . GLN   A 108 ? 0.48115373 0.20404036 0.35743049 -0.05140463 0.00781655  0.03806340  220 GLN   A CB   
1780 C  CG   . GLN   A 108 ? 0.56054127 0.31163993 0.40311334 -0.05911672 -0.02245711 0.04134102  220 GLN   A CG   
1781 C  CD   . GLN   A 108 ? 0.64610720 0.37000343 0.47818369 -0.09515838 -0.02545418 0.11871117  220 GLN   A CD   
1782 O  OE1  . GLN   A 108 ? 0.84258986 0.54489642 0.46246147 -0.07280193 0.00812124  0.17337306  220 GLN   A OE1  
1783 N  NE2  . GLN   A 108 ? 0.65581095 0.31655547 0.52572078 -0.19237074 -0.01909402 0.10343243  220 GLN   A NE2  
1784 H  H    . GLN   A 108 ? 0.37240475 0.18266068 0.30007967 -0.00664850 0.00532451  0.01148847  220 GLN   A H    
1785 H  HA   . GLN   A 108 ? 0.38153139 0.18309112 0.29393774 -0.03053143 0.00446899  0.01169481  220 GLN   A HA   
1786 H  HB2  . GLN   A 108 ? 0.47179300 0.21746781 0.34695968 -0.05098791 0.00122803  0.03146929  220 GLN   A HB2  
1787 H  HB3  . GLN   A 108 ? 0.46733126 0.21827760 0.34801212 -0.04970339 0.00172822  0.03291870  220 GLN   A HB3  
1788 H  HG2  . GLN   A 108 ? 0.55524230 0.29193833 0.40066257 -0.06354712 -0.01571455 0.05344664  220 GLN   A HG2  
1789 H  HG3  . GLN   A 108 ? 0.55143309 0.29137030 0.39993736 -0.06192996 -0.01510260 0.05302700  220 GLN   A HG3  
1790 H  HE21 . GLN   A 108 ? 0.64351225 0.32628778 0.51465869 -0.16536519 -0.01460786 0.09911248  220 GLN   A HE21 
1791 H  HE22 . GLN   A 108 ? 0.64306378 0.31897348 0.51049829 -0.17505679 -0.01372449 0.11090434  220 GLN   A HE22 
1792 N  N    . TYR   A 109 ? 0.33038789 0.10642716 0.29754522 -0.01951076 0.01704241  0.01395392  221 TYR   A N    
1793 C  CA   . TYR   A 109 ? 0.34981638 0.11315528 0.29263768 -0.01531370 -0.00075799 0.00153324  221 TYR   A CA   
1794 C  C    . TYR   A 109 ? 0.36376417 0.13879959 0.26705790 -0.01855000 -0.00784848 -0.01268614 221 TYR   A C    
1795 O  O    . TYR   A 109 ? 0.35952845 0.12971161 0.32830328 -0.01781309 0.00253926  0.02040414  221 TYR   A O    
1796 C  CB   . TYR   A 109 ? 0.33718792 0.12074189 0.29856980 -0.00021987 0.00715945  -0.00116564 221 TYR   A CB   
1797 C  CG   . TYR   A 109 ? 0.33491942 0.11782439 0.29844970 -0.02385037 0.03025822  0.02240062  221 TYR   A CG   
1798 C  CD1  . TYR   A 109 ? 0.39438230 0.12103847 0.30734199 -0.00374585 0.01538444  0.00891969  221 TYR   A CD1  
1799 C  CD2  . TYR   A 109 ? 0.36072960 0.11594958 0.30121550 -0.01998648 0.03213496  0.02679402  221 TYR   A CD2  
1800 C  CE1  . TYR   A 109 ? 0.40013856 0.09151290 0.30523610 -0.01193962 0.00621464  0.03026609  221 TYR   A CE1  
1801 C  CE2  . TYR   A 109 ? 0.38060260 0.12767324 0.32013994 -0.01073347 0.02417810  0.02216642  221 TYR   A CE2  
1802 C  CZ   . TYR   A 109 ? 0.37556428 0.12203726 0.29512873 -0.01131738 -0.00204972 0.00621735  221 TYR   A CZ   
1803 O  OH   . TYR   A 109 ? 0.37372217 0.10343405 0.30571440 -0.02569026 0.00788283  0.01352576  221 TYR   A OH   
1804 H  H    . TYR   A 109 ? 0.33009949 0.11687860 0.29322028 -0.01940015 0.01231470  0.01302201  221 TYR   A H    
1805 H  HA   . TYR   A 109 ? 0.34844413 0.11899690 0.29183406 -0.01405308 0.00247301  0.00134143  221 TYR   A HA   
1806 H  HB2  . TYR   A 109 ? 0.33906579 0.11747479 0.29678670 -0.00786187 0.01041616  0.00351528  221 TYR   A HB2  
1807 H  HB3  . TYR   A 109 ? 0.33653837 0.11693819 0.29716581 -0.00616749 0.01067942  0.00380507  221 TYR   A HB3  
1808 H  HD1  . TYR   A 109 ? 0.38243726 0.11377470 0.30363199 -0.00937037 0.01715956  0.01618193  221 TYR   A HD1  
1809 H  HD2  . TYR   A 109 ? 0.35923401 0.11814699 0.30394870 -0.01864317 0.02956907  0.02462550  221 TYR   A HD2  
1810 H  HE1  . TYR   A 109 ? 0.39176065 0.10075358 0.30377242 -0.00790613 0.00690648  0.02087944  221 TYR   A HE1  
1811 H  HE2  . TYR   A 109 ? 0.37571537 0.12455934 0.31333756 -0.01323582 0.01950055  0.02192614  221 TYR   A HE2  
1812 H  HH   . TYR   A 109 ? 0.26329574 0.26329574 0.26329574 0.00000000  0.00000000  0.00000000  221 TYR   A HH   
1813 N  N    . ASN   A 110 ? 0.40685812 0.15597248 0.32802978 -0.01570955 -0.01518817 -0.01873659 222 ASN   A N    
1814 C  CA   . ASN   A 110 ? 0.42313379 0.14141157 0.31456015 -0.03770487 -0.00262224 -0.00638528 222 ASN   A CA   
1815 C  C    . ASN   A 110 ? 0.41861513 0.14163123 0.29779533 -0.00153281 -0.00101824 -0.00094833 222 ASN   A C    
1816 O  O    . ASN   A 110 ? 0.39944658 0.13268788 0.28963053 -0.06165709 -0.01568434 0.00805222  222 ASN   A O    
1817 C  CB   . ASN   A 110 ? 0.45208228 0.15221269 0.37846816 -0.05433945 0.00295599  0.03972097  222 ASN   A CB   
1818 C  CG   . ASN   A 110 ? 0.45769131 0.28746659 0.44254738 -0.06274189 0.03030220  0.06808969  222 ASN   A CG   
1819 O  OD1  . ASN   A 110 ? 0.53985620 0.33386937 0.57042289 0.01885489  0.07492492  0.04879618  222 ASN   A OD1  
1820 N  ND2  . ASN   A 110 ? 0.45378146 0.35304326 0.40946698 -0.08491834 0.04931766  0.09319912  222 ASN   A ND2  
1821 H  H    . ASN   A 110 ? 0.39962396 0.14987919 0.31115830 -0.02157691 -0.01099787 -0.01389244 222 ASN   A H    
1822 H  HA   . ASN   A 110 ? 0.42455745 0.14780104 0.32356039 -0.03137061 -0.00211852 -0.00070623 222 ASN   A HA   
1823 H  HB2  . ASN   A 110 ? 0.44515765 0.16135958 0.36978191 -0.04848808 0.00545527  0.03721567  222 ASN   A HB2  
1824 H  HB3  . ASN   A 110 ? 0.44590628 0.16603015 0.37029076 -0.05038435 0.00632143  0.03467258  222 ASN   A HB3  
1825 H  HD21 . ASN   A 110 ? 0.45786038 0.32437593 0.41228586 -0.07904761 0.04213451  0.08199035  222 ASN   A HD21 
1826 H  HD22 . ASN   A 110 ? 0.45415425 0.33168232 0.41115054 -0.07804447 0.04698431  0.08481030  222 ASN   A HD22 
1827 N  N    . HIS   A 111 ? 0.42972773 0.07810825 0.31752244 -0.01967395 0.00950159  0.01081257  223 HIS   A N    
1828 C  CA   . HIS   A 111 ? 0.39504465 0.05994800 0.31594008 -0.03723135 0.00085666  0.02219827  223 HIS   A CA   
1829 C  C    . HIS   A 111 ? 0.39090484 0.17687005 0.31344438 -0.06364715 0.00808217  0.02071131  223 HIS   A C    
1830 O  O    . HIS   A 111 ? 0.38527322 0.18109441 0.34828976 -0.07689904 -0.02112105 0.04805569  223 HIS   A O    
1831 C  CB   . HIS   A 111 ? 0.39133897 0.04609653 0.31099701 -0.05383325 0.00264491  -0.00046017 223 HIS   A CB   
1832 C  CG   . HIS   A 111 ? 0.38272661 0.06598572 0.30078387 -0.04837502 0.00451610  0.00255413  223 HIS   A CG   
1833 N  ND1  . HIS   A 111 ? 0.38597709 0.08293872 0.31191078 -0.04629932 -0.00729254 -0.02149114 223 HIS   A ND1  
1834 C  CD2  . HIS   A 111 ? 0.39110261 0.02451390 0.34491393 -0.06137728 0.00277609  0.01609423  223 HIS   A CD2  
1835 C  CE1  . HIS   A 111 ? 0.37970835 0.07648052 0.31955090 -0.05483045 -0.00438273 -0.00167210 223 HIS   A CE1  
1836 N  NE2  . HIS   A 111 ? 0.41645879 0.06537113 0.34647077 -0.05135906 0.01268954  -0.00569326 223 HIS   A NE2  
1837 H  H    . HIS   A 111 ? 0.41939923 0.08440930 0.31238171 -0.02046519 0.00576578  0.01226977  223 HIS   A H    
1838 H  HA   . HIS   A 111 ? 0.39686719 0.07481322 0.31554490 -0.04341577 0.00401646  0.01663372  223 HIS   A HA   
1839 H  HB2  . HIS   A 111 ? 0.38852233 0.05100860 0.30997056 -0.05171826 0.00305471  0.00533559  223 HIS   A HB2  
1840 H  HB3  . HIS   A 111 ? 0.39078242 0.05283714 0.31005472 -0.04987226 0.00272552  0.00487909  223 HIS   A HB3  
1841 H  HD1  . HIS   A 111 ? 0.26190260 0.26190260 0.26190260 0.00000000  0.00000000  0.00000000  223 HIS   A HD1  
1842 H  HD2  . HIS   A 111 ? 0.38913065 0.03067916 0.33630738 -0.06377120 0.00623452  0.01064648  223 HIS   A HD2  
1843 H  HE1  . HIS   A 111 ? 0.38404262 0.07466462 0.32256150 -0.05373482 -0.00297581 -0.00692291 223 HIS   A HE1  
1844 H  HE2  . HIS   A 111 ? 0.28602967 0.28602967 0.28602967 0.00000000  0.00000000  0.00000000  223 HIS   A HE2  
1845 N  N    . ARG   A 112 ? 0.43761799 0.12472564 0.30002651 -0.05169703 0.00793118  0.00190397  224 ARG   A N    
1846 C  CA   . ARG   A 112 ? 0.39753407 0.10417879 0.32440779 -0.05439574 -0.00412404 0.01017758  224 ARG   A CA   
1847 C  C    . ARG   A 112 ? 0.40186191 0.13017118 0.32349300 -0.01674873 -0.01873031 0.00635142  224 ARG   A C    
1848 O  O    . ARG   A 112 ? 0.41368759 0.13238250 0.31666049 0.00177290  -0.03896586 0.01369408  224 ARG   A O    
1849 C  CB   . ARG   A 112 ? 0.39688140 0.09362812 0.31575480 -0.04726309 0.00402663  0.00465873  224 ARG   A CB   
1850 C  CG   . ARG   A 112 ? 0.42824814 0.08193582 0.35010472 -0.01541663 0.00602101  0.02102888  224 ARG   A CG   
1851 C  CD   . ARG   A 112 ? 0.41167277 0.08098949 0.34059787 -0.00917955 0.00363417  0.02285898  224 ARG   A CD   
1852 N  NE   . ARG   A 112 ? 0.42929003 0.14095993 0.28679198 -0.00043949 0.01319912  0.05849516  224 ARG   A NE   
1853 C  CZ   . ARG   A 112 ? 0.37804243 0.16398700 0.34712142 0.02264240  0.02009082  0.01541638  224 ARG   A CZ   
1854 N  NH1  . ARG   A 112 ? 0.40202132 0.11455581 0.35331300 -0.00830244 -0.02718182 0.01206905  224 ARG   A NH1  
1855 N  NH2  . ARG   A 112 ? 0.43704826 0.08123973 0.33660844 0.06579629  -0.00458618 0.00156996  224 ARG   A NH2  
1856 H  H    . ARG   A 112 ? 0.42246613 0.13160288 0.30860502 -0.05142303 0.00717696  0.00873769  224 ARG   A H    
1857 H  HA   . ARG   A 112 ? 0.39902541 0.10934255 0.31984025 -0.04932687 -0.00251275 0.00785198  224 ARG   A HA   
1858 H  HB2  . ARG   A 112 ? 0.39852214 0.09340683 0.32288390 -0.04401459 0.00292662  0.00955778  224 ARG   A HB2  
1859 H  HB3  . ARG   A 112 ? 0.40085277 0.09387854 0.32176265 -0.04275821 0.00218943  0.00969266  224 ARG   A HB3  
1860 H  HG2  . ARG   A 112 ? 0.42287260 0.08593711 0.34078449 -0.01801825 0.00560528  0.01770506  224 ARG   A HG2  
1861 H  HG3  . ARG   A 112 ? 0.42068455 0.08546229 0.34292507 -0.01974371 0.00757699  0.01782720  224 ARG   A HG3  
1862 H  HD2  . ARG   A 112 ? 0.41605204 0.09275004 0.33338502 -0.00907346 0.00629929  0.03000286  224 ARG   A HD2  
1863 H  HD3  . ARG   A 112 ? 0.41713277 0.09267677 0.33367714 -0.00848804 0.00607369  0.03013211  224 ARG   A HD3  
1864 H  HE   . ARG   A 112 ? 0.41683668 0.12523603 0.29630387 0.00175408  0.01603825  0.05208861  224 ARG   A HE   
1865 H  HH11 . ARG   A 112 ? 0.39852881 0.11898662 0.35196963 0.00195139  -0.01441711 0.01339346  224 ARG   A HH11 
1866 H  HH12 . ARG   A 112 ? 0.39903748 0.12449157 0.35405833 -0.00013941 -0.01498594 0.01546404  224 ARG   A HH12 
1867 H  HH21 . ARG   A 112 ? 0.42284301 0.07992289 0.34015328 0.05814293  0.00206598  0.00566195  224 ARG   A HH21 
1868 H  HH22 . ARG   A 112 ? 0.42387310 0.09817731 0.33938614 0.05495204  0.00235991  0.00679401  224 ARG   A HH22 
1869 N  N    . VAL   A 113 ? 0.38480458 0.14027239 0.32863292 -0.04102882 0.03345000  -0.01413096 225 VAL   A N    
1870 C  CA   . VAL   A 113 ? 0.41055483 0.05591809 0.31289893 -0.04750098 0.01062920  -0.01210791 225 VAL   A CA   
1871 C  C    . VAL   A 113 ? 0.41134101 0.09121492 0.30651727 -0.03803592 -0.00289487 0.01677272  225 VAL   A C    
1872 O  O    . VAL   A 113 ? 0.47484514 0.07578387 0.30996639 -0.04522005 -0.01085074 -0.02108826 225 VAL   A O    
1873 C  CB   . VAL   A 113 ? 0.42436424 0.12640250 0.32456410 -0.05381679 0.03040618  -0.01844941 225 VAL   A CB   
1874 C  CG1  . VAL   A 113 ? 0.44817209 0.10352042 0.34292355 -0.05029644 0.02222397  -0.04589992 225 VAL   A CG1  
1875 C  CG2  . VAL   A 113 ? 0.48465940 0.07881536 0.31706840 -0.09158269 0.01295023  -0.03111271 225 VAL   A CG2  
1876 H  H    . VAL   A 113 ? 0.39663202 0.12212203 0.32705134 -0.03580857 0.02037737  -0.00557653 225 VAL   A H    
1877 H  HA   . VAL   A 113 ? 0.40924969 0.08565360 0.31358048 -0.04505356 0.01333633  -0.00809583 225 VAL   A HA   
1878 H  HB   . VAL   A 113 ? 0.43555006 0.10229055 0.32766849 -0.05633021 0.02485625  -0.02166747 225 VAL   A HB   
1879 H  HG11 . VAL   A 113 ? 0.44291747 0.10980834 0.33785066 -0.05108041 0.02405794  -0.03892808 225 VAL   A HG11 
1880 H  HG12 . VAL   A 113 ? 0.44292992 0.11100108 0.33851007 -0.05135074 0.02426937  -0.03946101 225 VAL   A HG12 
1881 H  HG13 . VAL   A 113 ? 0.44448698 0.11022802 0.33795777 -0.05044013 0.02390142  -0.03890181 225 VAL   A HG13 
1882 H  HG21 . VAL   A 113 ? 0.47070959 0.09150937 0.31853288 -0.08099516 0.01682720  -0.02719879 225 VAL   A HG21 
1883 H  HG22 . VAL   A 113 ? 0.47279567 0.09309389 0.31932905 -0.08293519 0.01569347  -0.02608815 225 VAL   A HG22 
1884 H  HG23 . VAL   A 113 ? 0.47106877 0.09140611 0.31587431 -0.08189492 0.01581418  -0.02788724 225 VAL   A HG23 
1885 N  N    . LYS   A 114 ? 0.43671528 0.15399304 0.29442722 -0.07075212 0.00006054  0.01248834  226 LYS   A N    
1886 C  CA   . LYS   A 114 ? 0.43637142 0.16353677 0.33725446 -0.05720573 0.01593424  0.02709874  226 LYS   A CA   
1887 C  C    . LYS   A 114 ? 0.39669192 0.15590835 0.31486163 -0.04728501 -0.00144406 0.04705075  226 LYS   A C    
1888 O  O    . LYS   A 114 ? 0.51350754 0.13037454 0.42114112 -0.00557324 0.03694263  0.08046196  226 LYS   A O    
1889 C  CB   . LYS   A 114 ? 0.43924809 0.16165607 0.43454581 -0.05709051 -0.00972395 -0.01733415 226 LYS   A CB   
1890 C  CG   . LYS   A 114 ? 0.47276592 0.19788344 0.43885118 -0.05079611 -0.03608999 0.01955155  226 LYS   A CG   
1891 C  CD   . LYS   A 114 ? 0.46788844 0.22888274 0.40731770 -0.07427165 -0.05746214 0.00368663  226 LYS   A CD   
1892 C  CE   . LYS   A 114 ? 0.44693542 0.27645138 0.36951798 -0.08749294 -0.06609006 -0.03064144 226 LYS   A CE   
1893 N  NZ   . LYS   A 114 ? 0.45361131 0.38093066 0.35524210 -0.09997341 -0.05649130 -0.02839785 226 LYS   A NZ   
1894 H  H    . LYS   A 114 ? 0.43084827 0.14077054 0.30101675 -0.06005557 0.00104186  0.01661247  226 LYS   A H    
1895 H  HA   . LYS   A 114 ? 0.43066269 0.16035277 0.33646849 -0.05723532 0.00732155  0.02183491  226 LYS   A HA   
1896 H  HB2  . LYS   A 114 ? 0.44515532 0.16988686 0.41842613 -0.05509494 -0.00840820 -0.00048910 226 LYS   A HB2  
1897 H  HB3  . LYS   A 114 ? 0.44554752 0.17601284 0.42082849 -0.05373425 -0.00917267 -0.00567831 226 LYS   A HB3  
1898 H  HG2  . LYS   A 114 ? 0.46518296 0.19582646 0.42783266 -0.05523166 -0.03357664 0.01081474  226 LYS   A HG2  
1899 H  HG3  . LYS   A 114 ? 0.46871957 0.20065656 0.43150282 -0.05188119 -0.03221938 0.01149832  226 LYS   A HG3  
1900 H  HD2  . LYS   A 114 ? 0.46398091 0.23112151 0.40412164 -0.07258677 -0.05459169 0.00180892  226 LYS   A HD2  
1901 H  HD3  . LYS   A 114 ? 0.46373203 0.23143633 0.40494403 -0.07319703 -0.05468416 0.00067515  226 LYS   A HD3  
1902 H  HE2  . LYS   A 114 ? 0.45177609 0.28577402 0.37317541 -0.08734736 -0.06260262 -0.02346789 226 LYS   A HE2  
1903 H  HE3  . LYS   A 114 ? 0.44871593 0.28106856 0.37224448 -0.09126731 -0.06438505 -0.02611358 226 LYS   A HE3  
1904 H  HZ1  . LYS   A 114 ? 0.45612964 0.35604653 0.36265725 -0.09177177 -0.05602414 -0.02651790 226 LYS   A HZ1  
1905 H  HZ2  . LYS   A 114 ? 0.45364127 0.35626748 0.36495230 -0.09540655 -0.05723887 -0.03231612 226 LYS   A HZ2  
1906 H  HZ3  . LYS   A 114 ? 0.45555052 0.35246497 0.36152154 -0.09592016 -0.05756046 -0.02875108 226 LYS   A HZ3  
1907 N  N    . LYS   A 115 ? 0.41647145 0.13690013 0.33452258 -0.05763754 0.00044645  -0.00275058 227 LYS   A N    
1908 C  CA   . LYS   A 115 ? 0.41353062 0.13554536 0.38188109 -0.05988376 0.02001987  0.01060357  227 LYS   A CA   
1909 C  C    . LYS   A 115 ? 0.40326732 0.07649425 0.35888624 -0.03815817 0.03335576  -0.03757118 227 LYS   A C    
1910 O  O    . LYS   A 115 ? 0.48583961 0.09010268 0.40203986 -0.06739928 0.02649200  0.04925733  227 LYS   A O    
1911 C  CB   . LYS   A 115 ? 0.48585594 0.26565754 0.39715043 -0.11436100 0.01164506  0.03074099  227 LYS   A CB   
1912 C  CG   . LYS   A 115 ? 0.58284414 0.36962333 0.49212652 -0.15439364 0.00078522  0.00912417  227 LYS   A CG   
1913 C  CD   . LYS   A 115 ? 0.60197920 0.50110805 0.51213521 -0.18002701 0.03588890  -0.01184751 227 LYS   A CD   
1914 C  CE   . LYS   A 115 ? 0.65528482 0.56247747 0.55658221 -0.21616970 0.03528105  -0.00806684 227 LYS   A CE   
1915 N  NZ   . LYS   A 115 ? 0.61525184 0.62329990 0.60000521 -0.22922298 0.01961342  0.04172782  227 LYS   A NZ   
1916 H  H    . LYS   A 115 ? 0.41348588 0.14380015 0.34081674 -0.05709866 0.00499376  0.00836026  227 LYS   A H    
1917 H  HA   . LYS   A 115 ? 0.42078635 0.13511044 0.37027833 -0.06260239 0.01806174  0.00369485  227 LYS   A HA   
1918 H  HB2  . LYS   A 115 ? 0.48251322 0.25707316 0.40724057 -0.10543603 0.01368000  0.02204230  227 LYS   A HB2  
1919 H  HB3  . LYS   A 115 ? 0.48642033 0.24950019 0.40725341 -0.10725021 0.01354411  0.02347916  227 LYS   A HB3  
1920 H  HG2  . LYS   A 115 ? 0.56395948 0.36838999 0.47197244 -0.14575073 0.00917643  0.00923372  227 LYS   A HG2  
1921 H  HG3  . LYS   A 115 ? 0.56951267 0.36562687 0.47205511 -0.15019490 0.00960839  0.01019144  227 LYS   A HG3  
1922 H  HD2  . LYS   A 115 ? 0.60540909 0.48924387 0.51681292 -0.17738029 0.02686580  -0.01115920 227 LYS   A HD2  
1923 H  HD3  . LYS   A 115 ? 0.60641813 0.48138183 0.51600492 -0.17944841 0.02856323  -0.00821738 227 LYS   A HD3  
1924 H  HE2  . LYS   A 115 ? 0.64180458 0.56154579 0.55365121 -0.21055107 0.03346875  0.00102418  227 LYS   A HE2  
1925 H  HE3  . LYS   A 115 ? 0.64558953 0.55422038 0.55380464 -0.20697851 0.03033428  0.00022297  227 LYS   A HE3  
1926 H  HZ1  . LYS   A 115 ? 0.62318248 0.60928959 0.58924216 -0.22500102 0.02487298  0.03048909  227 LYS   A HZ1  
1927 H  HZ2  . LYS   A 115 ? 0.62499475 0.61364698 0.58907127 -0.22674094 0.02428761  0.03041347  227 LYS   A HZ2  
1928 H  HZ3  . LYS   A 115 ? 0.62561601 0.61045098 0.59052551 -0.22370528 0.02551071  0.03160276  227 LYS   A HZ3  
1929 N  N    . LEU   A 116 ? 0.42094919 0.09943472 0.37112522 -0.05481743 0.04917687  -0.04802468 228 LEU   A N    
1930 C  CA   . LEU   A 116 ? 0.43571123 0.04628187 0.26923570 -0.01055762 0.04788600  -0.04319570 228 LEU   A CA   
1931 C  C    . LEU   A 116 ? 0.46614411 0.14235000 0.26381475 -0.00509731 0.04044262  -0.05135994 228 LEU   A C    
1932 O  O    . LEU   A 116 ? 0.43007794 0.08013513 0.34521684 0.02907450  0.01867400  -0.01870985 228 LEU   A O    
1933 C  CB   . LEU   A 116 ? 0.48066819 0.11829703 0.20470080 0.01142966  0.04217492  -0.11840092 228 LEU   A CB   
1934 C  CG   . LEU   A 116 ? 0.45353338 0.13070008 0.24590740 0.01037541  0.03977783  -0.05196128 228 LEU   A CG   
1935 C  CD1  . LEU   A 116 ? 0.47229630 0.19839317 0.22726646 -0.00429218 0.05912413  -0.03208429 228 LEU   A CD1  
1936 C  CD2  . LEU   A 116 ? 0.50361264 0.10467300 0.34050784 -0.00003577 0.06073631  -0.02483505 228 LEU   A CD2  
1937 H  H    . LEU   A 116 ? 0.41965663 0.08346143 0.34330022 -0.04235971 0.04666759  -0.04303685 228 LEU   A H    
1938 H  HA   . LEU   A 116 ? 0.44798815 0.04922280 0.27918613 -0.00840300 0.04846296  -0.05659167 228 LEU   A HA   
1939 H  HB2  . LEU   A 116 ? 0.46794018 0.11481491 0.22673008 0.00614886  0.04395798  -0.08777732 228 LEU   A HB2  
1940 H  HB3  . LEU   A 116 ? 0.46364117 0.10904802 0.22430675 0.00444699  0.04076463  -0.08930609 228 LEU   A HB3  
1941 H  HG   . LEU   A 116 ? 0.46498406 0.13358727 0.24632603 0.00578862  0.04411887  -0.05621319 228 LEU   A HG   
1942 H  HD11 . LEU   A 116 ? 0.46863899 0.19279245 0.23349805 -0.00323410 0.05475707  -0.03699803 228 LEU   A HD11 
1943 H  HD12 . LEU   A 116 ? 0.46833733 0.18175973 0.23355341 -0.00061066 0.05472807  -0.03740947 228 LEU   A HD12 
1944 H  HD13 . LEU   A 116 ? 0.46948385 0.18247366 0.23454984 0.00047100  0.05612208  -0.03652737 228 LEU   A HD13 
1945 H  HD21 . LEU   A 116 ? 0.49039277 0.11472555 0.32091612 0.00432829  0.05656634  -0.03537489 228 LEU   A HD21 
1946 H  HD22 . LEU   A 116 ? 0.49383658 0.11587588 0.31609675 0.00659333  0.05892988  -0.03059723 228 LEU   A HD22 
1947 H  HD23 . LEU   A 116 ? 0.49487686 0.11431971 0.31513786 0.00380598  0.05445144  -0.03193664 228 LEU   A HD23 
1948 N  N    . ASN   A 117 ? 0.52335268 0.06887310 0.38311338 -0.00467608 0.10561711  -0.03103712 229 ASN   A N    
1949 C  CA   . ASN   A 117 ? 0.53014642 0.01480469 0.38668114 0.02668353  0.06126963  -0.04839934 229 ASN   A CA   
1950 C  C    . ASN   A 117 ? 0.44776681 0.11196532 0.39480752 -0.00063673 0.04753689  -0.00163015 229 ASN   A C    
1951 O  O    . ASN   A 117 ? 0.48409215 0.10473775 0.48585474 0.01185578  0.07549681  0.00979041  229 ASN   A O    
1952 C  CB   . ASN   A 117 ? 0.58125043 0.01550211 0.51859492 0.07260416  0.04999579  0.00576914  229 ASN   A CB   
1953 C  CG   . ASN   A 117 ? 0.68656892 0.07632907 0.55585593 0.03272531  -0.00287298 0.00165708  229 ASN   A CG   
1954 O  OD1  . ASN   A 117 ? 0.74281442 0.12481903 0.64587510 -0.02313962 -0.07926667 -0.14091630 229 ASN   A OD1  
1955 N  ND2  . ASN   A 117 ? 0.80170220 0.19712576 0.64516276 0.08462760  0.03378631  -0.08727217 229 ASN   A ND2  
1956 H  H    . ASN   A 117 ? 0.51492429 0.07395686 0.35624936 0.00601861  0.08404814  -0.03673523 229 ASN   A H    
1957 H  HA   . ASN   A 117 ? 0.52076763 0.01322799 0.39757743 0.02727483  0.06293863  -0.03101681 229 ASN   A HA   
1958 H  HB2  . ASN   A 117 ? 0.57646400 0.01297383 0.49053192 0.06041776  0.04634491  -0.00579609 229 ASN   A HB2  
1959 H  HB3  . ASN   A 117 ? 0.58149278 0.01266351 0.48892471 0.05929269  0.04645532  -0.00543855 229 ASN   A HB3  
1960 H  HD21 . ASN   A 117 ? 0.77433407 0.16099188 0.62120342 0.05888453  0.03557827  -0.06361145 229 ASN   A HD21 
1961 H  HD22 . ASN   A 117 ? 0.76918226 0.15895854 0.62586051 0.06898244  0.03155478  -0.05507033 229 ASN   A HD22 
1962 N  N    . GLU   A 118 ? 0.47457436 0.09769623 0.34156656 -0.00020837 0.05104871  0.00378688  230 GLU   A N    
1963 C  CA   . GLU   A 118 ? 0.48048195 0.08657753 0.34678569 -0.01064701 0.03154560  -0.01516937 230 GLU   A CA   
1964 C  C    . GLU   A 118 ? 0.42629600 0.09756607 0.28256148 -0.02101373 0.03270032  -0.01105724 230 GLU   A C    
1965 O  O    . GLU   A 118 ? 0.44843787 0.17187476 0.25670922 -0.02067304 0.04601385  0.01813586  230 GLU   A O    
1966 C  CB   . GLU   A 118 ? 0.49933594 0.00965046 0.42243609 -0.01567296 -0.00247576 -0.02367735 230 GLU   A CB   
1967 C  CG   . GLU   A 118 ? 0.58516181 0.02141213 0.46752957 0.00300491  -0.01136673 -0.05087458 230 GLU   A CG   
1968 C  CD   . GLU   A 118 ? 0.62465376 0.13793574 0.42870939 -0.01755474 -0.01745762 -0.08683822 230 GLU   A CD   
1969 O  OE1  . GLU   A 118 ? 0.59706318 0.15614939 0.35498384 -0.05668859 -0.01220348 -0.06316253 230 GLU   A OE1  
1970 O  OE2  . GLU   A 118 ? 0.61135036 0.16787352 0.44665316 -0.08754361 0.05591068  -0.10630392 230 GLU   A OE2  
1971 H  H    . GLU   A 118 ? 0.47153866 0.09680926 0.35225722 -0.00157350 0.04787562  -0.00246674 230 GLU   A H    
1972 H  HA   . GLU   A 118 ? 0.47482949 0.07832624 0.34740302 -0.01124441 0.03025789  -0.01150192 230 GLU   A HA   
1973 H  HB2  . GLU   A 118 ? 0.50827277 0.02793644 0.41492385 -0.01116558 0.00432055  -0.02532943 230 GLU   A HB2  
1974 H  HB3  . GLU   A 118 ? 0.50866300 0.02696488 0.41216576 -0.01247548 0.00509042  -0.02310086 230 GLU   A HB3  
1975 H  HG2  . GLU   A 118 ? 0.57489204 0.04084431 0.45079345 -0.00483521 -0.01046261 -0.05029048 230 GLU   A HG2  
1976 H  HG3  . GLU   A 118 ? 0.57338470 0.04229226 0.45171896 -0.00355730 -0.01054585 -0.05140213 230 GLU   A HG3  
1977 N  N    . ILE   A 119 ? 0.42044407 0.01086314 0.28794649 -0.00077084 0.03584304  -0.02291428 231 ILE   A N    
1978 C  CA   . ILE   A 119 ? 0.42898703 0.02697177 0.29983494 0.00023882  0.03672316  -0.04408064 231 ILE   A CA   
1979 C  C    . ILE   A 119 ? 0.42704645 0.07647465 0.29720044 0.01025211  0.04236925  -0.04734680 231 ILE   A C    
1980 O  O    . ILE   A 119 ? 0.42775002 0.17852968 0.30352306 0.03062433  0.01461857  -0.00904706 231 ILE   A O    
1981 C  CB   . ILE   A 119 ? 0.43087482 0.04820569 0.29403609 -0.00592754 0.02742109  -0.04498451 231 ILE   A CB   
1982 C  CG1  . ILE   A 119 ? 0.46304980 0.04640201 0.32996905 0.02730869  0.04985783  -0.08017117 231 ILE   A CG1  
1983 C  CG2  . ILE   A 119 ? 0.47284830 0.07348870 0.29458800 0.01273818  0.00585910  -0.06423806 231 ILE   A CG2  
1984 C  CD1  . ILE   A 119 ? 0.50328577 0.02730344 0.34510261 0.04788644  0.07011318  -0.06658748 231 ILE   A CD1  
1985 H  H    . ILE   A 119 ? 0.42366043 0.02502078 0.28675076 -0.00680335 0.03738166  -0.01918015 231 ILE   A H    
1986 H  HA   . ILE   A 119 ? 0.42792013 0.03651445 0.29721588 0.00013714  0.03623696  -0.03984735 231 ILE   A HA   
1987 H  HB   . ILE   A 119 ? 0.44126925 0.04535361 0.29766372 0.00390577  0.02882696  -0.05006940 231 ILE   A HB   
1988 H  HG12 . ILE   A 119 ? 0.46236226 0.04494464 0.32660556 0.02307902  0.05007733  -0.07536742 231 ILE   A HG12 
1989 H  HG13 . ILE   A 119 ? 0.46159533 0.03907307 0.32393062 0.02417698  0.04911138  -0.07253430 231 ILE   A HG13 
1990 H  HG21 . ILE   A 119 ? 0.46363112 0.06660797 0.29806107 0.00846897  0.01048407  -0.05832748 231 ILE   A HG21 
1991 H  HG22 . ILE   A 119 ? 0.46244457 0.06896398 0.29761931 0.00789216  0.01204937  -0.06068685 231 ILE   A HG22 
1992 H  HG23 . ILE   A 119 ? 0.46353781 0.06729479 0.29611155 0.00843606  0.01235714  -0.05852580 231 ILE   A HG23 
1993 H  HD11 . ILE   A 119 ? 0.49248701 0.02674749 0.33760598 0.04372247  0.06447238  -0.06713544 231 ILE   A HD11 
1994 H  HD12 . ILE   A 119 ? 0.49588054 0.02786672 0.34005719 0.04374139  0.06648317  -0.06971030 231 ILE   A HD12 
1995 H  HD13 . ILE   A 119 ? 0.49279791 0.02823898 0.33793661 0.04282167  0.06463284  -0.07085165 231 ILE   A HD13 
1996 N  N    . SER   A 120 ? 0.45477253 0.06407114 0.31073478 -0.00184937 0.04958484  0.01089906  232 SER   A N    
1997 C  CA   . SER   A 120 ? 0.43131775 0.07225667 0.33660859 0.00144552  0.04985779  0.00186021  232 SER   A CA   
1998 C  C    . SER   A 120 ? 0.40026760 0.09661485 0.35337985 0.01043756  0.04324092  -0.01274971 232 SER   A C    
1999 O  O    . SER   A 120 ? 0.38618580 0.13276488 0.36524707 0.01112113  0.02467459  -0.03058949 232 SER   A O    
2000 C  CB   . SER   A 120 ? 0.44059092 0.00943104 0.38157535 0.01225293  0.04977247  -0.03048956 232 SER   A CB   
2001 O  OG   . SER   A 120 ? 0.51895398 0.01243603 0.43195671 0.00406865  -0.03511791 -0.05096801 232 SER   A OG   
2002 H  H    . SER   A 120 ? 0.44220740 0.06657450 0.30817372 0.00282736  0.04551533  -0.00166968 232 SER   A H    
2003 H  HA   . SER   A 120 ? 0.43240482 0.05936481 0.34093541 0.00544406  0.04773718  -0.00400283 232 SER   A HA   
2004 H  HB2  . SER   A 120 ? 0.45265549 0.00872615 0.38234073 0.01014158  0.03442748  -0.02763589 232 SER   A HB2  
2005 H  HB3  . SER   A 120 ? 0.44837061 0.00893597 0.38349503 0.01082181  0.03450429  -0.02874685 232 SER   A HB3  
2006 H  HG   . SER   A 120 ? 0.33033237 0.33033237 0.33033237 0.00000000  0.00000000  0.00000000  232 SER   A HG   
2007 N  N    . LYS   A 121 ? 0.38226840 0.10270512 0.30963069 0.02289220  0.00921872  -0.02671931 233 LYS   A N    
2008 C  CA   . LYS   A 121 ? 0.40570989 0.12628348 0.29688668 -0.00334841 -0.00220978 -0.04602814 233 LYS   A CA   
2009 C  C    . LYS   A 121 ? 0.34837863 0.14198165 0.30755258 -0.00288440 0.00048474  -0.01700475 233 LYS   A C    
2010 O  O    . LYS   A 121 ? 0.36271775 0.05242044 0.34386957 0.02081737  -0.00710827 -0.04006224 233 LYS   A O    
2011 C  CB   . LYS   A 121 ? 0.44380403 0.26656279 0.30782145 -0.04544700 0.00779884  -0.04379985 233 LYS   A CB   
2012 C  CG   . LYS   A 121 ? 0.47922131 0.35595939 0.39287254 -0.04151575 0.02559422  -0.06305348 233 LYS   A CG   
2013 C  CD   . LYS   A 121 ? 0.59338361 0.45174789 0.45681998 -0.01255776 0.05684233  -0.04183544 233 LYS   A CD   
2014 C  CE   . LYS   A 121 ? 0.61398453 0.62217087 0.59704494 0.02934270  0.11468570  -0.07748853 233 LYS   A CE   
2015 N  NZ   . LYS   A 121 ? 0.62727249 0.69534957 0.72513801 0.04536539  0.11584458  -0.09647256 233 LYS   A NZ   
2016 H  H    . LYS   A 121 ? 0.38643673 0.10622614 0.31472105 0.01507786  0.01425950  -0.02673138 233 LYS   A H    
2017 H  HA   . LYS   A 121 ? 0.39793184 0.14084536 0.30425990 -0.00276399 0.00283937  -0.03660048 233 LYS   A HA   
2018 H  HB2  . LYS   A 121 ? 0.44221559 0.24278536 0.31805596 -0.03432784 0.01014915  -0.04660373 233 LYS   A HB2  
2019 H  HB3  . LYS   A 121 ? 0.44089723 0.24598694 0.31834084 -0.03171948 0.00999055  -0.04452004 233 LYS   A HB3  
2020 H  HG2  . LYS   A 121 ? 0.48214781 0.34438774 0.37942725 -0.03799461 0.02775382  -0.05423754 233 LYS   A HG2  
2021 H  HG3  . LYS   A 121 ? 0.48064473 0.34363750 0.37923110 -0.03714166 0.02745009  -0.05360495 233 LYS   A HG3  
2022 H  HD2  . LYS   A 121 ? 0.57536370 0.44638905 0.45639378 -0.01271411 0.06278667  -0.05043266 233 LYS   A HD2  
2023 H  HD3  . LYS   A 121 ? 0.57083756 0.44903344 0.45687392 -0.00760555 0.06223746  -0.04794140 233 LYS   A HD3  
2024 H  HE2  . LYS   A 121 ? 0.61485916 0.60265243 0.58309650 0.03027112  0.10631776  -0.06811118 233 LYS   A HE2  
2025 H  HE3  . LYS   A 121 ? 0.61274570 0.60030603 0.58883768 0.02511209  0.10566242  -0.07729664 233 LYS   A HE3  
2026 H  HZ1  . LYS   A 121 ? 0.62353396 0.68033242 0.69756371 0.03947285  0.11611730  -0.09768376 233 LYS   A HZ1  
2027 H  HZ2  . LYS   A 121 ? 0.62622708 0.68235111 0.69307137 0.04435080  0.11649704  -0.08891799 233 LYS   A HZ2  
2028 H  HZ3  . LYS   A 121 ? 0.62666708 0.67749864 0.70203650 0.03895618  0.11059371  -0.08719994 233 LYS   A HZ3  
2029 N  N    . LEU   A 122 ? 0.35557351 0.11645380 0.31452397 0.00165750  0.00903112  -0.01915995 234 LEU   A N    
2030 C  CA   . LEU   A 122 ? 0.35155937 0.12759350 0.31407440 0.02812106  0.01432157  -0.03334787 234 LEU   A CA   
2031 C  C    . LEU   A 122 ? 0.36175555 0.15083094 0.37858340 0.00715485  -0.00184251 -0.02536656 234 LEU   A C    
2032 O  O    . LEU   A 122 ? 0.38084725 0.06574129 0.47373626 0.00439113  0.02715626  -0.04216341 234 LEU   A O    
2033 C  CB   . LEU   A 122 ? 0.38657132 0.13504814 0.31321120 0.04257119  0.00938413  -0.03396613 234 LEU   A CB   
2034 C  CG   . LEU   A 122 ? 0.40967724 0.14372511 0.30680162 0.01366636  0.02734864  -0.03065942 234 LEU   A CG   
2035 C  CD1  . LEU   A 122 ? 0.42076695 0.14709790 0.34503222 -0.00922559 0.03878158  -0.02300619 234 LEU   A CD1  
2036 C  CD2  . LEU   A 122 ? 0.42575538 0.23311147 0.33403492 0.03373101  0.05094721  -0.01791460 234 LEU   A CD2  
2037 H  H    . LEU   A 122 ? 0.35557780 0.12319282 0.31367168 0.00541940  0.00855572  -0.02146255 234 LEU   A H    
2038 H  HA   . LEU   A 122 ? 0.35614395 0.12960099 0.32426050 0.02261307  0.00984526  -0.02908491 234 LEU   A HA   
2039 H  HB2  . LEU   A 122 ? 0.38557339 0.13879544 0.31248268 0.03667405  0.01322425  -0.03395471 234 LEU   A HB2  
2040 H  HB3  . LEU   A 122 ? 0.38265419 0.13620755 0.31272110 0.03510758  0.01292817  -0.03363445 234 LEU   A HB3  
2041 H  HG   . LEU   A 122 ? 0.40806562 0.14830391 0.31841910 0.01533797  0.03010037  -0.02747846 234 LEU   A HG   
2042 H  HD11 . LEU   A 122 ? 0.41652021 0.14747314 0.33860755 -0.00268139 0.03576858  -0.02593692 234 LEU   A HD11 
2043 H  HD12 . LEU   A 122 ? 0.41724443 0.14884742 0.33848011 -0.00319102 0.03482407  -0.02219099 234 LEU   A HD12 
2044 H  HD13 . LEU   A 122 ? 0.41593611 0.14511390 0.33599901 -0.00429099 0.03579356  -0.02440422 234 LEU   A HD13 
2045 H  HD21 . LEU   A 122 ? 0.42444155 0.20919083 0.32729295 0.03000620  0.04518302  -0.01905494 234 LEU   A HD21 
2046 H  HD22 . LEU   A 122 ? 0.42606512 0.21507266 0.32733995 0.03489495  0.04437155  -0.01984697 234 LEU   A HD22 
2047 H  HD23 . LEU   A 122 ? 0.42335600 0.21274129 0.33103991 0.02906402  0.04360954  -0.01520255 234 LEU   A HD23 
2048 N  N    . GLY   A 123 ? 0.36142817 0.08252851 0.37512463 -0.01140173 -0.01473716 -0.04526867 235 GLY   A N    
2049 C  CA   . GLY   A 123 ? 0.35564083 0.08553921 0.36612177 -0.00867898 0.01417485  -0.05876046 235 GLY   A CA   
2050 C  C    . GLY   A 123 ? 0.35471439 0.10307065 0.38281563 0.02317302  -0.00083489 -0.05832087 235 GLY   A C    
2051 O  O    . GLY   A 123 ? 0.34038258 0.10837725 0.41562614 0.00046276  -0.00834758 -0.05241887 235 GLY   A O    
2052 H  H    . GLY   A 123 ? 0.35743737 0.09576815 0.37267050 -0.00724641 -0.00699789 -0.04402950 235 GLY   A H    
2053 H  HA2  . GLY   A 123 ? 0.35533813 0.08834902 0.37239498 -0.00309086 0.00689418  -0.05544769 235 GLY   A HA2  
2054 H  HA3  . GLY   A 123 ? 0.35730386 0.08851153 0.37311816 -0.00360809 0.00716779  -0.05665669 235 GLY   A HA3  
2055 N  N    . ILE   A 124 ? 0.36108646 0.10778902 0.36355722 -0.00028218 0.00824642  -0.03085709 236 ILE   A N    
2056 C  CA   . ILE   A 124 ? 0.39029965 0.11722208 0.35908467 -0.00734699 0.01922214  -0.04884482 236 ILE   A CA   
2057 C  C    . ILE   A 124 ? 0.35613209 0.12401114 0.34968513 0.00716524  0.01126923  -0.01886128 236 ILE   A C    
2058 O  O    . ILE   A 124 ? 0.37830746 0.11883725 0.37568167 0.03320189  0.03725693  -0.04712221 236 ILE   A O    
2059 C  CB   . ILE   A 124 ? 0.38663936 0.15733510 0.37580889 -0.04413871 0.02737027  -0.04011933 236 ILE   A CB   
2060 C  CG1  . ILE   A 124 ? 0.43661144 0.15473533 0.42020527 -0.03183026 0.01472048  -0.01882578 236 ILE   A CG1  
2061 C  CG2  . ILE   A 124 ? 0.43459919 0.15081747 0.38914371 -0.06414127 0.03624074  -0.02228228 236 ILE   A CG2  
2062 C  CD1  . ILE   A 124 ? 0.50554907 0.20341988 0.42592856 -0.04111039 -0.00185903 -0.01407015 236 ILE   A CD1  
2063 H  H    . ILE   A 124 ? 0.36384207 0.10806381 0.36629376 0.00279826  0.00954822  -0.04018580 236 ILE   A H    
2064 H  HA   . ILE   A 124 ? 0.38255858 0.12111267 0.36231238 -0.00795738 0.01580374  -0.03906475 236 ILE   A HA   
2065 H  HB   . ILE   A 124 ? 0.39450538 0.14887793 0.38038033 -0.03880070 0.02866782  -0.03495349 236 ILE   A HB   
2066 H  HG12 . ILE   A 124 ? 0.43734092 0.16452806 0.41282597 -0.03497777 0.01459202  -0.02167623 236 ILE   A HG12 
2067 H  HG13 . ILE   A 124 ? 0.43521786 0.16392308 0.41468588 -0.03446938 0.01592073  -0.02082713 236 ILE   A HG13 
2068 H  HG21 . ILE   A 124 ? 0.42528954 0.15330291 0.38723338 -0.05910023 0.03492954  -0.02754633 236 ILE   A HG21 
2069 H  HG22 . ILE   A 124 ? 0.42648175 0.15232268 0.38649294 -0.05841460 0.03268373  -0.02680773 236 ILE   A HG22 
2070 H  HG23 . ILE   A 124 ? 0.42318952 0.14843036 0.38560709 -0.05914025 0.03419459  -0.02587509 236 ILE   A HG23 
2071 H  HD11 . ILE   A 124 ? 0.49147621 0.19179940 0.42661121 -0.03612310 -0.00084496 -0.01471617 236 ILE   A HD11 
2072 H  HD12 . ILE   A 124 ? 0.48803675 0.19848259 0.42482436 -0.03493498 0.00189629  -0.01556458 236 ILE   A HD12 
2073 H  HD13 . ILE   A 124 ? 0.48703271 0.19146457 0.42522278 -0.03700697 0.00268487  -0.01425177 236 ILE   A HD13 
2074 N  N    A SER   A 125 ? 0.37050733 0.05224396 0.35263428 -0.00542799 0.00251335  -0.01424697 237 SER   A N    
2075 N  N    B SER   A 125 ? 0.38852084 0.07574743 0.37476209 -0.00165685 0.01145984  -0.01302072 237 SER   A N    
2076 C  CA   A SER   A 125 ? 0.36966127 0.04324351 0.34924629 0.00605355  -0.01293555 -0.02447912 237 SER   A CA   
2077 C  CA   B SER   A 125 ? 0.41289088 0.07935800 0.39077041 -0.01026527 0.00258263  -0.01580688 237 SER   A CA   
2078 C  C    A SER   A 125 ? 0.36930257 0.07892679 0.34892693 -0.00442144 0.00681441  -0.03370236 237 SER   A C    
2079 C  C    B SER   A 125 ? 0.39789456 0.08949269 0.38127178 -0.02309243 0.00285777  -0.02432082 237 SER   A C    
2080 O  O    A SER   A 125 ? 0.31691107 0.09985047 0.35133308 0.01442597  0.00335169  -0.05677526 237 SER   A O    
2081 O  O    B SER   A 125 ? 0.35392740 0.04202320 0.38122645 -0.06414835 -0.02394167 -0.05052445 237 SER   A O    
2082 C  CB   A SER   A 125 ? 0.37042379 0.01055723 0.35736603 0.01057342  -0.03304467 -0.03788441 237 SER   A CB   
2083 C  CB   B SER   A 125 ? 0.44985223 0.10724690 0.42119163 -0.00057403 -0.00711022 -0.00422806 237 SER   A CB   
2084 O  OG   A SER   A 125 ? 0.36033106 0.03306309 0.33709991 0.00595222  -0.05570294 -0.03096680 237 SER   A OG   
2085 O  OG   B SER   A 125 ? 0.47725046 0.23844846 0.42283604 0.01039285  0.01144573  -0.05862209 237 SER   A OG   
2086 H  H    A SER   A 125 ? 0.36684695 0.06484284 0.35165012 -0.00110357 0.00220376  -0.01710614 237 SER   A H    
2087 H  H    B SER   A 125 ? 0.38593930 0.08750575 0.37265170 -0.00139809 0.01032428  -0.01458707 237 SER   A H    
2088 H  HA   A SER   A 125 ? 0.37036222 0.04257635 0.35134453 0.00378626  -0.01010451 -0.02656839 237 SER   A HA   
2089 H  HA   B SER   A 125 ? 0.41099939 0.08454802 0.39002275 -0.00881806 0.00313036  -0.01538174 237 SER   A HA   
2090 H  HB2  A SER   A 125 ? 0.36834902 0.00940297 0.35145217 0.00715098  -0.03324805 -0.03231023 237 SER   A HB2  
2091 H  HB2  B SER   A 125 ? 0.44911605 0.12200767 0.41511336 -0.00091819 -0.00136230 -0.01458732 237 SER   A HB2  
2092 H  HB3  A SER   A 125 ? 0.36678326 0.01207639 0.34965017 0.01010336  -0.03233996 -0.03639769 237 SER   A HB3  
2093 H  HB3  B SER   A 125 ? 0.44566873 0.11723143 0.41314819 -0.00315856 0.00019402  -0.01274368 237 SER   A HB3  
2094 H  HG   A SER   A 125 ? 0.25030130 0.25030130 0.25030130 0.00000000  0.00000000  0.00000000  237 SER   A HG   
2095 H  HG   B SER   A 125 ? 0.42206603 0.42206603 0.42206603 0.00000000  0.00000000  0.00000000  237 SER   A HG   
2096 N  N    . GLY   A 126 ? 0.38814971 0.08600926 0.38941023 -0.01200252 0.03579484  -0.03757428 238 GLY   A N    
2097 C  CA   . GLY   A 126 ? 0.42460606 0.10656010 0.38956243 0.01153360  0.02694577  -0.06534836 238 GLY   A CA   
2098 C  C    . GLY   A 126 ? 0.37450555 0.15398513 0.39557990 0.01906552  0.01477537  -0.02397542 238 GLY   A C    
2099 O  O    . GLY   A 126 ? 0.39887032 0.06492709 0.41991854 0.01721097  0.02364865  -0.03907687 238 GLY   A O    
2100 H  H    . GLY   A 126 ? 0.38930380 0.08750681 0.37848926 -0.00930954 0.02581072  -0.03703913 238 GLY   A H    
2101 H  HA2  . GLY   A 126 ? 0.41093576 0.11637390 0.39468652 0.00712558  0.02635051  -0.05313943 238 GLY   A HA2  
2102 H  HA3  . GLY   A 126 ? 0.41170746 0.11237646 0.39232406 0.00947647  0.02270442  -0.05253576 238 GLY   A HA3  
2103 N  N    . ASP   A 127 ? 0.36449695 0.11663971 0.40003514 0.00628298  0.00903673  0.00174027  239 ASP   A N    
2104 C  CA   . ASP   A 127 ? 0.38547301 0.18591911 0.40004069 0.01273498  -0.02249444 -0.04549900 239 ASP   A CA   
2105 C  C    . ASP   A 127 ? 0.39847597 0.18847252 0.37372354 0.03311103  0.00205840  -0.04340399 239 ASP   A C    
2106 O  O    . ASP   A 127 ? 0.42922813 0.18677947 0.37178558 0.03485174  0.02788700  -0.02821438 239 ASP   A O    
2107 C  CB   . ASP   A 127 ? 0.43471533 0.17862156 0.41285539 0.03732008  -0.01230966 -0.05969194 239 ASP   A CB   
2108 C  CG   . ASP   A 127 ? 0.47727150 0.22166339 0.46745548 0.00283981  -0.02988344 -0.02386891 239 ASP   A CG   
2109 O  OD1  . ASP   A 127 ? 0.53294909 0.18015370 0.53734046 0.04282593  0.01349780  0.00951025  239 ASP   A OD1  
2110 O  OD2  . ASP   A 127 ? 0.46992362 0.10277580 0.56657916 -0.05293283 -0.03752053 -0.06410602 239 ASP   A OD2  
2111 H  H    . ASP   A 127 ? 0.36607635 0.13680699 0.39900041 0.00880468  0.00629611  -0.01243904 239 ASP   A H    
2112 H  HA   . ASP   A 127 ? 0.39251670 0.17301872 0.40065092 0.02010336  -0.01202351 -0.03852414 239 ASP   A HA   
2113 H  HB2  . ASP   A 127 ? 0.43333286 0.18710642 0.41891024 0.02682814  -0.01756150 -0.05082492 239 ASP   A HB2  
2114 H  HB3  . ASP   A 127 ? 0.43222290 0.18664446 0.41835988 0.02616990  -0.01726188 -0.05085381 239 ASP   A HB3  
2115 N  N    . ILE   A 128 ? 0.41055840 0.20161234 0.34566778 0.03673891  -0.00074676 -0.02596880 240 ILE   A N    
2116 C  CA   . ILE   A 128 ? 0.44182563 0.18196392 0.36117360 -0.01996654 0.00143869  0.00115150  240 ILE   A CA   
2117 C  C    . ILE   A 128 ? 0.44517303 0.07268605 0.36248577 -0.02399128 0.01761845  -0.02693759 240 ILE   A C    
2118 O  O    . ILE   A 128 ? 0.47808886 0.11702411 0.36171716 -0.01772130 0.03573266  -0.00294803 240 ILE   A O    
2119 C  CB   . ILE   A 128 ? 0.42734212 0.16029072 0.36399657 -0.02131921 0.02247684  -0.00016644 240 ILE   A CB   
2120 C  CG1  . ILE   A 128 ? 0.42592573 0.14196979 0.36559892 -0.03050213 0.04037239  -0.01121237 240 ILE   A CG1  
2121 C  CG2  . ILE   A 128 ? 0.42793319 0.14721398 0.38033596 -0.01909292 -0.00217016 0.01288670  240 ILE   A CG2  
2122 C  CD1  . ILE   A 128 ? 0.48348054 0.15316851 0.38966337 -0.04291631 0.06291631  -0.00842305 240 ILE   A CD1  
2123 H  H    . ILE   A 128 ? 0.41365424 0.19260123 0.35040802 0.02476248  0.00223800  -0.02583166 240 ILE   A H    
2124 H  HA   . ILE   A 128 ? 0.43575406 0.16332349 0.36618140 -0.01139172 0.00694087  -0.00512897 240 ILE   A HA   
2125 H  HB   . ILE   A 128 ? 0.42985955 0.15815307 0.36645842 -0.02236630 0.01924670  -0.00027732 240 ILE   A HB   
2126 H  HG12 . ILE   A 128 ? 0.43424457 0.14730918 0.36898461 -0.03001019 0.03997001  -0.00779838 240 ILE   A HG12 
2127 H  HG13 . ILE   A 128 ? 0.43148375 0.14707412 0.36968821 -0.03047026 0.04123536  -0.00836285 240 ILE   A HG13 
2128 H  HG21 . ILE   A 128 ? 0.42770565 0.14865977 0.37668961 -0.02024839 0.00388770  0.00977536  240 ILE   A HG21 
2129 H  HG22 . ILE   A 128 ? 0.42711756 0.14998531 0.37539461 -0.01798354 0.00220712  0.00999764  240 ILE   A HG22 
2130 H  HG23 . ILE   A 128 ? 0.42758375 0.15083662 0.37884736 -0.01963658 0.00304550  0.01100719  240 ILE   A HG23 
2131 H  HD11 . ILE   A 128 ? 0.47018611 0.15167876 0.38686568 -0.04046462 0.05903369  -0.01039081 240 ILE   A HD11 
2132 H  HD12 . ILE   A 128 ? 0.46880168 0.15126729 0.38561335 -0.03973006 0.05653273  -0.00787906 240 ILE   A HD12 
2133 H  HD13 . ILE   A 128 ? 0.47309154 0.15077506 0.38400608 -0.03884121 0.05582593  -0.00857602 240 ILE   A HD13 
2134 N  N    . ASP   A 129 ? 0.46116987 0.12407853 0.34501666 -0.04470642 0.00285592  -0.06973498 241 ASP   A N    
2135 C  CA   . ASP   A 129 ? 0.47768480 0.15795407 0.40822092 -0.01276678 -0.00004076 -0.03937439 241 ASP   A CA   
2136 C  C    . ASP   A 129 ? 0.46605217 0.14787748 0.35061121 0.00051645  0.00829015  -0.02366746 241 ASP   A C    
2137 O  O    . ASP   A 129 ? 0.45543092 0.14005154 0.38303107 0.05336050  0.01993687  -0.03385379 241 ASP   A O    
2138 C  CB   . ASP   A 129 ? 0.58596426 0.17658646 0.45510355 -0.06700144 -0.02405797 -0.05338331 241 ASP   A CB   
2139 C  CG   . ASP   A 129 ? 0.73528624 0.20293786 0.56446755 -0.07000967 -0.00371234 -0.01477544 241 ASP   A CG   
2140 O  OD1  . ASP   A 129 ? 0.86904508 0.22086313 0.59470075 -0.12413743 -0.00066166 0.03828411  241 ASP   A OD1  
2141 O  OD2  . ASP   A 129 ? 0.90197515 0.37719342 0.58586878 -0.15271971 -0.04125136 -0.10121351 241 ASP   A OD2  
2142 H  H    . ASP   A 129 ? 0.45914614 0.11966492 0.35372743 -0.03333767 0.00857949  -0.05444279 241 ASP   A H    
2143 H  HA   . ASP   A 129 ? 0.48649290 0.15183312 0.39613697 -0.02265667 -0.00242452 -0.04360993 241 ASP   A HA   
2144 H  HB2  . ASP   A 129 ? 0.58158547 0.17654850 0.46068156 -0.05430483 -0.01584080 -0.04361728 241 ASP   A HB2  
2145 H  HB3  . ASP   A 129 ? 0.58474100 0.17703424 0.45788708 -0.05670413 -0.01469841 -0.04289411 241 ASP   A HB3  
2146 N  N    . LEU   A 130 ? 0.43174049 0.15325581 0.32907617 -0.03732314 0.01165642  -0.00199246 242 LEU   A N    
2147 C  CA   . LEU   A 130 ? 0.42106116 0.15605482 0.35360932 -0.03606356 0.01958352  -0.01621717 242 LEU   A CA   
2148 C  C    . LEU   A 130 ? 0.38235113 0.20577535 0.33226606 -0.02965726 0.01732966  -0.03349675 242 LEU   A C    
2149 O  O    . LEU   A 130 ? 0.41936800 0.31341767 0.33495063 -0.00171867 0.02234296  -0.01030811 242 LEU   A O    
2150 C  CB   . LEU   A 130 ? 0.43565053 0.20817107 0.34949082 -0.02123592 0.01842648  -0.02662027 242 LEU   A CB   
2151 C  CG   . LEU   A 130 ? 0.41726348 0.21783598 0.35413066 -0.04832562 0.02385502  -0.04343008 242 LEU   A CG   
2152 C  CD1  . LEU   A 130 ? 0.41728172 0.18599847 0.31271863 -0.06739292 0.00618794  -0.02609706 242 LEU   A CD1  
2153 C  CD2  . LEU   A 130 ? 0.42646316 0.24068257 0.37542111 -0.04080069 0.01523432  -0.07190682 242 LEU   A CD2  
2154 H  H    . LEU   A 130 ? 0.43520904 0.15128425 0.33269304 -0.03104289 0.01540330  -0.00663134 242 LEU   A H    
2155 H  HA   . LEU   A 130 ? 0.41796216 0.17255738 0.34539872 -0.03209795 0.01774427  -0.01832893 242 LEU   A HA   
2156 H  HB2  . LEU   A 130 ? 0.42967874 0.19870155 0.35121927 -0.02874803 0.01933601  -0.02720825 242 LEU   A HB2  
2157 H  HB3  . LEU   A 130 ? 0.43234909 0.19912538 0.35255882 -0.02799940 0.01808174  -0.02781228 242 LEU   A HB3  
2158 H  HG   . LEU   A 130 ? 0.42220864 0.21425122 0.34950870 -0.04718222 0.01969973  -0.04220294 242 LEU   A HG   
2159 H  HD11 . LEU   A 130 ? 0.41685471 0.19135749 0.31749657 -0.06229479 0.00999825  -0.03154970 242 LEU   A HD11 
2160 H  HD12 . LEU   A 130 ? 0.41693482 0.18762146 0.32104662 -0.06316817 0.01003628  -0.03141694 242 LEU   A HD12 
2161 H  HD13 . LEU   A 130 ? 0.41627711 0.19172239 0.32122356 -0.06213836 0.00984305  -0.03060773 242 LEU   A HD13 
2162 H  HD21 . LEU   A 130 ? 0.42682278 0.23572601 0.37066495 -0.04144704 0.01591226  -0.06441708 242 LEU   A HD21 
2163 H  HD22 . LEU   A 130 ? 0.42583835 0.23577125 0.37028253 -0.04277734 0.01772118  -0.06472797 242 LEU   A HD22 
2164 H  HD23 . LEU   A 130 ? 0.42493910 0.23839623 0.36995414 -0.04175305 0.01718025  -0.06413142 242 LEU   A HD23 
2165 N  N    . THR   A 131 ? 0.33381623 0.20554888 0.34290650 -0.01470032 0.01147395  -0.01570156 243 THR   A N    
2166 C  CA   . THR   A 131 ? 0.38493413 0.18941030 0.33245289 -0.00559905 0.02121489  -0.03247295 243 THR   A CA   
2167 C  C    . THR   A 131 ? 0.35911691 0.20075475 0.34017104 -0.01977903 0.02171448  -0.04797867 243 THR   A C    
2168 O  O    . THR   A 131 ? 0.36634552 0.22578815 0.40520692 0.00476265  -0.01216931 -0.02932723 243 THR   A O    
2169 C  CB   . THR   A 131 ? 0.46165895 0.23557840 0.34596556 0.01276132  0.01464205  -0.05207197 243 THR   A CB   
2170 O  OG1  . THR   A 131 ? 0.50724357 0.21449804 0.39465672 0.03023901  0.01956210  -0.04942465 243 THR   A OG1  
2171 C  CG2  . THR   A 131 ? 0.48083347 0.24165417 0.35882851 -0.00001200 0.00522243  -0.02949734 243 THR   A CG2  
2172 H  H    . THR   A 131 ? 0.34619814 0.20206091 0.33856475 -0.01697316 0.01755880  -0.02218594 243 THR   A H    
2173 H  HA   . THR   A 131 ? 0.38075918 0.20182084 0.33807817 -0.00632368 0.01873653  -0.03390601 243 THR   A HA   
2174 H  HB   . THR   A 131 ? 0.45987996 0.22513282 0.35180745 0.01268790  0.01559290  -0.04470993 243 THR   A HB   
2175 H  HG1  . THR   A 131 ? 0.37806731 0.37806731 0.37806731 0.00000000  0.00000000  0.00000000  243 THR   A HG1  
2176 H  HG21 . THR   A 131 ? 0.47517061 0.24044518 0.35834867 0.00289628  0.00683975  -0.03483415 243 THR   A HG21 
2177 H  HG22 . THR   A 131 ? 0.47571009 0.24064244 0.35658050 0.00325972  0.00715676  -0.03492637 243 THR   A HG22 
2178 H  HG23 . THR   A 131 ? 0.47451773 0.24351823 0.35681236 0.00248331  0.00722580  -0.03386955 243 THR   A HG23 
2179 N  N    . SER   A 132 ? 0.37855783 0.14849924 0.39677817 -0.02025701 0.03127985  -0.05548029 244 SER   A N    
2180 C  CA   . SER   A 132 ? 0.39295599 0.15562488 0.36712492 0.02713404  0.01574011  -0.03438845 244 SER   A CA   
2181 C  C    . SER   A 132 ? 0.37208307 0.12034965 0.33367205 -0.01125972 0.04457892  -0.00961182 244 SER   A C    
2182 O  O    . SER   A 132 ? 0.38496605 0.19839011 0.33731011 -0.00873316 0.04194896  -0.01064736 244 SER   A O    
2183 C  CB   . SER   A 132 ? 0.44527015 0.29116955 0.38899547 -0.00761573 -0.02295902 -0.02037634 244 SER   A CB   
2184 O  OG   . SER   A 132 ? 0.49455798 0.32141590 0.42398664 0.00429133  0.02927205  0.02150402  244 SER   A OG   
2185 H  H    . SER   A 132 ? 0.37882692 0.16210240 0.37921447 -0.01117556 0.02609827  -0.04801048 244 SER   A H    
2186 H  HA   . SER   A 132 ? 0.39325720 0.16553748 0.37044626 0.00880615  0.01852423  -0.03225505 244 SER   A HA   
2187 H  HB2  . SER   A 132 ? 0.43889725 0.27499464 0.39176020 -0.00057718 -0.00619327 -0.00872289 244 SER   A HB2  
2188 H  HB3  . SER   A 132 ? 0.43392530 0.26443869 0.38840413 0.00013212  -0.00653566 -0.01459113 244 SER   A HB3  
2189 H  HG   . SER   A 132 ? 0.43013376 0.43013376 0.43013376 0.00000000  0.00000000  0.00000000  244 SER   A HG   
2190 N  N    . ALA   A 133 ? 0.38952076 0.19991951 0.38407099 0.06331462  0.03275195  -0.04738012 245 ALA   A N    
2191 C  CA   . ALA   A 133 ? 0.39708763 0.12441003 0.37046567 0.05200433  0.03671184  -0.05340747 245 ALA   A CA   
2192 C  C    . ALA   A 133 ? 0.40829846 0.11873893 0.38990861 0.04258786  0.05399336  -0.06121584 245 ALA   A C    
2193 O  O    . ALA   A 133 ? 0.40957448 0.14057867 0.43990421 -0.00520921 0.07509771  -0.01668799 245 ALA   A O    
2194 C  CB   . ALA   A 133 ? 0.46984017 0.15427251 0.39186895 0.04734430  0.02134149  -0.04106579 245 ALA   A CB   
2195 H  H    . ALA   A 133 ? 0.38604343 0.16337419 0.36896896 0.04411275  0.03675884  -0.03975860 245 ALA   A H    
2196 H  HA   . ALA   A 133 ? 0.40446147 0.14075506 0.37654495 0.05147836  0.03998375  -0.05087475 245 ALA   A HA   
2197 H  HB1  . ALA   A 133 ? 0.45158172 0.15427756 0.38783655 0.04733131  0.02513917  -0.04190477 245 ALA   A HB1  
2198 H  HB2  . ALA   A 133 ? 0.45498559 0.14721791 0.39110270 0.04839450  0.02205908  -0.04249391 245 ALA   A HB2  
2199 H  HB3  . ALA   A 133 ? 0.45418590 0.14826387 0.38822553 0.05077594  0.02669124  -0.04217631 245 ALA   A HB3  
2200 N  N    . SER   A 134 ? 0.42371815 0.12419885 0.43199536 0.05245345  0.03340451  -0.05479227 246 SER   A N    
2201 C  CA   . SER   A 134 ? 0.40590030 0.12067395 0.38833582 0.05665991  0.02309637  -0.01333409 246 SER   A CA   
2202 C  C    . SER   A 134 ? 0.39718103 0.13457578 0.39048219 0.04771685  0.01399669  -0.03190085 246 SER   A C    
2203 O  O    . SER   A 134 ? 0.41328788 0.11886992 0.38341841 0.02678091  0.03267933  -0.06916232 246 SER   A O    
2204 C  CB   . SER   A 134 ? 0.45496744 0.20806451 0.39091402 -0.00747704 -0.00464890 0.00516988  246 SER   A CB   
2205 O  OG   . SER   A 134 ? 0.55791408 0.28511956 0.40389058 0.01815871  -0.02731988 0.02703250  246 SER   A OG   
2206 H  H    . SER   A 134 ? 0.41975635 0.12299059 0.41518575 0.05002033  0.03284404  -0.04626837 246 SER   A H    
2207 H  HA   . SER   A 134 ? 0.41386008 0.13677754 0.39274442 0.04579021  0.02202281  -0.02123011 246 SER   A HA   
2208 H  HB2  . SER   A 134 ? 0.45766029 0.21015427 0.39330918 0.00844704  -0.00194569 0.00625447  246 SER   A HB2  
2209 H  HB3  . SER   A 134 ? 0.45290786 0.19883440 0.39268550 0.00716926  -0.00073192 0.00646057  246 SER   A HB3  
2210 H  HG   . SER   A 134 ? 0.44257089 0.44257089 0.44257089 0.00000000  0.00000000  0.00000000  246 SER   A HG   
2211 N  N    . TYR   A 135 ? 0.40352482 0.14162008 0.42685312 0.06249617  0.02344824  -0.04211767 247 TYR   A N    
2212 C  CA   . TYR   A 135 ? 0.39463466 0.16369776 0.41245744 0.04213627  0.03344414  -0.03741608 247 TYR   A CA   
2213 C  C    . TYR   A 135 ? 0.39429298 0.16940324 0.43702334 0.00599466  -0.00943403 -0.04998863 247 TYR   A C    
2214 O  O    . TYR   A 135 ? 0.43045959 0.19471411 0.51591635 -0.00831724 -0.02296768 -0.08815181 247 TYR   A O    
2215 C  CB   . TYR   A 135 ? 0.44164059 0.12314115 0.45814353 0.05893552  0.00565605  -0.06169314 247 TYR   A CB   
2216 C  CG   . TYR   A 135 ? 0.42673671 0.09640150 0.48365659 0.08662681  -0.02347939 -0.06144124 247 TYR   A CG   
2217 C  CD1  . TYR   A 135 ? 0.41669962 0.12242946 0.56862956 0.14895393  -0.02284180 -0.08143027 247 TYR   A CD1  
2218 C  CD2  . TYR   A 135 ? 0.39256775 0.13419388 0.45443311 0.06835114  -0.02991204 -0.06569228 247 TYR   A CD2  
2219 C  CE1  . TYR   A 135 ? 0.48403436 0.22183484 0.54439849 0.10296597  -0.02708979 -0.09602152 247 TYR   A CE1  
2220 C  CE2  . TYR   A 135 ? 0.41447598 0.16072872 0.52188635 0.03824935  -0.02097210 -0.10711975 247 TYR   A CE2  
2221 C  CZ   . TYR   A 135 ? 0.47601891 0.17167026 0.54494131 0.08145273  -0.03965607 -0.09391549 247 TYR   A CZ   
2222 O  OH   . TYR   A 135 ? 0.54516578 0.37963086 0.61239111 0.04209671  0.00754853  -0.10325811 247 TYR   A OH   
2223 H  H    . TYR   A 135 ? 0.39890349 0.14436847 0.41609237 0.05543578  0.02358349  -0.03831936 247 TYR   A H    
2224 H  HA   . TYR   A 135 ? 0.40101269 0.15404309 0.42105275 0.04503271  0.02564910  -0.04492979 247 TYR   A HA   
2225 H  HB2  . TYR   A 135 ? 0.43133280 0.12741488 0.45493305 0.06198195  0.00514092  -0.05694340 247 TYR   A HB2  
2226 H  HB3  . TYR   A 135 ? 0.43117720 0.12886995 0.45474771 0.06029495  0.00560942  -0.05706712 247 TYR   A HB3  
2227 H  HD1  . TYR   A 135 ? 0.43219429 0.13849281 0.54758352 0.12652850  -0.02448280 -0.08222706 247 TYR   A HD1  
2228 H  HD2  . TYR   A 135 ? 0.40548158 0.13508470 0.47331449 0.06773956  -0.02676962 -0.07193215 247 TYR   A HD2  
2229 H  HE1  . TYR   A 135 ? 0.46863285 0.21604049 0.54932910 0.10326619  -0.02790138 -0.08716322 247 TYR   A HE1  
2230 H  HE2  . TYR   A 135 ? 0.42054057 0.15816666 0.51347762 0.05487767  -0.02525648 -0.09656218 247 TYR   A HE2  
2231 H  HH   . TYR   A 135 ? 0.56680334 0.56680334 0.56680334 0.00000000  0.00000000  0.00000000  247 TYR   A HH   
2232 N  N    . THR   A 136 ? 0.51326704 0.08164552 0.42726472 0.01792318  -0.00824709 0.03703598  248 THR   A N    
2233 C  CA   . THR   A 136 ? 0.47153348 0.10059603 0.42762133 0.04093084  -0.02421203 0.03211506  248 THR   A CA   
2234 C  C    . THR   A 136 ? 0.44624168 0.10629296 0.39512348 0.04584521  0.01246936  0.00986379  248 THR   A C    
2235 O  O    . THR   A 136 ? 0.42577624 0.12883297 0.55560219 0.00891256  0.00077085  0.00579112  248 THR   A O    
2236 C  CB   . THR   A 136 ? 0.53086072 0.29281238 0.45040980 0.04606629  -0.02699571 0.01149659  248 THR   A CB   
2237 O  OG1  . THR   A 136 ? 0.65563720 0.37460878 0.59673589 0.08895436  -0.04721518 0.02915296  248 THR   A OG1  
2238 C  CG2  . THR   A 136 ? 0.56359774 0.31334066 0.43272159 0.05821781  -0.02703775 -0.02387424 248 THR   A CG2  
2239 H  H    . THR   A 136 ? 0.49095541 0.10987087 0.43086216 0.01727330  -0.01032761 0.01821912  248 THR   A H    
2240 H  HA   . THR   A 136 ? 0.48124617 0.12011772 0.42647380 0.03916200  -0.01483517 0.02756756  248 THR   A HA   
2241 H  HB   . THR   A 136 ? 0.53496546 0.26253837 0.45730317 0.05445274  -0.02693970 0.01445824  248 THR   A HB   
2242 H  HG1  . THR   A 136 ? 0.62540495 0.62540495 0.62540495 0.00000000  0.00000000  0.00000000  248 THR   A HG1  
2243 H  HG21 . THR   A 136 ? 0.55589193 0.30863386 0.43603608 0.05529458  -0.02767439 -0.01536348 248 THR   A HG21 
2244 H  HG22 . THR   A 136 ? 0.55831224 0.30923155 0.43710363 0.05754316  -0.02702965 -0.01531301 248 THR   A HG22 
2245 H  HG23 . THR   A 136 ? 0.55681735 0.31169930 0.43778169 0.05360156  -0.02692204 -0.01640121 248 THR   A HG23 
2246 N  N    . MET   A 137 ? 0.49548149 0.10933540 0.44073746 0.06370123  0.00777286  0.04948659  249 MET   A N    
2247 C  CA   . MET   A 137 ? 0.50829196 0.21631712 0.42832613 0.03935686  -0.00083354 0.05424825  249 MET   A CA   
2248 C  C    . MET   A 137 ? 0.51061928 0.16163117 0.43041494 0.00617119  0.00320904  0.04866294  249 MET   A C    
2249 O  O    . MET   A 137 ? 0.54082310 0.36232591 0.46527025 0.06883796  0.00355372  0.12645546  249 MET   A O    
2250 C  CB   . MET   A 137 ? 0.56848115 0.17689240 0.41279504 0.05429865  0.00821617  0.08122258  249 MET   A CB   
2251 C  CG   . MET   A 137 ? 0.55049622 0.20893760 0.42705205 0.03930392  0.02310425  0.03979710  249 MET   A CG   
2252 S  SD   . MET   A 137 ? 0.61790866 0.25576657 0.46425846 0.08776706  0.01385797  -0.00283404 249 MET   A SD   
2253 C  CE   . MET   A 137 ? 0.57841516 0.10844868 0.51235354 0.05748753  0.01188305  0.10716256  249 MET   A CE   
2254 H  H    . MET   A 137 ? 0.48517388 0.12608767 0.42716283 0.05619190  0.00762109  0.04176974  249 MET   A H    
2255 H  HA   . MET   A 137 ? 0.51554239 0.18255673 0.43029818 0.03996575  0.00449283  0.05644866  249 MET   A HA   
2256 H  HB2  . MET   A 137 ? 0.55277562 0.19088745 0.41890249 0.05162420  0.00873455  0.06947133  249 MET   A HB2  
2257 H  HB3  . MET   A 137 ? 0.55679792 0.19273052 0.41949731 0.05165590  0.00951350  0.06858286  249 MET   A HB3  
2258 H  HG2  . MET   A 137 ? 0.55607587 0.20551617 0.42939377 0.04525281  0.01970852  0.04302926  249 MET   A HG2  
2259 H  HG3  . MET   A 137 ? 0.56113070 0.20855759 0.42945421 0.04855812  0.01908167  0.04254198  249 MET   A HG3  
2260 H  HE1  . MET   A 137 ? 0.57873589 0.13725188 0.49897224 0.06440526  0.00928929  0.08606313  249 MET   A HE1  
2261 H  HE2  . MET   A 137 ? 0.57830799 0.13526331 0.50216717 0.05936928  0.01106411  0.08420391  249 MET   A HE2  
2262 H  HE3  . MET   A 137 ? 0.58292603 0.13769165 0.50207555 0.06331474  0.01181199  0.08439152  249 MET   A HE3  
2263 N  N    . ILE   A 138 ? 0.54184121 0.15861349 0.40565190 0.03466385  0.06461334  0.07749695  250 ILE   A N    
2264 C  CA   . ILE   A 138 ? 0.65636051 0.26993200 0.42528525 -0.00670971 0.03253328  0.05795011  250 ILE   A CA   
2265 C  C    . ILE   A 138 ? 0.67923403 0.30497226 0.50749111 -0.05062428 0.02606027  0.08708932  250 ILE   A C    
2266 O  O    . ILE   A 138 ? 0.67043632 0.33126163 0.59543979 -0.13225093 0.00123018  0.12698759  250 ILE   A O    
2267 C  CB   . ILE   A 138 ? 0.70011884 0.25782880 0.42758036 -0.01899943 0.06676736  0.03947325  250 ILE   A CB   
2268 C  CG1  . ILE   A 138 ? 0.73514652 0.35070091 0.39166892 0.02826590  0.05056834  0.06621248  250 ILE   A CG1  
2269 C  CG2  . ILE   A 138 ? 0.78669673 0.22565493 0.40101284 -0.02788933 0.09816349  0.04638017  250 ILE   A CG2  
2270 C  CD1  . ILE   A 138 ? 0.76883900 0.41175941 0.41496313 0.08291063  0.04007308  0.08986423  250 ILE   A CD1  
2271 O  OXT  . ILE   A 138 ? 0.67575288 0.38335118 0.44141233 -0.05998012 -0.01858182 0.10885894  250 ILE   A OXT  
2272 H  H    . ILE   A 138 ? 0.55207616 0.17999510 0.41519985 0.02342529  0.04493240  0.06921244  250 ILE   A H    
2273 H  HA   . ILE   A 138 ? 0.64120358 0.24971533 0.43046090 -0.00437492 0.04276626  0.06526162  250 ILE   A HA   
2274 H  HB   . ILE   A 138 ? 0.70964760 0.26838487 0.42600194 -0.01129035 0.06426720  0.04663613  250 ILE   A HB   
2275 H  HG12 . ILE   A 138 ? 0.72676450 0.33621159 0.39901662 0.02839198  0.05105716  0.06846894  250 ILE   A HG12 
2276 H  HG13 . ILE   A 138 ? 0.73015141 0.34636828 0.40392023 0.02839822  0.05114508  0.06779657  250 ILE   A HG13 
2277 H  HG21 . ILE   A 138 ? 0.76908636 0.23775427 0.40748292 -0.02474517 0.09119235  0.04788457  250 ILE   A HG21 
2278 H  HG22 . ILE   A 138 ? 0.76642585 0.23561546 0.40245536 -0.02364414 0.09274472  0.04833258  250 ILE   A HG22 
2279 H  HG23 . ILE   A 138 ? 0.77083409 0.23631531 0.40849924 -0.02314077 0.09397992  0.04769623  250 ILE   A HG23 
2280 H  HD11 . ILE   A 138 ? 0.76041430 0.39737844 0.41151699 0.06945676  0.04415327  0.08301920  250 ILE   A HD11 
2281 H  HD12 . ILE   A 138 ? 0.76305443 0.39705396 0.41034359 0.07016635  0.04596713  0.08457427  250 ILE   A HD12 
2282 H  HD13 . ILE   A 138 ? 0.76041692 0.40674943 0.40937445 0.06961945  0.04447541  0.08510919  250 ILE   A HD13 
2283 N  N1   . A1H2S B .   ? 0.51312107 0.19928548 0.40218201 0.01576340  -0.01955729 0.02799472  301 A1H2S A N1   
2284 N  N3   . A1H2S B .   ? 0.58834159 0.34627044 0.40326846 -0.03190034 -0.01908534 0.10079666  301 A1H2S A N3   
2285 C  C4   . A1H2S B .   ? 0.48574254 0.15997161 0.30512455 0.00814809  0.00889248  0.08249605  301 A1H2S A C4   
2286 C  C5   . A1H2S B .   ? 0.51012087 0.24164790 0.35015699 0.04351946  -0.00955730 0.06997155  301 A1H2S A C5   
2287 C  C6   . A1H2S B .   ? 0.48317468 0.21901891 0.44527277 0.02640826  -0.01721357 0.06600612  301 A1H2S A C6   
2288 C  C7   . A1H2S B .   ? 0.48585099 0.17481039 0.48552409 0.06065338  -0.01259431 0.02498560  301 A1H2S A C7   
2289 C  C8   . A1H2S B .   ? 0.48114818 0.23324117 0.50180078 0.01866580  0.01517288  -0.00359315 301 A1H2S A C8   
2290 C  C10  . A1H2S B .   ? 0.49161163 0.15631704 0.47035244 0.05091825  -0.01608416 -0.02101747 301 A1H2S A C10  
2291 C  C13  . A1H2S B .   ? 0.43672851 0.09592296 0.29457945 0.02986495  0.03180432  -0.02468721 301 A1H2S A C13  
2292 C  C15  . A1H2S B .   ? 0.49562818 0.11051057 0.38768208 0.01034093  -0.00062710 -0.01614239 301 A1H2S A C15  
2293 C  C17  . A1H2S B .   ? 0.51786792 0.13771504 0.44386503 -0.03410598 -0.03214785 0.01273320  301 A1H2S A C17  
2294 C  C20  . A1H2S B .   ? 0.57966739 0.02098480 0.39050311 0.03296022  -0.02676639 -0.05257660 301 A1H2S A C20  
2295 C  C21  . A1H2S B .   ? 0.50252670 0.02071560 0.40162200 0.06007694  0.00880142  -0.05193485 301 A1H2S A C21  
2296 C  C22  . A1H2S B .   ? 0.47649175 0.16068217 0.33051810 -0.00693720 -0.01053904 -0.02223799 301 A1H2S A C22  
2297 C  C1   . A1H2S B .   ? 0.54882503 0.19529331 0.39234826 -0.02734099 -0.00004420 -0.02061993 301 A1H2S A C1   
2298 O  O1   . A1H2S B .   ? 0.50648898 0.17688906 0.37129942 -0.04528753 0.02079540  0.00773761  301 A1H2S A O1   
2299 C  C2   . A1H2S B .   ? 0.45652458 0.17419563 0.32803386 0.03498542  0.04309958  0.02214228  301 A1H2S A C2   
2300 C  C3   . A1H2S B .   ? 0.45907405 0.18122974 0.31241438 0.01016808  0.00168331  0.03756464  301 A1H2S A C3   
2301 O  O2   . A1H2S B .   ? 0.56274211 0.15027237 0.55651408 0.04105004  0.04154295  0.02448829  301 A1H2S A O2   
2302 C  C9   . A1H2S B .   ? 0.50769609 0.16670808 0.46373263 0.05172020  -0.01520959 0.00396175  301 A1H2S A C9   
2303 F  F1   . A1H2S B .   ? 0.51131755 0.18876520 0.41308647 0.04246986  0.00587010  0.00955135  301 A1H2S A F1   
2304 N  N2   . A1H2S B .   ? 0.55426306 0.34065527 0.44425642 0.05737645  -0.04284932 0.08598235  301 A1H2S A N2   
2305 O  O3   . A1H2S B .   ? 0.45322567 0.19489186 0.32499731 0.01507360  0.03590242  0.02667318  301 A1H2S A O3   
2306 C  C11  . A1H2S B .   ? 0.45745647 0.14392401 0.31992987 -0.00572725 0.01347807  -0.01630020 301 A1H2S A C11  
2307 C  C12  . A1H2S B .   ? 0.40734676 0.13653500 0.33041105 0.00540016  -0.00057170 -0.00520145 301 A1H2S A C12  
2308 O  O4   . A1H2S B .   ? 0.40080088 0.21559489 0.34049907 -0.00949314 -0.01786948 -0.02201037 301 A1H2S A O4   
2309 O  O5   . A1H2S B .   ? 0.41104192 0.14735328 0.28566501 0.02404249  0.00567871  -0.01771170 301 A1H2S A O5   
2310 C  C14  . A1H2S B .   ? 0.43988377 0.15451567 0.32105130 0.01919166  0.02624949  0.00820278  301 A1H2S A C14  
2311 N  N4   . A1H2S B .   ? 0.45633444 0.12389641 0.31307346 0.01483807  -0.00378215 0.02754452  301 A1H2S A N4   
2312 N  N5   . A1H2S B .   ? 0.46024036 0.21143256 0.37366512 0.01790574  0.00248417  -0.00788718 301 A1H2S A N5   
2313 N  N6   . A1H2S B .   ? 0.47372204 0.19338548 0.40327269 0.02179553  0.00417865  -0.02467776 301 A1H2S A N6   
2314 C  C16  . A1H2S B .   ? 0.50244582 0.08603866 0.39989677 0.01336515  -0.00844555 -0.00833590 301 A1H2S A C16  
2315 C  C18  . A1H2S B .   ? 0.55780983 0.17173010 0.53415245 -0.04015666 -0.04536779 -0.01638993 301 A1H2S A C18  
2316 C  C19  . A1H2S B .   ? 0.63415366 0.13443448 0.51055771 -0.00351568 0.00956735  -0.03263242 301 A1H2S A C19  
2317 CL CL1  . A1H2S B .   ? 0.93308854 0.60766315 0.86576545 -0.00975875 -0.05022076 -0.06481981 301 A1H2S A CL1  
2318 F  F2   . A1H2S B .   ? 0.55807376 0.13350299 0.43182233 0.01021282  -0.02572205 -0.02132913 301 A1H2S A F2   
2319 F  F3   . A1H2S B .   ? 0.53194165 0.10836474 0.41268328 0.04994071  0.02017905  -0.00992718 301 A1H2S A F3   
2320 H  H7   . A1H2S B .   ? 0.48310000 0.16280583 0.30760658 0.00928089  0.00836253  0.08103980  301 A1H2S A H7   
2321 H  H6   . A1H2S B .   ? 0.48355404 0.17320168 0.31290022 0.01356417  0.00582595  0.07196050  301 A1H2S A H6   
2322 H  H8   . A1H2S B .   ? 0.49341220 0.21940044 0.43097773 0.02747887  -0.01377903 0.05608302  301 A1H2S A H8   
2323 H  H9   . A1H2S B .   ? 0.49164912 0.18513773 0.46999577 0.04687914  -0.01054958 0.01600015  301 A1H2S A H9   
2324 H  H11  . A1H2S B .   ? 0.49849117 0.22562079 0.50991219 0.02345337  0.01678154  0.00211832  301 A1H2S A H11  
2325 H  H10  . A1H2S B .   ? 0.49303246 0.21116167 0.50511354 0.02932716  0.01198696  0.00615836  301 A1H2S A H10  
2326 H  H14  . A1H2S B .   ? 0.49614483 0.16444783 0.45890921 0.05127035  -0.01217182 -0.00834694 301 A1H2S A H14  
2327 H  H19  . A1H2S B .   ? 0.43163952 0.10096636 0.29910544 0.03158627  0.02630720  -0.02186983 301 A1H2S A H19  
2328 H  H22  . A1H2S B .   ? 0.52128220 0.13258138 0.44485694 -0.02328629 -0.02834715 0.00313314  301 A1H2S A H22  
2329 H  H24  . A1H2S B .   ? 0.47594196 0.14582381 0.33351377 0.00203798  -0.00486050 -0.01156115 301 A1H2S A H24  
2330 H  H2   . A1H2S B .   ? 0.53988612 0.19423304 0.39158863 -0.02862798 0.00227787  -0.01696692 301 A1H2S A H2   
2331 H  H3   . A1H2S B .   ? 0.53784144 0.19085358 0.38723895 -0.03068501 0.00507806  -0.01306007 301 A1H2S A H3   
2332 H  H1   . A1H2S B .   ? 0.54091966 0.19095416 0.38665482 -0.03100193 0.00493178  -0.01272303 301 A1H2S A H1   
2333 H  H4   . A1H2S B .   ? 0.46248212 0.17300883 0.33350855 0.01620311  0.03133607  0.02033569  301 A1H2S A H4   
2334 H  H5   . A1H2S B .   ? 0.46293864 0.18189448 0.31677654 0.01268292  0.01346713  0.04057779  301 A1H2S A H5   
2335 H  H13  . A1H2S B .   ? 0.51157397 0.16164812 0.47496945 0.04963601  -0.00585209 0.00546066  301 A1H2S A H13  
2336 H  H12  . A1H2S B .   ? 0.50826371 0.16237691 0.47474700 0.04900096  -0.00911014 0.00329102  301 A1H2S A H12  
2337 H  H15  . A1H2S B .   ? 0.44553310 0.14106423 0.31554660 0.00532404  0.01736469  -0.00894879 301 A1H2S A H15  
2338 H  H16  . A1H2S B .   ? 0.41424426 0.15183112 0.33165440 0.00211323  -0.00087751 -0.01026815 301 A1H2S A H16  
2339 H  H17  . A1H2S B .   ? 0.41217807 0.14374247 0.33109576 0.00605184  -0.00025066 -0.01182522 301 A1H2S A H17  
2340 H  H18  . A1H2S B .   ? 0.32363251 0.32363251 0.32363251 0.00000000  0.00000000  0.00000000  301 A1H2S A H18  
2341 H  H20  . A1H2S B .   ? 0.28157157 0.28157157 0.28157157 0.00000000  0.00000000  0.00000000  301 A1H2S A H20  
2342 H  H21  . A1H2S B .   ? 0.44497165 0.14231823 0.31865382 0.02292636  0.02501680  0.00969948  301 A1H2S A H21  
2343 H  H23  . A1H2S B .   ? 0.56537086 0.15749533 0.51216418 -0.02944370 -0.03575875 -0.01382329 301 A1H2S A H23  
2344 O  O    . HOH   C .   ? 0.48102030 0.12269814 0.47289357 0.02847173  0.00396642  0.00458994  401 HOH   A O    
2345 O  O    . HOH   C .   ? 0.72329688 0.32571501 0.34605849 0.17608505  0.01262639  -0.05920421 402 HOH   A O    
2346 O  O    . HOH   C .   ? 0.75171930 0.23576126 0.60128689 -0.19970119 0.14058843  -0.06474839 403 HOH   A O    
2347 O  O    . HOH   C .   ? 0.56889462 0.37196022 0.50080568 0.07165412  -0.08401152 0.06970149  404 HOH   A O    
2348 O  O    . HOH   C .   ? 0.65944761 0.42931655 0.47791615 0.04751191  -0.02647944 -0.13154976 405 HOH   A O    
2349 O  O    . HOH   C .   ? 0.52252245 0.29576081 0.37246898 0.07808702  0.02185187  -0.05538676 406 HOH   A O    
2350 O  O    . HOH   C .   ? 0.62036365 0.25546581 0.42535853 0.12954162  -0.00232600 0.01046192  407 HOH   A O    
2351 O  O    . HOH   C .   ? 0.55101734 0.16732964 0.41269970 0.05173885  0.04212326  -0.00158509 408 HOH   A O    
2352 O  O    . HOH   C .   ? 0.65338945 0.13711353 0.73194039 -0.00103033 0.01659507  -0.01899439 409 HOH   A O    
2353 O  O    . HOH   C .   ? 0.80018109 0.42168841 0.48041412 0.07904903  0.07782416  -0.07857663 410 HOH   A O    
2354 O  O    . HOH   C .   ? 0.46223998 0.22425722 0.43862259 0.04645757  -0.04744196 -0.05115506 411 HOH   A O    
2355 O  O    . HOH   C .   ? 0.90289247 0.27437779 0.58041799 0.18702139  0.17647776  -0.01958298 412 HOH   A O    
2356 O  O    . HOH   C .   ? 0.44746178 0.42957103 0.50576317 0.08746507  -0.04077934 0.05312122  413 HOH   A O    
2357 O  O    . HOH   C .   ? 0.39672527 0.10455959 0.38797867 -0.06501925 0.02008758  0.02335501  414 HOH   A O    
2358 O  O    . HOH   C .   ? 0.55937004 0.17428485 0.46965271 0.01626914  -0.02094516 -0.08731099 415 HOH   A O    
2359 O  O    . HOH   C .   ? 0.49799538 0.47519976 0.57279372 -0.00533540 -0.03496189 -0.11236073 416 HOH   A O    
2360 O  O    . HOH   C .   ? 0.44457421 0.21744005 0.35593957 -0.00737734 -0.00327138 0.01057884  417 HOH   A O    
2361 O  O    . HOH   C .   ? 0.53678995 0.20453256 0.47428608 0.06938364  0.00873765  0.02770739  418 HOH   A O    
2362 O  O    . HOH   C .   ? 0.64396197 0.19362086 0.82111871 0.21546569  -0.06070670 -0.03191064 419 HOH   A O    
2363 O  O    . HOH   C .   ? 0.56525606 0.38672504 0.47729906 -0.05901076 0.04930396  -0.02888026 420 HOH   A O    
2364 O  O    . HOH   C .   ? 0.53898972 0.16036053 0.44940889 0.03871321  -0.00489476 0.08786598  421 HOH   A O    
2365 O  O    . HOH   C .   ? 0.53266084 0.14513467 0.33447173 -0.06202970 0.03796034  0.02615523  422 HOH   A O    
2366 O  O    . HOH   C .   ? 0.60558599 0.15594880 0.48128855 -0.01347780 -0.10694374 -0.00716325 423 HOH   A O    
2367 O  O    . HOH   C .   ? 0.61679912 0.43630689 0.60963756 -0.07514980 0.00634247  -0.02821535 424 HOH   A O    
2368 O  O    . HOH   C .   ? 0.53275895 0.48164600 0.51936364 -0.01312044 -0.05514322 0.11061431  425 HOH   A O    
2369 O  O    . HOH   C .   ? 0.41894382 0.05576142 0.32548052 -0.02443092 0.03717358  0.01800508  426 HOH   A O    
2370 O  O    . HOH   C .   ? 0.48894030 0.48584867 0.35425436 0.11337420  0.03196242  0.02116504  427 HOH   A O    
2371 O  O    . HOH   C .   ? 0.49869382 0.25009707 0.37955320 0.05321186  0.00908012  0.01351206  428 HOH   A O    
2372 O  O    . HOH   C .   ? 0.61399561 0.69566917 0.50065190 0.14498931  0.00819317  -0.09094952 429 HOH   A O    
2373 O  O    . HOH   C .   ? 0.49257550 0.18888174 0.31190339 0.04917289  0.01514085  0.07046850  430 HOH   A O    
2374 O  O    . HOH   C .   ? 0.39228380 0.21024768 0.29125679 -0.00391755 0.00250884  0.00871200  431 HOH   A O    
2375 O  O    . HOH   C .   ? 0.41646162 0.13310601 0.28756276 -0.05062215 -0.00488904 0.01040066  432 HOH   A O    
2376 O  O    . HOH   C .   ? 0.41284418 0.43475226 0.48025632 0.06493427  -0.02680700 -0.07782209 433 HOH   A O    
2377 O  O    . HOH   C .   ? 0.71738952 0.25917259 0.55454612 -0.19079165 -0.05764639 0.07210510  434 HOH   A O    
2378 O  O    . HOH   C .   ? 0.64078605 0.47802737 0.60461020 0.00522839  -0.01198278 0.05360530  435 HOH   A O    
2379 O  O    . HOH   C .   ? 0.58359224 0.26399100 0.63718086 0.13343379  0.01357085  -0.00748113 436 HOH   A O    
2380 O  O    . HOH   C .   ? 0.52317160 0.23996279 0.56902349 -0.02015082 0.03820075  -0.10606845 437 HOH   A O    
2381 O  O    . HOH   C .   ? 0.50565678 0.27543262 0.37733752 0.02728319  -0.00092826 0.02603036  438 HOH   A O    
2382 O  O    . HOH   C .   ? 0.57392812 0.10032888 0.52582645 -0.08499175 -0.01727580 -0.00844751 439 HOH   A O    
2383 O  O    . HOH   C .   ? 0.56849462 0.20112595 0.46720165 0.00859795  0.01632276  -0.00855625 440 HOH   A O    
2384 O  O    . HOH   C .   ? 0.71218681 0.17338651 0.42412668 -0.12102728 0.00858320  -0.05679617 441 HOH   A O    
2385 O  O    . HOH   C .   ? 0.44513416 0.16858530 0.36196685 0.08602706  -0.01145232 0.03528566  442 HOH   A O    
2386 O  O    . HOH   C .   ? 0.57461363 0.17841114 0.68096203 0.05246104  0.10839212  -0.08374549 443 HOH   A O    
2387 O  O    . HOH   C .   ? 0.42364845 0.41719556 0.52634001 -0.00518332 0.05263474  -0.13283950 444 HOH   A O    
2388 O  O    . HOH   C .   ? 0.51217860 0.27044290 0.45505756 -0.06822839 -0.07210323 0.07336767  445 HOH   A O    
2389 O  O    . HOH   C .   ? 0.61853153 0.39612904 0.49752110 -0.13469976 -0.09202948 0.10412768  446 HOH   A O    
2390 O  O    . HOH   C .   ? 0.66256565 0.37140039 0.27716544 0.01718817  0.01164543  0.03155766  447 HOH   A O    
2391 O  O    . HOH   C .   ? 0.65562147 0.52461344 0.71357584 0.14311370  -0.01730746 -0.04572268 448 HOH   A O    
2392 O  O    . HOH   C .   ? 0.56347042 0.11613204 0.48728049 0.08525848  0.09221469  -0.02970580 449 HOH   A O    
2393 O  O    . HOH   C .   ? 0.52298266 0.15712330 0.35622966 -0.08178207 0.04178188  -0.01045999 450 HOH   A O    
2394 O  O    . HOH   C .   ? 0.58561879 0.19767688 0.64407527 0.12201654  -0.00731272 -0.04080172 451 HOH   A O    
2395 O  O    . HOH   C .   ? 0.39880455 0.07652434 0.30187723 -0.03550279 -0.00395121 -0.02045014 452 HOH   A O    
2396 O  O    . HOH   C .   ? 0.80369955 0.20196149 0.62060148 0.12290947  -0.21641846 -0.15703076 453 HOH   A O    
2397 O  O    . HOH   C .   ? 0.62741345 0.23361707 0.65508336 -0.14552030 0.11034191  -0.01111678 454 HOH   A O    
2398 O  O    . HOH   C .   ? 0.56141251 0.30001459 0.47638777 0.12257135  0.07229149  0.01618593  455 HOH   A O    
2399 O  O    . HOH   C .   ? 0.57378751 0.24129838 0.37816900 -0.03830960 -0.00501606 -0.08101293 456 HOH   A O    
2400 O  O    . HOH   C .   ? 0.65117842 0.25786158 0.45066798 0.04406117  0.03619342  -0.05158211 457 HOH   A O    
2401 O  O    . HOH   C .   ? 0.64159268 0.15846191 0.49156255 -0.04517050 -0.11385095 -0.09036300 458 HOH   A O    
# 
