data_7OZT
# 
_entry.id   7OZT 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.359 
_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   7OZT         pdb_00007ozt 10.2210/pdb7ozt/pdb 
WWPDB D_1292116515 ?            ?                   
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        7OZT 
_pdbx_database_status.recvd_initial_deposition_date   2021-06-28 
_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 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Pastok, M.W.'   1 0000-0002-0183-6876 
'Burbidge, O.'   2 0000-0002-5422-5542 
'Itzhaki, L.'    3 0000-0001-6504-2576 
'Endicott, J.A.' 4 0000-0003-4868-0116 
'Noble, M.E.M.'  5 ?                   
# 
_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                     
'Nanobodies restore stability to cancer-associated mutants of tumor suppressor protein p16INK4a' 
_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 'Burbidge, O.'     1 ? 
primary 'Pastok, M.W.'     2 ? 
primary 'Hodder, S.L.'     3 ? 
primary 'Zenkeviciute, G.' 4 ? 
primary 'Noble, M.E.M.'    5 ? 
primary 'Endicott, J.A.'   6 ? 
primary 'Itzhaki, L.'      7 ? 
# 
_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                     7OZT 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     42.119 
_cell.length_a_esd                 ? 
_cell.length_b                     182.931 
_cell.length_b_esd                 ? 
_cell.length_c                     65.225 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
# 
_symmetry.entry_id                         7OZT 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                20 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'C 2 2 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
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 'Camelid nanobody NB09'                14208.778 1  ? ? ? ? 
2 polymer man 'Cyclin-dependent kinase inhibitor 2A' 18701.037 1  ? ? ? ? 
3 water   nat water                                  18.015    90 ? ? ? ? 
# 
_entity_name_com.entity_id   2 
_entity_name_com.name        
'Cyclin-dependent kinase 4 inhibitor A,CDK4I,Multiple tumor suppressor 1,MTS-1,p16-INK4a,p16-INK4,p16INK4A' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no 
;QVQLVESGGGLVQAGASLRLSCAASGSTYMFSISAMGWYRQAPGKQRELVAAITSGGGDTNYADSVKGRFTISRDRAKNM
VYLQMNSLKPEDTAVYYCNFAPGLQSVRSGSWGQGTQVTVSSHHHHHHEPEA
;
;QVQLVESGGGLVQAGASLRLSCAASGSTYMFSISAMGWYRQAPGKQRELVAAITSGGGDTNYADSVKGRFTISRDRAKNM
VYLQMNSLKPEDTAVYYCNFAPGLQSVRSGSWGQGTQVTVSSHHHHHHEPEA
;
AAA ? 
2 'polypeptide(L)' no no 
;MAHHHHHHSSGLEVLFQGPMEPAAGSSMEPSADWLATAAARGRVEEVRALLEAGALPNAPNSYGRRPIQVMMMGSARVAE
LLLLHGAEPNCADPATLTRPVHDAAREGFLDTLVVLHRAGARLDVRDAWGRLPVDLAEELGHRDVARYLRAAAGGTRGSN
HARIDAAEGPSDIPD
;
;MAHHHHHHSSGLEVLFQGPMEPAAGSSMEPSADWLATAAARGRVEEVRALLEAGALPNAPNSYGRRPIQVMMMGSARVAE
LLLLHGAEPNCADPATLTRPVHDAAREGFLDTLVVLHRAGARLDVRDAWGRLPVDLAEELGHRDVARYLRAAAGGTRGSN
HARIDAAEGPSDIPD
;
BBB ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLN n 
1 2   VAL n 
1 3   GLN n 
1 4   LEU n 
1 5   VAL n 
1 6   GLU n 
1 7   SER n 
1 8   GLY n 
1 9   GLY n 
1 10  GLY n 
1 11  LEU n 
1 12  VAL n 
1 13  GLN n 
1 14  ALA n 
1 15  GLY n 
1 16  ALA n 
1 17  SER n 
1 18  LEU n 
1 19  ARG n 
1 20  LEU n 
1 21  SER n 
1 22  CYS n 
1 23  ALA n 
1 24  ALA n 
1 25  SER n 
1 26  GLY n 
1 27  SER n 
1 28  THR n 
1 29  TYR n 
1 30  MET n 
1 31  PHE n 
1 32  SER n 
1 33  ILE n 
1 34  SER n 
1 35  ALA n 
1 36  MET n 
1 37  GLY n 
1 38  TRP n 
1 39  TYR n 
1 40  ARG n 
1 41  GLN n 
1 42  ALA n 
1 43  PRO n 
1 44  GLY n 
1 45  LYS n 
1 46  GLN n 
1 47  ARG n 
1 48  GLU n 
1 49  LEU n 
1 50  VAL n 
1 51  ALA n 
1 52  ALA n 
1 53  ILE n 
1 54  THR n 
1 55  SER n 
1 56  GLY n 
1 57  GLY n 
1 58  GLY n 
1 59  ASP n 
1 60  THR n 
1 61  ASN n 
1 62  TYR n 
1 63  ALA n 
1 64  ASP n 
1 65  SER n 
1 66  VAL n 
1 67  LYS n 
1 68  GLY n 
1 69  ARG n 
1 70  PHE n 
1 71  THR n 
1 72  ILE n 
1 73  SER n 
1 74  ARG n 
1 75  ASP n 
1 76  ARG n 
1 77  ALA n 
1 78  LYS n 
1 79  ASN n 
1 80  MET n 
1 81  VAL n 
1 82  TYR n 
1 83  LEU n 
1 84  GLN n 
1 85  MET n 
1 86  ASN n 
1 87  SER n 
1 88  LEU n 
1 89  LYS n 
1 90  PRO n 
1 91  GLU n 
1 92  ASP n 
1 93  THR n 
1 94  ALA n 
1 95  VAL n 
1 96  TYR n 
1 97  TYR n 
1 98  CYS n 
1 99  ASN n 
1 100 PHE n 
1 101 ALA n 
1 102 PRO n 
1 103 GLY n 
1 104 LEU n 
1 105 GLN n 
1 106 SER n 
1 107 VAL n 
1 108 ARG n 
1 109 SER n 
1 110 GLY n 
1 111 SER n 
1 112 TRP n 
1 113 GLY n 
1 114 GLN n 
1 115 GLY n 
1 116 THR n 
1 117 GLN n 
1 118 VAL n 
1 119 THR n 
1 120 VAL n 
1 121 SER n 
1 122 SER n 
1 123 HIS n 
1 124 HIS n 
1 125 HIS n 
1 126 HIS n 
1 127 HIS n 
1 128 HIS n 
1 129 GLU n 
1 130 PRO n 
1 131 GLU n 
1 132 ALA n 
2 1   MET n 
2 2   ALA n 
2 3   HIS n 
2 4   HIS n 
2 5   HIS n 
2 6   HIS n 
2 7   HIS n 
2 8   HIS n 
2 9   SER n 
2 10  SER n 
2 11  GLY n 
2 12  LEU n 
2 13  GLU n 
2 14  VAL n 
2 15  LEU n 
2 16  PHE n 
2 17  GLN n 
2 18  GLY n 
2 19  PRO n 
2 20  MET n 
2 21  GLU n 
2 22  PRO n 
2 23  ALA n 
2 24  ALA n 
2 25  GLY n 
2 26  SER n 
2 27  SER n 
2 28  MET n 
2 29  GLU n 
2 30  PRO n 
2 31  SER n 
2 32  ALA n 
2 33  ASP n 
2 34  TRP n 
2 35  LEU n 
2 36  ALA n 
2 37  THR n 
2 38  ALA n 
2 39  ALA n 
2 40  ALA n 
2 41  ARG n 
2 42  GLY n 
2 43  ARG n 
2 44  VAL n 
2 45  GLU n 
2 46  GLU n 
2 47  VAL n 
2 48  ARG n 
2 49  ALA n 
2 50  LEU n 
2 51  LEU n 
2 52  GLU n 
2 53  ALA n 
2 54  GLY n 
2 55  ALA n 
2 56  LEU n 
2 57  PRO n 
2 58  ASN n 
2 59  ALA n 
2 60  PRO n 
2 61  ASN n 
2 62  SER n 
2 63  TYR n 
2 64  GLY n 
2 65  ARG n 
2 66  ARG n 
2 67  PRO n 
2 68  ILE n 
2 69  GLN n 
2 70  VAL n 
2 71  MET n 
2 72  MET n 
2 73  MET n 
2 74  GLY n 
2 75  SER n 
2 76  ALA n 
2 77  ARG n 
2 78  VAL n 
2 79  ALA n 
2 80  GLU n 
2 81  LEU n 
2 82  LEU n 
2 83  LEU n 
2 84  LEU n 
2 85  HIS n 
2 86  GLY n 
2 87  ALA n 
2 88  GLU n 
2 89  PRO n 
2 90  ASN n 
2 91  CYS n 
2 92  ALA n 
2 93  ASP n 
2 94  PRO n 
2 95  ALA n 
2 96  THR n 
2 97  LEU n 
2 98  THR n 
2 99  ARG n 
2 100 PRO n 
2 101 VAL n 
2 102 HIS n 
2 103 ASP n 
2 104 ALA n 
2 105 ALA n 
2 106 ARG n 
2 107 GLU n 
2 108 GLY n 
2 109 PHE n 
2 110 LEU n 
2 111 ASP n 
2 112 THR n 
2 113 LEU n 
2 114 VAL n 
2 115 VAL n 
2 116 LEU n 
2 117 HIS n 
2 118 ARG n 
2 119 ALA n 
2 120 GLY n 
2 121 ALA n 
2 122 ARG n 
2 123 LEU n 
2 124 ASP n 
2 125 VAL n 
2 126 ARG n 
2 127 ASP n 
2 128 ALA n 
2 129 TRP n 
2 130 GLY n 
2 131 ARG n 
2 132 LEU n 
2 133 PRO n 
2 134 VAL n 
2 135 ASP n 
2 136 LEU n 
2 137 ALA n 
2 138 GLU n 
2 139 GLU n 
2 140 LEU n 
2 141 GLY n 
2 142 HIS n 
2 143 ARG n 
2 144 ASP n 
2 145 VAL n 
2 146 ALA n 
2 147 ARG n 
2 148 TYR n 
2 149 LEU n 
2 150 ARG n 
2 151 ALA n 
2 152 ALA n 
2 153 ALA n 
2 154 GLY n 
2 155 GLY n 
2 156 THR n 
2 157 ARG n 
2 158 GLY n 
2 159 SER n 
2 160 ASN n 
2 161 HIS n 
2 162 ALA n 
2 163 ARG n 
2 164 ILE n 
2 165 ASP n 
2 166 ALA n 
2 167 ALA n 
2 168 GLU n 
2 169 GLY n 
2 170 PRO n 
2 171 SER n 
2 172 ASP n 
2 173 ILE n 
2 174 PRO n 
2 175 ASP n 
# 
loop_
_entity_src_gen.entity_id 
_entity_src_gen.pdbx_src_id 
_entity_src_gen.pdbx_alt_source_flag 
_entity_src_gen.pdbx_seq_type 
_entity_src_gen.pdbx_beg_seq_num 
_entity_src_gen.pdbx_end_seq_num 
_entity_src_gen.gene_src_common_name 
_entity_src_gen.gene_src_genus 
_entity_src_gen.pdbx_gene_src_gene 
_entity_src_gen.gene_src_species 
_entity_src_gen.gene_src_strain 
_entity_src_gen.gene_src_tissue 
_entity_src_gen.gene_src_tissue_fraction 
_entity_src_gen.gene_src_details 
_entity_src_gen.pdbx_gene_src_fragment 
_entity_src_gen.pdbx_gene_src_scientific_name 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 
_entity_src_gen.pdbx_gene_src_variant 
_entity_src_gen.pdbx_gene_src_cell_line 
_entity_src_gen.pdbx_gene_src_atcc 
_entity_src_gen.pdbx_gene_src_organ 
_entity_src_gen.pdbx_gene_src_organelle 
_entity_src_gen.pdbx_gene_src_cell 
_entity_src_gen.pdbx_gene_src_cellular_location 
_entity_src_gen.host_org_common_name 
_entity_src_gen.pdbx_host_org_scientific_name 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 
_entity_src_gen.host_org_genus 
_entity_src_gen.pdbx_host_org_gene 
_entity_src_gen.pdbx_host_org_organ 
_entity_src_gen.host_org_species 
_entity_src_gen.pdbx_host_org_tissue 
_entity_src_gen.pdbx_host_org_tissue_fraction 
_entity_src_gen.pdbx_host_org_strain 
_entity_src_gen.pdbx_host_org_variant 
_entity_src_gen.pdbx_host_org_cell_line 
_entity_src_gen.pdbx_host_org_atcc 
_entity_src_gen.pdbx_host_org_culture_collection 
_entity_src_gen.pdbx_host_org_cell 
_entity_src_gen.pdbx_host_org_organelle 
_entity_src_gen.pdbx_host_org_cellular_location 
_entity_src_gen.pdbx_host_org_vector_type 
_entity_src_gen.pdbx_host_org_vector 
_entity_src_gen.host_org_details 
_entity_src_gen.expression_system_id 
_entity_src_gen.plasmid_name 
_entity_src_gen.plasmid_details 
_entity_src_gen.pdbx_description 
1 1 sample 'Biological sequence' 1 132 Llama ? ?                     ? ? ? ? ? ? 'Lama glama'   9844 ? ? ? ? ? ? ? ? 
'Escherichia coli BL21(DE3)' 469008 ? ? ? ? ? ? Rosetta2 ?      ? ? ? ? ? ? ? ? ? ? pMESy4 ? ? 
2 1 sample 'Biological sequence' 1 175 Human ? 'CDKN2A, CDKN2, MTS1' ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 
'Escherichia coli BL21(DE3)' 469008 ? ? ? ? ? ? ?        LEMO21 ? ? ? ? ? ? ? ? ? ? pOPINF ? ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 PDB 7OZT        7OZT   ? 1 ? 1 
2 UNP CDN2A_HUMAN P42771 ? 2 
;MEPAAGSSMEPSADWLATAAARGRVEEVRALLEAGALPNAPNSYGRRPIQVMMMGSARVAELLLLHGAEPNCADPATLTR
PVHDAAREGFLDTLVVLHRAGARLDVRDAWGRLPVDLAEELGHRDVARYLRAAAGGTRGSNHARIDAAEGPSDIPD
;
1 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 7OZT AAA 1  ? 132 ? 7OZT   1 ? 132 ? 1 132 
2 2 7OZT BBB 20 ? 175 ? P42771 1 ? 156 ? 1 156 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
2 7OZT MET BBB 1  ? UNP P42771 ? ? 'initiating methionine' -18 1  
2 7OZT ALA BBB 2  ? UNP P42771 ? ? 'expression tag'        -17 2  
2 7OZT HIS BBB 3  ? UNP P42771 ? ? 'expression tag'        -16 3  
2 7OZT HIS BBB 4  ? UNP P42771 ? ? 'expression tag'        -15 4  
2 7OZT HIS BBB 5  ? UNP P42771 ? ? 'expression tag'        -14 5  
2 7OZT HIS BBB 6  ? UNP P42771 ? ? 'expression tag'        -13 6  
2 7OZT HIS BBB 7  ? UNP P42771 ? ? 'expression tag'        -12 7  
2 7OZT HIS BBB 8  ? UNP P42771 ? ? 'expression tag'        -11 8  
2 7OZT SER BBB 9  ? UNP P42771 ? ? 'expression tag'        -10 9  
2 7OZT SER BBB 10 ? UNP P42771 ? ? 'expression tag'        -9  10 
2 7OZT GLY BBB 11 ? UNP P42771 ? ? 'expression tag'        -8  11 
2 7OZT LEU BBB 12 ? UNP P42771 ? ? 'expression tag'        -7  12 
2 7OZT GLU BBB 13 ? UNP P42771 ? ? 'expression tag'        -6  13 
2 7OZT VAL BBB 14 ? UNP P42771 ? ? 'expression tag'        -5  14 
2 7OZT LEU BBB 15 ? UNP P42771 ? ? 'expression tag'        -4  15 
2 7OZT PHE BBB 16 ? UNP P42771 ? ? 'expression tag'        -3  16 
2 7OZT GLN BBB 17 ? UNP P42771 ? ? 'expression tag'        -2  17 
2 7OZT GLY BBB 18 ? UNP P42771 ? ? 'expression tag'        -1  18 
2 7OZT PRO BBB 19 ? UNP P42771 ? ? 'expression tag'        0   19 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
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 
# 
_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                   7OZT 
_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            1.91 
_exptl_crystal.density_method              ? 
_exptl_crystal.density_percent_sol         35.56 
_exptl_crystal.description                 ? 
_exptl_crystal.F_000                       ? 
_exptl_crystal.id                          1 
_exptl_crystal.preparation                 ? 
_exptl_crystal.size_max                    ? 
_exptl_crystal.size_mid                    ? 
_exptl_crystal.size_min                    ? 
_exptl_crystal.size_rad                    ? 
_exptl_crystal.colour_lustre               ? 
_exptl_crystal.colour_modifier             ? 
_exptl_crystal.colour_primary              ? 
_exptl_crystal.density_meas                ? 
_exptl_crystal.density_meas_esd            ? 
_exptl_crystal.density_meas_gt             ? 
_exptl_crystal.density_meas_lt             ? 
_exptl_crystal.density_meas_temp           ? 
_exptl_crystal.density_meas_temp_esd       ? 
_exptl_crystal.density_meas_temp_gt        ? 
_exptl_crystal.density_meas_temp_lt        ? 
_exptl_crystal.pdbx_crystal_image_url      ? 
_exptl_crystal.pdbx_crystal_image_format   ? 
_exptl_crystal.pdbx_mosaicity              ? 
_exptl_crystal.pdbx_mosaicity_esd          ? 
# 
_exptl_crystal_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            291 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'Molecular Dimensions Morpheus screen condition G4' 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2018-02-05 
_diffrn_detector.pdbx_frequency               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97622 
_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                        'DIAMOND BEAMLINE I03' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97622 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I03 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       7OZT 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.74 
_reflns.d_resolution_low                               91.47 
_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                                     26446 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.8 
_reflns.pdbx_Rmerge_I_obs                              0.101 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.2 
_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                                0.119 
_reflns.pdbx_Rpim_I_all                                0.061 
_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_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_all 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_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_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.pdbx_percent_possible_ellipsoidal 
_reflns_shell.pdbx_percent_possible_spherical 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous 
_reflns_shell.pdbx_percent_possible_spherical_anomalous 
_reflns_shell.pdbx_redundancy_anomalous 
_reflns_shell.pdbx_CC_half_anomalous 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous 
_reflns_shell.pdbx_percent_possible_anomalous 
9.04 91.47 ? ? ? ? ? ? 239  ? ? ? ? ? 0.046 ? ? ? ? ? ? ? ? 5.6 ? ? ? ? 0.055 0.029 ? 1 1 0.999 ? ? ? ? ? ? ? ? ? ? 
1.74 1.77  ? ? ? ? ? ? 1412 ? ? ? ? ? 0.878 ? ? ? ? ? ? ? ? 6.2 ? ? ? ? 1.058 0.582 ? 2 1 0.361 ? ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            1.175 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -1.038 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            -0.137 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               27.959 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.969 
_refine.correlation_coeff_Fo_to_Fc_free          0.938 
_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                                 7OZT 
_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                            1.740 
_refine.ls_d_res_low                             91.465 
_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                     26427 
_refine.ls_number_reflns_R_free                  930 
_refine.ls_number_reflns_R_work                  25497 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.996 
_refine.ls_percent_reflns_R_free                 3.519 
_refine.ls_R_factor_all                          0.181 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2086 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1798 
_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                      '1BI7, 3OGO' 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            'Random selection' 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.106 
_refine.pdbx_overall_ESU_R_Free                  0.102 
_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                             6.123 
_refine.overall_SU_ML                            0.089 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.740 
_refine_hist.d_res_low                        91.465 
_refine_hist.number_atoms_solvent             90 
_refine_hist.number_atoms_total               1944 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1854 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.016  0.013  1919 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.017  1814 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 2.081  1.639  2608 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.410  1.579  4150 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.884  5.000  253  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 31.079 19.714 105  ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.269 15.000 303  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 18.676 15.000 22   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.102  0.200  242  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  2422 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  470  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.206  0.200  323  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.193  0.200  1699 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.160  0.200  896  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.086  0.200  1034 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.202  0.200  82   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.158  0.200  10   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.249  0.200  37   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.194  0.200  9    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.006  2.258  1006 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.979  2.254  1005 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.184  3.370  1261 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.186  3.374  1262 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.382  2.758  913  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.380  2.761  914  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 5.461  3.964  1347 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 5.459  3.968  1348 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.946  26.785 2017 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.927  26.713 2006 ? r_lrange_other                 ? ? 
# 
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 
_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 
'X-RAY DIFFRACTION' 1.740 1.785  1911 . 0  1911 100.0000 . 0.327 . .     . 0.327 . . . . . 0.324 . 20 . 0.774 .     
'X-RAY DIFFRACTION' 1.785 1.834  1885 . 0  1885 100.0000 . 0.297 . .     . 0.297 . . . . . 0.292 . 20 . 0.799 .     
'X-RAY DIFFRACTION' 1.834 1.887  1822 . 0  1822 100.0000 . 0.284 . .     . 0.284 . . . . . 0.277 . 20 . 0.819 .     
'X-RAY DIFFRACTION' 1.887 1.945  1766 . 0  1766 100.0000 . 0.275 . .     . 0.275 . . . . . 0.261 . 20 . 0.844 .     
'X-RAY DIFFRACTION' 1.945 2.009  1740 . 13 1727 100.0000 . 0.228 . 0.259 . 0.228 . . . . . 0.209 . 20 . 0.888 0.879 
'X-RAY DIFFRACTION' 2.009 2.080  1659 . 83 1576 100.0000 . 0.222 . 0.239 . 0.221 . . . . . 0.202 . 20 . 0.904 0.894 
'X-RAY DIFFRACTION' 2.080 2.158  1598 . 84 1514 100.0000 . 0.206 . 0.226 . 0.205 . . . . . 0.184 . 20 . 0.918 0.923 
'X-RAY DIFFRACTION' 2.158 2.246  1562 . 98 1464 100.0000 . 0.194 . 0.185 . 0.194 . . . . . 0.171 . 20 . 0.930 0.925 
'X-RAY DIFFRACTION' 2.246 2.346  1505 . 69 1436 100.0000 . 0.177 . 0.226 . 0.174 . . . . . 0.155 . 20 . 0.941 0.930 
'X-RAY DIFFRACTION' 2.346 2.460  1406 . 55 1351 100.0000 . 0.170 . 0.197 . 0.169 . . . . . 0.152 . 20 . 0.950 0.946 
'X-RAY DIFFRACTION' 2.460 2.593  1385 . 89 1296 100.0000 . 0.166 . 0.205 . 0.163 . . . . . 0.149 . 20 . 0.954 0.941 
'X-RAY DIFFRACTION' 2.593 2.751  1278 . 59 1219 100.0000 . 0.169 . 0.209 . 0.167 . . . . . 0.159 . 20 . 0.958 0.948 
'X-RAY DIFFRACTION' 2.751 2.940  1220 . 64 1156 100.0000 . 0.181 . 0.224 . 0.179 . . . . . 0.170 . 20 . 0.956 0.951 
'X-RAY DIFFRACTION' 2.940 3.176  1142 . 68 1073 99.9124  . 0.172 . 0.189 . 0.171 . . . . . 0.168 . 20 . 0.963 0.965 
'X-RAY DIFFRACTION' 3.176 3.478  1064 . 57 1007 100.0000 . 0.155 . 0.178 . 0.154 . . . . . 0.158 . 20 . 0.973 0.968 
'X-RAY DIFFRACTION' 3.478 3.888  957  . 66 891  100.0000 . 0.146 . 0.201 . 0.142 . . . . . 0.152 . 20 . 0.978 0.966 
'X-RAY DIFFRACTION' 3.888 4.488  844  . 34 810  100.0000 . 0.124 . 0.225 . 0.120 . . . . . 0.134 . 20 . 0.982 0.957 
'X-RAY DIFFRACTION' 4.488 5.494  744  . 25 719  100.0000 . 0.143 . 0.212 . 0.141 . . . . . 0.158 . 20 . 0.978 0.965 
'X-RAY DIFFRACTION' 5.494 7.755  583  . 40 543  100.0000 . 0.191 . 0.293 . 0.184 . . . . . 0.205 . 20 . 0.962 0.925 
'X-RAY DIFFRACTION' 7.755 91.465 356  . 26 330  100.0000 . 0.164 . 0.147 . 0.165 . . . . . 0.194 . 20 . 0.967 0.981 
# 
_struct.entry_id                     7OZT 
_struct.title                        
'Nanobodies restore stability to cancer-associated mutants of tumor suppressor protein p16INK4a' 
_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        7OZT 
_struct_keywords.text            'nanobody-p16INK4A complex, tumour-suppressor, Checkpoint, pharmacological chaperone, CELL CYCLE' 
_struct_keywords.pdbx_keywords   'CELL CYCLE' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 3 ? 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1  AA1 SER A 27  ? ILE A 33  ? SER AAA 27  ILE AAA 33  1 ? 7  
HELX_P HELX_P2  AA2 LYS A 89  ? THR A 93  ? LYS AAA 89  THR AAA 93  5 ? 5  
HELX_P HELX_P3  AA3 PRO A 102 ? GLN A 105 ? PRO AAA 102 GLN AAA 105 5 ? 4  
HELX_P HELX_P4  AA4 PRO B 30  ? ARG B 41  ? PRO BBB 11  ARG BBB 22  1 ? 12 
HELX_P HELX_P5  AA5 ARG B 43  ? ALA B 53  ? ARG BBB 24  ALA BBB 34  1 ? 11 
HELX_P HELX_P6  AA6 ARG B 66  ? MET B 71  ? ARG BBB 47  MET BBB 52  1 ? 6  
HELX_P HELX_P7  AA7 SER B 75  ? HIS B 85  ? SER BBB 56  HIS BBB 66  1 ? 11 
HELX_P HELX_P8  AA8 ARG B 99  ? GLU B 107 ? ARG BBB 80  GLU BBB 88  1 ? 9  
HELX_P HELX_P9  AA9 PHE B 109 ? GLY B 120 ? PHE BBB 90  GLY BBB 101 1 ? 12 
HELX_P HELX_P10 AB1 LEU B 132 ? GLY B 141 ? LEU BBB 113 GLY BBB 122 1 ? 10 
HELX_P HELX_P11 AB2 HIS B 142 ? ALA B 153 ? HIS BBB 123 ALA BBB 134 1 ? 12 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 22 SG A ? ? 1_555 A CYS 98 SG A ? AAA CYS 22 AAA CYS 98 1_555 ? ? ? ? ? ? ? 2.054 ? ? 
disulf2 disulf ? ? A CYS 22 SG B ? ? 1_555 A CYS 98 SG B ? AAA CYS 22 AAA CYS 98 1_555 ? ? ? ? ? ? ? 1.956 ? ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 4 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA2 1 2 ? parallel      
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 VAL A 2   ? SER A 7   ? VAL AAA 2   SER AAA 7   
AA1 2 LEU A 18  ? GLY A 26  ? LEU AAA 18  GLY AAA 26  
AA1 3 MET A 80  ? MET A 85  ? MET AAA 80  MET AAA 85  
AA1 4 PHE A 70  ? ASP A 75  ? PHE AAA 70  ASP AAA 75  
AA2 1 GLY A 10  ? GLN A 13  ? GLY AAA 10  GLN AAA 13  
AA2 2 THR A 116 ? SER A 121 ? THR AAA 116 SER AAA 121 
AA2 3 ALA A 94  ? PHE A 100 ? ALA AAA 94  PHE AAA 100 
AA2 4 MET A 36  ? GLN A 41  ? MET AAA 36  GLN AAA 41  
AA2 5 GLU A 48  ? ILE A 53  ? GLU AAA 48  ILE AAA 53  
AA2 6 THR A 60  ? TYR A 62  ? THR AAA 60  TYR AAA 62  
# 
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 GLN A 3   ? N GLN AAA 3   O SER A 25  ? O SER AAA 25  
AA1 2 3 N LEU A 18  ? N LEU AAA 18  O MET A 85  ? O MET AAA 85  
AA1 3 4 O TYR A 82  ? O TYR AAA 82  N SER A 73  ? N SER AAA 73  
AA2 1 2 N GLY A 10  ? N GLY AAA 10  O THR A 119 ? O THR AAA 119 
AA2 2 3 O VAL A 118 ? O VAL AAA 118 N ALA A 94  ? N ALA AAA 94  
AA2 3 4 O TYR A 97  ? O TYR AAA 97  N TYR A 39  ? N TYR AAA 39  
AA2 4 5 N TRP A 38  ? N TRP AAA 38  O VAL A 50  ? O VAL AAA 50  
AA2 5 6 N ALA A 52  ? N ALA AAA 52  O ASN A 61  ? O ASN AAA 61  
# 
_atom_sites.entry_id                    7OZT 
_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.fract_transf_matrix[1][1]   0.023742 
_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]   0.005467 
_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]   0.015332 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
H 1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N 7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O 8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S 16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.049   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
_atom_site.pdbx_tls_group_id 
ATOM   1    N N    . GLN A 1 1   ? -12.525 19.961 -16.050 1.000 48.481  0 1   GLN AAA N    1 ? 1 
ATOM   2    C CA   . GLN A 1 1   ? -12.871 19.657 -14.635 1.000 49.227  0 1   GLN AAA CA   1 ? 1 
ATOM   3    C C    . GLN A 1 1   ? -11.887 18.602 -14.054 1.000 43.944  0 1   GLN AAA C    1 ? 1 
ATOM   4    O O    . GLN A 1 1   ? -11.312 17.817 -14.843 1.000 42.701  0 1   GLN AAA O    1 ? 1 
ATOM   5    C CB   . GLN A 1 1   ? -14.334 19.183 -14.608 1.000 59.719  0 1   GLN AAA CB   1 ? 1 
ATOM   6    C CG   . GLN A 1 1   ? -14.644 18.157 -13.514 1.000 69.607  0 1   GLN AAA CG   1 ? 1 
ATOM   7    C CD   . GLN A 1 1   ? -15.967 17.433 -13.636 1.000 76.777  0 1   GLN AAA CD   1 ? 1 
ATOM   8    O OE1  . GLN A 1 1   ? -16.914 17.893 -14.284 1.000 82.295  0 1   GLN AAA OE1  1 ? 1 
ATOM   9    N NE2  . GLN A 1 1   ? -16.038 16.279 -12.983 1.000 79.724  0 1   GLN AAA NE2  1 ? 1 
ATOM   10   H H1   . GLN A 1 1   ? -13.265 20.251 -16.501 1.000 49.490  0 1   GLN AAA H1   1 c 1 
ATOM   11   H H2   . GLN A 1 1   ? -12.177 19.172 -16.479 1.000 49.025  0 1   GLN AAA H2   1 c 1 
ATOM   12   H H3   . GLN A 1 1   ? -11.856 20.654 -16.067 1.000 48.830  0 1   GLN AAA H3   1 c 1 
ATOM   13   H HA   . GLN A 1 1   ? -12.794 20.485 -14.110 1.000 49.513  0 1   GLN AAA HA   1 c 1 
ATOM   14   H HB2  . GLN A 1 1   ? -14.910 19.963 -14.479 1.000 59.501  0 1   GLN AAA HB2  1 c 1 
ATOM   15   H HB3  . GLN A 1 1   ? -14.552 18.792 -15.480 1.000 59.784  0 1   GLN AAA HB3  1 c 1 
ATOM   16   H HG2  . GLN A 1 1   ? -13.933 17.483 -13.510 1.000 68.026  0 1   GLN AAA HG2  1 c 1 
ATOM   17   H HG3  . GLN A 1 1   ? -14.618 18.611 -12.644 1.000 67.996  0 1   GLN AAA HG3  1 c 1 
ATOM   18   H HE21 . GLN A 1 1   ? -16.754 15.766 -13.068 1.000 79.006  0 1   GLN AAA HE21 1 c 1 
ATOM   19   H HE22 . GLN A 1 1   ? -15.373 16.024 -12.458 1.000 78.124  0 1   GLN AAA HE22 1 c 1 
ATOM   20   N N    . VAL A 1 2   ? -11.735 18.524 -12.723 1.000 37.772  0 2   VAL AAA N    1 ? 1 
ATOM   21   C CA   . VAL A 1 2   ? -10.953 17.446 -12.060 1.000 37.090  0 2   VAL AAA CA   1 ? 1 
ATOM   22   C C    . VAL A 1 2   ? -11.870 16.280 -11.637 1.000 36.632  0 2   VAL AAA C    1 ? 1 
ATOM   23   O O    . VAL A 1 2   ? -12.868 16.469 -10.944 1.000 37.194  0 2   VAL AAA O    1 ? 1 
ATOM   24   C CB   . VAL A 1 2   ? -10.124 17.969 -10.885 1.000 35.854  0 2   VAL AAA CB   1 ? 1 
ATOM   25   C CG1  . VAL A 1 2   ? -9.058  16.950 -10.558 1.000 35.173  0 2   VAL AAA CG1  1 ? 1 
ATOM   26   C CG2  . VAL A 1 2   ? -9.503  19.303 -11.205 1.000 35.824  0 2   VAL AAA CG2  1 ? 1 
ATOM   27   H H    . VAL A 1 2   ? -12.114 19.117 -12.144 1.000 38.812  0 2   VAL AAA H    1 c 1 
ATOM   28   H HA   . VAL A 1 2   ? -10.328 17.097 -12.721 1.000 37.080  0 2   VAL AAA HA   1 c 1 
ATOM   29   H HB   . VAL A 1 2   ? -10.719 18.072 -10.102 1.000 35.689  0 2   VAL AAA HB   1 c 1 
ATOM   30   H HG11 . VAL A 1 2   ? -9.476  16.112 -10.296 1.000 35.187  0 2   VAL AAA HG11 1 c 1 
ATOM   31   H HG12 . VAL A 1 2   ? -8.509  17.279 -9.825  1.000 34.928  0 2   VAL AAA HG12 1 c 1 
ATOM   32   H HG13 . VAL A 1 2   ? -8.498  16.802 -11.339 1.000 35.506  0 2   VAL AAA HG13 1 c 1 
ATOM   33   H HG21 . VAL A 1 2   ? -9.129  19.280 -12.103 1.000 36.203  0 2   VAL AAA HG21 1 c 1 
ATOM   34   H HG22 . VAL A 1 2   ? -8.797  19.496 -10.565 1.000 35.538  0 2   VAL AAA HG22 1 c 1 
ATOM   35   H HG23 . VAL A 1 2   ? -10.182 19.999 -11.156 1.000 36.028  0 2   VAL AAA HG23 1 c 1 
ATOM   36   N N    . GLN A 1 3   ? -11.552 15.082 -12.066 1.000 34.114  0 3   GLN AAA N    1 ? 1 
ATOM   37   C CA   . GLN A 1 3   ? -12.281 13.874 -11.630 1.000 36.068  0 3   GLN AAA CA   1 ? 1 
ATOM   38   C C    . GLN A 1 3   ? -11.373 13.210 -10.586 1.000 29.974  0 3   GLN AAA C    1 ? 1 
ATOM   39   O O    . GLN A 1 3   ? -10.205 12.940 -10.891 1.000 26.783  0 3   GLN AAA O    1 ? 1 
ATOM   40   C CB   . GLN A 1 3   ? -12.598 12.976 -12.818 1.000 43.886  0 3   GLN AAA CB   1 ? 1 
ATOM   41   C CG   . GLN A 1 3   ? -13.496 13.617 -13.888 1.000 57.127  0 3   GLN AAA CG   1 ? 1 
ATOM   42   C CD   . GLN A 1 3   ? -14.852 12.932 -13.984 1.000 73.776  0 3   GLN AAA CD   1 ? 1 
ATOM   43   O OE1  . GLN A 1 3   ? -15.701 13.001 -13.074 1.000 83.341  0 3   GLN AAA OE1  1 ? 1 
ATOM   44   N NE2  . GLN A 1 3   ? -15.070 12.238 -15.099 1.000 82.657  0 3   GLN AAA NE2  1 ? 1 
ATOM   45   H H    . GLN A 1 3   ? -10.872 14.923 -12.651 1.000 35.292  0 3   GLN AAA H    1 c 1 
ATOM   46   H HA   . GLN A 1 3   ? -13.123 14.146 -11.199 1.000 35.788  0 3   GLN AAA HA   1 c 1 
ATOM   47   H HB2  . GLN A 1 3   ? -11.752 12.710 -13.235 1.000 44.493  0 3   GLN AAA HB2  1 c 1 
ATOM   48   H HB3  . GLN A 1 3   ? -13.031 12.164 -12.483 1.000 44.532  0 3   GLN AAA HB3  1 c 1 
ATOM   49   H HG2  . GLN A 1 3   ? -13.630 14.564 -13.673 1.000 56.928  0 3   GLN AAA HG2  1 c 1 
ATOM   50   H HG3  . GLN A 1 3   ? -13.046 13.567 -14.758 1.000 57.446  0 3   GLN AAA HG3  1 c 1 
ATOM   51   H HE21 . GLN A 1 3   ? -15.898 12.098 -15.378 1.000 80.474  0 3   GLN AAA HE21 1 c 1 
ATOM   52   H HE22 . GLN A 1 3   ? -14.388 11.912 -15.558 1.000 79.894  0 3   GLN AAA HE22 1 c 1 
ATOM   53   N N    . LEU A 1 4   ? -11.892 13.019 -9.391  1.000 27.703  0 4   LEU AAA N    1 ? 1 
ATOM   54   C CA   . LEU A 1 4   ? -11.148 12.395 -8.281  1.000 26.073  0 4   LEU AAA CA   1 ? 1 
ATOM   55   C C    . LEU A 1 4   ? -11.801 11.037 -8.034  1.000 27.403  0 4   LEU AAA C    1 ? 1 
ATOM   56   O O    . LEU A 1 4   ? -12.999 11.023 -7.939  1.000 28.893  0 4   LEU AAA O    1 ? 1 
ATOM   57   C CB   . LEU A 1 4   ? -11.268 13.327 -7.077  1.000 26.138  0 4   LEU AAA CB   1 ? 1 
ATOM   58   C CG   . LEU A 1 4   ? -10.674 14.732 -7.218  1.000 26.624  0 4   LEU AAA CG   1 ? 1 
ATOM   59   C CD1  . LEU A 1 4   ? -10.959 15.538 -5.973  1.000 28.503  0 4   LEU AAA CD1  1 ? 1 
ATOM   60   C CD2  . LEU A 1 4   ? -9.177  14.725 -7.460  1.000 25.041  0 4   LEU AAA CD2  1 ? 1 
ATOM   61   H H    . LEU A 1 4   ? -12.745 13.258 -9.177  1.000 28.046  0 4   LEU AAA H    1 c 1 
ATOM   62   H HA   . LEU A 1 4   ? -10.207 12.275 -8.535  1.000 26.492  0 4   LEU AAA HA   1 c 1 
ATOM   63   H HB2  . LEU A 1 4   ? -12.217 13.420 -6.861  1.000 26.315  0 4   LEU AAA HB2  1 c 1 
ATOM   64   H HB3  . LEU A 1 4   ? -10.840 12.891 -6.314  1.000 25.875  0 4   LEU AAA HB3  1 c 1 
ATOM   65   H HG   . LEU A 1 4   ? -11.111 15.179 -7.985  1.000 26.956  0 4   LEU AAA HG   1 c 1 
ATOM   66   H HD11 . LEU A 1 4   ? -11.921 15.601 -5.839  1.000 27.991  0 4   LEU AAA HD11 1 c 1 
ATOM   67   H HD12 . LEU A 1 4   ? -10.588 16.432 -6.072  1.000 27.828  0 4   LEU AAA HD12 1 c 1 
ATOM   68   H HD13 . LEU A 1 4   ? -10.553 15.102 -5.203  1.000 27.564  0 4   LEU AAA HD13 1 c 1 
ATOM   69   H HD21 . LEU A 1 4   ? -8.727  14.310 -6.705  1.000 25.195  0 4   LEU AAA HD21 1 c 1 
ATOM   70   H HD22 . LEU A 1 4   ? -8.861  15.640 -7.559  1.000 25.494  0 4   LEU AAA HD22 1 c 1 
ATOM   71   H HD23 . LEU A 1 4   ? -8.979  14.225 -8.270  1.000 25.672  0 4   LEU AAA HD23 1 c 1 
ATOM   72   N N    . VAL A 1 5   ? -11.028 9.956  -7.920  1.000 26.419  0 5   VAL AAA N    1 ? 1 
ATOM   73   C CA   . VAL A 1 5   ? -11.558 8.616  -7.542  1.000 26.663  0 5   VAL AAA CA   1 ? 1 
ATOM   74   C C    . VAL A 1 5   ? -10.804 8.108  -6.309  1.000 24.411  0 5   VAL AAA C    1 ? 1 
ATOM   75   O O    . VAL A 1 5   ? -9.582  8.267  -6.236  1.000 23.364  0 5   VAL AAA O    1 ? 1 
ATOM   76   C CB   . VAL A 1 5   ? -11.509 7.672  -8.755  1.000 27.004  0 5   VAL AAA CB   1 ? 1 
ATOM   77   C CG1  . VAL A 1 5   ? -12.416 8.191  -9.861  1.000 28.121  0 5   VAL AAA CG1  1 ? 1 
ATOM   78   C CG2  . VAL A 1 5   ? -10.100 7.470  -9.276  1.000 27.977  0 5   VAL AAA CG2  1 ? 1 
ATOM   79   H H    . VAL A 1 5   ? -10.127 9.975  -8.051  1.000 26.540  0 5   VAL AAA H    1 c 1 
ATOM   80   H HA   . VAL A 1 5   ? -12.492 8.727  -7.293  1.000 26.392  0 5   VAL AAA HA   1 c 1 
ATOM   81   H HB   . VAL A 1 5   ? -11.856 6.794  -8.463  1.000 27.323  0 5   VAL AAA HB   1 c 1 
ATOM   82   H HG11 . VAL A 1 5   ? -13.315 8.321  -9.510  1.000 28.066  0 5   VAL AAA HG11 1 c 1 
ATOM   83   H HG12 . VAL A 1 5   ? -12.443 7.544  -10.588 1.000 28.265  0 5   VAL AAA HG12 1 c 1 
ATOM   84   H HG13 . VAL A 1 5   ? -12.073 9.038  -10.194 1.000 27.984  0 5   VAL AAA HG13 1 c 1 
ATOM   85   H HG21 . VAL A 1 5   ? -9.724  8.325  -9.545  1.000 27.664  0 5   VAL AAA HG21 1 c 1 
ATOM   86   H HG22 . VAL A 1 5   ? -10.122 6.872  -10.043 1.000 27.949  0 5   VAL AAA HG22 1 c 1 
ATOM   87   H HG23 . VAL A 1 5   ? -9.546  7.078  -8.579  1.000 27.338  0 5   VAL AAA HG23 1 c 1 
ATOM   88   N N    . GLU A 1 6   ? -11.582 7.691  -5.295  1.000 24.229  0 6   GLU AAA N    1 ? 1 
ATOM   89   C CA   . GLU A 1 6   ? -11.115 7.302  -3.958  1.000 20.979  0 6   GLU AAA CA   1 ? 1 
ATOM   90   C C    . GLU A 1 6   ? -11.164 5.768  -3.783  1.000 21.312  0 6   GLU AAA C    1 ? 1 
ATOM   91   O O    . GLU A 1 6   ? -12.198 5.104  -4.137  1.000 21.856  0 6   GLU AAA O    1 ? 1 
ATOM   92   C CB   . GLU A 1 6   ? -11.900 7.984  -2.847  1.000 22.202  0 6   GLU AAA CB   1 ? 1 
ATOM   93   C CG   . GLU A 1 6   ? -11.976 9.489  -3.005  1.000 24.143  0 6   GLU AAA CG   1 ? 1 
ATOM   94   C CD   . GLU A 1 6   ? -13.349 10.138 -3.065  1.000 23.967  0 6   GLU AAA CD   1 ? 1 
ATOM   95   O OE1  . GLU A 1 6   ? -14.226 9.569  -3.727  1.000 26.249  0 6   GLU AAA OE1  1 ? 1 
ATOM   96   O OE2  . GLU A 1 6   ? -13.507 11.212 -2.430  1.000 23.813  0 6   GLU AAA OE2  1 ? 1 
ATOM   97   H H    . GLU A 1 6   ? -12.486 7.618  -5.383  1.000 23.757  0 6   GLU AAA H    1 c 1 
ATOM   98   H HA   . GLU A 1 6   ? -10.178 7.585  -3.880  1.000 21.629  0 6   GLU AAA HA   1 c 1 
ATOM   99   H HB2  . GLU A 1 6   ? -12.808 7.616  -2.832  1.000 22.540  0 6   GLU AAA HB2  1 c 1 
ATOM   100  H HB3  . GLU A 1 6   ? -11.475 7.775  -1.989  1.000 22.141  0 6   GLU AAA HB3  1 c 1 
ATOM   101  H HG2  . GLU A 1 6   ? -11.489 9.896  -2.257  1.000 23.351  0 6   GLU AAA HG2  1 c 1 
ATOM   102  H HG3  . GLU A 1 6   ? -11.495 9.738  -3.823  1.000 23.584  0 6   GLU AAA HG3  1 c 1 
ATOM   103  N N    . SER A 1 7   ? -10.118 5.250  -3.113  1.000 20.756  0 7   SER AAA N    1 ? 1 
ATOM   104  C CA   . SER A 1 7   ? -9.931  3.803  -2.821  1.000 20.003  0 7   SER AAA CA   1 ? 1 
ATOM   105  C C    . SER A 1 7   ? -9.090  3.623  -1.575  1.000 20.039  0 7   SER AAA C    1 ? 1 
ATOM   106  O O    . SER A 1 7   ? -8.491  4.551  -1.119  1.000 20.208  0 7   SER AAA O    1 ? 1 
ATOM   107  C CB   . SER A 1 7   ? -9.344  3.127  -4.001  1.000 20.928  0 7   SER AAA CB   1 ? 1 
ATOM   108  O OG   . SER A 1 7   ? -8.060  3.638  -4.254  1.000 21.454  0 7   SER AAA OG   1 ? 1 
ATOM   109  H H    . SER A 1 7   ? -9.436  5.758  -2.785  1.000 20.488  0 7   SER AAA H    1 c 1 
ATOM   110  H HA   . SER A 1 7   ? -10.827 3.407  -2.648  1.000 20.481  0 7   SER AAA HA   1 c 1 
ATOM   111  H HB2  . SER A 1 7   ? -9.289  2.159  -3.833  1.000 20.932  0 7   SER AAA HB2  1 c 1 
ATOM   112  H HB3  . SER A 1 7   ? -9.919  3.274  -4.785  1.000 21.096  0 7   SER AAA HB3  1 c 1 
ATOM   113  H HG   . SER A 1 7   ? -7.754  3.249  -4.929  0.000 20.890  0 7   SER AAA HG   1 c 1 
ATOM   114  N N    . GLY A 1 8   ? -9.110  2.419  -1.027  1.000 20.777  0 8   GLY AAA N    1 ? 1 
ATOM   115  C CA   . GLY A 1 8   ? -8.191  1.981  0.037   1.000 20.656  0 8   GLY AAA CA   1 ? 1 
ATOM   116  C C    . GLY A 1 8   ? -8.940  1.665  1.296   1.000 19.699  0 8   GLY AAA C    1 ? 1 
ATOM   117  O O    . GLY A 1 8   ? -8.348  1.181  2.225   1.000 20.571  0 8   GLY AAA O    1 ? 1 
ATOM   118  H H    . GLY A 1 8   ? -9.697  1.776  -1.297  1.000 20.744  0 8   GLY AAA H    1 c 1 
ATOM   119  H HA2  . GLY A 1 8   ? -7.702  1.176  -0.267  1.000 20.481  0 8   GLY AAA HA2  1 c 1 
ATOM   120  H HA3  . GLY A 1 8   ? -7.533  2.696  0.216   1.000 20.327  0 8   GLY AAA HA3  1 c 1 
ATOM   121  N N    . GLY A 1 9   ? -10.240 1.895  1.352   1.000 22.042  0 9   GLY AAA N    1 ? 1 
ATOM   122  C CA   . GLY A 1 9   ? -10.935 1.715  2.628   1.000 22.353  0 9   GLY AAA CA   1 ? 1 
ATOM   123  C C    . GLY A 1 9   ? -11.385 0.271  2.836   1.000 25.125  0 9   GLY AAA C    1 ? 1 
ATOM   124  O O    . GLY A 1 9   ? -11.082 -0.626 1.995   1.000 23.520  0 9   GLY AAA O    1 ? 1 
ATOM   125  H H    . GLY A 1 9   ? -10.747 2.165  0.646   1.000 21.580  0 9   GLY AAA H    1 c 1 
ATOM   126  H HA2  . GLY A 1 9   ? -10.334 1.983  3.369   1.000 22.813  0 9   GLY AAA HA2  1 c 1 
ATOM   127  H HA3  . GLY A 1 9   ? -11.726 2.309  2.648   1.000 22.962  0 9   GLY AAA HA3  1 c 1 
ATOM   128  N N    . GLY A 1 10  ? -12.104 0.056  3.940   1.000 27.697  0 10  GLY AAA N    1 ? 1 
ATOM   129  C CA   . GLY A 1 10  ? -12.845 -1.188 4.220   1.000 27.924  0 10  GLY AAA CA   1 ? 1 
ATOM   130  C C    . GLY A 1 10  ? -12.802 -1.497 5.696   1.000 26.670  0 10  GLY AAA C    1 ? 1 
ATOM   131  O O    . GLY A 1 10  ? -12.760 -0.557 6.475   1.000 25.987  0 10  GLY AAA O    1 ? 1 
ATOM   132  H H    . GLY A 1 10  ? -12.180 0.686  4.594   1.000 27.099  0 10  GLY AAA H    1 c 1 
ATOM   133  H HA2  . GLY A 1 10  ? -13.785 -1.082 3.929   1.000 27.768  0 10  GLY AAA HA2  1 c 1 
ATOM   134  H HA3  . GLY A 1 10  ? -12.440 -1.934 3.712   1.000 27.547  0 10  GLY AAA HA3  1 c 1 
ATOM   135  N N    . LEU A 1 11  ? -12.753 -2.777 6.046   1.000 26.502  0 11  LEU AAA N    1 ? 1 
ATOM   136  C CA   . LEU A 1 11  ? -12.954 -3.200 7.463   1.000 26.600  0 11  LEU AAA CA   1 ? 1 
ATOM   137  C C    . LEU A 1 11  ? -11.605 -3.620 8.039   1.000 25.674  0 11  LEU AAA C    1 ? 1 
ATOM   138  O O    . LEU A 1 11  ? -10.913 -4.512 7.429   1.000 24.526  0 11  LEU AAA O    1 ? 1 
ATOM   139  C CB   . LEU A 1 11  ? -13.988 -4.332 7.505   1.000 27.224  0 11  LEU AAA CB   1 ? 1 
ATOM   140  C CG   . LEU A 1 11  ? -14.359 -4.890 8.883   1.000 27.496  0 11  LEU AAA CG   1 ? 1 
ATOM   141  C CD1  . LEU A 1 11  ? -15.019 -3.824 9.802   1.000 27.965  0 11  LEU AAA CD1  1 ? 1 
ATOM   142  C CD2  . LEU A 1 11  ? -15.235 -6.106 8.680   1.000 26.364  0 11  LEU AAA CD2  1 ? 1 
ATOM   143  H H    . LEU A 1 11  ? -12.599 -3.456 5.459   1.000 26.521  0 11  LEU AAA H    1 c 1 
ATOM   144  H HA   . LEU A 1 11  ? -13.293 -2.432 7.973   1.000 26.595  0 11  LEU AAA HA   1 c 1 
ATOM   145  H HB2  . LEU A 1 11  ? -14.806 -4.008 7.078   1.000 27.206  0 11  LEU AAA HB2  1 c 1 
ATOM   146  H HB3  . LEU A 1 11  ? -13.649 -5.069 6.958   1.000 27.052  0 11  LEU AAA HB3  1 c 1 
ATOM   147  H HG   . LEU A 1 11  ? -13.525 -5.191 9.321   1.000 27.245  0 11  LEU AAA HG   1 c 1 
ATOM   148  H HD11 . LEU A 1 11  ? -14.381 -3.112 9.983   1.000 27.687  0 11  LEU AAA HD11 1 c 1 
ATOM   149  H HD12 . LEU A 1 11  ? -15.287 -4.239 10.640  1.000 28.256  0 11  LEU AAA HD12 1 c 1 
ATOM   150  H HD13 . LEU A 1 11  ? -15.802 -3.453 9.359   1.000 27.954  0 11  LEU AAA HD13 1 c 1 
ATOM   151  H HD21 . LEU A 1 11  ? -16.034 -5.852 8.187   1.000 26.903  0 11  LEU AAA HD21 1 c 1 
ATOM   152  H HD22 . LEU A 1 11  ? -15.491 -6.470 9.545   1.000 27.152  0 11  LEU AAA HD22 1 c 1 
ATOM   153  H HD23 . LEU A 1 11  ? -14.745 -6.780 8.178   1.000 26.691  0 11  LEU AAA HD23 1 c 1 
ATOM   154  N N    . VAL A 1 12  ? -11.263 -3.037 9.171   1.000 26.879  0 12  VAL AAA N    1 ? 1 
ATOM   155  C CA   . VAL A 1 12  ? -10.064 -3.436 9.939   1.000 28.390  0 12  VAL AAA CA   1 ? 1 
ATOM   156  C C    . VAL A 1 12  ? -10.428 -3.564 11.407  1.000 29.410  0 12  VAL AAA C    1 ? 1 
ATOM   157  O O    . VAL A 1 12  ? -11.500 -3.116 11.760  1.000 30.579  0 12  VAL AAA O    1 ? 1 
ATOM   158  C CB   . VAL A 1 12  ? -8.933  -2.418 9.723   1.000 28.716  0 12  VAL AAA CB   1 ? 1 
ATOM   159  C CG1  . VAL A 1 12  ? -8.424  -2.414 8.275   1.000 27.560  0 12  VAL AAA CG1  1 ? 1 
ATOM   160  C CG2  . VAL A 1 12  ? -9.404  -1.045 10.179  1.000 30.935  0 12  VAL AAA CG2  1 ? 1 
ATOM   161  H H    . VAL A 1 12  ? -11.747 -2.368 9.556   1.000 27.035  0 12  VAL AAA H    1 c 1 
ATOM   162  H HA   . VAL A 1 12  ? -9.764  -4.305 9.619   1.000 28.328  0 12  VAL AAA HA   1 c 1 
ATOM   163  H HB   . VAL A 1 12  ? -8.181  -2.687 10.305  1.000 29.051  0 12  VAL AAA HB   1 c 1 
ATOM   164  H HG11 . VAL A 1 12  ? -8.152  -3.314 8.024   1.000 27.845  0 12  VAL AAA HG11 1 c 1 
ATOM   165  H HG12 . VAL A 1 12  ? -7.663  -1.813 8.199   1.000 27.687  0 12  VAL AAA HG12 1 c 1 
ATOM   166  H HG13 . VAL A 1 12  ? -9.134  -2.114 7.682   1.000 27.644  0 12  VAL AAA HG13 1 c 1 
ATOM   167  H HG21 . VAL A 1 12  ? -10.139 -0.747 9.616   1.000 30.068  0 12  VAL AAA HG21 1 c 1 
ATOM   168  H HG22 . VAL A 1 12  ? -8.668  -0.412 10.109  1.000 30.094  0 12  VAL AAA HG22 1 c 1 
ATOM   169  H HG23 . VAL A 1 12  ? -9.701  -1.090 11.104  1.000 30.528  0 12  VAL AAA HG23 1 c 1 
ATOM   170  N N    . GLN A 1 13  ? -9.526  -4.164 12.181  1.000 33.231  0 13  GLN AAA N    1 ? 1 
ATOM   171  C CA   . GLN A 1 13  ? -9.550  -4.150 13.659  1.000 38.053  0 13  GLN AAA CA   1 ? 1 
ATOM   172  C C    . GLN A 1 13  ? -8.804  -2.912 14.176  1.000 34.108  0 13  GLN AAA C    1 ? 1 
ATOM   173  O O    . GLN A 1 13  ? -7.894  -2.434 13.507  1.000 32.362  0 13  GLN AAA O    1 ? 1 
ATOM   174  C CB   . GLN A 1 13  ? -8.996  -5.466 14.245  1.000 45.836  0 13  GLN AAA CB   1 ? 1 
ATOM   175  C CG   . GLN A 1 13  ? -9.872  -6.012 15.403  1.000 57.660  0 13  GLN AAA CG   1 ? 1 
ATOM   176  C CD   . GLN A 1 13  ? -9.172  -6.411 16.704  1.000 65.285  0 13  GLN AAA CD   1 ? 1 
ATOM   177  O OE1  . GLN A 1 13  ? -8.703  -7.547 16.819  1.000 71.939  0 13  GLN AAA OE1  1 ? 1 
ATOM   178  N NE2  . GLN A 1 13  ? -9.126  -5.518 17.706  1.000 63.818  0 13  GLN AAA NE2  1 ? 1 
ATOM   179  H H    . GLN A 1 13  ? -8.819  -4.624 11.834  1.000 33.233  0 13  GLN AAA H    1 c 1 
ATOM   180  H HA   . GLN A 1 13  ? -10.491 -4.068 13.935  1.000 37.863  0 13  GLN AAA HA   1 c 1 
ATOM   181  H HB2  . GLN A 1 13  ? -8.950  -6.136 13.531  1.000 45.984  0 13  GLN AAA HB2  1 c 1 
ATOM   182  H HB3  . GLN A 1 13  ? -8.086  -5.309 14.572  1.000 46.341  0 13  GLN AAA HB3  1 c 1 
ATOM   183  H HG2  . GLN A 1 13  ? -10.549 -5.338 15.622  1.000 56.153  0 13  GLN AAA HG2  1 c 1 
ATOM   184  H HG3  . GLN A 1 13  ? -10.354 -6.799 15.071  1.000 56.215  0 13  GLN AAA HG3  1 c 1 
ATOM   185  H HE21 . GLN A 1 13  ? -8.732  -5.728 18.469  1.000 64.854  0 13  GLN AAA HE21 1 c 1 
ATOM   186  H HE22 . GLN A 1 13  ? -9.487  -4.717 17.603  1.000 64.183  0 13  GLN AAA HE22 1 c 1 
ATOM   187  N N    . ALA A 1 14  ? -9.159  -2.422 15.363  1.000 32.627  0 14  ALA AAA N    1 ? 1 
ATOM   188  C CA   . ALA A 1 14  ? -8.449  -1.311 16.010  1.000 34.011  0 14  ALA AAA CA   1 ? 1 
ATOM   189  C C    . ALA A 1 14  ? -6.951  -1.627 16.050  1.000 33.440  0 14  ALA AAA C    1 ? 1 
ATOM   190  O O    . ALA A 1 14  ? -6.562  -2.793 16.296  1.000 34.882  0 14  ALA AAA O    1 ? 1 
ATOM   191  C CB   . ALA A 1 14  ? -9.014  -1.084 17.389  1.000 36.740  0 14  ALA AAA CB   1 ? 1 
ATOM   192  H H    . ALA A 1 14  ? -9.858  -2.735 15.855  1.000 33.674  0 14  ALA AAA H    1 c 1 
ATOM   193  H HA   . ALA A 1 14  ? -8.583  -0.497 15.472  1.000 33.654  0 14  ALA AAA HA   1 c 1 
ATOM   194  H HB1  . ALA A 1 14  ? -8.537  -0.354 17.820  1.000 36.241  0 14  ALA AAA HB1  1 c 1 
ATOM   195  H HB2  . ALA A 1 14  ? -9.957  -0.856 17.321  1.000 36.058  0 14  ALA AAA HB2  1 c 1 
ATOM   196  H HB3  . ALA A 1 14  ? -8.914  -1.892 17.919  1.000 36.479  0 14  ALA AAA HB3  1 c 1 
ATOM   197  N N    . GLY A 1 15  ? -6.114  -0.613 15.896  1.000 32.960  0 15  GLY AAA N    1 ? 1 
ATOM   198  C CA   . GLY A 1 15  ? -4.649  -0.770 15.914  1.000 31.697  0 15  GLY AAA CA   1 ? 1 
ATOM   199  C C    . GLY A 1 15  ? -4.109  -1.014 14.518  1.000 29.252  0 15  GLY AAA C    1 ? 1 
ATOM   200  O O    . GLY A 1 15  ? -2.930  -0.981 14.360  1.000 31.162  0 15  GLY AAA O    1 ? 1 
ATOM   201  H H    . GLY A 1 15  ? -6.401  0.243  15.771  1.000 32.516  0 15  GLY AAA H    1 c 1 
ATOM   202  H HA2  . GLY A 1 15  ? -4.240  0.051  16.287  1.000 31.728  0 15  GLY AAA HA2  1 c 1 
ATOM   203  H HA3  . GLY A 1 15  ? -4.408  -1.531 16.500  1.000 32.005  0 15  GLY AAA HA3  1 c 1 
ATOM   204  N N    . ALA A 1 16  ? -4.951  -1.353 13.565  1.000 28.585  0 16  ALA AAA N    1 ? 1 
ATOM   205  C CA   . ALA A 1 16  ? -4.533  -1.694 12.203  1.000 28.227  0 16  ALA AAA CA   1 ? 1 
ATOM   206  C C    . ALA A 1 16  ? -4.196  -0.426 11.397  1.000 28.065  0 16  ALA AAA C    1 ? 1 
ATOM   207  O O    . ALA A 1 16  ? -4.490  0.687  11.864  1.000 27.193  0 16  ALA AAA O    1 ? 1 
ATOM   208  C CB   . ALA A 1 16  ? -5.619  -2.462 11.523  1.000 29.239  0 16  ALA AAA CB   1 ? 1 
ATOM   209  H H    . ALA A 1 16  ? -5.852  -1.390 13.672  1.000 28.627  0 16  ALA AAA H    1 c 1 
ATOM   210  H HA   . ALA A 1 16  ? -3.727  -2.260 12.252  1.000 28.703  0 16  ALA AAA HA   1 c 1 
ATOM   211  H HB1  . ALA A 1 16  ? -5.308  -2.767 10.654  1.000 28.612  0 16  ALA AAA HB1  1 c 1 
ATOM   212  H HB2  . ALA A 1 16  ? -5.864  -3.230 12.065  1.000 29.123  0 16  ALA AAA HB2  1 c 1 
ATOM   213  H HB3  . ALA A 1 16  ? -6.395  -1.889 11.404  1.000 28.672  0 16  ALA AAA HB3  1 c 1 
ATOM   214  N N    . SER A 1 17  ? -3.698  -0.627 10.179  1.000 28.063  0 17  SER AAA N    1 ? 1 
ATOM   215  C CA   . SER A 1 17  ? -3.310  0.442  9.207   1.000 27.306  0 17  SER AAA CA   1 ? 1 
ATOM   216  C C    . SER A 1 17  ? -4.174  0.338  7.971   1.000 26.807  0 17  SER AAA C    1 ? 1 
ATOM   217  O O    . SER A 1 17  ? -4.490  -0.800 7.619   1.000 26.160  0 17  SER AAA O    1 ? 1 
ATOM   218  C CB   . SER A 1 17  ? -1.881  0.289  8.808   1.000 28.889  0 17  SER AAA CB   1 ? 1 
ATOM   219  O OG   . SER A 1 17  ? -1.034  0.583  9.902   1.000 36.460  0 17  SER AAA OG   1 ? 1 
ATOM   220  H H    . SER A 1 17  ? -3.547  -1.460 9.843   1.000 27.912  0 17  SER AAA H    1 c 1 
ATOM   221  H HA   . SER A 1 17  ? -3.444  1.328  9.630   1.000 27.651  0 17  SER AAA HA   1 c 1 
ATOM   222  H HB2  . SER A 1 17  ? -1.721  -0.633 8.504   1.000 30.093  0 17  SER AAA HB2  1 c 1 
ATOM   223  H HB3  . SER A 1 17  ? -1.680  0.900  8.062   1.000 29.818  0 17  SER AAA HB3  1 c 1 
ATOM   224  H HG   . SER A 1 17  ? -0.208  0.548  9.620   0.000 37.300  0 17  SER AAA HG   1 c 1 
ATOM   225  N N    . LEU A 1 18  ? -4.464  1.468  7.300   1.000 25.825  0 18  LEU AAA N    1 ? 1 
ATOM   226  C CA   . LEU A 1 18  ? -5.031  1.505  5.925   1.000 25.209  0 18  LEU AAA CA   1 ? 1 
ATOM   227  C C    . LEU A 1 18  ? -4.266  2.576  5.132   1.000 22.609  0 18  LEU AAA C    1 ? 1 
ATOM   228  O O    . LEU A 1 18  ? -3.631  3.444  5.760   1.000 20.511  0 18  LEU AAA O    1 ? 1 
ATOM   229  C CB   . LEU A 1 18  ? -6.516  1.896  5.895   1.000 24.088  0 18  LEU AAA CB   1 ? 1 
ATOM   230  C CG   . LEU A 1 18  ? -7.520  0.879  6.427   1.000 25.121  0 18  LEU AAA CG   1 ? 1 
ATOM   231  C CD1  . LEU A 1 18  ? -8.902  1.518  6.641   1.000 25.046  0 18  LEU AAA CD1  1 ? 1 
ATOM   232  C CD2  . LEU A 1 18  ? -7.618  -0.339 5.508   1.000 25.491  0 18  LEU AAA CD2  1 ? 1 
ATOM   233  H H    . LEU A 1 18  ? -4.330  2.295  7.660   1.000 25.934  0 18  LEU AAA H    1 c 1 
ATOM   234  H HA   . LEU A 1 18  ? -4.902  0.628  5.496   1.000 24.615  0 18  LEU AAA HA   1 c 1 
ATOM   235  H HB2  . LEU A 1 18  ? -6.620  2.722  6.410   1.000 24.535  0 18  LEU AAA HB2  1 c 1 
ATOM   236  H HB3  . LEU A 1 18  ? -6.756  2.101  4.969   1.000 24.350  0 18  LEU AAA HB3  1 c 1 
ATOM   237  H HG   . LEU A 1 18  ? -7.193  0.567  7.307   1.000 25.214  0 18  LEU AAA HG   1 c 1 
ATOM   238  H HD11 . LEU A 1 18  ? -8.840  2.207  7.325   1.000 25.141  0 18  LEU AAA HD11 1 c 1 
ATOM   239  H HD12 . LEU A 1 18  ? -9.535  0.835  6.925   1.000 25.233  0 18  LEU AAA HD12 1 c 1 
ATOM   240  H HD13 . LEU A 1 18  ? -9.209  1.916  5.808   1.000 24.920  0 18  LEU AAA HD13 1 c 1 
ATOM   241  H HD21 . LEU A 1 18  ? -7.795  -0.045 4.598   1.000 25.221  0 18  LEU AAA HD21 1 c 1 
ATOM   242  H HD22 . LEU A 1 18  ? -8.341  -0.915 5.809   1.000 25.502  0 18  LEU AAA HD22 1 c 1 
ATOM   243  H HD23 . LEU A 1 18  ? -6.780  -0.832 5.532   1.000 25.432  0 18  LEU AAA HD23 1 c 1 
ATOM   244  N N    . ARG A 1 19  ? -4.352  2.496  3.815   1.000 22.117  0 19  ARG AAA N    1 ? 1 
ATOM   245  C CA   . ARG A 1 19  ? -3.797  3.542  2.956   1.000 22.242  0 19  ARG AAA CA   1 ? 1 
ATOM   246  C C    . ARG A 1 19  ? -4.864  3.891  1.949   1.000 20.909  0 19  ARG AAA C    1 ? 1 
ATOM   247  O O    . ARG A 1 19  ? -5.187  3.080  1.129   1.000 19.564  0 19  ARG AAA O    1 ? 1 
ATOM   248  C CB   . ARG A 1 19  ? -2.488  3.124  2.281   1.000 25.393  0 19  ARG AAA CB   1 ? 1 
ATOM   249  C CG   . ARG A 1 19  ? -1.808  4.229  1.470   1.000 29.363  0 19  ARG AAA CG   1 ? 1 
ATOM   250  C CD   . ARG A 1 19  ? -0.573  3.640  0.792   1.000 36.485  0 19  ARG AAA CD   1 ? 1 
ATOM   251  N NE   . ARG A 1 19  ? 0.235   4.565  0.005   1.000 43.436  0 19  ARG AAA NE   1 ? 1 
ATOM   252  C CZ   . ARG A 1 19  ? 1.062   5.499  0.505   1.000 48.842  0 19  ARG AAA CZ   1 ? 1 
ATOM   253  N NH1  . ARG A 1 19  ? 1.178   5.711  1.807   1.000 48.980  0 19  ARG AAA NH1  1 ? 1 
ATOM   254  N NH2  . ARG A 1 19  ? 1.777   6.249  -0.317  1.000 53.206  0 19  ARG AAA NH2  1 ? 1 
ATOM   255  H H    . ARG A 1 19  ? -4.747  1.801  3.376   1.000 22.228  0 19  ARG AAA H    1 c 1 
ATOM   256  H HA   . ARG A 1 19  ? -3.619  4.333  3.510   1.000 22.499  0 19  ARG AAA HA   1 c 1 
ATOM   257  H HB2  . ARG A 1 19  ? -1.867  2.815  2.973   1.000 25.688  0 19  ARG AAA HB2  1 c 1 
ATOM   258  H HB3  . ARG A 1 19  ? -2.673  2.367  1.686   1.000 25.487  0 19  ARG AAA HB3  1 c 1 
ATOM   259  H HG2  . ARG A 1 19  ? -2.424  4.576  0.789   1.000 29.630  0 19  ARG AAA HG2  1 c 1 
ATOM   260  H HG3  . ARG A 1 19  ? -1.544  4.966  2.061   1.000 29.852  0 19  ARG AAA HG3  1 c 1 
ATOM   261  H HD2  . ARG A 1 19  ? -0.002  3.241  1.483   1.000 36.352  0 19  ARG AAA HD2  1 c 1 
ATOM   262  H HD3  . ARG A 1 19  ? -0.864  2.910  0.204   1.000 36.125  0 19  ARG AAA HD3  1 c 1 
ATOM   263  H HE   . ARG A 1 19  ? 0.220   4.470  -0.861  1.000 43.250  0 19  ARG AAA HE   1 c 1 
ATOM   264  H HH11 . ARG A 1 19  ? 0.725   5.220  2.376   1.000 48.515  0 19  ARG AAA HH11 1 c 1 
ATOM   265  H HH12 . ARG A 1 19  ? 1.721   6.335  2.103   1.000 48.854  0 19  ARG AAA HH12 1 c 1 
ATOM   266  H HH21 . ARG A 1 19  ? 1.706   6.137  -1.188  1.000 51.288  0 19  ARG AAA HH21 1 c 1 
ATOM   267  H HH22 . ARG A 1 19  ? 2.302   6.879  0.006   1.000 51.425  0 19  ARG AAA HH22 1 c 1 
ATOM   268  N N    . LEU A 1 20  ? -5.335  5.121  2.033   1.000 20.655  0 20  LEU AAA N    1 ? 1 
ATOM   269  C CA   . LEU A 1 20  ? -6.308  5.662  1.046   1.000 20.123  0 20  LEU AAA CA   1 ? 1 
ATOM   270  C C    . LEU A 1 20  ? -5.563  6.384  -0.103  1.000 19.333  0 20  LEU AAA C    1 ? 1 
ATOM   271  O O    . LEU A 1 20  ? -4.540  6.988  0.116   1.000 18.426  0 20  LEU AAA O    1 ? 1 
ATOM   272  C CB   . LEU A 1 20  ? -7.264  6.609  1.737   1.000 20.843  0 20  LEU AAA CB   1 ? 1 
ATOM   273  C CG   . LEU A 1 20  ? -7.921  6.141  3.028   1.000 21.108  0 20  LEU AAA CG   1 ? 1 
ATOM   274  C CD1  . LEU A 1 20  ? -8.935  7.218  3.426   1.000 21.025  0 20  LEU AAA CD1  1 ? 1 
ATOM   275  C CD2  . LEU A 1 20  ? -8.563  4.748  2.870   1.000 21.636  0 20  LEU AAA CD2  1 ? 1 
ATOM   276  H H    . LEU A 1 20  ? -5.097  5.707  2.690   1.000 20.613  0 20  LEU AAA H    1 c 1 
ATOM   277  H HA   . LEU A 1 20  ? -6.815  4.909  0.668   1.000 20.232  0 20  LEU AAA HA   1 c 1 
ATOM   278  H HB2  . LEU A 1 20  ? -6.779  7.436  1.930   1.000 20.669  0 20  LEU AAA HB2  1 c 1 
ATOM   279  H HB3  . LEU A 1 20  ? -7.973  6.834  1.102   1.000 20.705  0 20  LEU AAA HB3  1 c 1 
ATOM   280  H HG   . LEU A 1 20  ? -7.227  6.088  3.730   1.000 21.188  0 20  LEU AAA HG   1 c 1 
ATOM   281  H HD11 . LEU A 1 20  ? -8.480  8.072  3.525   1.000 21.010  0 20  LEU AAA HD11 1 c 1 
ATOM   282  H HD12 . LEU A 1 20  ? -9.353  6.975  4.271   1.000 21.173  0 20  LEU AAA HD12 1 c 1 
ATOM   283  H HD13 . LEU A 1 20  ? -9.618  7.293  2.738   1.000 21.071  0 20  LEU AAA HD13 1 c 1 
ATOM   284  H HD21 . LEU A 1 20  ? -9.144  4.745  2.089   1.000 21.509  0 20  LEU AAA HD21 1 c 1 
ATOM   285  H HD22 . LEU A 1 20  ? -9.087  4.540  3.663   1.000 21.604  0 20  LEU AAA HD22 1 c 1 
ATOM   286  H HD23 . LEU A 1 20  ? -7.866  4.079  2.758   1.000 21.506  0 20  LEU AAA HD23 1 c 1 
ATOM   287  N N    . SER A 1 21  ? -6.102  6.254  -1.309  1.000 19.729  0 21  SER AAA N    1 ? 1 
ATOM   288  C CA   . SER A 1 21  ? -5.607  6.875  -2.544  1.000 22.692  0 21  SER AAA CA   1 ? 1 
ATOM   289  C C    . SER A 1 21  ? -6.709  7.732  -3.141  1.000 22.384  0 21  SER AAA C    1 ? 1 
ATOM   290  O O    . SER A 1 21  ? -7.829  7.264  -3.274  1.000 21.726  0 21  SER AAA O    1 ? 1 
ATOM   291  C CB   . SER A 1 21  ? -5.195  5.908  -3.602  1.000 25.054  0 21  SER AAA CB   1 ? 1 
ATOM   292  O OG   . SER A 1 21  ? -4.291  5.012  -3.092  1.000 29.885  0 21  SER AAA OG   1 ? 1 
ATOM   293  H H    . SER A 1 21  ? -6.845  5.749  -1.461  1.000 20.320  0 21  SER AAA H    1 c 1 
ATOM   294  H HA   . SER A 1 21  ? -4.832  7.456  -2.318  1.000 22.404  0 21  SER AAA HA   1 c 1 
ATOM   295  H HB2  . SER A 1 21  ? -5.989  5.427  -3.944  1.000 25.602  0 21  SER AAA HB2  1 c 1 
ATOM   296  H HB3  . SER A 1 21  ? -4.784  6.403  -4.354  1.000 25.692  0 21  SER AAA HB3  1 c 1 
ATOM   297  H HG   . SER A 1 21  ? -4.509  4.430  -3.923  0.000 34.790  0 21  SER AAA HG   1 c 1 
ATOM   298  N N    A CYS A 1 22  ? -6.339  8.955  -3.477  0.500 22.521  0 22  CYS AAA N    1 ? 1 
ATOM   299  N N    B CYS A 1 22  ? -6.335  8.939  -3.595  0.500 21.932  0 22  CYS AAA N    1 ? 1 
ATOM   300  C CA   A CYS A 1 22  ? -7.142  9.807  -4.362  0.500 22.873  0 22  CYS AAA CA   1 ? 1 
ATOM   301  C CA   B CYS A 1 22  ? -7.186  9.927  -4.324  0.500 21.915  0 22  CYS AAA CA   1 ? 1 
ATOM   302  C C    A CYS A 1 22  ? -6.345  10.012 -5.643  0.500 22.337  0 22  CYS AAA C    1 ? 1 
ATOM   303  C C    B CYS A 1 22  ? -6.471  10.228 -5.655  0.500 21.858  0 22  CYS AAA C    1 ? 1 
ATOM   304  O O    A CYS A 1 22  ? -5.186  10.405 -5.546  0.500 21.775  0 22  CYS AAA O    1 ? 1 
ATOM   305  O O    B CYS A 1 22  ? -5.445  10.942 -5.607  0.500 22.210  0 22  CYS AAA O    1 ? 1 
ATOM   306  C CB   A CYS A 1 22  ? -7.426  11.138 -3.713  0.500 24.505  0 22  CYS AAA CB   1 ? 1 
ATOM   307  C CB   B CYS A 1 22  ? -7.387  11.154 -3.428  0.500 22.588  0 22  CYS AAA CB   1 ? 1 
ATOM   308  S SG   A CYS A 1 22  ? -8.496  12.107 -4.788  0.500 24.330  0 22  CYS AAA SG   1 ? 1 
ATOM   309  S SG   B CYS A 1 22  ? -7.906  12.712 -4.221  0.500 21.247  0 22  CYS AAA SG   1 ? 1 
ATOM   310  H H    A CYS A 1 22  ? -5.574  9.360  -3.190  0.500 22.505  0 22  CYS AAA H    1 c 1 
ATOM   311  H H    B CYS A 1 22  ? -5.487  9.252  -3.483  0.500 22.005  0 22  CYS AAA H    1 c 1 
ATOM   312  H HA   A CYS A 1 22  ? -7.991  9.355  -4.566  0.500 23.079  0 22  CYS AAA HA   1 c 1 
ATOM   313  H HA   B CYS A 1 22  ? -8.060  9.516  -4.509  0.500 22.124  0 22  CYS AAA HA   1 c 1 
ATOM   314  H HB2  A CYS A 1 22  ? -7.868  11.002 -2.851  0.500 23.879  0 22  CYS AAA HB2  1 c 1 
ATOM   315  H HB2  B CYS A 1 22  ? -8.059  10.930 -2.753  0.500 21.976  0 22  CYS AAA HB2  1 c 1 
ATOM   316  H HB3  A CYS A 1 22  ? -6.589  11.623 -3.566  0.500 23.934  0 22  CYS AAA HB3  1 c 1 
ATOM   317  H HB3  B CYS A 1 22  ? -6.549  11.327 -2.954  0.500 21.945  0 22  CYS AAA HB3  1 c 1 
ATOM   318  N N    . ALA A 1 23  ? -6.935  9.621  -6.760  1.000 21.725  0 23  ALA AAA N    1 ? 1 
ATOM   319  C CA   . ALA A 1 23  ? -6.354  9.712  -8.110  1.000 23.062  0 23  ALA AAA CA   1 ? 1 
ATOM   320  C C    . ALA A 1 23  ? -7.131  10.801 -8.902  1.000 22.863  0 23  ALA AAA C    1 ? 1 
ATOM   321  O O    . ALA A 1 23  ? -8.366  10.745 -9.003  1.000 22.255  0 23  ALA AAA O    1 ? 1 
ATOM   322  C CB   . ALA A 1 23  ? -6.423  8.384  -8.803  1.000 23.182  0 23  ALA AAA CB   1 ? 1 
ATOM   323  H H    . ALA A 1 23  ? -7.725  9.170  -6.751  1.000 22.212  0 23  ALA AAA H    1 c 1 
ATOM   324  H HA   . ALA A 1 23  ? -5.410  9.986  -8.035  1.000 22.733  0 23  ALA AAA HA   1 c 1 
ATOM   325  H HB1  . ALA A 1 23  ? -6.119  8.480  -9.721  1.000 23.526  0 23  ALA AAA HB1  1 c 1 
ATOM   326  H HB2  . ALA A 1 23  ? -5.856  7.747  -8.339  1.000 23.137  0 23  ALA AAA HB2  1 c 1 
ATOM   327  H HB3  . ALA A 1 23  ? -7.340  8.062  -8.799  1.000 23.284  0 23  ALA AAA HB3  1 c 1 
ATOM   328  N N    . ALA A 1 24  ? -6.421  11.785 -9.423  1.000 23.845  0 24  ALA AAA N    1 ? 1 
ATOM   329  C CA   . ALA A 1 24  ? -6.998  12.846 -10.265 1.000 23.729  0 24  ALA AAA CA   1 ? 1 
ATOM   330  C C    . ALA A 1 24  ? -6.832  12.531 -11.761 1.000 25.314  0 24  ALA AAA C    1 ? 1 
ATOM   331  O O    . ALA A 1 24  ? -5.813  12.024 -12.198 1.000 24.903  0 24  ALA AAA O    1 ? 1 
ATOM   332  C CB   . ALA A 1 24  ? -6.372  14.150 -9.896  1.000 23.669  0 24  ALA AAA CB   1 ? 1 
ATOM   333  H H    . ALA A 1 24  ? -5.522  11.879 -9.304  1.000 23.487  0 24  ALA AAA H    1 c 1 
ATOM   334  H HA   . ALA A 1 24  ? -7.959  12.902 -10.070 1.000 24.027  0 24  ALA AAA HA   1 c 1 
ATOM   335  H HB1  . ALA A 1 24  ? -6.783  14.865 -10.410 1.000 23.876  0 24  ALA AAA HB1  1 c 1 
ATOM   336  H HB2  . ALA A 1 24  ? -6.506  14.317 -8.948  1.000 23.346  0 24  ALA AAA HB2  1 c 1 
ATOM   337  H HB3  . ALA A 1 24  ? -5.420  14.121 -10.088 1.000 23.704  0 24  ALA AAA HB3  1 c 1 
ATOM   338  N N    . SER A 1 25  ? -7.825  12.892 -12.559 1.000 27.301  0 25  SER AAA N    1 ? 1 
ATOM   339  C CA   . SER A 1 25  ? -7.802  12.876 -14.063 1.000 30.237  0 25  SER AAA CA   1 ? 1 
ATOM   340  C C    . SER A 1 25  ? -8.509  14.136 -14.533 1.000 30.099  0 25  SER AAA C    1 ? 1 
ATOM   341  O O    . SER A 1 25  ? -9.074  14.826 -13.686 1.000 31.598  0 25  SER AAA O    1 ? 1 
ATOM   342  C CB   . SER A 1 25  ? -8.427  11.591 -14.671 1.000 30.946  0 25  SER AAA CB   1 ? 1 
ATOM   343  O OG   . SER A 1 25  ? -9.737  11.272 -14.136 1.000 29.443  0 25  SER AAA OG   1 ? 1 
ATOM   344  H H    . SER A 1 25  ? -8.628  13.181 -12.238 1.000 27.361  0 25  SER AAA H    1 c 1 
ATOM   345  H HA   . SER A 1 25  ? -6.852  12.930 -14.356 1.000 29.821  0 25  SER AAA HA   1 c 1 
ATOM   346  H HB2  . SER A 1 25  ? -8.500  11.704 -15.646 1.000 31.052  0 25  SER AAA HB2  1 c 1 
ATOM   347  H HB3  . SER A 1 25  ? -7.821  10.834 -14.504 1.000 30.366  0 25  SER AAA HB3  1 c 1 
ATOM   348  H HG   . SER A 1 25  ? -10.018 10.585 -14.531 0.000 26.950  0 25  SER AAA HG   1 c 1 
ATOM   349  N N    . GLY A 1 26  ? -8.456  14.460 -15.807 1.000 32.135  0 26  GLY AAA N    1 ? 1 
ATOM   350  C CA   . GLY A 1 26  ? -9.091  15.689 -16.329 1.000 33.509  0 26  GLY AAA CA   1 ? 1 
ATOM   351  C C    . GLY A 1 26  ? -8.121  16.847 -16.263 1.000 35.744  0 26  GLY AAA C    1 ? 1 
ATOM   352  O O    . GLY A 1 26  ? -7.004  16.699 -16.859 1.000 34.016  0 26  GLY AAA O    1 ? 1 
ATOM   353  H H    . GLY A 1 26  ? -8.030  13.950 -16.430 1.000 32.307  0 26  GLY AAA H    1 c 1 
ATOM   354  H HA2  . GLY A 1 26  ? -9.366  15.540 -17.268 1.000 34.411  0 26  GLY AAA HA2  1 c 1 
ATOM   355  H HA3  . GLY A 1 26  ? -9.897  15.896 -15.795 1.000 33.675  0 26  GLY AAA HA3  1 c 1 
ATOM   356  N N    . SER A 1 27  ? -8.450  17.920 -15.522 1.000 36.774  0 27  SER AAA N    1 ? 1 
ATOM   357  C CA   . SER A 1 27  ? -7.545  19.093 -15.347 1.000 36.490  0 27  SER AAA CA   1 ? 1 
ATOM   358  C C    . SER A 1 27  ? -6.561  18.728 -14.289 1.000 36.351  0 27  SER AAA C    1 ? 1 
ATOM   359  O O    . SER A 1 27  ? -6.684  19.213 -13.165 1.000 38.254  0 27  SER AAA O    1 ? 1 
ATOM   360  C CB   . SER A 1 27  ? -8.186  20.407 -14.992 1.000 36.318  0 27  SER AAA CB   1 ? 1 
ATOM   361  O OG   . SER A 1 27  ? -9.287  20.644 -15.824 1.000 40.209  0 27  SER AAA OG   1 ? 1 
ATOM   362  H H    . SER A 1 27  ? -9.239  18.012 -15.076 1.000 36.298  0 27  SER AAA H    1 c 1 
ATOM   363  H HA   . SER A 1 27  ? -7.046  19.217 -16.198 1.000 37.013  0 27  SER AAA HA   1 c 1 
ATOM   364  H HB2  . SER A 1 27  ? -8.483  20.390 -14.055 1.000 36.656  0 27  SER AAA HB2  1 c 1 
ATOM   365  H HB3  . SER A 1 27  ? -7.530  21.133 -15.095 1.000 37.146  0 27  SER AAA HB3  1 c 1 
ATOM   366  H HG   . SER A 1 27  ? -9.696  21.369 -15.594 0.000 40.660  0 27  SER AAA HG   1 c 1 
ATOM   367  N N    . THR A 1 28  ? -5.637  17.859 -14.638 1.000 33.321  0 28  THR AAA N    1 ? 1 
ATOM   368  C CA   . THR A 1 28  ? -4.590  17.477 -13.689 1.000 31.612  0 28  THR AAA CA   1 ? 1 
ATOM   369  C C    . THR A 1 28  ? -3.712  18.712 -13.404 1.000 31.860  0 28  THR AAA C    1 ? 1 
ATOM   370  O O    . THR A 1 28  ? -3.010  18.687 -12.347 1.000 29.687  0 28  THR AAA O    1 ? 1 
ATOM   371  C CB   . THR A 1 28  ? -3.809  16.275 -14.196 1.000 30.130  0 28  THR AAA CB   1 ? 1 
ATOM   372  O OG1  . THR A 1 28  ? -3.128  16.724 -15.366 1.000 30.881  0 28  THR AAA OG1  1 ? 1 
ATOM   373  C CG2  . THR A 1 28  ? -4.708  15.098 -14.479 1.000 31.225  0 28  THR AAA CG2  1 ? 1 
ATOM   374  H H    . THR A 1 28  ? -5.549  17.485 -15.463 1.000 34.111  0 28  THR AAA H    1 c 1 
ATOM   375  H HA   . THR A 1 28  ? -5.032  17.217 -12.848 1.000 31.165  0 28  THR AAA HA   1 c 1 
ATOM   376  H HB   . THR A 1 28  ? -3.146  16.019 -13.512 1.000 30.351  0 28  THR AAA HB   1 c 1 
ATOM   377  H HG1  . THR A 1 28  ? -2.664  16.079 -15.679 0.000 31.120  0 28  THR AAA HG1  1 c 1 
ATOM   378  H HG21 . THR A 1 28  ? -5.310  14.961 -13.726 1.000 30.536  0 28  THR AAA HG21 1 c 1 
ATOM   379  H HG22 . THR A 1 28  ? -4.167  14.300 -14.610 1.000 30.956  0 28  THR AAA HG22 1 c 1 
ATOM   380  H HG23 . THR A 1 28  ? -5.230  15.270 -15.283 1.000 31.333  0 28  THR AAA HG23 1 c 1 
ATOM   381  N N    . TYR A 1 29  ? -3.685  19.683 -14.337 1.000 32.467  0 29  TYR AAA N    1 ? 1 
ATOM   382  C CA   . TYR A 1 29  ? -3.075  21.023 -14.161 1.000 33.988  0 29  TYR AAA CA   1 ? 1 
ATOM   383  C C    . TYR A 1 29  ? -3.562  21.679 -12.847 1.000 30.522  0 29  TYR AAA C    1 ? 1 
ATOM   384  O O    . TYR A 1 29  ? -2.766  22.010 -11.962 1.000 30.885  0 29  TYR AAA O    1 ? 1 
ATOM   385  C CB   . TYR A 1 29  ? -3.491  21.970 -15.301 1.000 36.781  0 29  TYR AAA CB   1 ? 1 
ATOM   386  C CG   . TYR A 1 29  ? -2.873  23.349 -15.118 1.000 38.966  0 29  TYR AAA CG   1 ? 1 
ATOM   387  C CD1  . TYR A 1 29  ? -1.498  23.540 -15.237 1.000 38.537  0 29  TYR AAA CD1  1 ? 1 
ATOM   388  C CD2  . TYR A 1 29  ? -3.626  24.470 -14.739 1.000 39.565  0 29  TYR AAA CD2  1 ? 1 
ATOM   389  C CE1  . TYR A 1 29  ? -0.913  24.791 -15.017 1.000 36.932  0 29  TYR AAA CE1  1 ? 1 
ATOM   390  C CE2  . TYR A 1 29  ? -3.041  25.731 -14.547 1.000 40.064  0 29  TYR AAA CE2  1 ? 1 
ATOM   391  C CZ   . TYR A 1 29  ? -1.672  25.884 -14.656 1.000 35.544  0 29  TYR AAA CZ   1 ? 1 
ATOM   392  O OH   . TYR A 1 29  ? -1.063  27.088 -14.522 1.000 34.031  0 29  TYR AAA OH   1 ? 1 
ATOM   393  H H    . TYR A 1 29  ? -4.027  19.572 -15.174 1.000 33.205  0 29  TYR AAA H    1 c 1 
ATOM   394  H HA   . TYR A 1 29  ? -2.088  20.938 -14.141 1.000 33.597  0 29  TYR AAA HA   1 c 1 
ATOM   395  H HB2  . TYR A 1 29  ? -3.194  21.591 -16.155 1.000 37.156  0 29  TYR AAA HB2  1 c 1 
ATOM   396  H HB3  . TYR A 1 29  ? -4.467  22.046 -15.320 1.000 36.704  0 29  TYR AAA HB3  1 c 1 
ATOM   397  H HD1  . TYR A 1 29  ? -0.947  22.808 -15.459 1.000 38.335  0 29  TYR AAA HD1  1 c 1 
ATOM   398  H HD2  . TYR A 1 29  ? -4.558  24.381 -14.644 1.000 39.189  0 29  TYR AAA HD2  1 c 1 
ATOM   399  H HE1  . TYR A 1 29  ? 0.017   24.893 -15.123 1.000 37.531  0 29  TYR AAA HE1  1 c 1 
ATOM   400  H HE2  . TYR A 1 29  ? -3.579  26.468 -14.313 1.000 38.654  0 29  TYR AAA HE2  1 c 1 
ATOM   401  H HH   . TYR A 1 29  ? -0.227  27.002 -14.616 0.000 32.010  0 29  TYR AAA HH   1 c 1 
ATOM   402  N N    . MET A 1 30  ? -4.874  21.810 -12.769 1.000 32.806  0 30  MET AAA N    1 ? 1 
ATOM   403  C CA   . MET A 1 30  ? -5.645  22.468 -11.685 1.000 33.748  0 30  MET AAA CA   1 ? 1 
ATOM   404  C C    . MET A 1 30  ? -5.272  21.696 -10.386 1.000 29.579  0 30  MET AAA C    1 ? 1 
ATOM   405  O O    . MET A 1 30  ? -4.878  22.311 -9.397  1.000 27.370  0 30  MET AAA O    1 ? 1 
ATOM   406  C CB   . MET A 1 30  ? -7.132  22.366 -12.073 1.000 36.703  0 30  MET AAA CB   1 ? 1 
ATOM   407  C CG   . MET A 1 30  ? -8.171  22.907 -11.088 1.000 39.191  0 30  MET AAA CG   1 ? 1 
ATOM   408  S SD   . MET A 1 30  ? -7.880  24.631 -10.819 1.000 45.736  0 30  MET AAA SD   1 ? 1 
ATOM   409  C CE   . MET A 1 30  ? -9.509  25.355 -10.688 1.000 45.949  0 30  MET AAA CE   1 ? 1 
ATOM   410  H H    . MET A 1 30  ? -5.418  21.467 -13.414 1.000 32.846  0 30  MET AAA H    1 c 1 
ATOM   411  H HA   . MET A 1 30  ? -5.364  23.406 -11.608 1.000 33.389  0 30  MET AAA HA   1 c 1 
ATOM   412  H HB2  . MET A 1 30  ? -7.251  22.833 -12.924 1.000 37.073  0 30  MET AAA HB2  1 c 1 
ATOM   413  H HB3  . MET A 1 30  ? -7.335  21.425 -12.234 1.000 36.627  0 30  MET AAA HB3  1 c 1 
ATOM   414  H HG2  . MET A 1 30  ? -9.073  22.780 -11.451 1.000 40.163  0 30  MET AAA HG2  1 c 1 
ATOM   415  H HG3  . MET A 1 30  ? -8.106  22.426 -10.236 1.000 39.516  0 30  MET AAA HG3  1 c 1 
ATOM   416  H HE1  . MET A 1 30  ? -9.428  26.309 -10.569 1.000 46.032  0 30  MET AAA HE1  1 c 1 
ATOM   417  H HE2  . MET A 1 30  ? -10.007 25.172 -11.492 1.000 46.348  0 30  MET AAA HE2  1 c 1 
ATOM   418  H HE3  . MET A 1 30  ? -9.970  24.974 -9.931  1.000 45.694  0 30  MET AAA HE3  1 c 1 
ATOM   419  N N    . PHE A 1 31  ? -5.252  20.368 -10.459 1.000 26.254  0 31  PHE AAA N    1 ? 1 
ATOM   420  C CA   . PHE A 1 31  ? -4.960  19.488 -9.317  1.000 23.822  0 31  PHE AAA CA   1 ? 1 
ATOM   421  C C    . PHE A 1 31  ? -3.546  19.769 -8.804  1.000 23.124  0 31  PHE AAA C    1 ? 1 
ATOM   422  O O    . PHE A 1 31  ? -3.406  19.891 -7.582  1.000 21.282  0 31  PHE AAA O    1 ? 1 
ATOM   423  C CB   . PHE A 1 31  ? -5.255  18.048 -9.699  1.000 25.111  0 31  PHE AAA CB   1 ? 1 
ATOM   424  C CG   . PHE A 1 31  ? -4.828  17.027 -8.682  1.000 25.108  0 31  PHE AAA CG   1 ? 1 
ATOM   425  C CD1  . PHE A 1 31  ? -5.667  16.672 -7.639  1.000 25.887  0 31  PHE AAA CD1  1 ? 1 
ATOM   426  C CD2  . PHE A 1 31  ? -3.571  16.458 -8.745  1.000 26.124  0 31  PHE AAA CD2  1 ? 1 
ATOM   427  C CE1  . PHE A 1 31  ? -5.275  15.707 -6.724  1.000 25.728  0 31  PHE AAA CE1  1 ? 1 
ATOM   428  C CE2  . PHE A 1 31  ? -3.167  15.540 -7.800  1.000 24.943  0 31  PHE AAA CE2  1 ? 1 
ATOM   429  C CZ   . PHE A 1 31  ? -4.019  15.167 -6.804  1.000 25.490  0 31  PHE AAA CZ   1 ? 1 
ATOM   430  H H    . PHE A 1 31  ? -5.429  19.905 -11.224 1.000 26.737  0 31  PHE AAA H    1 c 1 
ATOM   431  H HA   . PHE A 1 31  ? -5.587  19.733 -8.590  1.000 24.070  0 31  PHE AAA HA   1 c 1 
ATOM   432  H HB2  . PHE A 1 31  ? -6.219  17.960 -9.850  1.000 24.970  0 31  PHE AAA HB2  1 c 1 
ATOM   433  H HB3  . PHE A 1 31  ? -4.802  17.854 -10.547 1.000 25.212  0 31  PHE AAA HB3  1 c 1 
ATOM   434  H HD1  . PHE A 1 31  ? -6.536  17.037 -7.594  1.000 25.639  0 31  PHE AAA HD1  1 c 1 
ATOM   435  H HD2  . PHE A 1 31  ? -2.978  16.712 -9.435  1.000 25.981  0 31  PHE AAA HD2  1 c 1 
ATOM   436  H HE1  . PHE A 1 31  ? -5.851  15.461 -6.020  1.000 25.397  0 31  PHE AAA HE1  1 c 1 
ATOM   437  H HE2  . PHE A 1 31  ? -2.313  15.146 -7.861  1.000 25.490  0 31  PHE AAA HE2  1 c 1 
ATOM   438  H HZ   . PHE A 1 31  ? -3.742  14.528 -6.172  1.000 25.183  0 31  PHE AAA HZ   1 c 1 
ATOM   439  N N    . SER A 1 32  ? -2.547  19.878 -9.700  1.000 24.410  0 32  SER AAA N    1 ? 1 
ATOM   440  C CA   . SER A 1 32  ? -1.089  20.032 -9.384  1.000 26.778  0 32  SER AAA CA   1 ? 1 
ATOM   441  C C    . SER A 1 32  ? -0.748  21.361 -8.681  1.000 24.717  0 32  SER AAA C    1 ? 1 
ATOM   442  O O    . SER A 1 32  ? 0.149   21.363 -7.866  1.000 28.045  0 32  SER AAA O    1 ? 1 
ATOM   443  C CB   . SER A 1 32  ? -0.305  19.918 -10.659 1.000 30.057  0 32  SER AAA CB   1 ? 1 
ATOM   444  O OG   . SER A 1 32  ? -0.758  18.722 -11.322 1.000 34.993  0 32  SER AAA OG   1 ? 1 
ATOM   445  H H    . SER A 1 32  ? -2.697  19.863 -10.598 1.000 25.010  0 32  SER AAA H    1 c 1 
ATOM   446  H HA   . SER A 1 32  ? -0.827  19.288 -8.786  1.000 26.263  0 32  SER AAA HA   1 c 1 
ATOM   447  H HB2  . SER A 1 32  ? -0.465  20.705 -11.228 1.000 30.661  0 32  SER AAA HB2  1 c 1 
ATOM   448  H HB3  . SER A 1 32  ? 0.657   19.856 -10.462 1.000 30.547  0 32  SER AAA HB3  1 c 1 
ATOM   449  H HG   . SER A 1 32  ? -0.343  18.668 -12.063 0.000 36.030  0 32  SER AAA HG   1 c 1 
ATOM   450  N N    . ILE A 1 33  ? -1.497  22.414 -8.959  1.000 25.048  0 33  ILE AAA N    1 ? 1 
ATOM   451  C CA   . ILE A 1 33  ? -1.301  23.784 -8.376  1.000 26.389  0 33  ILE AAA CA   1 ? 1 
ATOM   452  C C    . ILE A 1 33  ? -2.234  23.953 -7.159  1.000 21.487  0 33  ILE AAA C    1 ? 1 
ATOM   453  O O    . ILE A 1 33  ? -2.339  25.076 -6.682  1.000 19.358  0 33  ILE AAA O    1 ? 1 
ATOM   454  C CB   . ILE A 1 33  ? -1.583  24.953 -9.395  1.000 30.029  0 33  ILE AAA CB   1 ? 1 
ATOM   455  C CG1  . ILE A 1 33  ? -2.904  24.783 -10.135 1.000 32.806  0 33  ILE AAA CG1  1 ? 1 
ATOM   456  C CG2  . ILE A 1 33  ? -0.476  25.290 -10.373 1.000 35.946  0 33  ILE AAA CG2  1 ? 1 
ATOM   457  C CD1  . ILE A 1 33  ? -3.564  26.063 -10.628 1.000 37.797  0 33  ILE AAA CD1  1 ? 1 
ATOM   458  H H    . ILE A 1 33  ? -2.198  22.369 -9.536  1.000 25.425  0 33  ILE AAA H    1 c 1 
ATOM   459  H HA   . ILE A 1 33  ? -0.380  23.860 -8.071  1.000 25.842  0 33  ILE AAA HA   1 c 1 
ATOM   460  H HB   . ILE A 1 33  ? -1.696  25.763 -8.842  1.000 30.643  0 33  ILE AAA HB   1 c 1 
ATOM   461  H HG12 . ILE A 1 33  ? -2.750  24.202 -10.909 1.000 33.353  0 33  ILE AAA HG12 1 c 1 
ATOM   462  H HG13 . ILE A 1 33  ? -3.534  24.323 -9.542  1.000 32.778  0 33  ILE AAA HG13 1 c 1 
ATOM   463  H HG21 . ILE A 1 33  ? 0.340   25.498 -9.884  1.000 34.203  0 33  ILE AAA HG21 1 c 1 
ATOM   464  H HG22 . ILE A 1 33  ? -0.734  26.059 -10.909 1.000 34.440  0 33  ILE AAA HG22 1 c 1 
ATOM   465  H HG23 . ILE A 1 33  ? -0.316  24.529 -10.956 1.000 34.314  0 33  ILE AAA HG23 1 c 1 
ATOM   466  H HD11 . ILE A 1 33  ? -3.667  26.679 -9.883  1.000 36.059  0 33  ILE AAA HD11 1 c 1 
ATOM   467  H HD12 . ILE A 1 33  ? -4.435  25.857 -10.995 1.000 36.410  0 33  ILE AAA HD12 1 c 1 
ATOM   468  H HD13 . ILE A 1 33  ? -3.010  26.475 -11.314 1.000 36.637  0 33  ILE AAA HD13 1 c 1 
ATOM   469  N N    . SER A 1 34  ? -2.966  22.938 -6.759  1.000 19.114  0 34  SER AAA N    1 ? 1 
ATOM   470  C CA   . SER A 1 34  ? -4.039  23.053 -5.737  1.000 17.831  0 34  SER AAA CA   1 ? 1 
ATOM   471  C C    . SER A 1 34  ? -3.625  22.283 -4.497  1.000 17.606  0 34  SER AAA C    1 ? 1 
ATOM   472  O O    . SER A 1 34  ? -3.233  21.108 -4.610  1.000 17.679  0 34  SER AAA O    1 ? 1 
ATOM   473  C CB   . SER A 1 34  ? -5.373  22.626 -6.263  1.000 18.065  0 34  SER AAA CB   1 ? 1 
ATOM   474  O OG   . SER A 1 34  ? -5.909  23.492 -7.260  1.000 18.463  0 34  SER AAA OG   1 ? 1 
ATOM   475  H H    . SER A 1 34  ? -2.872  22.088 -7.069  1.000 19.356  0 34  SER AAA H    1 c 1 
ATOM   476  H HA   . SER A 1 34  ? -4.110  24.011 -5.485  1.000 18.117  0 34  SER AAA HA   1 c 1 
ATOM   477  H HB2  . SER A 1 34  ? -5.289  21.721 -6.640  1.000 18.032  0 34  SER AAA HB2  1 c 1 
ATOM   478  H HB3  . SER A 1 34  ? -6.007  22.577 -5.513  1.000 17.866  0 34  SER AAA HB3  1 c 1 
ATOM   479  H HG   . SER A 1 34  ? -6.628  23.187 -7.524  0.000 18.570  0 34  SER AAA HG   1 c 1 
ATOM   480  N N    . ALA A 1 35  ? -3.786  22.899 -3.328  1.000 17.512  0 35  ALA AAA N    1 ? 1 
ATOM   481  C CA   . ALA A 1 35  ? -3.912  22.232 -2.020  1.000 17.772  0 35  ALA AAA CA   1 ? 1 
ATOM   482  C C    . ALA A 1 35  ? -5.086  21.234 -2.048  1.000 18.279  0 35  ALA AAA C    1 ? 1 
ATOM   483  O O    . ALA A 1 35  ? -6.156  21.571 -2.556  1.000 17.928  0 35  ALA AAA O    1 ? 1 
ATOM   484  C CB   . ALA A 1 35  ? -4.044  23.222 -0.890  1.000 17.447  0 35  ALA AAA CB   1 ? 1 
ATOM   485  H H    . ALA A 1 35  ? -3.828  23.807 -3.253  1.000 17.703  0 35  ALA AAA H    1 c 1 
ATOM   486  H HA   . ALA A 1 35  ? -3.086  21.718 -1.875  1.000 17.773  0 35  ALA AAA HA   1 c 1 
ATOM   487  H HB1  . ALA A 1 35  ? -4.222  22.747 -0.061  1.000 17.452  0 35  ALA AAA HB1  1 c 1 
ATOM   488  H HB2  . ALA A 1 35  ? -3.218  23.726 -0.802  1.000 17.685  0 35  ALA AAA HB2  1 c 1 
ATOM   489  H HB3  . ALA A 1 35  ? -4.777  23.833 -1.076  1.000 17.573  0 35  ALA AAA HB3  1 c 1 
ATOM   490  N N    . MET A 1 36  ? -4.822  20.034 -1.504  1.000 19.490  0 36  MET AAA N    1 ? 1 
ATOM   491  C CA   . MET A 1 36  ? -5.756  18.881 -1.437  1.000 19.172  0 36  MET AAA CA   1 ? 1 
ATOM   492  C C    . MET A 1 36  ? -5.900  18.417 -0.009  1.000 18.728  0 36  MET AAA C    1 ? 1 
ATOM   493  O O    . MET A 1 36  ? -5.037  18.661 0.823   1.000 18.628  0 36  MET AAA O    1 ? 1 
ATOM   494  C CB   . MET A 1 36  ? -5.354  17.706 -2.310  1.000 19.402  0 36  MET AAA CB   1 ? 1 
ATOM   495  C CG   . MET A 1 36  ? -5.271  18.029 -3.734  1.000 20.907  0 36  MET AAA CG   1 ? 1 
ATOM   496  S SD   . MET A 1 36  ? -6.827  18.664 -4.567  1.000 26.471  0 36  MET AAA SD   1 ? 1 
ATOM   497  C CE   . MET A 1 36  ? -7.829  17.198 -4.492  1.000 27.958  0 36  MET AAA CE   1 ? 1 
ATOM   498  H H    . MET A 1 36  ? -4.015  19.850 -1.124  1.000 19.130  0 36  MET AAA H    1 c 1 
ATOM   499  H HA   . MET A 1 36  ? -6.638  19.201 -1.734  1.000 19.228  0 36  MET AAA HA   1 c 1 
ATOM   500  H HB2  . MET A 1 36  ? -4.484  17.376 -2.008  1.000 19.650  0 36  MET AAA HB2  1 c 1 
ATOM   501  H HB3  . MET A 1 36  ? -6.004  16.987 -2.185  1.000 19.594  0 36  MET AAA HB3  1 c 1 
ATOM   502  H HG2  . MET A 1 36  ? -4.569  18.703 -3.855  1.000 21.810  0 36  MET AAA HG2  1 c 1 
ATOM   503  H HG3  . MET A 1 36  ? -4.981  17.223 -4.214  1.000 21.760  0 36  MET AAA HG3  1 c 1 
ATOM   504  H HE1  . MET A 1 36  ? -8.691  17.378 -4.886  1.000 27.620  0 36  MET AAA HE1  1 c 1 
ATOM   505  H HE2  . MET A 1 36  ? -7.397  16.487 -4.977  1.000 27.490  0 36  MET AAA HE2  1 c 1 
ATOM   506  H HE3  . MET A 1 36  ? -7.945  16.935 -3.571  1.000 27.286  0 36  MET AAA HE3  1 c 1 
ATOM   507  N N    . GLY A 1 37  ? -7.061  17.835 0.291   1.000 18.878  0 37  GLY AAA N    1 ? 1 
ATOM   508  C CA   . GLY A 1 37  ? -7.298  17.340 1.653   1.000 18.993  0 37  GLY AAA CA   1 ? 1 
ATOM   509  C C    . GLY A 1 37  ? -8.137  16.089 1.644   1.000 18.653  0 37  GLY AAA C    1 ? 1 
ATOM   510  O O    . GLY A 1 37  ? -8.882  15.851 0.685   1.000 19.005  0 37  GLY AAA O    1 ? 1 
ATOM   511  H H    . GLY A 1 37  ? -7.739  17.719 -0.307  1.000 18.900  0 37  GLY AAA H    1 c 1 
ATOM   512  H HA2  . GLY A 1 37  ? -6.429  17.147 2.082   1.000 18.881  0 37  GLY AAA HA2  1 c 1 
ATOM   513  H HA3  . GLY A 1 37  ? -7.758  18.042 2.178   1.000 18.951  0 37  GLY AAA HA3  1 c 1 
ATOM   514  N N    . TRP A 1 38  ? -8.021  15.364 2.735   1.000 18.228  0 38  TRP AAA N    1 ? 1 
ATOM   515  C CA   . TRP A 1 38  ? -8.866  14.226 3.084   1.000 18.123  0 38  TRP AAA CA   1 ? 1 
ATOM   516  C C    . TRP A 1 38  ? -9.836  14.716 4.162   1.000 18.863  0 38  TRP AAA C    1 ? 1 
ATOM   517  O O    . TRP A 1 38  ? -9.446  15.317 5.174   1.000 19.823  0 38  TRP AAA O    1 ? 1 
ATOM   518  C CB   . TRP A 1 38  ? -8.018  13.027 3.526   1.000 18.915  0 38  TRP AAA CB   1 ? 1 
ATOM   519  C CG   . TRP A 1 38  ? -7.434  12.228 2.408   1.000 18.955  0 38  TRP AAA CG   1 ? 1 
ATOM   520  C CD1  . TRP A 1 38  ? -6.165  12.309 1.924   1.000 20.990  0 38  TRP AAA CD1  1 ? 1 
ATOM   521  C CD2  . TRP A 1 38  ? -8.111  11.254 1.584   1.000 19.617  0 38  TRP AAA CD2  1 ? 1 
ATOM   522  N NE1  . TRP A 1 38  ? -6.001  11.436 0.877   1.000 20.332  0 38  TRP AAA NE1  1 ? 1 
ATOM   523  C CE2  . TRP A 1 38  ? -7.172  10.799 0.628   1.000 20.472  0 38  TRP AAA CE2  1 ? 1 
ATOM   524  C CE3  . TRP A 1 38  ? -9.412  10.737 1.537   1.000 19.782  0 38  TRP AAA CE3  1 ? 1 
ATOM   525  C CZ2  . TRP A 1 38  ? -7.466  9.806  -0.298  1.000 21.759  0 38  TRP AAA CZ2  1 ? 1 
ATOM   526  C CZ3  . TRP A 1 38  ? -9.724  9.817  0.558   1.000 20.945  0 38  TRP AAA CZ3  1 ? 1 
ATOM   527  C CH2  . TRP A 1 38  ? -8.752  9.323  -0.305  1.000 19.222  0 38  TRP AAA CH2  1 ? 1 
ATOM   528  H H    . TRP A 1 38  ? -7.387  15.534 3.367   1.000 18.330  0 38  TRP AAA H    1 c 1 
ATOM   529  H HA   . TRP A 1 38  ? -9.374  13.963 2.283   1.000 18.425  0 38  TRP AAA HA   1 c 1 
ATOM   530  H HB2  . TRP A 1 38  ? -7.291  13.358 4.093   1.000 18.785  0 38  TRP AAA HB2  1 c 1 
ATOM   531  H HB3  . TRP A 1 38  ? -8.579  12.442 4.074   1.000 18.812  0 38  TRP AAA HB3  1 c 1 
ATOM   532  H HD1  . TRP A 1 38  ? -5.481  12.857 2.275   1.000 20.357  0 38  TRP AAA HD1  1 c 1 
ATOM   533  H HE1  . TRP A 1 38  ? -5.252  11.309 0.440   1.000 20.485  0 38  TRP AAA HE1  1 c 1 
ATOM   534  H HE3  . TRP A 1 38  ? -10.072 11.041 2.141   1.000 20.126  0 38  TRP AAA HE3  1 c 1 
ATOM   535  H HZ2  . TRP A 1 38  ? -6.825  9.516  -0.923  1.000 20.754  0 38  TRP AAA HZ2  1 c 1 
ATOM   536  H HZ3  . TRP A 1 38  ? -10.586 9.432  0.545   1.000 20.396  0 38  TRP AAA HZ3  1 c 1 
ATOM   537  H HH2  . TRP A 1 38  ? -8.997  8.687  -0.953  1.000 20.260  0 38  TRP AAA HH2  1 c 1 
ATOM   538  N N    . TYR A 1 39  ? -11.107 14.464 3.872   1.000 20.197  0 39  TYR AAA N    1 ? 1 
ATOM   539  C CA   . TYR A 1 39  ? -12.301 14.788 4.664   1.000 19.812  0 39  TYR AAA CA   1 ? 1 
ATOM   540  C C    . TYR A 1 39  ? -12.899 13.475 5.118   1.000 21.165  0 39  TYR AAA C    1 ? 1 
ATOM   541  O O    . TYR A 1 39  ? -12.723 12.469 4.453   1.000 20.524  0 39  TYR AAA O    1 ? 1 
ATOM   542  C CB   . TYR A 1 39  ? -13.323 15.566 3.825   1.000 20.295  0 39  TYR AAA CB   1 ? 1 
ATOM   543  C CG   . TYR A 1 39  ? -12.871 16.914 3.307   1.000 19.739  0 39  TYR AAA CG   1 ? 1 
ATOM   544  C CD1  . TYR A 1 39  ? -11.988 16.998 2.234   1.000 19.924  0 39  TYR AAA CD1  1 ? 1 
ATOM   545  C CD2  . TYR A 1 39  ? -13.292 18.104 3.908   1.000 20.580  0 39  TYR AAA CD2  1 ? 1 
ATOM   546  C CE1  . TYR A 1 39  ? -11.555 18.227 1.727   1.000 19.113  0 39  TYR AAA CE1  1 ? 1 
ATOM   547  C CE2  . TYR A 1 39  ? -12.839 19.328 3.457   1.000 20.395  0 39  TYR AAA CE2  1 ? 1 
ATOM   548  C CZ   . TYR A 1 39  ? -11.980 19.400 2.353   1.000 19.592  0 39  TYR AAA CZ   1 ? 1 
ATOM   549  O OH   . TYR A 1 39  ? -11.593 20.636 1.914   1.000 18.141  0 39  TYR AAA OH   1 ? 1 
ATOM   550  H H    . TYR A 1 39  ? -11.338 14.038 3.101   1.000 19.725  0 39  TYR AAA H    1 c 1 
ATOM   551  H HA   . TYR A 1 39  ? -12.041 15.323 5.454   1.000 20.289  0 39  TYR AAA HA   1 c 1 
ATOM   552  H HB2  . TYR A 1 39  ? -13.574 15.008 3.060   1.000 20.115  0 39  TYR AAA HB2  1 c 1 
ATOM   553  H HB3  . TYR A 1 39  ? -14.128 15.696 4.369   1.000 20.350  0 39  TYR AAA HB3  1 c 1 
ATOM   554  H HD1  . TYR A 1 39  ? -11.705 16.204 1.810   1.000 19.543  0 39  TYR AAA HD1  1 c 1 
ATOM   555  H HD2  . TYR A 1 39  ? -13.867 18.069 4.655   1.000 20.540  0 39  TYR AAA HD2  1 c 1 
ATOM   556  H HE1  . TYR A 1 39  ? -10.964 18.263 0.993   1.000 19.304  0 39  TYR AAA HE1  1 c 1 
ATOM   557  H HE2  . TYR A 1 39  ? -13.145 20.121 3.862   1.000 20.415  0 39  TYR AAA HE2  1 c 1 
ATOM   558  H HH   . TYR A 1 39  ? -11.075 20.533 1.236   0.000 18.070  0 39  TYR AAA HH   1 c 1 
ATOM   559  N N    . ARG A 1 40  ? -13.673 13.520 6.206   1.000 21.583  0 40  ARG AAA N    1 ? 1 
ATOM   560  C CA   . ARG A 1 40  ? -14.410 12.318 6.653   1.000 22.688  0 40  ARG AAA CA   1 ? 1 
ATOM   561  C C    . ARG A 1 40  ? -15.775 12.745 7.186   1.000 24.770  0 40  ARG AAA C    1 ? 1 
ATOM   562  O O    . ARG A 1 40  ? -15.920 13.874 7.714   1.000 22.945  0 40  ARG AAA O    1 ? 1 
ATOM   563  C CB   . ARG A 1 40  ? -13.643 11.522 7.705   1.000 24.365  0 40  ARG AAA CB   1 ? 1 
ATOM   564  C CG   . ARG A 1 40  ? -13.617 12.132 9.093   1.000 24.923  0 40  ARG AAA CG   1 ? 1 
ATOM   565  C CD   . ARG A 1 40  ? -12.839 11.141 9.911   1.000 26.008  0 40  ARG AAA CD   1 ? 1 
ATOM   566  N NE   . ARG A 1 40  ? -12.515 11.697 11.178  1.000 26.697  0 40  ARG AAA NE   1 ? 1 
ATOM   567  C CZ   . ARG A 1 40  ? -11.696 11.165 12.067  1.000 29.359  0 40  ARG AAA CZ   1 ? 1 
ATOM   568  N NH1  . ARG A 1 40  ? -11.061 10.023 11.849  1.000 27.815  0 40  ARG AAA NH1  1 ? 1 
ATOM   569  N NH2  . ARG A 1 40  ? -11.520 11.823 13.202  1.000 30.896  0 40  ARG AAA NH2  1 ? 1 
ATOM   570  H H    . ARG A 1 40  ? -13.786 14.263 6.720   1.000 21.880  0 40  ARG AAA H    1 c 1 
ATOM   571  H HA   . ARG A 1 40  ? -14.552 11.742 5.871   1.000 23.054  0 40  ARG AAA HA   1 c 1 
ATOM   572  H HB2  . ARG A 1 40  ? -14.041 10.629 7.763   1.000 24.134  0 40  ARG AAA HB2  1 c 1 
ATOM   573  H HB3  . ARG A 1 40  ? -12.720 11.416 7.393   1.000 23.776  0 40  ARG AAA HB3  1 c 1 
ATOM   574  H HG2  . ARG A 1 40  ? -13.164 13.002 9.084   1.000 25.040  0 40  ARG AAA HG2  1 c 1 
ATOM   575  H HG3  . ARG A 1 40  ? -14.524 12.233 9.451   1.000 25.402  0 40  ARG AAA HG3  1 c 1 
ATOM   576  H HD2  . ARG A 1 40  ? -13.372 10.327 10.035  1.000 25.988  0 40  ARG AAA HD2  1 c 1 
ATOM   577  H HD3  . ARG A 1 40  ? -12.013 10.900 9.439   1.000 25.584  0 40  ARG AAA HD3  1 c 1 
ATOM   578  H HE   . ARG A 1 40  ? -12.899 12.449 11.393  1.000 27.429  0 40  ARG AAA HE   1 c 1 
ATOM   579  H HH11 . ARG A 1 40  ? -11.180 9.587  11.097  1.000 28.018  0 40  ARG AAA HH11 1 c 1 
ATOM   580  H HH12 . ARG A 1 40  ? -10.521 9.700  12.463  1.000 28.410  0 40  ARG AAA HH12 1 c 1 
ATOM   581  H HH21 . ARG A 1 40  ? -11.942 12.584 13.342  1.000 30.437  0 40  ARG AAA HH21 1 c 1 
ATOM   582  H HH22 . ARG A 1 40  ? -10.977 11.500 13.816  1.000 30.504  0 40  ARG AAA HH22 1 c 1 
ATOM   583  N N    . GLN A 1 41  ? -16.782 11.907 6.966   1.000 26.848  0 41  GLN AAA N    1 ? 1 
ATOM   584  C CA   . GLN A 1 41  ? -18.099 12.119 7.585   1.000 30.171  0 41  GLN AAA CA   1 ? 1 
ATOM   585  C C    . GLN A 1 41  ? -18.525 10.837 8.310   1.000 31.377  0 41  GLN AAA C    1 ? 1 
ATOM   586  O O    . GLN A 1 41  ? -18.683 9.823  7.619   1.000 28.302  0 41  GLN AAA O    1 ? 1 
ATOM   587  C CB   . GLN A 1 41  ? -19.116 12.509 6.542   1.000 33.612  0 41  GLN AAA CB   1 ? 1 
ATOM   588  C CG   . GLN A 1 41  ? -20.446 12.856 7.161   1.000 38.457  0 41  GLN AAA CG   1 ? 1 
ATOM   589  C CD   . GLN A 1 41  ? -21.172 13.705 6.161   1.000 43.163  0 41  GLN AAA CD   1 ? 1 
ATOM   590  O OE1  . GLN A 1 41  ? -20.990 13.553 4.945   1.000 47.739  0 41  GLN AAA OE1  1 ? 1 
ATOM   591  N NE2  . GLN A 1 41  ? -21.891 14.681 6.681   1.000 46.566  0 41  GLN AAA NE2  1 ? 1 
ATOM   592  H H    . GLN A 1 41  ? -16.721 11.170 6.433   1.000 26.906  0 41  GLN AAA H    1 c 1 
ATOM   593  H HA   . GLN A 1 41  ? -18.025 12.846 8.243   1.000 30.471  0 41  GLN AAA HA   1 c 1 
ATOM   594  H HB2  . GLN A 1 41  ? -18.774 13.280 6.043   1.000 33.578  0 41  GLN AAA HB2  1 c 1 
ATOM   595  H HB3  . GLN A 1 41  ? -19.231 11.765 5.915   1.000 33.717  0 41  GLN AAA HB3  1 c 1 
ATOM   596  H HG2  . GLN A 1 41  ? -20.959 12.041 7.349   1.000 38.652  0 41  GLN AAA HG2  1 c 1 
ATOM   597  H HG3  . GLN A 1 41  ? -20.314 13.351 7.997   1.000 38.473  0 41  GLN AAA HG3  1 c 1 
ATOM   598  H HE21 . GLN A 1 41  ? -22.150 15.358 6.174   1.000 45.737  0 41  GLN AAA HE21 1 c 1 
ATOM   599  H HE22 . GLN A 1 41  ? -22.118 14.659 7.537   1.000 45.837  0 41  GLN AAA HE22 1 c 1 
ATOM   600  N N    . ALA A 1 42  ? -18.556 10.914 9.648   1.000 33.596  0 42  ALA AAA N    1 ? 1 
ATOM   601  C CA   . ALA A 1 42  ? -19.006 9.852  10.581  1.000 40.110  0 42  ALA AAA CA   1 ? 1 
ATOM   602  C C    . ALA A 1 42  ? -20.531 9.833  10.575  1.000 42.403  0 42  ALA AAA C    1 ? 1 
ATOM   603  O O    . ALA A 1 42  ? -21.174 10.850 10.266  1.000 39.725  0 42  ALA AAA O    1 ? 1 
ATOM   604  C CB   . ALA A 1 42  ? -18.426 10.085 11.968  1.000 39.879  0 42  ALA AAA CB   1 ? 1 
ATOM   605  H H    . ALA A 1 42  ? -18.290 11.662 10.095  1.000 34.448  0 42  ALA AAA H    1 c 1 
ATOM   606  H HA   . ALA A 1 42  ? -18.679 8.987  10.242  1.000 38.918  0 42  ALA AAA HA   1 c 1 
ATOM   607  H HB1  . ALA A 1 42  ? -18.779 9.421  12.584  1.000 40.382  0 42  ALA AAA HB1  1 c 1 
ATOM   608  H HB2  . ALA A 1 42  ? -17.458 10.010 11.933  1.000 39.660  0 42  ALA AAA HB2  1 c 1 
ATOM   609  H HB3  . ALA A 1 42  ? -18.670 10.973 12.277  1.000 40.236  0 42  ALA AAA HB3  1 c 1 
ATOM   610  N N    . PRO A 1 43  ? -21.162 8.687  10.936  1.000 49.613  0 43  PRO AAA N    1 ? 1 
ATOM   611  C CA   . PRO A 1 43  ? -22.619 8.634  10.965  1.000 52.771  0 43  PRO AAA CA   1 ? 1 
ATOM   612  C C    . PRO A 1 43  ? -23.101 9.514  12.140  1.000 51.605  0 43  PRO AAA C    1 ? 1 
ATOM   613  O O    . PRO A 1 43  ? -22.524 9.465  13.254  1.000 51.512  0 43  PRO AAA O    1 ? 1 
ATOM   614  C CB   . PRO A 1 43  ? -22.951 7.136  11.064  1.000 59.127  0 43  PRO AAA CB   1 ? 1 
ATOM   615  C CG   . PRO A 1 43  ? -21.608 6.397  11.300  1.000 57.292  0 43  PRO AAA CG   1 ? 1 
ATOM   616  C CD   . PRO A 1 43  ? -20.512 7.431  11.369  1.000 52.594  0 43  PRO AAA CD   1 ? 1 
ATOM   617  H HA   . PRO A 1 43  ? -22.974 8.988  10.111  1.000 52.966  0 43  PRO AAA HA   1 c 1 
ATOM   618  H HB2  . PRO A 1 43  ? -23.568 6.969  11.809  1.000 57.887  0 43  PRO AAA HB2  1 c 1 
ATOM   619  H HB3  . PRO A 1 43  ? -23.374 6.822  10.236  1.000 57.383  0 43  PRO AAA HB3  1 c 1 
ATOM   620  H HG2  . PRO A 1 43  ? -21.643 5.885  12.134  1.000 56.856  0 43  PRO AAA HG2  1 c 1 
ATOM   621  H HG3  . PRO A 1 43  ? -21.434 5.773  10.565  1.000 56.319  0 43  PRO AAA HG3  1 c 1 
ATOM   622  H HD2  . PRO A 1 43  ? -20.169 7.514  12.278  1.000 52.848  0 43  PRO AAA HD2  1 c 1 
ATOM   623  H HD3  . PRO A 1 43  ? -19.775 7.195  10.775  1.000 52.220  0 43  PRO AAA HD3  1 c 1 
ATOM   624  N N    . GLY A 1 44  ? -24.048 10.401 11.834  1.000 49.064  0 44  GLY AAA N    1 ? 1 
ATOM   625  C CA   . GLY A 1 44  ? -24.595 11.390 12.785  1.000 51.253  0 44  GLY AAA CA   1 ? 1 
ATOM   626  C C    . GLY A 1 44  ? -23.749 12.640 12.937  1.000 50.004  0 44  GLY AAA C    1 ? 1 
ATOM   627  O O    . GLY A 1 44  ? -24.084 13.509 13.789  1.000 46.487  0 44  GLY AAA O    1 ? 1 
ATOM   628  H H    . GLY A 1 44  ? -24.420 10.444 11.003  1.000 50.139  0 44  GLY AAA H    1 c 1 
ATOM   629  H HA2  . GLY A 1 44  ? -25.501 11.651 12.482  1.000 51.159  0 44  GLY AAA HA2  1 c 1 
ATOM   630  H HA3  . GLY A 1 44  ? -24.691 10.958 13.671  1.000 51.044  0 44  GLY AAA HA3  1 c 1 
ATOM   631  N N    . LYS A 1 45  ? -22.694 12.780 12.139  1.000 48.754  0 45  LYS AAA N    1 ? 1 
ATOM   632  C CA   . LYS A 1 45  ? -21.776 13.923 12.312  1.000 48.595  0 45  LYS AAA CA   1 ? 1 
ATOM   633  C C    . LYS A 1 45  ? -21.629 14.711 10.999  1.000 47.673  0 45  LYS AAA C    1 ? 1 
ATOM   634  O O    . LYS A 1 45  ? -21.967 14.178 9.880   1.000 43.209  0 45  LYS AAA O    1 ? 1 
ATOM   635  C CB   . LYS A 1 45  ? -20.490 13.396 12.932  1.000 50.343  0 45  LYS AAA CB   1 ? 1 
ATOM   636  C CG   . LYS A 1 45  ? -20.696 12.635 14.233  1.000 54.056  0 45  LYS AAA CG   1 ? 1 
ATOM   637  C CD   . LYS A 1 45  ? -19.393 12.307 14.894  1.000 57.950  0 45  LYS AAA CD   1 ? 1 
ATOM   638  C CE   . LYS A 1 45  ? -18.409 13.460 14.842  1.000 59.305  0 45  LYS AAA CE   1 ? 1 
ATOM   639  N NZ   . LYS A 1 45  ? -17.284 13.277 15.792  1.000 62.675  0 45  LYS AAA NZ   1 ? 1 
ATOM   640  H H    . LYS A 1 45  ? -22.486 12.214 11.458  1.000 48.605  0 45  LYS AAA H    1 c 1 
ATOM   641  H HA   . LYS A 1 45  ? -22.187 14.532 12.967  1.000 49.277  0 45  LYS AAA HA   1 c 1 
ATOM   642  H HB2  . LYS A 1 45  ? -20.051 12.805 12.287  1.000 50.115  0 45  LYS AAA HB2  1 c 1 
ATOM   643  H HB3  . LYS A 1 45  ? -19.898 14.157 13.096  1.000 50.410  0 45  LYS AAA HB3  1 c 1 
ATOM   644  H HG2  . LYS A 1 45  ? -21.241 13.179 14.841  1.000 54.721  0 45  LYS AAA HG2  1 c 1 
ATOM   645  H HG3  . LYS A 1 45  ? -21.183 11.804 14.047  1.000 54.365  0 45  LYS AAA HG3  1 c 1 
ATOM   646  H HD2  . LYS A 1 45  ? -19.560 12.072 15.832  1.000 57.787  0 45  LYS AAA HD2  1 c 1 
ATOM   647  H HD3  . LYS A 1 45  ? -18.996 11.527 14.453  1.000 56.946  0 45  LYS AAA HD3  1 c 1 
ATOM   648  H HE2  . LYS A 1 45  ? -18.044 13.538 13.940  1.000 59.119  0 45  LYS AAA HE2  1 c 1 
ATOM   649  H HE3  . LYS A 1 45  ? -18.869 14.293 15.057  1.000 59.872  0 45  LYS AAA HE3  1 c 1 
ATOM   650  H HZ1  . LYS A 1 45  ? -17.605 13.182 16.635  1.000 62.099  0 45  LYS AAA HZ1  1 c 1 
ATOM   651  H HZ2  . LYS A 1 45  ? -16.736 13.999 15.762  1.000 61.450  0 45  LYS AAA HZ2  1 c 1 
ATOM   652  H HZ3  . LYS A 1 45  ? -16.811 12.535 15.569  1.000 61.369  0 45  LYS AAA HZ3  1 c 1 
ATOM   653  N N    . GLN A 1 46  ? -21.186 15.962 11.158  1.000 46.051  0 46  GLN AAA N    1 ? 1 
ATOM   654  C CA   . GLN A 1 46  ? -20.830 16.889 10.066  1.000 46.185  0 46  GLN AAA CA   1 ? 1 
ATOM   655  C C    . GLN A 1 46  ? -19.499 16.430 9.437   1.000 41.481  0 46  GLN AAA C    1 ? 1 
ATOM   656  O O    . GLN A 1 46  ? -18.599 15.931 10.180  1.000 34.841  0 46  GLN AAA O    1 ? 1 
ATOM   657  C CB   . GLN A 1 46  ? -20.720 18.280 10.667  1.000 51.874  0 46  GLN AAA CB   1 ? 1 
ATOM   658  C CG   . GLN A 1 46  ? -21.139 19.407 9.742   1.000 62.157  0 46  GLN AAA CG   1 ? 1 
ATOM   659  C CD   . GLN A 1 46  ? -20.732 20.726 10.369  1.000 70.147  0 46  GLN AAA CD   1 ? 1 
ATOM   660  O OE1  . GLN A 1 46  ? -20.928 20.945 11.572  1.000 77.677  0 46  GLN AAA OE1  1 ? 1 
ATOM   661  N NE2  . GLN A 1 46  ? -20.128 21.604 9.575   1.000 67.774  0 46  GLN AAA NE2  1 ? 1 
ATOM   662  H H    . GLN A 1 46  ? -21.059 16.319 11.986  1.000 46.761  0 46  GLN AAA H    1 c 1 
ATOM   663  H HA   . GLN A 1 46  ? -21.541 16.875 9.384   1.000 46.481  0 46  GLN AAA HA   1 c 1 
ATOM   664  H HB2  . GLN A 1 46  ? -21.277 18.315 11.472  1.000 53.157  0 46  GLN AAA HB2  1 c 1 
ATOM   665  H HB3  . GLN A 1 46  ? -19.791 18.425 10.943  1.000 52.338  0 46  GLN AAA HB3  1 c 1 
ATOM   666  H HG2  . GLN A 1 46  ? -20.703 19.303 8.869   1.000 60.871  0 46  GLN AAA HG2  1 c 1 
ATOM   667  H HG3  . GLN A 1 46  ? -22.111 19.387 9.609   1.000 61.712  0 46  GLN AAA HG3  1 c 1 
ATOM   668  H HE21 . GLN A 1 46  ? -19.668 22.273 9.925   1.000 68.338  0 46  GLN AAA HE21 1 c 1 
ATOM   669  H HE22 . GLN A 1 46  ? -20.187 21.521 8.696   1.000 68.187  0 46  GLN AAA HE22 1 c 1 
ATOM   670  N N    . ARG A 1 47  ? -19.405 16.527 8.114   1.000 37.564  0 47  ARG AAA N    1 ? 1 
ATOM   671  C CA   . ARG A 1 47  ? -18.135 16.328 7.396   1.000 37.257  0 47  ARG AAA CA   1 ? 1 
ATOM   672  C C    . ARG A 1 47  ? -17.058 17.261 7.974   1.000 35.568  0 47  ARG AAA C    1 ? 1 
ATOM   673  O O    . ARG A 1 47  ? -17.350 18.453 8.205   1.000 37.346  0 47  ARG AAA O    1 ? 1 
ATOM   674  C CB   . ARG A 1 47  ? -18.326 16.558 5.903   1.000 39.226  0 47  ARG AAA CB   1 ? 1 
ATOM   675  C CG   . ARG A 1 47  ? -17.160 16.054 5.074   1.000 40.766  0 47  ARG AAA CG   1 ? 1 
ATOM   676  C CD   . ARG A 1 47  ? -17.526 16.288 3.634   1.000 45.307  0 47  ARG AAA CD   1 ? 1 
ATOM   677  N NE   . ARG A 1 47  ? -18.219 15.183 2.995   1.000 45.646  0 47  ARG AAA NE   1 ? 1 
ATOM   678  C CZ   . ARG A 1 47  ? -19.082 15.316 2.010   1.000 45.425  0 47  ARG AAA CZ   1 ? 1 
ATOM   679  N NH1  . ARG A 1 47  ? -19.495 16.510 1.614   1.000 53.952  0 47  ARG AAA NH1  1 ? 1 
ATOM   680  N NH2  . ARG A 1 47  ? -19.630 14.255 1.497   1.000 45.963  0 47  ARG AAA NH2  1 ? 1 
ATOM   681  H H    . ARG A 1 47  ? -20.116 16.722 7.578   1.000 38.741  0 47  ARG AAA H    1 c 1 
ATOM   682  H HA   . ARG A 1 47  ? -17.851 15.398 7.535   1.000 37.111  0 47  ARG AAA HA   1 c 1 
ATOM   683  H HB2  . ARG A 1 47  ? -19.144 16.102 5.614   1.000 39.498  0 47  ARG AAA HB2  1 c 1 
ATOM   684  H HB3  . ARG A 1 47  ? -18.441 17.519 5.745   1.000 39.285  0 47  ARG AAA HB3  1 c 1 
ATOM   685  H HG2  . ARG A 1 47  ? -16.342 16.548 5.298   1.000 41.010  0 47  ARG AAA HG2  1 c 1 
ATOM   686  H HG3  . ARG A 1 47  ? -17.015 15.098 5.235   1.000 41.193  0 47  ARG AAA HG3  1 c 1 
ATOM   687  H HD2  . ARG A 1 47  ? -18.086 17.091 3.582   1.000 44.493  0 47  ARG AAA HD2  1 c 1 
ATOM   688  H HD3  . ARG A 1 47  ? -16.704 16.473 3.131   1.000 43.890  0 47  ARG AAA HD3  1 c 1 
ATOM   689  H HE   . ARG A 1 47  ? -17.986 14.374 3.221   1.000 45.418  0 47  ARG AAA HE   1 c 1 
ATOM   690  H HH11 . ARG A 1 47  ? -19.134 17.237 1.945   1.000 50.648  0 47  ARG AAA HH11 1 c 1 
ATOM   691  H HH12 . ARG A 1 47  ? -20.087 16.573 0.967   1.000 51.122  0 47  ARG AAA HH12 1 c 1 
ATOM   692  H HH21 . ARG A 1 47  ? -19.393 13.461 1.777   1.000 45.850  0 47  ARG AAA HH21 1 c 1 
ATOM   693  H HH22 . ARG A 1 47  ? -20.239 14.336 0.865   1.000 46.401  0 47  ARG AAA HH22 1 c 1 
ATOM   694  N N    . GLU A 1 48  ? -15.841 16.748 8.143   1.000 31.229  0 48  GLU AAA N    1 ? 1 
ATOM   695  C CA   . GLU A 1 48  ? -14.699 17.471 8.758   1.000 31.479  0 48  GLU AAA CA   1 ? 1 
ATOM   696  C C    . GLU A 1 48  ? -13.441 17.214 7.917   1.000 28.534  0 48  GLU AAA C    1 ? 1 
ATOM   697  O O    . GLU A 1 48  ? -13.244 16.082 7.455   1.000 25.956  0 48  GLU AAA O    1 ? 1 
ATOM   698  C CB   . GLU A 1 48  ? -14.464 17.065 10.222  1.000 34.560  0 48  GLU AAA CB   1 ? 1 
ATOM   699  C CG   . GLU A 1 48  ? -14.335 15.561 10.483  1.000 39.961  0 48  GLU AAA CG   1 ? 1 
ATOM   700  C CD   . GLU A 1 48  ? -13.731 15.100 11.831  1.000 46.059  0 48  GLU AAA CD   1 ? 1 
ATOM   701  O OE1  . GLU A 1 48  ? -12.940 15.866 12.464  1.000 55.157  0 48  GLU AAA OE1  1 ? 1 
ATOM   702  O OE2  . GLU A 1 48  ? -13.963 13.942 12.216  1.000 44.278  0 48  GLU AAA OE2  1 ? 1 
ATOM   703  H H    . GLU A 1 48  ? -15.633 15.899 7.885   1.000 32.074  0 48  GLU AAA H    1 c 1 
ATOM   704  H HA   . GLU A 1 48  ? -14.897 18.435 8.730   1.000 31.545  0 48  GLU AAA HA   1 c 1 
ATOM   705  H HB2  . GLU A 1 48  ? -13.646 17.506 10.533  1.000 34.985  0 48  GLU AAA HB2  1 c 1 
ATOM   706  H HB3  . GLU A 1 48  ? -15.207 17.411 10.758  1.000 35.406  0 48  GLU AAA HB3  1 c 1 
ATOM   707  H HG2  . GLU A 1 48  ? -15.228 15.162 10.408  1.000 40.021  0 48  GLU AAA HG2  1 c 1 
ATOM   708  H HG3  . GLU A 1 48  ? -13.790 15.171 9.769   1.000 39.419  0 48  GLU AAA HG3  1 c 1 
ATOM   709  N N    . LEU A 1 49  ? -12.591 18.239 7.760   1.000 28.526  0 49  LEU AAA N    1 ? 1 
ATOM   710  C CA   . LEU A 1 49  ? -11.266 18.115 7.124   1.000 25.000  0 49  LEU AAA CA   1 ? 1 
ATOM   711  C C    . LEU A 1 49  ? -10.333 17.490 8.164   1.000 23.764  0 49  LEU AAA C    1 ? 1 
ATOM   712  O O    . LEU A 1 49  ? -10.226 18.018 9.226   1.000 23.939  0 49  LEU AAA O    1 ? 1 
ATOM   713  C CB   . LEU A 1 49  ? -10.799 19.493 6.679   1.000 24.484  0 49  LEU AAA CB   1 ? 1 
ATOM   714  C CG   . LEU A 1 49  ? -9.404  19.539 6.065   1.000 24.766  0 49  LEU AAA CG   1 ? 1 
ATOM   715  C CD1  . LEU A 1 49  ? -9.313  18.720 4.797   1.000 22.787  0 49  LEU AAA CD1  1 ? 1 
ATOM   716  C CD2  . LEU A 1 49  ? -9.013  20.993 5.826   1.000 26.387  0 49  LEU AAA CD2  1 ? 1 
ATOM   717  H H    . LEU A 1 49  ? -12.785 19.082 8.045   1.000 27.846  0 49  LEU AAA H    1 c 1 
ATOM   718  H HA   . LEU A 1 49  ? -11.339 17.515 6.347   1.000 25.066  0 49  LEU AAA HA   1 c 1 
ATOM   719  H HB2  . LEU A 1 49  ? -11.438 19.840 6.025   1.000 24.731  0 49  LEU AAA HB2  1 c 1 
ATOM   720  H HB3  . LEU A 1 49  ? -10.816 20.090 7.454   1.000 24.913  0 49  LEU AAA HB3  1 c 1 
ATOM   721  H HG   . LEU A 1 49  ? -8.768  19.159 6.719   1.000 24.646  0 49  LEU AAA HG   1 c 1 
ATOM   722  H HD11 . LEU A 1 49  ? -9.467  17.783 5.002   1.000 23.285  0 49  LEU AAA HD11 1 c 1 
ATOM   723  H HD12 . LEU A 1 49  ? -8.427  18.824 4.407   1.000 23.216  0 49  LEU AAA HD12 1 c 1 
ATOM   724  H HD13 . LEU A 1 49  ? -9.982  19.028 4.163   1.000 23.321  0 49  LEU AAA HD13 1 c 1 
ATOM   725  H HD21 . LEU A 1 49  ? -9.646  21.401 5.212   1.000 25.888  0 49  LEU AAA HD21 1 c 1 
ATOM   726  H HD22 . LEU A 1 49  ? -8.119  21.030 5.443   1.000 25.797  0 49  LEU AAA HD22 1 c 1 
ATOM   727  H HD23 . LEU A 1 49  ? -9.024  21.476 6.671   1.000 26.067  0 49  LEU AAA HD23 1 c 1 
ATOM   728  N N    . VAL A 1 50  ? -9.643  16.418 7.839   1.000 23.472  0 50  VAL AAA N    1 ? 1 
ATOM   729  C CA   . VAL A 1 50  ? -8.711  15.797 8.810   1.000 23.751  0 50  VAL AAA CA   1 ? 1 
ATOM   730  C C    . VAL A 1 50  ? -7.242  16.047 8.463   1.000 22.203  0 50  VAL AAA C    1 ? 1 
ATOM   731  O O    . VAL A 1 50  ? -6.419  16.057 9.402   1.000 21.616  0 50  VAL AAA O    1 ? 1 
ATOM   732  C CB   . VAL A 1 50  ? -9.060  14.319 8.999   1.000 25.072  0 50  VAL AAA CB   1 ? 1 
ATOM   733  C CG1  . VAL A 1 50  ? -10.480 14.196 9.559   1.000 27.855  0 50  VAL AAA CG1  1 ? 1 
ATOM   734  C CG2  . VAL A 1 50  ? -8.841  13.443 7.781   1.000 25.791  0 50  VAL AAA CG2  1 ? 1 
ATOM   735  H H    . VAL A 1 50  ? -9.698  16.000 7.033   1.000 23.363  0 50  VAL AAA H    1 c 1 
ATOM   736  H HA   . VAL A 1 50  ? -8.868  16.229 9.668   1.000 23.938  0 50  VAL AAA HA   1 c 1 
ATOM   737  H HB   . VAL A 1 50  ? -8.451  13.981 9.701   1.000 25.625  0 50  VAL AAA HB   1 c 1 
ATOM   738  H HG11 . VAL A 1 50  ? -10.559 14.733 10.367  1.000 27.282  0 50  VAL AAA HG11 1 c 1 
ATOM   739  H HG12 . VAL A 1 50  ? -10.666 13.265 9.771   1.000 27.102  0 50  VAL AAA HG12 1 c 1 
ATOM   740  H HG13 . VAL A 1 50  ? -11.120 14.511 8.898   1.000 26.952  0 50  VAL AAA HG13 1 c 1 
ATOM   741  H HG21 . VAL A 1 50  ? -9.516  13.644 7.110   1.000 25.363  0 50  VAL AAA HG21 1 c 1 
ATOM   742  H HG22 . VAL A 1 50  ? -8.912  12.507 8.039   1.000 25.514  0 50  VAL AAA HG22 1 c 1 
ATOM   743  H HG23 . VAL A 1 50  ? -7.957  13.610 7.412   1.000 25.357  0 50  VAL AAA HG23 1 c 1 
ATOM   744  N N    . ALA A 1 51  ? -6.934  16.221 7.178   1.000 20.391  0 51  ALA AAA N    1 ? 1 
ATOM   745  C CA   . ALA A 1 51  ? -5.557  16.371 6.660   1.000 19.197  0 51  ALA AAA CA   1 ? 1 
ATOM   746  C C    . ALA A 1 51  ? -5.591  17.153 5.349   1.000 19.047  0 51  ALA AAA C    1 ? 1 
ATOM   747  O O    . ALA A 1 51  ? -6.438  16.847 4.463   1.000 18.335  0 51  ALA AAA O    1 ? 1 
ATOM   748  C CB   . ALA A 1 51  ? -4.930  15.035 6.447   1.000 18.778  0 51  ALA AAA CB   1 ? 1 
ATOM   749  H H    . ALA A 1 51  ? -7.556  16.251 6.514   1.000 20.342  0 51  ALA AAA H    1 c 1 
ATOM   750  H HA   . ALA A 1 51  ? -5.026  16.873 7.318   1.000 19.556  0 51  ALA AAA HA   1 c 1 
ATOM   751  H HB1  . ALA A 1 51  ? -4.024  15.150 6.114   1.000 18.933  0 51  ALA AAA HB1  1 c 1 
ATOM   752  H HB2  . ALA A 1 51  ? -4.905  14.549 7.289   1.000 19.050  0 51  ALA AAA HB2  1 c 1 
ATOM   753  H HB3  . ALA A 1 51  ? -5.450  14.530 5.799   1.000 18.728  0 51  ALA AAA HB3  1 c 1 
ATOM   754  N N    . ALA A 1 52  ? -4.641  18.074 5.222   1.000 19.541  0 52  ALA AAA N    1 ? 1 
ATOM   755  C CA   . ALA A 1 52  ? -4.461  18.942 4.040   1.000 18.955  0 52  ALA AAA CA   1 ? 1 
ATOM   756  C C    . ALA A 1 52  ? -2.968  19.023 3.714   1.000 18.938  0 52  ALA AAA C    1 ? 1 
ATOM   757  O O    . ALA A 1 52  ? -2.083  18.905 4.612   1.000 19.827  0 52  ALA AAA O    1 ? 1 
ATOM   758  C CB   . ALA A 1 52  ? -5.132  20.307 4.196   1.000 19.131  0 52  ALA AAA CB   1 ? 1 
ATOM   759  H H    . ALA A 1 52  ? -4.022  18.243 5.870   1.000 19.504  0 52  ALA AAA H    1 c 1 
ATOM   760  H HA   . ALA A 1 52  ? -4.896  18.489 3.283   1.000 18.903  0 52  ALA AAA HA   1 c 1 
ATOM   761  H HB1  . ALA A 1 52  ? -4.988  20.834 3.392   1.000 19.074  0 52  ALA AAA HB1  1 c 1 
ATOM   762  H HB2  . ALA A 1 52  ? -6.086  20.187 4.337   1.000 19.052  0 52  ALA AAA HB2  1 c 1 
ATOM   763  H HB3  . ALA A 1 52  ? -4.749  20.772 4.959   1.000 19.258  0 52  ALA AAA HB3  1 c 1 
ATOM   764  N N    . ILE A 1 53  ? -2.710  19.259 2.437   1.000 19.393  0 53  ILE AAA N    1 ? 1 
ATOM   765  C CA   . ILE A 1 53  ? -1.347  19.283 1.864   1.000 18.669  0 53  ILE AAA CA   1 ? 1 
ATOM   766  C C    . ILE A 1 53  ? -1.283  20.353 0.766   1.000 18.997  0 53  ILE AAA C    1 ? 1 
ATOM   767  O O    . ILE A 1 53  ? -2.205  20.442 -0.083  1.000 17.653  0 53  ILE AAA O    1 ? 1 
ATOM   768  C CB   . ILE A 1 53  ? -0.921  17.876 1.377   1.000 18.480  0 53  ILE AAA CB   1 ? 1 
ATOM   769  C CG1  . ILE A 1 53  ? 0.568   17.836 1.118   1.000 19.521  0 53  ILE AAA CG1  1 ? 1 
ATOM   770  C CG2  . ILE A 1 53  ? -1.727  17.308 0.224   1.000 17.970  0 53  ILE AAA CG2  1 ? 1 
ATOM   771  C CD1  . ILE A 1 53  ? 1.128   16.392 0.975   1.000 20.698  0 53  ILE AAA CD1  1 ? 1 
ATOM   772  H H    . ILE A 1 53  ? -3.365  19.421 1.824   1.000 18.940  0 53  ILE AAA H    1 c 1 
ATOM   773  H HA   . ILE A 1 53  ? -0.735  19.547 2.572   1.000 19.065  0 53  ILE AAA HA   1 c 1 
ATOM   774  H HB   . ILE A 1 53  ? -1.077  17.269 2.142   1.000 18.554  0 53  ILE AAA HB   1 c 1 
ATOM   775  H HG12 . ILE A 1 53  ? 0.760   18.334 0.295   1.000 19.671  0 53  ILE AAA HG12 1 c 1 
ATOM   776  H HG13 . ILE A 1 53  ? 1.032   18.283 1.858   1.000 19.798  0 53  ILE AAA HG13 1 c 1 
ATOM   777  H HG21 . ILE A 1 53  ? -2.676  17.441 0.393   1.000 17.923  0 53  ILE AAA HG21 1 c 1 
ATOM   778  H HG22 . ILE A 1 53  ? -1.546  16.355 0.137   1.000 18.061  0 53  ILE AAA HG22 1 c 1 
ATOM   779  H HG23 . ILE A 1 53  ? -1.480  17.760 -0.601  1.000 18.159  0 53  ILE AAA HG23 1 c 1 
ATOM   780  H HD11 . ILE A 1 53  ? 0.851   15.858 1.740   1.000 20.284  0 53  ILE AAA HD11 1 c 1 
ATOM   781  H HD12 . ILE A 1 53  ? 2.099   16.422 0.937   1.000 20.650  0 53  ILE AAA HD12 1 c 1 
ATOM   782  H HD13 . ILE A 1 53  ? 0.787   15.988 0.158   1.000 20.220  0 53  ILE AAA HD13 1 c 1 
ATOM   783  N N    . THR A 1 54  ? -0.188  21.081 0.744   1.000 18.962  0 54  THR AAA N    1 ? 1 
ATOM   784  C CA   . THR A 1 54  ? 0.058   22.140 -0.248  1.000 18.096  0 54  THR AAA CA   1 ? 1 
ATOM   785  C C    . THR A 1 54  ? 0.219   21.478 -1.612  1.000 18.387  0 54  THR AAA C    1 ? 1 
ATOM   786  O O    . THR A 1 54  ? 0.493   20.256 -1.697  1.000 17.716  0 54  THR AAA O    1 ? 1 
ATOM   787  C CB   . THR A 1 54  ? 1.291   23.015 0.071   1.000 19.596  0 54  THR AAA CB   1 ? 1 
ATOM   788  O OG1  . THR A 1 54  ? 2.426   22.133 0.138   1.000 18.623  0 54  THR AAA OG1  1 ? 1 
ATOM   789  C CG2  . THR A 1 54  ? 1.080   23.827 1.332   1.000 20.237  0 54  THR AAA CG2  1 ? 1 
ATOM   790  H H    . THR A 1 54  ? 0.498   20.983 1.336   1.000 18.974  0 54  THR AAA H    1 c 1 
ATOM   791  H HA   . THR A 1 54  ? -0.737  22.721 -0.275  1.000 18.420  0 54  THR AAA HA   1 c 1 
ATOM   792  H HB   . THR A 1 54  ? 1.424   23.639 -0.681  1.000 19.362  0 54  THR AAA HB   1 c 1 
ATOM   793  H HG1  . THR A 1 54  ? 3.126   22.580 0.339   0.000 17.870  0 54  THR AAA HG1  1 c 1 
ATOM   794  H HG21 . THR A 1 54  ? 0.311   24.413 1.217   1.000 19.913  0 54  THR AAA HG21 1 c 1 
ATOM   795  H HG22 . THR A 1 54  ? 1.872   24.365 1.510   1.000 20.383  0 54  THR AAA HG22 1 c 1 
ATOM   796  H HG23 . THR A 1 54  ? 0.919   23.228 2.083   1.000 20.001  0 54  THR AAA HG23 1 c 1 
ATOM   797  N N    . SER A 1 55  ? 0.131   22.302 -2.660  1.000 18.017  0 55  SER AAA N    1 ? 1 
ATOM   798  C CA   . SER A 1 55  ? 0.511   21.961 -4.044  1.000 18.209  0 55  SER AAA CA   1 ? 1 
ATOM   799  C C    . SER A 1 55  ? 1.894   21.262 -4.052  1.000 19.836  0 55  SER AAA C    1 ? 1 
ATOM   800  O O    . SER A 1 55  ? 2.092   20.282 -4.802  1.000 19.341  0 55  SER AAA O    1 ? 1 
ATOM   801  C CB   . SER A 1 55  ? 0.470   23.232 -4.904  1.000 18.472  0 55  SER AAA CB   1 ? 1 
ATOM   802  O OG   . SER A 1 55  ? 1.406   24.165 -4.471  1.000 18.340  0 55  SER AAA OG   1 ? 1 
ATOM   803  H H    . SER A 1 55  ? -0.179  23.155 -2.589  1.000 18.139  0 55  SER AAA H    1 c 1 
ATOM   804  H HA   . SER A 1 55  ? -0.162  21.321 -4.399  1.000 18.300  0 55  SER AAA HA   1 c 1 
ATOM   805  H HB2  . SER A 1 55  ? 0.653   22.997 -5.841  1.000 18.575  0 55  SER AAA HB2  1 c 1 
ATOM   806  H HB3  . SER A 1 55  ? -0.431  23.627 -4.859  1.000 18.217  0 55  SER AAA HB3  1 c 1 
ATOM   807  H HG   . SER A 1 55  ? 1.369   24.858 -4.963  0.000 17.480  0 55  SER AAA HG   1 c 1 
ATOM   808  N N    . GLY A 1 56  ? 2.819   21.711 -3.213  1.000 20.232  0 56  GLY AAA N    1 ? 1 
ATOM   809  C CA   . GLY A 1 56  ? 4.224   21.304 -3.346  1.000 20.171  0 56  GLY AAA CA   1 ? 1 
ATOM   810  C C    . GLY A 1 56  ? 4.445   19.948 -2.677  1.000 21.207  0 56  GLY AAA C    1 ? 1 
ATOM   811  O O    . GLY A 1 56  ? 5.375   19.268 -3.033  1.000 20.770  0 56  GLY AAA O    1 ? 1 
ATOM   812  H H    . GLY A 1 56  ? 2.643   22.294 -2.537  1.000 19.998  0 56  GLY AAA H    1 c 1 
ATOM   813  H HA2  . GLY A 1 56  ? 4.462   21.246 -4.306  1.000 20.750  0 56  GLY AAA HA2  1 c 1 
ATOM   814  H HA3  . GLY A 1 56  ? 4.803   21.984 -2.918  1.000 20.805  0 56  GLY AAA HA3  1 c 1 
ATOM   815  N N    . GLY A 1 57  ? 3.603   19.571 -1.733  1.000 20.271  0 57  GLY AAA N    1 ? 1 
ATOM   816  C CA   . GLY A 1 57  ? 3.665   18.255 -1.111  1.000 20.851  0 57  GLY AAA CA   1 ? 1 
ATOM   817  C C    . GLY A 1 57  ? 4.475   18.258 0.150   1.000 22.540  0 57  GLY AAA C    1 ? 1 
ATOM   818  O O    . GLY A 1 57  ? 4.548   17.222 0.766   1.000 23.991  0 57  GLY AAA O    1 ? 1 
ATOM   819  H H    . GLY A 1 57  ? 2.946   20.114 -1.412  1.000 20.346  0 57  GLY AAA H    1 c 1 
ATOM   820  H HA2  . GLY A 1 57  ? 2.744   17.956 -0.905  1.000 20.655  0 57  GLY AAA HA2  1 c 1 
ATOM   821  H HA3  . GLY A 1 57  ? 4.057   17.611 -1.751  1.000 21.135  0 57  GLY AAA HA3  1 c 1 
ATOM   822  N N    . GLY A 1 58  ? 5.043   19.389 0.535   1.000 25.706  0 58  GLY AAA N    1 ? 1 
ATOM   823  C CA   . GLY A 1 58  ? 6.028   19.471 1.628   1.000 27.113  0 58  GLY AAA CA   1 ? 1 
ATOM   824  C C    . GLY A 1 58  ? 5.482   20.149 2.868   1.000 28.963  0 58  GLY AAA C    1 ? 1 
ATOM   825  O O    . GLY A 1 58  ? 6.283   20.432 3.768   1.000 29.224  0 58  GLY AAA O    1 ? 1 
ATOM   826  H H    . GLY A 1 58  ? 4.848   20.191 0.152   1.000 25.135  0 58  GLY AAA H    1 c 1 
ATOM   827  H HA2  . GLY A 1 58  ? 6.327   18.558 1.863   1.000 27.420  0 58  GLY AAA HA2  1 c 1 
ATOM   828  H HA3  . GLY A 1 58  ? 6.818   19.974 1.306   1.000 27.727  0 58  GLY AAA HA3  1 c 1 
ATOM   829  N N    . ASP A 1 59  ? 4.195   20.471 2.899   1.000 27.014  0 59  ASP AAA N    1 ? 1 
ATOM   830  C CA   . ASP A 1 59  ? 3.599   21.282 3.983   1.000 26.518  0 59  ASP AAA CA   1 ? 1 
ATOM   831  C C    . ASP A 1 59  ? 2.176   20.776 4.203   1.000 25.064  0 59  ASP AAA C    1 ? 1 
ATOM   832  O O    . ASP A 1 59  ? 1.466   20.577 3.198   1.000 24.900  0 59  ASP AAA O    1 ? 1 
ATOM   833  C CB   . ASP A 1 59  ? 3.683   22.776 3.651   1.000 26.867  0 59  ASP AAA CB   1 ? 1 
ATOM   834  C CG   . ASP A 1 59  ? 3.346   23.712 4.817   1.000 30.207  0 59  ASP AAA CG   1 ? 1 
ATOM   835  O OD1  . ASP A 1 59  ? 3.253   23.235 5.948   1.000 31.092  0 59  ASP AAA OD1  1 ? 1 
ATOM   836  O OD2  . ASP A 1 59  ? 3.200   24.925 4.597   1.000 34.532  0 59  ASP AAA OD2  1 ? 1 
ATOM   837  H H    . ASP A 1 59  ? 3.602   20.212 2.258   1.000 26.911  0 59  ASP AAA H    1 c 1 
ATOM   838  H HA   . ASP A 1 59  ? 4.116   21.121 4.807   1.000 26.796  0 59  ASP AAA HA   1 c 1 
ATOM   839  H HB2  . ASP A 1 59  ? 4.592   22.980 3.349   1.000 27.871  0 59  ASP AAA HB2  1 c 1 
ATOM   840  H HB3  . ASP A 1 59  ? 3.070   22.969 2.915   1.000 27.184  0 59  ASP AAA HB3  1 c 1 
ATOM   841  N N    . THR A 1 60  ? 1.823   20.522 5.464   1.000 25.574  0 60  THR AAA N    1 ? 1 
ATOM   842  C CA   . THR A 1 60  ? 0.614   19.746 5.834   1.000 26.964  0 60  THR AAA CA   1 ? 1 
ATOM   843  C C    . THR A 1 60  ? -0.044  20.375 7.057   1.000 29.095  0 60  THR AAA C    1 ? 1 
ATOM   844  O O    . THR A 1 60  ? 0.608   21.179 7.821   1.000 28.093  0 60  THR AAA O    1 ? 1 
ATOM   845  C CB   . THR A 1 60  ? 0.875   18.253 6.061   1.000 29.037  0 60  THR AAA CB   1 ? 1 
ATOM   846  O OG1  . THR A 1 60  ? 1.881   18.149 7.048   1.000 31.157  0 60  THR AAA OG1  1 ? 1 
ATOM   847  C CG2  . THR A 1 60  ? 1.324   17.474 4.850   1.000 28.116  0 60  THR AAA CG2  1 ? 1 
ATOM   848  H H    . THR A 1 60  ? 2.298   20.804 6.188   1.000 26.197  0 60  THR AAA H    1 c 1 
ATOM   849  H HA   . THR A 1 60  ? -0.016  19.826 5.085   1.000 27.038  0 60  THR AAA HA   1 c 1 
ATOM   850  H HB   . THR A 1 60  ? 0.046   17.845 6.409   1.000 28.579  0 60  THR AAA HB   1 c 1 
ATOM   851  H HG1  . THR A 1 60  ? 2.072   17.328 7.235   0.000 31.750  0 60  THR AAA HG1  1 c 1 
ATOM   852  H HG21 . THR A 1 60  ? 0.664   17.566 4.140   1.000 28.046  0 60  THR AAA HG21 1 c 1 
ATOM   853  H HG22 . THR A 1 60  ? 1.419   16.533 5.084   1.000 28.378  0 60  THR AAA HG22 1 c 1 
ATOM   854  H HG23 . THR A 1 60  ? 2.181   17.818 4.540   1.000 28.603  0 60  THR AAA HG23 1 c 1 
ATOM   855  N N    . ASN A 1 61  ? -1.329  20.104 7.150   1.000 26.442  0 61  ASN AAA N    1 ? 1 
ATOM   856  C CA   . ASN A 1 61  ? -2.151  20.494 8.307   1.000 29.305  0 61  ASN AAA CA   1 ? 1 
ATOM   857  C C    . ASN A 1 61  ? -2.980  19.260 8.664   1.000 26.410  0 61  ASN AAA C    1 ? 1 
ATOM   858  O O    . ASN A 1 61  ? -3.475  18.611 7.748   1.000 24.590  0 61  ASN AAA O    1 ? 1 
ATOM   859  C CB   . ASN A 1 61  ? -2.948  21.740 7.924   1.000 31.519  0 61  ASN AAA CB   1 ? 1 
ATOM   860  C CG   . ASN A 1 61  ? -3.639  22.464 9.061   1.000 38.942  0 61  ASN AAA CG   1 ? 1 
ATOM   861  O OD1  . ASN A 1 61  ? -3.288  22.322 10.243  1.000 42.372  0 61  ASN AAA OD1  1 ? 1 
ATOM   862  N ND2  . ASN A 1 61  ? -4.626  23.269 8.684   1.000 41.808  0 61  ASN AAA ND2  1 ? 1 
ATOM   863  H H    . ASN A 1 61  ? -1.790  19.662 6.500   1.000 27.328  0 61  ASN AAA H    1 c 1 
ATOM   864  H HA   . ASN A 1 61  ? -1.560  20.720 9.062   1.000 28.995  0 61  ASN AAA HA   1 c 1 
ATOM   865  H HB2  . ASN A 1 61  ? -2.340  22.368 7.483   1.000 32.532  0 61  ASN AAA HB2  1 c 1 
ATOM   866  H HB3  . ASN A 1 61  ? -3.625  21.478 7.267   1.000 32.223  0 61  ASN AAA HB3  1 c 1 
ATOM   867  H HD21 . ASN A 1 61  ? -5.179  23.603 9.287   1.000 40.986  0 61  ASN AAA HD21 1 c 1 
ATOM   868  H HD22 . ASN A 1 61  ? -4.730  23.473 7.829   1.000 40.606  0 61  ASN AAA HD22 1 c 1 
ATOM   869  N N    . TYR A 1 62  ? -3.118  18.967 9.955   1.000 27.945  0 62  TYR AAA N    1 ? 1 
ATOM   870  C CA   . TYR A 1 62  ? -3.954  17.836 10.458  1.000 26.689  0 62  TYR AAA CA   1 ? 1 
ATOM   871  C C    . TYR A 1 62  ? -4.895  18.302 11.568  1.000 27.385  0 62  TYR AAA C    1 ? 1 
ATOM   872  O O    . TYR A 1 62  ? -4.540  19.161 12.355  1.000 27.342  0 62  TYR AAA O    1 ? 1 
ATOM   873  C CB   . TYR A 1 62  ? -3.064  16.728 11.014  1.000 26.217  0 62  TYR AAA CB   1 ? 1 
ATOM   874  C CG   . TYR A 1 62  ? -2.147  16.104 10.002  1.000 24.565  0 62  TYR AAA CG   1 ? 1 
ATOM   875  C CD1  . TYR A 1 62  ? -2.549  15.012 9.251   1.000 23.179  0 62  TYR AAA CD1  1 ? 1 
ATOM   876  C CD2  . TYR A 1 62  ? -0.859  16.591 9.825   1.000 27.162  0 62  TYR AAA CD2  1 ? 1 
ATOM   877  C CE1  . TYR A 1 62  ? -1.689  14.467 8.309   1.000 24.473  0 62  TYR AAA CE1  1 ? 1 
ATOM   878  C CE2  . TYR A 1 62  ? 0.022   16.029 8.901   1.000 26.306  0 62  TYR AAA CE2  1 ? 1 
ATOM   879  C CZ   . TYR A 1 62  ? -0.395  14.949 8.152   1.000 24.456  0 62  TYR AAA CZ   1 ? 1 
ATOM   880  O OH   . TYR A 1 62  ? 0.494   14.418 7.246   1.000 24.031  0 62  TYR AAA OH   1 ? 1 
ATOM   881  H H    . TYR A 1 62  ? -2.715  19.433 10.625  1.000 27.684  0 62  TYR AAA H    1 c 1 
ATOM   882  H HA   . TYR A 1 62  ? -4.491  17.475 9.712   1.000 26.528  0 62  TYR AAA HA   1 c 1 
ATOM   883  H HB2  . TYR A 1 62  ? -2.527  17.100 11.742  1.000 26.435  0 62  TYR AAA HB2  1 c 1 
ATOM   884  H HB3  . TYR A 1 62  ? -3.639  16.030 11.393  1.000 26.048  0 62  TYR AAA HB3  1 c 1 
ATOM   885  H HD1  . TYR A 1 62  ? -3.423  14.670 9.345   1.000 23.723  0 62  TYR AAA HD1  1 c 1 
ATOM   886  H HD2  . TYR A 1 62  ? -0.571  17.324 10.344  1.000 26.560  0 62  TYR AAA HD2  1 c 1 
ATOM   887  H HE1  . TYR A 1 62  ? -1.969  13.723 7.802   1.000 23.936  0 62  TYR AAA HE1  1 c 1 
ATOM   888  H HE2  . TYR A 1 62  ? 0.892   16.376 8.797   1.000 26.300  0 62  TYR AAA HE2  1 c 1 
ATOM   889  H HH   . TYR A 1 62  ? 0.144   13.765 6.831   0.000 23.450  0 62  TYR AAA HH   1 c 1 
ATOM   890  N N    . ALA A 1 63  ? -6.092  17.742 11.588  1.000 29.108  0 63  ALA AAA N    1 ? 1 
ATOM   891  C CA   . ALA A 1 63  ? -6.979  17.710 12.767  1.000 28.407  0 63  ALA AAA CA   1 ? 1 
ATOM   892  C C    . ALA A 1 63  ? -6.185  17.069 13.925  1.000 28.775  0 63  ALA AAA C    1 ? 1 
ATOM   893  O O    . ALA A 1 63  ? -5.434  16.061 13.739  1.000 26.860  0 63  ALA AAA O    1 ? 1 
ATOM   894  C CB   . ALA A 1 63  ? -8.253  16.980 12.418  1.000 26.984  0 63  ALA AAA CB   1 ? 1 
ATOM   895  H H    . ALA A 1 63  ? -6.463  17.333 10.864  1.000 28.094  0 63  ALA AAA H    1 c 1 
ATOM   896  H HA   . ALA A 1 63  ? -7.202  18.637 13.015  1.000 28.497  0 63  ALA AAA HA   1 c 1 
ATOM   897  H HB1  . ALA A 1 63  ? -8.830  16.941 13.200  1.000 27.661  0 63  ALA AAA HB1  1 c 1 
ATOM   898  H HB2  . ALA A 1 63  ? -8.712  17.452 11.703  1.000 27.133  0 63  ALA AAA HB2  1 c 1 
ATOM   899  H HB3  . ALA A 1 63  ? -8.042  16.077 12.127  1.000 27.216  0 63  ALA AAA HB3  1 c 1 
ATOM   900  N N    . ASP A 1 64  ? -6.235  17.686 15.101  1.000 31.696  0 64  ASP AAA N    1 ? 1 
ATOM   901  C CA   . ASP A 1 64  ? -5.494  17.206 16.297  1.000 35.505  0 64  ASP AAA CA   1 ? 1 
ATOM   902  C C    . ASP A 1 64  ? -5.838  15.727 16.596  1.000 34.378  0 64  ASP AAA C    1 ? 1 
ATOM   903  O O    . ASP A 1 64  ? -4.955  15.010 17.084  1.000 33.321  0 64  ASP AAA O    1 ? 1 
ATOM   904  C CB   . ASP A 1 64  ? -5.780  18.122 17.483  1.000 42.398  0 64  ASP AAA CB   1 ? 1 
ATOM   905  C CG   . ASP A 1 64  ? -4.523  18.612 18.195  1.000 48.924  0 64  ASP AAA CG   1 ? 1 
ATOM   906  O OD1  . ASP A 1 64  ? -3.656  19.282 17.550  1.000 55.089  0 64  ASP AAA OD1  1 ? 1 
ATOM   907  O OD2  . ASP A 1 64  ? -4.446  18.366 19.391  1.000 53.350  0 64  ASP AAA OD2  1 ? 1 
ATOM   908  H H    . ASP A 1 64  ? -6.730  18.438 15.241  1.000 31.927  0 64  ASP AAA H    1 c 1 
ATOM   909  H HA   . ASP A 1 64  ? -4.531  17.261 16.095  1.000 35.785  0 64  ASP AAA HA   1 c 1 
ATOM   910  H HB2  . ASP A 1 64  ? -6.280  18.906 17.179  1.000 41.854  0 64  ASP AAA HB2  1 c 1 
ATOM   911  H HB3  . ASP A 1 64  ? -6.333  17.642 18.132  1.000 42.344  0 64  ASP AAA HB3  1 c 1 
ATOM   912  N N    . SER A 1 65  ? -7.056  15.270 16.274  1.000 32.295  0 65  SER AAA N    1 ? 1 
ATOM   913  C CA   . SER A 1 65  ? -7.589  13.908 16.537  1.000 32.755  0 65  SER AAA CA   1 ? 1 
ATOM   914  C C    . SER A 1 65  ? -6.890  12.839 15.706  1.000 31.547  0 65  SER AAA C    1 ? 1 
ATOM   915  O O    . SER A 1 65  ? -6.986  11.640 16.077  1.000 32.307  0 65  SER AAA O    1 ? 1 
ATOM   916  C CB   . SER A 1 65  ? -9.031  13.853 16.283  1.000 32.994  0 65  SER AAA CB   1 ? 1 
ATOM   917  O OG   . SER A 1 65  ? -9.280  13.938 14.890  1.000 37.905  0 65  SER AAA OG   1 ? 1 
ATOM   918  H H    . SER A 1 65  ? -7.675  15.796 15.861  1.000 32.592  0 65  SER AAA H    1 c 1 
ATOM   919  H HA   . SER A 1 65  ? -7.434  13.702 17.498  1.000 33.097  0 65  SER AAA HA   1 c 1 
ATOM   920  H HB2  . SER A 1 65  ? -9.395  13.009 16.634  1.000 34.291  0 65  SER AAA HB2  1 c 1 
ATOM   921  H HB3  . SER A 1 65  ? -9.477  14.598 16.746  1.000 34.374  0 65  SER AAA HB3  1 c 1 
ATOM   922  H HG   . SER A 1 65  ? -10.138 13.852 14.751  0.000 41.000  0 65  SER AAA HG   1 c 1 
ATOM   923  N N    . VAL A 1 66  ? -6.195  13.222 14.625  1.000 29.537  0 66  VAL AAA N    1 ? 1 
ATOM   924  C CA   . VAL A 1 66  ? -5.524  12.251 13.699  1.000 27.971  0 66  VAL AAA CA   1 ? 1 
ATOM   925  C C    . VAL A 1 66  ? -4.034  12.548 13.568  1.000 26.430  0 66  VAL AAA C    1 ? 1 
ATOM   926  O O    . VAL A 1 66  ? -3.328  11.704 13.050  1.000 28.260  0 66  VAL AAA O    1 ? 1 
ATOM   927  C CB   . VAL A 1 66  ? -6.196  12.254 12.325  1.000 27.203  0 66  VAL AAA CB   1 ? 1 
ATOM   928  C CG1  . VAL A 1 66  ? -7.690  12.054 12.458  1.000 27.053  0 66  VAL AAA CG1  1 ? 1 
ATOM   929  C CG2  . VAL A 1 66  ? -5.871  13.512 11.543  1.000 27.664  0 66  VAL AAA CG2  1 ? 1 
ATOM   930  H H    . VAL A 1 66  ? -6.131  14.088 14.358  1.000 29.498  0 66  VAL AAA H    1 c 1 
ATOM   931  H HA   . VAL A 1 66  ? -5.618  11.359 14.077  1.000 28.000  0 66  VAL AAA HA   1 c 1 
ATOM   932  H HB   . VAL A 1 66  ? -5.835  11.486 11.822  1.000 27.191  0 66  VAL AAA HB   1 c 1 
ATOM   933  H HG11 . VAL A 1 66  ? -7.867  11.328 13.081  1.000 27.338  0 66  VAL AAA HG11 1 c 1 
ATOM   934  H HG12 . VAL A 1 66  ? -8.067  11.835 11.588  1.000 26.791  0 66  VAL AAA HG12 1 c 1 
ATOM   935  H HG13 . VAL A 1 66  ? -8.099  12.872 12.790  1.000 27.243  0 66  VAL AAA HG13 1 c 1 
ATOM   936  H HG21 . VAL A 1 66  ? -6.105  14.294 12.072  1.000 27.628  0 66  VAL AAA HG21 1 c 1 
ATOM   937  H HG22 . VAL A 1 66  ? -6.382  13.519 10.715  1.000 27.133  0 66  VAL AAA HG22 1 c 1 
ATOM   938  H HG23 . VAL A 1 66  ? -4.922  13.533 11.334  1.000 27.455  0 66  VAL AAA HG23 1 c 1 
ATOM   939  N N    . LYS A 1 67  ? -3.579  13.675 14.081  1.000 27.923  0 67  LYS AAA N    1 ? 1 
ATOM   940  C CA   . LYS A 1 67  ? -2.194  14.185 13.969  1.000 31.085  0 67  LYS AAA CA   1 ? 1 
ATOM   941  C C    . LYS A 1 67  ? -1.233  13.125 14.536  1.000 31.738  0 67  LYS AAA C    1 ? 1 
ATOM   942  O O    . LYS A 1 67  ? -1.525  12.589 15.600  1.000 33.402  0 67  LYS AAA O    1 ? 1 
ATOM   943  C CB   . LYS A 1 67  ? -2.140  15.556 14.645  1.000 32.450  0 67  LYS AAA CB   1 ? 1 
ATOM   944  C CG   . LYS A 1 67  ? -0.766  16.123 14.812  1.000 38.054  0 67  LYS AAA CG   1 ? 1 
ATOM   945  C CD   . LYS A 1 67  ? -0.087  16.359 13.520  1.000 38.209  0 67  LYS AAA CD   1 ? 1 
ATOM   946  C CE   . LYS A 1 67  ? 0.975   17.427 13.645  1.000 45.859  0 67  LYS AAA CE   1 ? 1 
ATOM   947  N NZ   . LYS A 1 67  ? 1.987   17.260 12.572  1.000 48.592  0 67  LYS AAA NZ   1 ? 1 
ATOM   948  H H    . LYS A 1 67  ? -4.114  14.231 14.561  1.000 28.457  0 67  LYS AAA H    1 c 1 
ATOM   949  H HA   . LYS A 1 67  ? -1.992  14.303 13.013  1.000 30.365  0 67  LYS AAA HA   1 c 1 
ATOM   950  H HB2  . LYS A 1 67  ? -2.675  16.184 14.116  1.000 33.014  0 67  LYS AAA HB2  1 c 1 
ATOM   951  H HB3  . LYS A 1 67  ? -2.554  15.482 15.530  1.000 33.653  0 67  LYS AAA HB3  1 c 1 
ATOM   952  H HG2  . LYS A 1 67  ? -0.831  16.970 15.302  1.000 36.965  0 67  LYS AAA HG2  1 c 1 
ATOM   953  H HG3  . LYS A 1 67  ? -0.228  15.504 15.348  1.000 36.346  0 67  LYS AAA HG3  1 c 1 
ATOM   954  H HD2  . LYS A 1 67  ? 0.329   15.524 13.214  1.000 39.617  0 67  LYS AAA HD2  1 c 1 
ATOM   955  H HD3  . LYS A 1 67  ? -0.746  16.637 12.851  1.000 39.123  0 67  LYS AAA HD3  1 c 1 
ATOM   956  H HE2  . LYS A 1 67  ? 0.568   18.311 13.572  1.000 44.526  0 67  LYS AAA HE2  1 c 1 
ATOM   957  H HE3  . LYS A 1 67  ? 1.413   17.361 14.515  1.000 45.176  0 67  LYS AAA HE3  1 c 1 
ATOM   958  H HZ1  . LYS A 1 67  ? 2.532   16.562 12.768  1.000 47.954  0 67  LYS AAA HZ1  1 c 1 
ATOM   959  H HZ2  . LYS A 1 67  ? 2.484   18.015 12.498  1.000 47.892  0 67  LYS AAA HZ2  1 c 1 
ATOM   960  H HZ3  . LYS A 1 67  ? 1.573   17.101 11.780  1.000 47.212  0 67  LYS AAA HZ3  1 c 1 
ATOM   961  N N    . GLY A 1 68  ? -0.213  12.711 13.764  1.000 30.333  0 68  GLY AAA N    1 ? 1 
ATOM   962  C CA   . GLY A 1 68  ? 0.738   11.684 14.211  1.000 30.506  0 68  GLY AAA CA   1 ? 1 
ATOM   963  C C    . GLY A 1 68  ? 0.287   10.278 13.958  1.000 29.474  0 68  GLY AAA C    1 ? 1 
ATOM   964  O O    . GLY A 1 68  ? 1.151   9.444  13.838  1.000 32.721  0 68  GLY AAA O    1 ? 1 
ATOM   965  H H    . GLY A 1 68  ? -0.059  13.043 12.929  1.000 30.255  0 68  GLY AAA H    1 c 1 
ATOM   966  H HA2  . GLY A 1 68  ? 1.601   11.833 13.749  1.000 30.486  0 68  GLY AAA HA2  1 c 1 
ATOM   967  H HA3  . GLY A 1 68  ? 0.896   11.798 15.175  1.000 30.917  0 68  GLY AAA HA3  1 c 1 
ATOM   968  N N    . ARG A 1 69  ? -1.003  10.014 13.798  1.000 28.461  0 69  ARG AAA N    1 ? 1 
ATOM   969  C CA   . ARG A 1 69  ? -1.491  8.686  13.362  1.000 27.427  0 69  ARG AAA CA   1 ? 1 
ATOM   970  C C    . ARG A 1 69  ? -1.633  8.637  11.847  1.000 26.537  0 69  ARG AAA C    1 ? 1 
ATOM   971  O O    . ARG A 1 69  ? -1.386  7.574  11.287  1.000 25.551  0 69  ARG AAA O    1 ? 1 
ATOM   972  C CB   . ARG A 1 69  ? -2.858  8.355  13.963  1.000 27.996  0 69  ARG AAA CB   1 ? 1 
ATOM   973  C CG   . ARG A 1 69  ? -2.819  8.537  15.463  1.000 31.625  0 69  ARG AAA CG   1 ? 1 
ATOM   974  C CD   . ARG A 1 69  ? -3.938  7.937  16.236  1.000 30.084  0 69  ARG AAA CD   1 ? 1 
ATOM   975  N NE   . ARG A 1 69  ? -5.151  8.689  16.026  1.000 31.621  0 69  ARG AAA NE   1 ? 1 
ATOM   976  C CZ   . ARG A 1 69  ? -6.172  8.271  15.312  1.000 30.989  0 69  ARG AAA CZ   1 ? 1 
ATOM   977  N NH1  . ARG A 1 69  ? -6.149  7.068  14.747  1.000 30.764  0 69  ARG AAA NH1  1 ? 1 
ATOM   978  N NH2  . ARG A 1 69  ? -7.221  9.073  15.189  1.000 33.791  0 69  ARG AAA NH2  1 ? 1 
ATOM   979  H H    . ARG A 1 69  ? -1.661  10.623 13.946  1.000 28.325  0 69  ARG AAA H    1 c 1 
ATOM   980  H HA   . ARG A 1 69  ? -0.843  8.000  13.645  1.000 27.952  0 69  ARG AAA HA   1 c 1 
ATOM   981  H HB2  . ARG A 1 69  ? -3.536  8.947  13.576  1.000 28.197  0 69  ARG AAA HB2  1 c 1 
ATOM   982  H HB3  . ARG A 1 69  ? -3.091  7.429  13.750  1.000 28.406  0 69  ARG AAA HB3  1 c 1 
ATOM   983  H HG2  . ARG A 1 69  ? -1.979  8.157  15.800  1.000 30.853  0 69  ARG AAA HG2  1 c 1 
ATOM   984  H HG3  . ARG A 1 69  ? -2.798  9.498  15.658  1.000 30.560  0 69  ARG AAA HG3  1 c 1 
ATOM   985  H HD2  . ARG A 1 69  ? -4.064  7.006  15.963  1.000 30.800  0 69  ARG AAA HD2  1 c 1 
ATOM   986  H HD3  . ARG A 1 69  ? -3.714  7.945  17.191  1.000 31.455  0 69  ARG AAA HD3  1 c 1 
ATOM   987  H HE   . ARG A 1 69  ? -5.201  9.485  16.378  1.000 31.363  0 69  ARG AAA HE   1 c 1 
ATOM   988  H HH11 . ARG A 1 69  ? -5.450  6.547  14.830  1.000 30.954  0 69  ARG AAA HH11 1 c 1 
ATOM   989  H HH12 . ARG A 1 69  ? -6.838  6.798  14.275  1.000 30.587  0 69  ARG AAA HH12 1 c 1 
ATOM   990  H HH21 . ARG A 1 69  ? -7.220  9.864  15.578  1.000 32.829  0 69  ARG AAA HH21 1 c 1 
ATOM   991  H HH22 . ARG A 1 69  ? -7.920  8.812  14.725  1.000 32.438  0 69  ARG AAA HH22 1 c 1 
ATOM   992  N N    . PHE A 1 70  ? -2.105  9.726  11.239  1.000 26.583  0 70  PHE AAA N    1 ? 1 
ATOM   993  C CA   . PHE A 1 70  ? -2.385  9.828  9.785   1.000 26.177  0 70  PHE AAA CA   1 ? 1 
ATOM   994  C C    . PHE A 1 70  ? -1.336  10.748 9.169   1.000 25.497  0 70  PHE AAA C    1 ? 1 
ATOM   995  O O    . PHE A 1 70  ? -1.041  11.789 9.743   1.000 28.047  0 70  PHE AAA O    1 ? 1 
ATOM   996  C CB   . PHE A 1 70  ? -3.791  10.371 9.482   1.000 27.231  0 70  PHE AAA CB   1 ? 1 
ATOM   997  C CG   . PHE A 1 70  ? -5.008  9.589  9.930   1.000 27.678  0 70  PHE AAA CG   1 ? 1 
ATOM   998  C CD1  . PHE A 1 70  ? -4.910  8.448  10.710  1.000 28.286  0 70  PHE AAA CD1  1 ? 1 
ATOM   999  C CD2  . PHE A 1 70  ? -6.282  10.045 9.595   1.000 29.179  0 70  PHE AAA CD2  1 ? 1 
ATOM   1000 C CE1  . PHE A 1 70  ? -6.058  7.794  11.117  1.000 28.492  0 70  PHE AAA CE1  1 ? 1 
ATOM   1001 C CE2  . PHE A 1 70  ? -7.430  9.401  10.026  1.000 28.124  0 70  PHE AAA CE2  1 ? 1 
ATOM   1002 C CZ   . PHE A 1 70  ? -7.313  8.304  10.828  1.000 28.035  0 70  PHE AAA CZ   1 ? 1 
ATOM   1003 H H    . PHE A 1 70  ? -2.300  10.498 11.682  1.000 26.629  0 70  PHE AAA H    1 c 1 
ATOM   1004 H HA   . PHE A 1 70  ? -2.298  8.932  9.382   1.000 26.174  0 70  PHE AAA HA   1 c 1 
ATOM   1005 H HB2  . PHE A 1 70  ? -3.849  11.265 9.880   1.000 27.098  0 70  PHE AAA HB2  1 c 1 
ATOM   1006 H HB3  . PHE A 1 70  ? -3.854  10.489 8.511   1.000 26.704  0 70  PHE AAA HB3  1 c 1 
ATOM   1007 H HD1  . PHE A 1 70  ? -4.065  8.113  10.955  1.000 28.447  0 70  PHE AAA HD1  1 c 1 
ATOM   1008 H HD2  . PHE A 1 70  ? -6.363  10.837 9.088   1.000 28.284  0 70  PHE AAA HD2  1 c 1 
ATOM   1009 H HE1  . PHE A 1 70  ? -5.984  7.023  11.657  1.000 28.622  0 70  PHE AAA HE1  1 c 1 
ATOM   1010 H HE2  . PHE A 1 70  ? -8.281  9.737  9.796   1.000 28.199  0 70  PHE AAA HE2  1 c 1 
ATOM   1011 H HZ   . PHE A 1 70  ? -8.085  7.825  11.084  1.000 28.295  0 70  PHE AAA HZ   1 c 1 
ATOM   1012 N N    . THR A 1 71  ? -0.808  10.354 8.011   1.000 25.169  0 71  THR AAA N    1 ? 1 
ATOM   1013 C CA   . THR A 1 71  ? 0.132   11.135 7.164   1.000 23.966  0 71  THR AAA CA   1 ? 1 
ATOM   1014 C C    . THR A 1 71  ? -0.495  11.329 5.787   1.000 21.658  0 71  THR AAA C    1 ? 1 
ATOM   1015 O O    . THR A 1 71  ? -0.701  10.311 5.089   1.000 21.282  0 71  THR AAA O    1 ? 1 
ATOM   1016 C CB   . THR A 1 71  ? 1.479   10.441 7.014   1.000 25.148  0 71  THR AAA CB   1 ? 1 
ATOM   1017 O OG1  . THR A 1 71  ? 1.916   10.110 8.338   1.000 27.903  0 71  THR AAA OG1  1 ? 1 
ATOM   1018 C CG2  . THR A 1 71  ? 2.506   11.311 6.327   1.000 26.892  0 71  THR AAA CG2  1 ? 1 
ATOM   1019 H H    . THR A 1 71  ? -0.995  9.541  7.645   1.000 24.783  0 71  THR AAA H    1 c 1 
ATOM   1020 H HA   . THR A 1 71  ? 0.271   12.014 7.581   1.000 24.107  0 71  THR AAA HA   1 c 1 
ATOM   1021 H HB   . THR A 1 71  ? 1.355   9.610  6.495   1.000 25.540  0 71  THR AAA HB   1 c 1 
ATOM   1022 H HG1  . THR A 1 71  ? 2.665   9.700  8.297   0.000 27.820  0 71  THR AAA HG1  1 c 1 
ATOM   1023 H HG21 . THR A 1 71  ? 2.269   11.419 5.389   1.000 26.129  0 71  THR AAA HG21 1 c 1 
ATOM   1024 H HG22 . THR A 1 71  ? 3.383   10.892 6.393   1.000 26.749  0 71  THR AAA HG22 1 c 1 
ATOM   1025 H HG23 . THR A 1 71  ? 2.532   12.184 6.757   1.000 26.506  0 71  THR AAA HG23 1 c 1 
ATOM   1026 N N    . ILE A 1 72  ? -0.683  12.584 5.381   1.000 21.293  0 72  ILE AAA N    1 ? 1 
ATOM   1027 C CA   . ILE A 1 72  ? -1.068  12.916 3.983   1.000 20.206  0 72  ILE AAA CA   1 ? 1 
ATOM   1028 C C    . ILE A 1 72  ? 0.195   13.145 3.166   1.000 19.746  0 72  ILE AAA C    1 ? 1 
ATOM   1029 O O    . ILE A 1 72  ? 1.178   13.775 3.636   1.000 20.051  0 72  ILE AAA O    1 ? 1 
ATOM   1030 C CB   . ILE A 1 72  ? -2.053  14.092 3.945   1.000 19.717  0 72  ILE AAA CB   1 ? 1 
ATOM   1031 C CG1  . ILE A 1 72  ? -2.636  14.320 2.544   1.000 18.611  0 72  ILE AAA CG1  1 ? 1 
ATOM   1032 C CG2  . ILE A 1 72  ? -1.435  15.341 4.554   1.000 20.320  0 72  ILE AAA CG2  1 ? 1 
ATOM   1033 C CD1  . ILE A 1 72  ? -3.859  15.304 2.513   1.000 18.131  0 72  ILE AAA CD1  1 ? 1 
ATOM   1034 H H    . ILE A 1 72  ? -0.572  13.302 5.923   1.000 21.311  0 72  ILE AAA H    1 c 1 
ATOM   1035 H HA   . ILE A 1 72  ? -1.525  12.144 3.614   1.000 20.022  0 72  ILE AAA HA   1 c 1 
ATOM   1036 H HB   . ILE A 1 72  ? -2.812  13.840 4.526   1.000 19.607  0 72  ILE AAA HB   1 c 1 
ATOM   1037 H HG12 . ILE A 1 72  ? -1.930  14.677 1.963   1.000 18.828  0 72  ILE AAA HG12 1 c 1 
ATOM   1038 H HG13 . ILE A 1 72  ? -2.919  13.456 2.176   1.000 18.656  0 72  ILE AAA HG13 1 c 1 
ATOM   1039 H HG21 . ILE A 1 72  ? -1.233  15.185 5.490   1.000 20.406  0 72  ILE AAA HG21 1 c 1 
ATOM   1040 H HG22 . ILE A 1 72  ? -2.062  16.081 4.483   1.000 20.104  0 72  ILE AAA HG22 1 c 1 
ATOM   1041 H HG23 . ILE A 1 72  ? -0.618  15.567 4.079   1.000 20.358  0 72  ILE AAA HG23 1 c 1 
ATOM   1042 H HD11 . ILE A 1 72  ? -4.518  15.026 3.173   1.000 18.208  0 72  ILE AAA HD11 1 c 1 
ATOM   1043 H HD12 . ILE A 1 72  ? -4.264  15.293 1.629   1.000 18.155  0 72  ILE AAA HD12 1 c 1 
ATOM   1044 H HD13 . ILE A 1 72  ? -3.558  16.206 2.719   1.000 18.322  0 72  ILE AAA HD13 1 c 1 
ATOM   1045 N N    . SER A 1 73  ? 0.173   12.675 1.940   1.000 19.492  0 73  SER AAA N    1 ? 1 
ATOM   1046 C CA   . SER A 1 73  ? 1.301   12.835 1.008   1.000 20.161  0 73  SER AAA CA   1 ? 1 
ATOM   1047 C C    . SER A 1 73  ? 0.754   12.935 -0.397  1.000 19.727  0 73  SER AAA C    1 ? 1 
ATOM   1048 O O    . SER A 1 73  ? -0.379  12.599 -0.617  1.000 19.347  0 73  SER AAA O    1 ? 1 
ATOM   1049 C CB   . SER A 1 73  ? 2.338   11.737 1.169   1.000 20.788  0 73  SER AAA CB   1 ? 1 
ATOM   1050 O OG   . SER A 1 73  ? 1.849   10.502 0.727   1.000 21.943  0 73  SER AAA OG   1 ? 1 
ATOM   1051 H H    . SER A 1 73  ? -0.528  12.217 1.578   1.000 19.431  0 73  SER AAA H    1 c 1 
ATOM   1052 H HA   . SER A 1 73  ? 1.743   13.700 1.218   1.000 20.244  0 73  SER AAA HA   1 c 1 
ATOM   1053 H HB2  . SER A 1 73  ? 3.143   11.972 0.655   1.000 21.277  0 73  SER AAA HB2  1 c 1 
ATOM   1054 H HB3  . SER A 1 73  ? 2.592   11.666 2.117   1.000 21.159  0 73  SER AAA HB3  1 c 1 
ATOM   1055 H HG   . SER A 1 73  ? 2.455   9.913  0.776   0.000 20.830  0 73  SER AAA HG   1 c 1 
ATOM   1056 N N    . ARG A 1 74  ? 1.611   13.323 -1.336  1.000 20.940  0 74  ARG AAA N    1 ? 1 
ATOM   1057 C CA   . ARG A 1 74  ? 1.134   13.373 -2.725  1.000 23.264  0 74  ARG AAA CA   1 ? 1 
ATOM   1058 C C    . ARG A 1 74  ? 2.301   12.950 -3.612  1.000 23.736  0 74  ARG AAA C    1 ? 1 
ATOM   1059 O O    . ARG A 1 74  ? 3.453   13.142 -3.200  1.000 26.385  0 74  ARG AAA O    1 ? 1 
ATOM   1060 C CB   . ARG A 1 74  ? 0.449   14.713 -3.057  1.000 22.198  0 74  ARG AAA CB   1 ? 1 
ATOM   1061 C CG   . ARG A 1 74  ? 1.332   15.936 -3.132  1.000 22.777  0 74  ARG AAA CG   1 ? 1 
ATOM   1062 C CD   . ARG A 1 74  ? 0.532   17.239 -3.226  1.000 21.911  0 74  ARG AAA CD   1 ? 1 
ATOM   1063 N NE   . ARG A 1 74  ? -0.350  17.292 -4.378  1.000 22.834  0 74  ARG AAA NE   1 ? 1 
ATOM   1064 C CZ   . ARG A 1 74  ? -1.278  18.227 -4.569  1.000 21.527  0 74  ARG AAA CZ   1 ? 1 
ATOM   1065 N NH1  . ARG A 1 74  ? -1.485  19.135 -3.628  1.000 19.901  0 74  ARG AAA NH1  1 ? 1 
ATOM   1066 N NH2  . ARG A 1 74  ? -2.054  18.184 -5.640  1.000 22.661  0 74  ARG AAA NH2  1 ? 1 
ATOM   1067 H H    . ARG A 1 74  ? 2.477   13.567 -1.188  1.000 21.508  0 74  ARG AAA H    1 c 1 
ATOM   1068 H HA   . ARG A 1 74  ? 0.447   12.674 -2.813  1.000 22.431  0 74  ARG AAA HA   1 c 1 
ATOM   1069 H HB2  . ARG A 1 74  ? -0.007  14.614 -3.918  1.000 22.496  0 74  ARG AAA HB2  1 c 1 
ATOM   1070 H HB3  . ARG A 1 74  ? -0.241  14.876 -2.380  1.000 22.270  0 74  ARG AAA HB3  1 c 1 
ATOM   1071 H HG2  . ARG A 1 74  ? 1.903   15.970 -2.334  1.000 22.631  0 74  ARG AAA HG2  1 c 1 
ATOM   1072 H HG3  . ARG A 1 74  ? 1.917   15.864 -3.917  1.000 22.788  0 74  ARG AAA HG3  1 c 1 
ATOM   1073 H HD2  . ARG A 1 74  ? -0.002  17.338 -2.409  1.000 22.087  0 74  ARG AAA HD2  1 c 1 
ATOM   1074 H HD3  . ARG A 1 74  ? 1.156   17.994 -3.267  1.000 22.511  0 74  ARG AAA HD3  1 c 1 
ATOM   1075 H HE   . ARG A 1 74  ? -0.240  16.696 -5.004  1.000 22.351  0 74  ARG AAA HE   1 c 1 
ATOM   1076 H HH11 . ARG A 1 74  ? -0.980  19.157 -2.911  1.000 20.496  0 74  ARG AAA HH11 1 c 1 
ATOM   1077 H HH12 . ARG A 1 74  ? -2.107  19.747 -3.743  1.000 20.448  0 74  ARG AAA HH12 1 c 1 
ATOM   1078 H HH21 . ARG A 1 74  ? -1.919  17.568 -6.255  1.000 22.363  0 74  ARG AAA HH21 1 c 1 
ATOM   1079 H HH22 . ARG A 1 74  ? -2.677  18.796 -5.756  1.000 22.231  0 74  ARG AAA HH22 1 c 1 
ATOM   1080 N N    . ASP A 1 75  ? 1.924   12.459 -4.781  1.000 25.676  0 75  ASP AAA N    1 ? 1 
ATOM   1081 C CA   . ASP A 1 75  ? 2.828   12.120 -5.903  1.000 28.169  0 75  ASP AAA CA   1 ? 1 
ATOM   1082 C C    . ASP A 1 75  ? 2.417   13.070 -7.009  1.000 27.835  0 75  ASP AAA C    1 ? 1 
ATOM   1083 O O    . ASP A 1 75  ? 1.352   12.878 -7.670  1.000 24.627  0 75  ASP AAA O    1 ? 1 
ATOM   1084 C CB   . ASP A 1 75  ? 2.737   10.637 -6.247  1.000 30.604  0 75  ASP AAA CB   1 ? 1 
ATOM   1085 C CG   . ASP A 1 75  ? 3.744   10.192 -7.293  1.000 33.901  0 75  ASP AAA CG   1 ? 1 
ATOM   1086 O OD1  . ASP A 1 75  ? 3.957   10.955 -8.298  1.000 34.561  0 75  ASP AAA OD1  1 ? 1 
ATOM   1087 O OD2  . ASP A 1 75  ? 4.286   9.067  -7.119  1.000 38.160  0 75  ASP AAA OD2  1 ? 1 
ATOM   1088 H H    . ASP A 1 75  ? 1.048   12.292 -4.972  1.000 25.441  0 75  ASP AAA H    1 c 1 
ATOM   1089 H HA   . ASP A 1 75  ? 3.754   12.323 -5.633  1.000 28.365  0 75  ASP AAA HA   1 c 1 
ATOM   1090 H HB2  . ASP A 1 75  ? 2.883   10.111 -5.434  1.000 30.541  0 75  ASP AAA HB2  1 c 1 
ATOM   1091 H HB3  . ASP A 1 75  ? 1.838   10.442 -6.582  1.000 30.418  0 75  ASP AAA HB3  1 c 1 
ATOM   1092 N N    . ARG A 1 76  ? 3.238   14.109 -7.145  1.000 26.704  0 76  ARG AAA N    1 ? 1 
ATOM   1093 C CA   . ARG A 1 76  ? 2.929   15.210 -8.094  1.000 29.747  0 76  ARG AAA CA   1 ? 1 
ATOM   1094 C C    . ARG A 1 76  ? 2.975   14.663 -9.527  1.000 29.508  0 76  ARG AAA C    1 ? 1 
ATOM   1095 O O    . ARG A 1 76  ? 2.139   15.005 -10.357 1.000 34.223  0 76  ARG AAA O    1 ? 1 
ATOM   1096 C CB   . ARG A 1 76  ? 3.859   16.376 -7.753  1.000 28.020  0 76  ARG AAA CB   1 ? 1 
ATOM   1097 C CG   . ARG A 1 76  ? 3.609   16.945 -6.361  1.000 29.324  0 76  ARG AAA CG   1 ? 1 
ATOM   1098 C CD   . ARG A 1 76  ? 4.419   18.189 -6.105  1.000 32.527  0 76  ARG AAA CD   1 ? 1 
ATOM   1099 N NE   . ARG A 1 76  ? 3.734   19.327 -6.751  1.000 33.230  0 76  ARG AAA NE   1 ? 1 
ATOM   1100 C CZ   . ARG A 1 76  ? 4.230   20.057 -7.767  1.000 32.703  0 76  ARG AAA CZ   1 ? 1 
ATOM   1101 N NH1  . ARG A 1 76  ? 5.441   19.801 -8.255  1.000 31.318  0 76  ARG AAA NH1  1 ? 1 
ATOM   1102 N NH2  . ARG A 1 76  ? 3.491   21.044 -8.262  1.000 32.679  0 76  ARG AAA NH2  1 ? 1 
ATOM   1103 H H    . ARG A 1 76  ? 4.023   14.196 -6.690  1.000 27.882  0 76  ARG AAA H    1 c 1 
ATOM   1104 H HA   . ARG A 1 76  ? 2.007   15.501 -7.916  1.000 28.385  0 76  ARG AAA HA   1 c 1 
ATOM   1105 H HB2  . ARG A 1 76  ? 4.788   16.070 -7.812  1.000 29.205  0 76  ARG AAA HB2  1 c 1 
ATOM   1106 H HB3  . ARG A 1 76  ? 3.731   17.087 -8.416  1.000 29.024  0 76  ARG AAA HB3  1 c 1 
ATOM   1107 H HG2  . ARG A 1 76  ? 2.656   17.156 -6.263  1.000 29.270  0 76  ARG AAA HG2  1 c 1 
ATOM   1108 H HG3  . ARG A 1 76  ? 3.840   16.270 -5.688  1.000 29.482  0 76  ARG AAA HG3  1 c 1 
ATOM   1109 H HD2  . ARG A 1 76  ? 4.487   18.347 -5.141  1.000 31.806  0 76  ARG AAA HD2  1 c 1 
ATOM   1110 H HD3  . ARG A 1 76  ? 5.321   18.080 -6.466  1.000 32.402  0 76  ARG AAA HD3  1 c 1 
ATOM   1111 H HE   . ARG A 1 76  ? 2.934   19.528 -6.467  1.000 32.417  0 76  ARG AAA HE   1 c 1 
ATOM   1112 H HH11 . ARG A 1 76  ? 5.924   19.147 -7.929  1.000 32.104  0 76  ARG AAA HH11 1 c 1 
ATOM   1113 H HH12 . ARG A 1 76  ? 5.755   20.288 -8.916  1.000 32.371  0 76  ARG AAA HH12 1 c 1 
ATOM   1114 H HH21 . ARG A 1 76  ? 2.693   21.208 -7.926  1.000 32.304  0 76  ARG AAA HH21 1 c 1 
ATOM   1115 H HH22 . ARG A 1 76  ? 3.802   21.537 -8.919  1.000 32.947  0 76  ARG AAA HH22 1 c 1 
ATOM   1116 N N    . ALA A 1 77  ? 3.921   13.799 -9.835  1.000 30.917  0 77  ALA AAA N    1 ? 1 
ATOM   1117 C CA   . ALA A 1 77  ? 4.017   13.197 -11.184 1.000 31.610  0 77  ALA AAA CA   1 ? 1 
ATOM   1118 C C    . ALA A 1 77  ? 2.837   12.252 -11.460 1.000 30.261  0 77  ALA AAA C    1 ? 1 
ATOM   1119 O O    . ALA A 1 77  ? 2.399   12.177 -12.571 1.000 32.283  0 77  ALA AAA O    1 ? 1 
ATOM   1120 C CB   . ALA A 1 77  ? 5.360   12.510 -11.296 1.000 32.869  0 77  ALA AAA CB   1 ? 1 
ATOM   1121 H H    . ALA A 1 77  ? 4.573   13.516 -9.265  1.000 30.780  0 77  ALA AAA H    1 c 1 
ATOM   1122 H HA   . ALA A 1 77  ? 3.986   13.926 -11.847 1.000 31.752  0 77  ALA AAA HA   1 c 1 
ATOM   1123 H HB1  . ALA A 1 77  ? 5.467   12.150 -12.192 1.000 33.006  0 77  ALA AAA HB1  1 c 1 
ATOM   1124 H HB2  . ALA A 1 77  ? 6.069   13.151 -11.119 1.000 32.876  0 77  ALA AAA HB2  1 c 1 
ATOM   1125 H HB3  . ALA A 1 77  ? 5.410   11.787 -10.649 1.000 32.434  0 77  ALA AAA HB3  1 c 1 
ATOM   1126 N N    . LYS A 1 78  ? 2.324   11.516 -10.494 1.000 29.860  0 78  LYS AAA N    1 ? 1 
ATOM   1127 C CA   . LYS A 1 78  ? 1.260   10.523 -10.775 1.000 33.555  0 78  LYS AAA CA   1 ? 1 
ATOM   1128 C C    . LYS A 1 78  ? -0.118  11.130 -10.515 1.000 30.436  0 78  LYS AAA C    1 ? 1 
ATOM   1129 O O    . LYS A 1 78  ? -1.081  10.405 -10.756 1.000 31.270  0 78  LYS AAA O    1 ? 1 
ATOM   1130 C CB   . LYS A 1 78  ? 1.421   9.266  -9.916  1.000 38.097  0 78  LYS AAA CB   1 ? 1 
ATOM   1131 C CG   . LYS A 1 78  ? 2.545   8.364  -10.379 1.000 45.735  0 78  LYS AAA CG   1 ? 1 
ATOM   1132 C CD   . LYS A 1 78  ? 2.591   7.050  -9.672  1.000 51.463  0 78  LYS AAA CD   1 ? 1 
ATOM   1133 C CE   . LYS A 1 78  ? 3.638   6.167  -10.323 1.000 62.081  0 78  LYS AAA CE   1 ? 1 
ATOM   1134 N NZ   . LYS A 1 78  ? 3.897   4.950  -9.514  1.000 67.926  0 78  LYS AAA NZ   1 ? 1 
ATOM   1135 H H    . LYS A 1 78  ? 2.585   11.569 -9.623  1.000 30.537  0 78  LYS AAA H    1 c 1 
ATOM   1136 H HA   . LYS A 1 78  ? 1.315   10.263 -11.724 1.000 33.432  0 78  LYS AAA HA   1 c 1 
ATOM   1137 H HB2  . LYS A 1 78  ? 1.591   9.536  -8.990  1.000 38.133  0 78  LYS AAA HB2  1 c 1 
ATOM   1138 H HB3  . LYS A 1 78  ? 0.584   8.758  -9.935  1.000 38.188  0 78  LYS AAA HB3  1 c 1 
ATOM   1139 H HG2  . LYS A 1 78  ? 2.444   8.204  -11.341 1.000 45.477  0 78  LYS AAA HG2  1 c 1 
ATOM   1140 H HG3  . LYS A 1 78  ? 3.398   8.829  -10.241 1.000 45.381  0 78  LYS AAA HG3  1 c 1 
ATOM   1141 H HD2  . LYS A 1 78  ? 2.819   7.189  -8.728  1.000 51.918  0 78  LYS AAA HD2  1 c 1 
ATOM   1142 H HD3  . LYS A 1 78  ? 1.714   6.614  -9.724  1.000 51.914  0 78  LYS AAA HD3  1 c 1 
ATOM   1143 H HE2  . LYS A 1 78  ? 3.334   5.900  -11.212 1.000 61.024  0 78  LYS AAA HE2  1 c 1 
ATOM   1144 H HE3  . LYS A 1 78  ? 4.471   6.665  -10.425 1.000 61.084  0 78  LYS AAA HE3  1 c 1 
ATOM   1145 H HZ1  . LYS A 1 78  ? 4.224   5.186  -8.701  1.000 65.913  0 78  LYS AAA HZ1  1 c 1 
ATOM   1146 H HZ2  . LYS A 1 78  ? 4.502   4.423  -9.936  1.000 66.414  0 78  LYS AAA HZ2  1 c 1 
ATOM   1147 H HZ3  . LYS A 1 78  ? 3.126   4.486  -9.401  1.000 65.777  0 78  LYS AAA HZ3  1 c 1 
ATOM   1148 N N    . ASN A 1 79  ? -0.216  12.387 -10.042 1.000 27.376  0 79  ASN AAA N    1 ? 1 
ATOM   1149 C CA   . ASN A 1 79  ? -1.535  13.018 -9.762  1.000 25.447  0 79  ASN AAA CA   1 ? 1 
ATOM   1150 C C    . ASN A 1 79  ? -2.323  12.228 -8.699  1.000 22.698  0 79  ASN AAA C    1 ? 1 
ATOM   1151 O O    . ASN A 1 79  ? -3.499  11.858 -8.897  1.000 20.853  0 79  ASN AAA O    1 ? 1 
ATOM   1152 C CB   . ASN A 1 79  ? -2.341  13.147 -11.053 1.000 27.296  0 79  ASN AAA CB   1 ? 1 
ATOM   1153 C CG   . ASN A 1 79  ? -1.653  13.959 -12.131 1.000 26.938  0 79  ASN AAA CG   1 ? 1 
ATOM   1154 O OD1  . ASN A 1 79  ? -1.530  13.512 -13.271 1.000 32.345  0 79  ASN AAA OD1  1 ? 1 
ATOM   1155 N ND2  . ASN A 1 79  ? -1.202  15.125 -11.787 1.000 25.680  0 79  ASN AAA ND2  1 ? 1 
ATOM   1156 H H    . ASN A 1 79  ? 0.502   12.917 -9.865  1.000 27.725  0 79  ASN AAA H    1 c 1 
ATOM   1157 H HA   . ASN A 1 79  ? -1.372  13.927 -9.419  1.000 25.487  0 79  ASN AAA HA   1 c 1 
ATOM   1158 H HB2  . ASN A 1 79  ? -2.527  12.253 -11.402 1.000 26.838  0 79  ASN AAA HB2  1 c 1 
ATOM   1159 H HB3  . ASN A 1 79  ? -3.198  13.570 -10.844 1.000 26.568  0 79  ASN AAA HB3  1 c 1 
ATOM   1160 H HD21 . ASN A 1 79  ? -0.509  15.474 -12.212 1.000 26.358  0 79  ASN AAA HD21 1 c 1 
ATOM   1161 H HD22 . ASN A 1 79  ? -1.586  15.573 -11.128 1.000 25.766  0 79  ASN AAA HD22 1 c 1 
ATOM   1162 N N    . MET A 1 80  ? -1.650  11.948 -7.603  1.000 23.078  0 80  MET AAA N    1 ? 1 
ATOM   1163 C CA   . MET A 1 80  ? -2.176  11.126 -6.497  1.000 24.089  0 80  MET AAA CA   1 ? 1 
ATOM   1164 C C    . MET A 1 80  ? -2.012  11.883 -5.181  1.000 21.033  0 80  MET AAA C    1 ? 1 
ATOM   1165 O O    . MET A 1 80  ? -0.993  12.509 -4.972  1.000 20.103  0 80  MET AAA O    1 ? 1 
ATOM   1166 C CB   . MET A 1 80  ? -1.424  9.789  -6.362  1.000 27.944  0 80  MET AAA CB   1 ? 1 
ATOM   1167 C CG   . MET A 1 80  ? -1.337  8.989  -7.634  1.000 31.539  0 80  MET AAA CG   1 ? 1 
ATOM   1168 S SD   . MET A 1 80  ? -2.883  8.111  -8.040  1.000 38.223  0 80  MET AAA SD   1 ? 1 
ATOM   1169 C CE   . MET A 1 80  ? -3.052  7.070  -6.606  1.000 34.820  0 80  MET AAA CE   1 ? 1 
ATOM   1170 H H    . MET A 1 80  ? -0.804  12.254 -7.458  1.000 23.357  0 80  MET AAA H    1 c 1 
ATOM   1171 H HA   . MET A 1 80  ? -3.129  10.957 -6.656  1.000 23.794  0 80  MET AAA HA   1 c 1 
ATOM   1172 H HB2  . MET A 1 80  ? -0.517  9.975  -6.047  1.000 27.791  0 80  MET AAA HB2  1 c 1 
ATOM   1173 H HB3  . MET A 1 80  ? -1.866  9.253  -5.678  1.000 27.529  0 80  MET AAA HB3  1 c 1 
ATOM   1174 H HG2  . MET A 1 80  ? -1.109  9.587  -8.376  1.000 32.333  0 80  MET AAA HG2  1 c 1 
ATOM   1175 H HG3  . MET A 1 80  ? -0.615  8.330  -7.548  1.000 32.267  0 80  MET AAA HG3  1 c 1 
ATOM   1176 H HE1  . MET A 1 80  ? -3.702  6.379  -6.786  1.000 35.730  0 80  MET AAA HE1  1 c 1 
ATOM   1177 H HE2  . MET A 1 80  ? -2.200  6.665  -6.400  1.000 35.793  0 80  MET AAA HE2  1 c 1 
ATOM   1178 H HE3  . MET A 1 80  ? -3.347  7.600  -5.855  1.000 35.465  0 80  MET AAA HE3  1 c 1 
ATOM   1179 N N    . VAL A 1 81  ? -2.984  11.684 -4.302  1.000 19.791  0 81  VAL AAA N    1 ? 1 
ATOM   1180 C CA   . VAL A 1 81  ? -2.959  12.125 -2.886  1.000 20.564  0 81  VAL AAA CA   1 ? 1 
ATOM   1181 C C    . VAL A 1 81  ? -3.244  10.878 -2.065  1.000 19.675  0 81  VAL AAA C    1 ? 1 
ATOM   1182 O O    . VAL A 1 81  ? -4.203  10.163 -2.407  1.000 20.005  0 81  VAL AAA O    1 ? 1 
ATOM   1183 C CB   . VAL A 1 81  ? -3.958  13.252 -2.540  1.000 22.119  0 81  VAL AAA CB   1 ? 1 
ATOM   1184 C CG1  . VAL A 1 81  ? -3.798  13.738 -1.111  1.000 22.157  0 81  VAL AAA CG1  1 ? 1 
ATOM   1185 C CG2  . VAL A 1 81  ? -3.774  14.427 -3.465  1.000 25.699  0 81  VAL AAA CG2  1 ? 1 
ATOM   1186 H H    . VAL A 1 81  ? -3.756  11.254 -4.524  1.000 20.208  0 81  VAL AAA H    1 c 1 
ATOM   1187 H HA   . VAL A 1 81  ? -2.061  12.435 -2.677  1.000 20.631  0 81  VAL AAA HA   1 c 1 
ATOM   1188 H HB   . VAL A 1 81  ? -4.875  12.902 -2.653  1.000 22.357  0 81  VAL AAA HB   1 c 1 
ATOM   1189 H HG11 . VAL A 1 81  ? -3.995  13.011 -0.495  1.000 22.051  0 81  VAL AAA HG11 1 c 1 
ATOM   1190 H HG12 . VAL A 1 81  ? -4.412  14.474 -0.947  1.000 22.083  0 81  VAL AAA HG12 1 c 1 
ATOM   1191 H HG13 . VAL A 1 81  ? -2.885  14.041 -0.972  1.000 22.224  0 81  VAL AAA HG13 1 c 1 
ATOM   1192 H HG21 . VAL A 1 81  ? -2.831  14.660 -3.514  1.000 24.690  0 81  VAL AAA HG21 1 c 1 
ATOM   1193 H HG22 . VAL A 1 81  ? -4.281  15.188 -3.132  1.000 24.500  0 81  VAL AAA HG22 1 c 1 
ATOM   1194 H HG23 . VAL A 1 81  ? -4.096  14.188 -4.349  1.000 24.667  0 81  VAL AAA HG23 1 c 1 
ATOM   1195 N N    . TYR A 1 82  ? -2.387  10.633 -1.078  1.000 20.273  0 82  TYR AAA N    1 ? 1 
ATOM   1196 C CA   . TYR A 1 82  ? -2.490  9.475  -0.161  1.000 20.041  0 82  TYR AAA CA   1 ? 1 
ATOM   1197 C C    . TYR A 1 82  ? -2.770  9.876  1.275   1.000 20.605  0 82  TYR AAA C    1 ? 1 
ATOM   1198 O O    . TYR A 1 82  ? -2.380  10.933 1.731   1.000 21.034  0 82  TYR AAA O    1 ? 1 
ATOM   1199 C CB   . TYR A 1 82  ? -1.192  8.690  -0.178  1.000 21.477  0 82  TYR AAA CB   1 ? 1 
ATOM   1200 C CG   . TYR A 1 82  ? -0.791  8.268  -1.556  1.000 23.054  0 82  TYR AAA CG   1 ? 1 
ATOM   1201 C CD1  . TYR A 1 82  ? -1.442  7.259  -2.261  1.000 24.483  0 82  TYR AAA CD1  1 ? 1 
ATOM   1202 C CD2  . TYR A 1 82  ? 0.276   8.871  -2.149  1.000 26.597  0 82  TYR AAA CD2  1 ? 1 
ATOM   1203 C CE1  . TYR A 1 82  ? -1.006  6.840  -3.506  1.000 25.200  0 82  TYR AAA CE1  1 ? 1 
ATOM   1204 C CE2  . TYR A 1 82  ? 0.732   8.454  -3.382  1.000 27.166  0 82  TYR AAA CE2  1 ? 1 
ATOM   1205 C CZ   . TYR A 1 82  ? 0.079   7.472  -4.065  1.000 25.874  0 82  TYR AAA CZ   1 ? 1 
ATOM   1206 O OH   . TYR A 1 82  ? 0.626   7.237  -5.269  1.000 29.700  0 82  TYR AAA OH   1 ? 1 
ATOM   1207 H H    . TYR A 1 82  ? -1.670  11.163 -0.891  1.000 20.204  0 82  TYR AAA H    1 c 1 
ATOM   1208 H HA   . TYR A 1 82  ? -3.221  8.887  -0.473  1.000 20.329  0 82  TYR AAA HA   1 c 1 
ATOM   1209 H HB2  . TYR A 1 82  ? -0.484  9.244  0.211   1.000 21.663  0 82  TYR AAA HB2  1 c 1 
ATOM   1210 H HB3  . TYR A 1 82  ? -1.299  7.894  0.384   1.000 21.514  0 82  TYR AAA HB3  1 c 1 
ATOM   1211 H HD1  . TYR A 1 82  ? -2.177  6.822  -1.863  1.000 24.207  0 82  TYR AAA HD1  1 c 1 
ATOM   1212 H HD2  . TYR A 1 82  ? 0.751   9.539  -1.683  1.000 25.875  0 82  TYR AAA HD2  1 c 1 
ATOM   1213 H HE1  . TYR A 1 82  ? -1.464  6.163  -3.976  1.000 25.202  0 82  TYR AAA HE1  1 c 1 
ATOM   1214 H HE2  . TYR A 1 82  ? 1.467   8.891  -3.781  1.000 26.887  0 82  TYR AAA HE2  1 c 1 
ATOM   1215 H HH   . TYR A 1 82  ? 0.165   6.572  -5.673  0.000 29.770  0 82  TYR AAA HH   1 c 1 
ATOM   1216 N N    . LEU A 1 83  ? -3.492  9.010  1.980   1.000 20.300  0 83  LEU AAA N    1 ? 1 
ATOM   1217 C CA   . LEU A 1 83  ? -3.577  9.085  3.426   1.000 19.623  0 83  LEU AAA CA   1 ? 1 
ATOM   1218 C C    . LEU A 1 83  ? -3.209  7.713  4.003   1.000 21.070  0 83  LEU AAA C    1 ? 1 
ATOM   1219 O O    . LEU A 1 83  ? -3.975  6.765  3.846   1.000 18.999  0 83  LEU AAA O    1 ? 1 
ATOM   1220 C CB   . LEU A 1 83  ? -4.974  9.494  3.842   1.000 18.957  0 83  LEU AAA CB   1 ? 1 
ATOM   1221 C CG   . LEU A 1 83  ? -5.090  9.877  5.302   1.000 19.101  0 83  LEU AAA CG   1 ? 1 
ATOM   1222 C CD1  . LEU A 1 83  ? -4.478  11.244 5.595   1.000 19.784  0 83  LEU AAA CD1  1 ? 1 
ATOM   1223 C CD2  . LEU A 1 83  ? -6.554  9.790  5.687   1.000 19.123  0 83  LEU AAA CD2  1 ? 1 
ATOM   1224 H H    . LEU A 1 83  ? -3.972  8.332  1.605   1.000 20.124  0 83  LEU AAA H    1 c 1 
ATOM   1225 H HA   . LEU A 1 83  ? -2.929  9.751  3.747   1.000 20.009  0 83  LEU AAA HA   1 c 1 
ATOM   1226 H HB2  . LEU A 1 83  ? -5.251  10.255 3.295   1.000 19.004  0 83  LEU AAA HB2  1 c 1 
ATOM   1227 H HB3  . LEU A 1 83  ? -5.586  8.755  3.657   1.000 19.042  0 83  LEU AAA HB3  1 c 1 
ATOM   1228 H HG   . LEU A 1 83  ? -4.597  9.205  5.834   1.000 19.369  0 83  LEU AAA HG   1 c 1 
ATOM   1229 H HD11 . LEU A 1 83  ? -3.513  11.200 5.481   1.000 19.700  0 83  LEU AAA HD11 1 c 1 
ATOM   1230 H HD12 . LEU A 1 83  ? -4.684  11.502 6.510   1.000 19.751  0 83  LEU AAA HD12 1 c 1 
ATOM   1231 H HD13 . LEU A 1 83  ? -4.847  11.903 4.982   1.000 19.475  0 83  LEU AAA HD13 1 c 1 
ATOM   1232 H HD21 . LEU A 1 83  ? -7.082  10.343 5.084   1.000 19.008  0 83  LEU AAA HD21 1 c 1 
ATOM   1233 H HD22 . LEU A 1 83  ? -6.669  10.106 6.600   1.000 19.258  0 83  LEU AAA HD22 1 c 1 
ATOM   1234 H HD23 . LEU A 1 83  ? -6.853  8.866  5.625   1.000 19.114  0 83  LEU AAA HD23 1 c 1 
ATOM   1235 N N    . GLN A 1 84  ? -2.084  7.690  4.677   1.000 19.447  0 84  GLN AAA N    1 ? 1 
ATOM   1236 C CA   . GLN A 1 84  ? -1.627  6.543  5.457   1.000 22.049  0 84  GLN AAA CA   1 ? 1 
ATOM   1237 C C    . GLN A 1 84  ? -2.254  6.665  6.842   1.000 23.078  0 84  GLN AAA C    1 ? 1 
ATOM   1238 O O    . GLN A 1 84  ? -1.939  7.612  7.578   1.000 23.632  0 84  GLN AAA O    1 ? 1 
ATOM   1239 C CB   . GLN A 1 84  ? -0.102  6.573  5.557   1.000 24.633  0 84  GLN AAA CB   1 ? 1 
ATOM   1240 C CG   . GLN A 1 84  ? 0.483   5.370  6.275   1.000 25.750  0 84  GLN AAA CG   1 ? 1 
ATOM   1241 C CD   . GLN A 1 84  ? 0.159   4.058  5.579   1.000 27.922  0 84  GLN AAA CD   1 ? 1 
ATOM   1242 O OE1  . GLN A 1 84  ? 0.159   3.901  4.362   1.000 29.864  0 84  GLN AAA OE1  1 ? 1 
ATOM   1243 N NE2  . GLN A 1 84  ? -0.197  3.064  6.362   1.000 30.648  0 84  GLN AAA NE2  1 ? 1 
ATOM   1244 H H    . GLN A 1 84  ? -1.511  8.398  4.699   1.000 20.519  0 84  GLN AAA H    1 c 1 
ATOM   1245 H HA   . GLN A 1 84  ? -1.922  5.710  5.022   1.000 22.056  0 84  GLN AAA HA   1 c 1 
ATOM   1246 H HB2  . GLN A 1 84  ? 0.269   6.616  4.651   1.000 24.207  0 84  GLN AAA HB2  1 c 1 
ATOM   1247 H HB3  . GLN A 1 84  ? 0.164   7.389  6.030   1.000 24.375  0 84  GLN AAA HB3  1 c 1 
ATOM   1248 H HG2  . GLN A 1 84  ? 1.457   5.470  6.327   1.000 26.393  0 84  GLN AAA HG2  1 c 1 
ATOM   1249 H HG3  . GLN A 1 84  ? 0.136   5.341  7.192   1.000 26.207  0 84  GLN AAA HG3  1 c 1 
ATOM   1250 H HE21 . GLN A 1 84  ? -0.749  2.440  6.063   1.000 29.669  0 84  GLN AAA HE21 1 c 1 
ATOM   1251 H HE22 . GLN A 1 84  ? 0.116   3.017  7.189   1.000 30.068  0 84  GLN AAA HE22 1 c 1 
ATOM   1252 N N    . MET A 1 85  ? -3.082  5.699  7.171   1.000 23.110  0 85  MET AAA N    1 ? 1 
ATOM   1253 C CA   . MET A 1 85  ? -3.826  5.692  8.440   1.000 26.966  0 85  MET AAA CA   1 ? 1 
ATOM   1254 C C    . MET A 1 85  ? -3.230  4.590  9.352   1.000 27.888  0 85  MET AAA C    1 ? 1 
ATOM   1255 O O    . MET A 1 85  ? -3.420  3.403  9.041   1.000 29.133  0 85  MET AAA O    1 ? 1 
ATOM   1256 C CB   . MET A 1 85  ? -5.305  5.425  8.137   1.000 28.134  0 85  MET AAA CB   1 ? 1 
ATOM   1257 C CG   . MET A 1 85  ? -5.874  6.375  7.121   1.000 28.859  0 85  MET AAA CG   1 ? 1 
ATOM   1258 S SD   . MET A 1 85  ? -7.557  5.875  6.652   1.000 30.206  0 85  MET AAA SD   1 ? 1 
ATOM   1259 C CE   . MET A 1 85  ? -8.434  6.847  7.861   1.000 29.699  0 85  MET AAA CE   1 ? 1 
ATOM   1260 H H    . MET A 1 85  ? -3.246  4.979  6.637   1.000 23.808  0 85  MET AAA H    1 c 1 
ATOM   1261 H HA   . MET A 1 85  ? -3.725  6.567  8.880   1.000 26.640  0 85  MET AAA HA   1 c 1 
ATOM   1262 H HB2  . MET A 1 85  ? -5.402  4.509  7.807   1.000 28.010  0 85  MET AAA HB2  1 c 1 
ATOM   1263 H HB3  . MET A 1 85  ? -5.816  5.501  8.967   1.000 28.208  0 85  MET AAA HB3  1 c 1 
ATOM   1264 H HG2  . MET A 1 85  ? -5.898  7.282  7.494   1.000 28.980  0 85  MET AAA HG2  1 c 1 
ATOM   1265 H HG3  . MET A 1 85  ? -5.307  6.386  6.321   1.000 28.811  0 85  MET AAA HG3  1 c 1 
ATOM   1266 H HE1  . MET A 1 85  ? -9.375  6.646  7.809   1.000 29.947  0 85  MET AAA HE1  1 c 1 
ATOM   1267 H HE2  . MET A 1 85  ? -8.108  6.633  8.742   1.000 30.118  0 85  MET AAA HE2  1 c 1 
ATOM   1268 H HE3  . MET A 1 85  ? -8.293  7.785  7.683   1.000 29.822  0 85  MET AAA HE3  1 c 1 
ATOM   1269 N N    . ASN A 1 86  ? -2.479  4.973  10.383  1.000 29.011  0 86  ASN AAA N    1 ? 1 
ATOM   1270 C CA   . ASN A 1 86  ? -1.881  4.037  11.393  1.000 30.084  0 86  ASN AAA CA   1 ? 1 
ATOM   1271 C C    . ASN A 1 86  ? -2.658  4.103  12.707  1.000 30.617  0 86  ASN AAA C    1 ? 1 
ATOM   1272 O O    . ASN A 1 86  ? -3.373  5.116  12.984  1.000 28.566  0 86  ASN AAA O    1 ? 1 
ATOM   1273 C CB   . ASN A 1 86  ? -0.384  4.286  11.647  1.000 31.013  0 86  ASN AAA CB   1 ? 1 
ATOM   1274 C CG   . ASN A 1 86  ? 0.412   4.138  10.360  1.000 31.868  0 86  ASN AAA CG   1 ? 1 
ATOM   1275 O OD1  . ASN A 1 86  ? 0.125   3.308  9.512   1.000 32.244  0 86  ASN AAA OD1  1 ? 1 
ATOM   1276 N ND2  . ASN A 1 86  ? 1.336   5.027  10.115  1.000 36.161  0 86  ASN AAA ND2  1 ? 1 
ATOM   1277 H H    . ASN A 1 86  ? -2.278  5.848  10.539  1.000 29.007  0 86  ASN AAA H    1 c 1 
ATOM   1278 H HA   . ASN A 1 86  ? -1.965  3.120  11.040  1.000 30.037  0 86  ASN AAA HA   1 c 1 
ATOM   1279 H HB2  . ASN A 1 86  ? -0.263  5.189  12.006  1.000 31.279  0 86  ASN AAA HB2  1 c 1 
ATOM   1280 H HB3  . ASN A 1 86  ? -0.057  3.643  12.309  1.000 31.549  0 86  ASN AAA HB3  1 c 1 
ATOM   1281 H HD21 . ASN A 1 86  ? 1.757   5.024  9.337   1.000 34.706  0 86  ASN AAA HD21 1 c 1 
ATOM   1282 H HD22 . ASN A 1 86  ? 1.544   5.632  10.725  1.000 35.043  0 86  ASN AAA HD22 1 c 1 
ATOM   1283 N N    . SER A 1 87  ? -2.558  3.040  13.497  1.000 32.155  0 87  SER AAA N    1 ? 1 
ATOM   1284 C CA   . SER A 1 87  ? -3.173  3.032  14.843  1.000 33.274  0 87  SER AAA CA   1 ? 1 
ATOM   1285 C C    . SER A 1 87  ? -4.649  3.384  14.763  1.000 29.632  0 87  SER AAA C    1 ? 1 
ATOM   1286 O O    . SER A 1 87  ? -5.076  4.201  15.520  1.000 28.508  0 87  SER AAA O    1 ? 1 
ATOM   1287 C CB   . SER A 1 87  ? -2.466  3.973  15.761  1.000 37.057  0 87  SER AAA CB   1 ? 1 
ATOM   1288 O OG   . SER A 1 87  ? -1.142  3.543  15.919  1.000 41.285  0 87  SER AAA OG   1 ? 1 
ATOM   1289 H H    . SER A 1 87  ? -2.126  2.267  13.286  1.000 32.107  0 87  SER AAA H    1 c 1 
ATOM   1290 H HA   . SER A 1 87  ? -3.092  2.112  15.212  1.000 33.333  0 87  SER AAA HA   1 c 1 
ATOM   1291 H HB2  . SER A 1 87  ? -2.481  4.883  15.389  1.000 36.789  0 87  SER AAA HB2  1 c 1 
ATOM   1292 H HB3  . SER A 1 87  ? -2.916  3.986  16.637  1.000 37.401  0 87  SER AAA HB3  1 c 1 
ATOM   1293 H HG   . SER A 1 87  ? -0.693  4.111  16.324  0.000 42.050  0 87  SER AAA HG   1 c 1 
ATOM   1294 N N    . LEU A 1 88  ? -5.404  2.704  13.910  1.000 29.209  0 88  LEU AAA N    1 ? 1 
ATOM   1295 C CA   . LEU A 1 88  ? -6.823  3.046  13.698  1.000 29.418  0 88  LEU AAA CA   1 ? 1 
ATOM   1296 C C    . LEU A 1 88  ? -7.627  2.806  14.989  1.000 30.888  0 88  LEU AAA C    1 ? 1 
ATOM   1297 O O    . LEU A 1 88  ? -7.304  1.875  15.748  1.000 30.924  0 88  LEU AAA O    1 ? 1 
ATOM   1298 C CB   . LEU A 1 88  ? -7.329  2.288  12.473  1.000 29.203  0 88  LEU AAA CB   1 ? 1 
ATOM   1299 C CG   . LEU A 1 88  ? -6.938  2.989  11.162  1.000 28.753  0 88  LEU AAA CG   1 ? 1 
ATOM   1300 C CD1  . LEU A 1 88  ? -7.045  2.072  9.990   1.000 27.407  0 88  LEU AAA CD1  1 ? 1 
ATOM   1301 C CD2  . LEU A 1 88  ? -7.796  4.232  10.916  1.000 29.849  0 88  LEU AAA CD2  1 ? 1 
ATOM   1302 H H    . LEU A 1 88  ? -5.095  2.003  13.418  1.000 29.209  0 88  LEU AAA H    1 c 1 
ATOM   1303 H HA   . LEU A 1 88  ? -6.861  4.010  13.503  1.000 29.409  0 88  LEU AAA HA   1 c 1 
ATOM   1304 H HB2  . LEU A 1 88  ? -6.960  1.382  12.478  1.000 29.252  0 88  LEU AAA HB2  1 c 1 
ATOM   1305 H HB3  . LEU A 1 88  ? -8.303  2.219  12.521  1.000 29.181  0 88  LEU AAA HB3  1 c 1 
ATOM   1306 H HG   . LEU A 1 88  ? -5.996  3.278  11.240  1.000 28.830  0 88  LEU AAA HG   1 c 1 
ATOM   1307 H HD11 . LEU A 1 88  ? -6.513  1.274  10.151  1.000 27.867  0 88  LEU AAA HD11 1 c 1 
ATOM   1308 H HD12 . LEU A 1 88  ? -6.717  2.524  9.193   1.000 27.475  0 88  LEU AAA HD12 1 c 1 
ATOM   1309 H HD13 . LEU A 1 88  ? -7.976  1.820  9.859   1.000 27.704  0 88  LEU AAA HD13 1 c 1 
ATOM   1310 H HD21 . LEU A 1 88  ? -8.735  4.007  11.035  1.000 29.507  0 88  LEU AAA HD21 1 c 1 
ATOM   1311 H HD22 . LEU A 1 88  ? -7.653  4.551  10.008  1.000 29.135  0 88  LEU AAA HD22 1 c 1 
ATOM   1312 H HD23 . LEU A 1 88  ? -7.547  4.930  11.546  1.000 29.607  0 88  LEU AAA HD23 1 c 1 
ATOM   1313 N N    . LYS A 1 89  ? -8.583  3.689  15.249  1.000 33.871  0 89  LYS AAA N    1 ? 1 
ATOM   1314 C CA   . LYS A 1 89  ? -9.487  3.653  16.415  1.000 36.711  0 89  LYS AAA CA   1 ? 1 
ATOM   1315 C C    . LYS A 1 89  ? -10.912 3.520  15.922  1.000 37.369  0 89  LYS AAA C    1 ? 1 
ATOM   1316 O O    . LYS A 1 89  ? -11.186 3.933  14.806  1.000 33.629  0 89  LYS AAA O    1 ? 1 
ATOM   1317 C CB   . LYS A 1 89  ? -9.325  4.955  17.191  1.000 38.249  0 89  LYS AAA CB   1 ? 1 
ATOM   1318 C CG   . LYS A 1 89  ? -7.908  5.182  17.618  1.000 39.774  0 89  LYS AAA CG   1 ? 1 
ATOM   1319 C CD   . LYS A 1 89  ? -7.796  6.375  18.445  1.000 45.669  0 89  LYS AAA CD   1 ? 1 
ATOM   1320 C CE   . LYS A 1 89  ? -6.364  6.575  18.841  1.000 50.881  0 89  LYS AAA CE   1 ? 1 
ATOM   1321 N NZ   . LYS A 1 89  ? -6.233  7.851  19.571  1.000 56.276  0 89  LYS AAA NZ   1 ? 1 
ATOM   1322 H H    . LYS A 1 89  ? -8.745  4.398  14.699  1.000 33.335  0 89  LYS AAA H    1 c 1 
ATOM   1323 H HA   . LYS A 1 89  ? -9.254  2.888  16.988  1.000 36.981  0 89  LYS AAA HA   1 c 1 
ATOM   1324 H HB2  . LYS A 1 89  ? -9.615  5.702  16.627  1.000 37.967  0 89  LYS AAA HB2  1 c 1 
ATOM   1325 H HB3  . LYS A 1 89  ? -9.896  4.925  17.984  1.000 38.772  0 89  LYS AAA HB3  1 c 1 
ATOM   1326 H HG2  . LYS A 1 89  ? -7.593  4.403  18.124  1.000 41.030  0 89  LYS AAA HG2  1 c 1 
ATOM   1327 H HG3  . LYS A 1 89  ? -7.341  5.283  16.823  1.000 40.292  0 89  LYS AAA HG3  1 c 1 
ATOM   1328 H HD2  . LYS A 1 89  ? -8.112  7.157  17.943  1.000 45.050  0 89  LYS AAA HD2  1 c 1 
ATOM   1329 H HD3  . LYS A 1 89  ? -8.349  6.273  19.249  1.000 45.819  0 89  LYS AAA HD3  1 c 1 
ATOM   1330 H HE2  . LYS A 1 89  ? -6.070  5.842  19.413  1.000 51.172  0 89  LYS AAA HE2  1 c 1 
ATOM   1331 H HE3  . LYS A 1 89  ? -5.797  6.596  18.047  1.000 50.323  0 89  LYS AAA HE3  1 c 1 
ATOM   1332 H HZ1  . LYS A 1 89  ? -6.511  8.537  19.046  1.000 54.272  0 89  LYS AAA HZ1  1 c 1 
ATOM   1333 H HZ2  . LYS A 1 89  ? -5.366  7.986  19.800  1.000 54.901  0 89  LYS AAA HZ2  1 c 1 
ATOM   1334 H HZ3  . LYS A 1 89  ? -6.739  7.828  20.323  1.000 55.077  0 89  LYS AAA HZ3  1 c 1 
ATOM   1335 N N    . PRO A 1 90  ? -11.859 2.962  16.724  1.000 39.973  0 90  PRO AAA N    1 ? 1 
ATOM   1336 C CA   . PRO A 1 90  ? -13.257 2.858  16.294  1.000 39.742  0 90  PRO AAA CA   1 ? 1 
ATOM   1337 C C    . PRO A 1 90  ? -13.835 4.231  15.919  1.000 37.484  0 90  PRO AAA C    1 ? 1 
ATOM   1338 O O    . PRO A 1 90  ? -14.646 4.236  15.034  1.000 38.316  0 90  PRO AAA O    1 ? 1 
ATOM   1339 C CB   . PRO A 1 90  ? -13.984 2.204  17.493  1.000 41.274  0 90  PRO AAA CB   1 ? 1 
ATOM   1340 C CG   . PRO A 1 90  ? -12.870 1.504  18.235  1.000 41.052  0 90  PRO AAA CG   1 ? 1 
ATOM   1341 C CD   . PRO A 1 90  ? -11.645 2.381  18.068  1.000 41.535  0 90  PRO AAA CD   1 ? 1 
ATOM   1342 H HA   . PRO A 1 90  ? -13.310 2.251  15.515  1.000 39.175  0 90  PRO AAA HA   1 c 1 
ATOM   1343 H HB2  . PRO A 1 90  ? -14.413 2.881  18.060  1.000 41.303  0 90  PRO AAA HB2  1 c 1 
ATOM   1344 H HB3  . PRO A 1 90  ? -14.662 1.564  17.190  1.000 41.029  0 90  PRO AAA HB3  1 c 1 
ATOM   1345 H HG2  . PRO A 1 90  ? -13.095 1.405  19.182  1.000 41.929  0 90  PRO AAA HG2  1 c 1 
ATOM   1346 H HG3  . PRO A 1 90  ? -12.710 0.615  17.857  1.000 41.221  0 90  PRO AAA HG3  1 c 1 
ATOM   1347 H HD2  . PRO A 1 90  ? -11.608 3.074  18.752  1.000 41.489  0 90  PRO AAA HD2  1 c 1 
ATOM   1348 H HD3  . PRO A 1 90  ? -10.826 1.853  18.100  1.000 41.128  0 90  PRO AAA HD3  1 c 1 
ATOM   1349 N N    . GLU A 1 91  ? -13.382 5.325  16.545  1.000 35.684  0 91  GLU AAA N    1 ? 1 
ATOM   1350 C CA   . GLU A 1 91  ? -13.841 6.710  16.260  1.000 37.475  0 91  GLU AAA CA   1 ? 1 
ATOM   1351 C C    . GLU A 1 91  ? -13.340 7.201  14.886  1.000 34.350  0 91  GLU AAA C    1 ? 1 
ATOM   1352 O O    . GLU A 1 91  ? -13.818 8.255  14.440  1.000 34.397  0 91  GLU AAA O    1 ? 1 
ATOM   1353 C CB   . GLU A 1 91  ? -13.367 7.667  17.346  1.000 42.568  0 91  GLU AAA CB   1 ? 1 
ATOM   1354 C CG   . GLU A 1 91  ? -11.918 7.497  17.757  1.000 49.065  0 91  GLU AAA CG   1 ? 1 
ATOM   1355 C CD   . GLU A 1 91  ? -11.679 6.752  19.074  1.000 56.642  0 91  GLU AAA CD   1 ? 1 
ATOM   1356 O OE1  . GLU A 1 91  ? -11.961 5.493  19.167  1.000 58.080  0 91  GLU AAA OE1  1 ? 1 
ATOM   1357 O OE2  . GLU A 1 91  ? -11.193 7.429  20.032  1.000 69.093  0 91  GLU AAA OE2  1 ? 1 
ATOM   1358 H H    . GLU A 1 91  ? -12.773 5.273  17.213  1.000 36.926  0 91  GLU AAA H    1 c 1 
ATOM   1359 H HA   . GLU A 1 91  ? -14.826 6.710  16.250  1.000 37.663  0 91  GLU AAA HA   1 c 1 
ATOM   1360 H HB2  . GLU A 1 91  ? -13.498 8.585  17.030  1.000 42.594  0 91  GLU AAA HB2  1 c 1 
ATOM   1361 H HB3  . GLU A 1 91  ? -13.935 7.542  18.135  1.000 43.323  0 91  GLU AAA HB3  1 c 1 
ATOM   1362 H HG2  . GLU A 1 91  ? -11.440 7.022  17.045  1.000 48.356  0 91  GLU AAA HG2  1 c 1 
ATOM   1363 H HG3  . GLU A 1 91  ? -11.511 8.386  17.834  1.000 48.869  0 91  GLU AAA HG3  1 c 1 
ATOM   1364 N N    . ASP A 1 92  ? -12.413 6.498  14.224  1.000 30.631  0 92  ASP AAA N    1 ? 1 
ATOM   1365 C CA   . ASP A 1 92  ? -11.974 6.842  12.838  1.000 28.255  0 92  ASP AAA CA   1 ? 1 
ATOM   1366 C C    . ASP A 1 92  ? -13.000 6.289  11.835  1.000 27.505  0 92  ASP AAA C    1 ? 1 
ATOM   1367 O O    . ASP A 1 92  ? -12.867 6.568  10.641  1.000 28.652  0 92  ASP AAA O    1 ? 1 
ATOM   1368 C CB   . ASP A 1 92  ? -10.551 6.342  12.598  1.000 28.204  0 92  ASP AAA CB   1 ? 1 
ATOM   1369 C CG   . ASP A 1 92  ? -9.497  6.943  13.510  1.000 29.446  0 92  ASP AAA CG   1 ? 1 
ATOM   1370 O OD1  . ASP A 1 92  ? -9.529  8.167  13.730  1.000 30.459  0 92  ASP AAA OD1  1 ? 1 
ATOM   1371 O OD2  . ASP A 1 92  ? -8.582  6.189  13.939  1.000 29.765  0 92  ASP AAA OD2  1 ? 1 
ATOM   1372 H H    . ASP A 1 92  ? -11.983 5.780  14.581  1.000 31.083  0 92  ASP AAA H    1 c 1 
ATOM   1373 H HA   . ASP A 1 92  ? -11.966 7.822  12.757  1.000 28.450  0 92  ASP AAA HA   1 c 1 
ATOM   1374 H HB2  . ASP A 1 92  ? -10.534 5.370  12.712  1.000 28.496  0 92  ASP AAA HB2  1 c 1 
ATOM   1375 H HB3  . ASP A 1 92  ? -10.300 6.543  11.673  1.000 28.039  0 92  ASP AAA HB3  1 c 1 
ATOM   1376 N N    . THR A 1 93  ? -14.016 5.537  12.290  1.000 26.377  0 93  THR AAA N    1 ? 1 
ATOM   1377 C CA   . THR A 1 93  ? -15.073 4.964  11.425  1.000 26.181  0 93  THR AAA CA   1 ? 1 
ATOM   1378 C C    . THR A 1 93  ? -15.795 6.135  10.754  1.000 27.168  0 93  THR AAA C    1 ? 1 
ATOM   1379 O O    . THR A 1 93  ? -16.289 7.033  11.456  1.000 25.524  0 93  THR AAA O    1 ? 1 
ATOM   1380 C CB   . THR A 1 93  ? -16.019 4.002  12.170  1.000 26.168  0 93  THR AAA CB   1 ? 1 
ATOM   1381 O OG1  . THR A 1 93  ? -15.218 2.904  12.612  1.000 25.424  0 93  THR AAA OG1  1 ? 1 
ATOM   1382 C CG2  . THR A 1 93  ? -17.122 3.489  11.275  1.000 25.736  0 93  THR AAA CG2  1 ? 1 
ATOM   1383 H H    . THR A 1 93  ? -14.120 5.307  13.163  1.000 27.044  0 93  THR AAA H    1 c 1 
ATOM   1384 H HA   . THR A 1 93  ? -14.619 4.448  10.723  1.000 26.017  0 93  THR AAA HA   1 c 1 
ATOM   1385 H HB   . THR A 1 93  ? -16.409 4.467  12.949  1.000 26.378  0 93  THR AAA HB   1 c 1 
ATOM   1386 H HG1  . THR A 1 93  ? -15.659 2.384  13.061  0.000 25.120  0 93  THR AAA HG1  1 c 1 
ATOM   1387 H HG21 . THR A 1 93  ? -17.795 4.183  11.154  1.000 26.054  0 93  THR AAA HG21 1 c 1 
ATOM   1388 H HG22 . THR A 1 93  ? -17.536 2.707  11.684  1.000 26.228  0 93  THR AAA HG22 1 c 1 
ATOM   1389 H HG23 . THR A 1 93  ? -16.752 3.242  10.409  1.000 25.561  0 93  THR AAA HG23 1 c 1 
ATOM   1390 N N    . ALA A 1 94  ? -15.768 6.159  9.428   1.000 26.869  0 94  ALA AAA N    1 ? 1 
ATOM   1391 C CA   . ALA A 1 94  ? -16.322 7.258  8.616   1.000 25.671  0 94  ALA AAA CA   1 ? 1 
ATOM   1392 C C    . ALA A 1 94  ? -16.191 6.902  7.131   1.000 24.360  0 94  ALA AAA C    1 ? 1 
ATOM   1393 O O    . ALA A 1 94  ? -15.376 6.018  6.794   1.000 23.058  0 94  ALA AAA O    1 ? 1 
ATOM   1394 C CB   . ALA A 1 94  ? -15.608 8.544  8.961   1.000 25.601  0 94  ALA AAA CB   1 ? 1 
ATOM   1395 H H    . ALA A 1 94  ? -15.406 5.496  8.920   1.000 26.387  0 94  ALA AAA H    1 c 1 
ATOM   1396 H HA   . ALA A 1 94  ? -17.279 7.357  8.832   1.000 26.067  0 94  ALA AAA HA   1 c 1 
ATOM   1397 H HB1  . ALA A 1 94  ? -15.784 9.207  8.273   1.000 25.454  0 94  ALA AAA HB1  1 c 1 
ATOM   1398 H HB2  . ALA A 1 94  ? -15.927 8.876  9.817   1.000 25.856  0 94  ALA AAA HB2  1 c 1 
ATOM   1399 H HB3  . ALA A 1 94  ? -14.651 8.380  9.014   1.000 25.325  0 94  ALA AAA HB3  1 c 1 
ATOM   1400 N N    . VAL A 1 95  ? -16.953 7.608  6.299   1.000 24.704  0 95  VAL AAA N    1 ? 1 
ATOM   1401 C CA   . VAL A 1 95  ? -16.693 7.751  4.849   1.000 23.548  0 95  VAL AAA CA   1 ? 1 
ATOM   1402 C C    . VAL A 1 95  ? -15.651 8.854  4.640   1.000 24.009  0 95  VAL AAA C    1 ? 1 
ATOM   1403 O O    . VAL A 1 95  ? -15.796 9.941  5.182   1.000 23.948  0 95  VAL AAA O    1 ? 1 
ATOM   1404 C CB   . VAL A 1 95  ? -17.970 8.034  4.051   1.000 24.285  0 95  VAL AAA CB   1 ? 1 
ATOM   1405 C CG1  . VAL A 1 95  ? -17.656 8.047  2.547   1.000 24.515  0 95  VAL AAA CG1  1 ? 1 
ATOM   1406 C CG2  . VAL A 1 95  ? -19.035 7.006  4.346   1.000 25.134  0 95  VAL AAA CG2  1 ? 1 
ATOM   1407 H H    . VAL A 1 95  ? -17.688 8.066  6.582   1.000 24.727  0 95  VAL AAA H    1 c 1 
ATOM   1408 H HA   . VAL A 1 95  ? -16.317 6.912  4.528   1.000 23.814  0 95  VAL AAA HA   1 c 1 
ATOM   1409 H HB   . VAL A 1 95  ? -18.309 8.926  4.312   1.000 24.494  0 95  VAL AAA HB   1 c 1 
ATOM   1410 H HG11 . VAL A 1 95  ? -17.080 8.802  2.340   1.000 24.162  0 95  VAL AAA HG11 1 c 1 
ATOM   1411 H HG12 . VAL A 1 95  ? -18.485 8.125  2.043   1.000 24.729  0 95  VAL AAA HG12 1 c 1 
ATOM   1412 H HG13 . VAL A 1 95  ? -17.206 7.220  2.303   1.000 24.248  0 95  VAL AAA HG13 1 c 1 
ATOM   1413 H HG21 . VAL A 1 95  ? -18.677 6.115  4.193   1.000 24.917  0 95  VAL AAA HG21 1 c 1 
ATOM   1414 H HG22 . VAL A 1 95  ? -19.799 7.152  3.761   1.000 25.336  0 95  VAL AAA HG22 1 c 1 
ATOM   1415 H HG23 . VAL A 1 95  ? -19.320 7.086  5.273   1.000 25.221  0 95  VAL AAA HG23 1 c 1 
ATOM   1416 N N    . TYR A 1 96  ? -14.597 8.527  3.924   1.000 22.467  0 96  TYR AAA N    1 ? 1 
ATOM   1417 C CA   . TYR A 1 96  ? -13.446 9.394  3.679   1.000 22.433  0 96  TYR AAA CA   1 ? 1 
ATOM   1418 C C    . TYR A 1 96  ? -13.525 9.874  2.246   1.000 21.484  0 96  TYR AAA C    1 ? 1 
ATOM   1419 O O    . TYR A 1 96  ? -13.756 9.059  1.345   1.000 21.644  0 96  TYR AAA O    1 ? 1 
ATOM   1420 C CB   . TYR A 1 96  ? -12.145 8.653  3.955   1.000 21.888  0 96  TYR AAA CB   1 ? 1 
ATOM   1421 C CG   . TYR A 1 96  ? -11.853 8.529  5.405   1.000 22.740  0 96  TYR AAA CG   1 ? 1 
ATOM   1422 C CD1  . TYR A 1 96  ? -12.558 7.633  6.182   1.000 24.607  0 96  TYR AAA CD1  1 ? 1 
ATOM   1423 C CD2  . TYR A 1 96  ? -10.930 9.355  6.018   1.000 22.670  0 96  TYR AAA CD2  1 ? 1 
ATOM   1424 C CE1  . TYR A 1 96  ? -12.312 7.545  7.551   1.000 25.452  0 96  TYR AAA CE1  1 ? 1 
ATOM   1425 C CE2  . TYR A 1 96  ? -10.676 9.281  7.365   1.000 22.344  0 96  TYR AAA CE2  1 ? 1 
ATOM   1426 C CZ   . TYR A 1 96  ? -11.354 8.353  8.146   1.000 24.024  0 96  TYR AAA CZ   1 ? 1 
ATOM   1427 O OH   . TYR A 1 96  ? -11.041 8.260  9.471   1.000 24.248  0 96  TYR AAA OH   1 ? 1 
ATOM   1428 H H    . TYR A 1 96  ? -14.511 7.718  3.514   1.000 22.786  0 96  TYR AAA H    1 c 1 
ATOM   1429 H HA   . TYR A 1 96  ? -13.501 10.176 4.281   1.000 22.188  0 96  TYR AAA HA   1 c 1 
ATOM   1430 H HB2  . TYR A 1 96  ? -12.202 7.758  3.561   1.000 22.145  0 96  TYR AAA HB2  1 c 1 
ATOM   1431 H HB3  . TYR A 1 96  ? -11.410 9.132  3.518   1.000 21.969  0 96  TYR AAA HB3  1 c 1 
ATOM   1432 H HD1  . TYR A 1 96  ? -13.203 7.073  5.784   1.000 24.362  0 96  TYR AAA HD1  1 c 1 
ATOM   1433 H HD2  . TYR A 1 96  ? -10.455 9.981  5.496   1.000 22.484  0 96  TYR AAA HD2  1 c 1 
ATOM   1434 H HE1  . TYR A 1 96  ? -12.769 6.905  8.069   1.000 25.046  0 96  TYR AAA HE1  1 c 1 
ATOM   1435 H HE2  . TYR A 1 96  ? -10.012 9.828  7.752   1.000 22.861  0 96  TYR AAA HE2  1 c 1 
ATOM   1436 H HH   . TYR A 1 96  ? -11.529 7.666  9.849   0.000 23.820  0 96  TYR AAA HH   1 c 1 
ATOM   1437 N N    . TYR A 1 97  ? -13.344 11.191 2.088   1.000 21.582  0 97  TYR AAA N    1 ? 1 
ATOM   1438 C CA   . TYR A 1 97  ? -13.446 11.936 0.815   1.000 22.294  0 97  TYR AAA CA   1 ? 1 
ATOM   1439 C C    . TYR A 1 97  ? -12.176 12.761 0.600   1.000 21.840  0 97  TYR AAA C    1 ? 1 
ATOM   1440 O O    . TYR A 1 97  ? -11.675 13.290 1.552   1.000 22.879  0 97  TYR AAA O    1 ? 1 
ATOM   1441 C CB   . TYR A 1 97  ? -14.630 12.898 0.860   1.000 24.077  0 97  TYR AAA CB   1 ? 1 
ATOM   1442 C CG   . TYR A 1 97  ? -15.964 12.244 1.055   1.000 23.385  0 97  TYR AAA CG   1 ? 1 
ATOM   1443 C CD1  . TYR A 1 97  ? -16.749 11.836 -0.016  1.000 24.698  0 97  TYR AAA CD1  1 ? 1 
ATOM   1444 C CD2  . TYR A 1 97  ? -16.458 12.127 2.331   1.000 25.407  0 97  TYR AAA CD2  1 ? 1 
ATOM   1445 C CE1  . TYR A 1 97  ? -18.001 11.288 0.186   1.000 26.099  0 97  TYR AAA CE1  1 ? 1 
ATOM   1446 C CE2  . TYR A 1 97  ? -17.707 11.595 2.553   1.000 26.627  0 97  TYR AAA CE2  1 ? 1 
ATOM   1447 C CZ   . TYR A 1 97  ? -18.472 11.149 1.485   1.000 28.636  0 97  TYR AAA CZ   1 ? 1 
ATOM   1448 O OH   . TYR A 1 97  ? -19.706 10.586 1.774   1.000 29.394  0 97  TYR AAA OH   1 ? 1 
ATOM   1449 H H    . TYR A 1 97  ? -13.134 11.740 2.783   1.000 21.671  0 97  TYR AAA H    1 c 1 
ATOM   1450 H HA   . TYR A 1 97  ? -13.561 11.301 0.066   1.000 22.451  0 97  TYR AAA HA   1 c 1 
ATOM   1451 H HB2  . TYR A 1 97  ? -14.481 13.535 1.588   1.000 23.414  0 97  TYR AAA HB2  1 c 1 
ATOM   1452 H HB3  . TYR A 1 97  ? -14.647 13.403 0.021   1.000 23.524  0 97  TYR AAA HB3  1 c 1 
ATOM   1453 H HD1  . TYR A 1 97  ? -16.421 11.930 -0.895  1.000 24.760  0 97  TYR AAA HD1  1 c 1 
ATOM   1454 H HD2  . TYR A 1 97  ? -15.943 12.425 3.062   1.000 25.020  0 97  TYR AAA HD2  1 c 1 
ATOM   1455 H HE1  . TYR A 1 97  ? -18.516 10.985 -0.544  1.000 26.675  0 97  TYR AAA HE1  1 c 1 
ATOM   1456 H HE2  . TYR A 1 97  ? -18.025 11.489 3.434   1.000 26.877  0 97  TYR AAA HE2  1 c 1 
ATOM   1457 H HH   . TYR A 1 97  ? -20.092 10.336 1.016   0.000 30.690  0 97  TYR AAA HH   1 c 1 
ATOM   1458 N N    A CYS A 1 98  ? -11.612 12.796 -0.630  0.500 21.609  0 98  CYS AAA N    1 ? 1 
ATOM   1459 N N    B CYS A 1 98  ? -11.755 12.834 -0.664  0.500 21.295  0 98  CYS AAA N    1 ? 1 
ATOM   1460 C CA   A CYS A 1 98  ? -10.557 13.784 -1.034  0.500 21.735  0 98  CYS AAA CA   1 ? 1 
ATOM   1461 C CA   B CYS A 1 98  ? -10.709 13.738 -1.184  0.500 21.147  0 98  CYS AAA CA   1 ? 1 
ATOM   1462 C C    A CYS A 1 98  ? -11.215 14.908 -1.853  0.500 21.203  0 98  CYS AAA C    1 ? 1 
ATOM   1463 C C    B CYS A 1 98  ? -11.353 14.969 -1.825  0.500 20.732  0 98  CYS AAA C    1 ? 1 
ATOM   1464 O O    A CYS A 1 98  ? -12.106 14.629 -2.691  0.500 19.828  0 98  CYS AAA O    1 ? 1 
ATOM   1465 O O    B CYS A 1 98  ? -12.358 14.836 -2.545  0.500 19.229  0 98  CYS AAA O    1 ? 1 
ATOM   1466 C CB   A CYS A 1 98  ? -9.398  13.177 -1.816  0.500 23.303  0 98  CYS AAA CB   1 ? 1 
ATOM   1467 C CB   B CYS A 1 98  ? -9.932  12.996 -2.238  0.500 22.111  0 98  CYS AAA CB   1 ? 1 
ATOM   1468 S SG   A CYS A 1 98  ? -9.960  12.543 -3.415  0.500 26.573  0 98  CYS AAA SG   1 ? 1 
ATOM   1469 S SG   B CYS A 1 98  ? -8.365  13.780 -2.648  0.500 24.074  0 98  CYS AAA SG   1 ? 1 
ATOM   1470 H H    A CYS A 1 98  ? -11.831 12.222 -1.302  0.500 21.805  0 98  CYS AAA H    1 c 1 
ATOM   1471 H H    B CYS A 1 98  ? -12.099 12.306 -1.322  0.500 21.534  0 98  CYS AAA H    1 c 1 
ATOM   1472 H HA   A CYS A 1 98  ? -10.192 14.177 -0.212  0.500 21.734  0 98  CYS AAA HA   1 c 1 
ATOM   1473 H HA   B CYS A 1 98  ? -10.111 14.007 -0.452  0.500 21.079  0 98  CYS AAA HA   1 c 1 
ATOM   1474 H HB2  A CYS A 1 98  ? -8.709  13.856 -1.965  0.500 23.523  0 98  CYS AAA HB2  1 c 1 
ATOM   1475 H HB2  B CYS A 1 98  ? -9.753  12.086 -1.924  0.500 22.268  0 98  CYS AAA HB2  1 c 1 
ATOM   1476 H HB3  A CYS A 1 98  ? -9.003  12.443 -1.302  0.500 23.462  0 98  CYS AAA HB3  1 c 1 
ATOM   1477 H HB3  B CYS A 1 98  ? -10.472 12.935 -3.052  0.500 22.519  0 98  CYS AAA HB3  1 c 1 
ATOM   1478 N N    . ASN A 1 99  ? -10.772 16.135 -1.610  1.000 19.959  0 99  ASN AAA N    1 ? 1 
ATOM   1479 C CA   . ASN A 1 99  ? -11.284 17.341 -2.303  1.000 20.170  0 99  ASN AAA CA   1 ? 1 
ATOM   1480 C C    . ASN A 1 99  ? -10.180 18.390 -2.212  1.000 19.305  0 99  ASN AAA C    1 ? 1 
ATOM   1481 O O    . ASN A 1 99  ? -9.221  18.177 -1.460  1.000 17.689  0 99  ASN AAA O    1 ? 1 
ATOM   1482 C CB   . ASN A 1 99  ? -12.646 17.781 -1.723  1.000 20.058  0 99  ASN AAA CB   1 ? 1 
ATOM   1483 C CG   . ASN A 1 99  ? -13.541 18.299 -2.815  1.000 21.472  0 99  ASN AAA CG   1 ? 1 
ATOM   1484 O OD1  . ASN A 1 99  ? -13.116 19.023 -3.696  1.000 22.093  0 99  ASN AAA OD1  1 ? 1 
ATOM   1485 N ND2  . ASN A 1 99  ? -14.820 17.995 -2.728  1.000 24.395  0 99  ASN AAA ND2  1 ? 1 
ATOM   1486 H H    . ASN A 1 99  ? -10.094 16.267 -1.015  1.000 20.170  0 99  ASN AAA H    1 c 1 
ATOM   1487 H HA   . ASN A 1 99  ? -11.419 17.116 -3.253  1.000 20.118  0 99  ASN AAA HA   1 c 1 
ATOM   1488 H HB2  . ASN A 1 99  ? -13.073 17.021 -1.280  1.000 20.403  0 99  ASN AAA HB2  1 c 1 
ATOM   1489 H HB3  . ASN A 1 99  ? -12.502 18.486 -1.059  1.000 20.320  0 99  ASN AAA HB3  1 c 1 
ATOM   1490 H HD21 . ASN A 1 99  ? -15.405 18.390 -3.262  1.000 23.863  0 99  ASN AAA HD21 1 c 1 
ATOM   1491 H HD22 . ASN A 1 99  ? -15.091 17.401 -2.144  1.000 23.530  0 99  ASN AAA HD22 1 c 1 
ATOM   1492 N N    . PHE A 1 100 ? -10.431 19.537 -2.834  1.000 19.546  0 100 PHE AAA N    1 ? 1 
ATOM   1493 C CA   . PHE A 1 100 ? -9.576  20.742 -2.657  1.000 20.518  0 100 PHE AAA CA   1 ? 1 
ATOM   1494 C C    . PHE A 1 100 ? -9.601  21.162 -1.189  1.000 19.366  0 100 PHE AAA C    1 ? 1 
ATOM   1495 O O    . PHE A 1 100 ? -10.605 20.870 -0.536  1.000 20.085  0 100 PHE AAA O    1 ? 1 
ATOM   1496 C CB   . PHE A 1 100 ? -10.064 21.883 -3.533  1.000 21.276  0 100 PHE AAA CB   1 ? 1 
ATOM   1497 C CG   . PHE A 1 100 ? -10.050 21.512 -4.978  1.000 23.904  0 100 PHE AAA CG   1 ? 1 
ATOM   1498 C CD1  . PHE A 1 100 ? -8.857  21.394 -5.650  1.000 26.496  0 100 PHE AAA CD1  1 ? 1 
ATOM   1499 C CD2  . PHE A 1 100 ? -11.221 21.225 -5.651  1.000 27.404  0 100 PHE AAA CD2  1 ? 1 
ATOM   1500 C CE1  . PHE A 1 100 ? -8.822  21.069 -6.990  1.000 28.563  0 100 PHE AAA CE1  1 ? 1 
ATOM   1501 C CE2  . PHE A 1 100 ? -11.193 20.898 -6.998  1.000 29.853  0 100 PHE AAA CE2  1 ? 1 
ATOM   1502 C CZ   . PHE A 1 100 ? -9.992  20.813 -7.666  1.000 28.946  0 100 PHE AAA CZ   1 ? 1 
ATOM   1503 H H    . PHE A 1 100 ? -11.138 19.673 -3.389  1.000 20.007  0 100 PHE AAA H    1 c 1 
ATOM   1504 H HA   . PHE A 1 100 ? -8.645  20.515 -2.909  1.000 20.128  0 100 PHE AAA HA   1 c 1 
ATOM   1505 H HB2  . PHE A 1 100 ? -10.975 22.124 -3.265  1.000 21.843  0 100 PHE AAA HB2  1 c 1 
ATOM   1506 H HB3  . PHE A 1 100 ? -9.486  22.662 -3.392  1.000 21.684  0 100 PHE AAA HB3  1 c 1 
ATOM   1507 H HD1  . PHE A 1 100 ? -8.052  21.585 -5.197  1.000 26.123  0 100 PHE AAA HD1  1 c 1 
ATOM   1508 H HD2  . PHE A 1 100 ? -12.048 21.300 -5.202  1.000 27.143  0 100 PHE AAA HD2  1 c 1 
ATOM   1509 H HE1  . PHE A 1 100 ? -7.994  21.007 -7.439  1.000 28.058  0 100 PHE AAA HE1  1 c 1 
ATOM   1510 H HE2  . PHE A 1 100 ? -12.000 20.718 -7.454  1.000 29.209  0 100 PHE AAA HE2  1 c 1 
ATOM   1511 H HZ   . PHE A 1 100 ? -9.971  20.570 -8.578  1.000 29.176  0 100 PHE AAA HZ   1 c 1 
ATOM   1512 N N    . ALA A 1 101 ? -8.511  21.749 -0.711  1.000 18.333  0 101 ALA AAA N    1 ? 1 
ATOM   1513 C CA   . ALA A 1 101 ? -8.403  22.310 0.635   1.000 18.354  0 101 ALA AAA CA   1 ? 1 
ATOM   1514 C C    . ALA A 1 101 ? -7.682  23.667 0.561   1.000 19.141  0 101 ALA AAA C    1 ? 1 
ATOM   1515 O O    . ALA A 1 101 ? -6.558  23.795 1.045   1.000 18.758  0 101 ALA AAA O    1 ? 1 
ATOM   1516 C CB   . ALA A 1 101 ? -7.744  21.274 1.493   1.000 17.959  0 101 ALA AAA CB   1 ? 1 
ATOM   1517 H H    . ALA A 1 101 ? -7.744  21.845 -1.191  1.000 18.565  0 101 ALA AAA H    1 c 1 
ATOM   1518 H HA   . ALA A 1 101 ? -9.313  22.465 0.979   1.000 18.517  0 101 ALA AAA HA   1 c 1 
ATOM   1519 H HB1  . ALA A 1 101 ? -7.654  21.611 2.400   1.000 18.087  0 101 ALA AAA HB1  1 c 1 
ATOM   1520 H HB2  . ALA A 1 101 ? -8.285  20.466 1.501   1.000 17.993  0 101 ALA AAA HB2  1 c 1 
ATOM   1521 H HB3  . ALA A 1 101 ? -6.863  21.069 1.135   1.000 17.999  0 101 ALA AAA HB3  1 c 1 
ATOM   1522 N N    . PRO A 1 102 ? -8.302  24.735 -0.039  1.000 19.772  0 102 PRO AAA N    1 ? 1 
ATOM   1523 C CA   . PRO A 1 102 ? -7.640  26.035 -0.226  1.000 19.297  0 102 PRO AAA CA   1 ? 1 
ATOM   1524 C C    . PRO A 1 102 ? -7.169  26.520 1.134   1.000 19.136  0 102 PRO AAA C    1 ? 1 
ATOM   1525 O O    . PRO A 1 102 ? -7.955  26.408 2.030   1.000 18.550  0 102 PRO AAA O    1 ? 1 
ATOM   1526 C CB   . PRO A 1 102 ? -8.734  26.968 -0.746  1.000 19.765  0 102 PRO AAA CB   1 ? 1 
ATOM   1527 C CG   . PRO A 1 102 ? -9.914  26.147 -1.045  1.000 19.918  0 102 PRO AAA CG   1 ? 1 
ATOM   1528 C CD   . PRO A 1 102 ? -9.659  24.727 -0.589  1.000 19.328  0 102 PRO AAA CD   1 ? 1 
ATOM   1529 H HA   . PRO A 1 102 ? -6.893  25.964 -0.872  1.000 19.431  0 102 PRO AAA HA   1 c 1 
ATOM   1530 H HB2  . PRO A 1 102 ? -8.957  27.647 -0.073  1.000 19.812  0 102 PRO AAA HB2  1 c 1 
ATOM   1531 H HB3  . PRO A 1 102 ? -8.430  27.430 -1.556  1.000 19.846  0 102 PRO AAA HB3  1 c 1 
ATOM   1532 H HG2  . PRO A 1 102 ? -10.698 26.509 -0.584  1.000 19.932  0 102 PRO AAA HG2  1 c 1 
ATOM   1533 H HG3  . PRO A 1 102 ? -10.095 26.161 -2.007  1.000 19.931  0 102 PRO AAA HG3  1 c 1 
ATOM   1534 H HD2  . PRO A 1 102 ? -10.304 24.460 0.092   1.000 19.555  0 102 PRO AAA HD2  1 c 1 
ATOM   1535 H HD3  . PRO A 1 102 ? -9.722  24.106 -1.339  1.000 19.538  0 102 PRO AAA HD3  1 c 1 
ATOM   1536 N N    . GLY A 1 103 ? -5.967  27.053 1.241   1.000 19.549  0 103 GLY AAA N    1 ? 1 
ATOM   1537 C CA   . GLY A 1 103 ? -5.433  27.644 2.479   1.000 19.778  0 103 GLY AAA CA   1 ? 1 
ATOM   1538 C C    . GLY A 1 103 ? -5.207  26.619 3.542   1.000 18.933  0 103 GLY AAA C    1 ? 1 
ATOM   1539 O O    . GLY A 1 103 ? -5.124  27.001 4.676   1.000 20.839  0 103 GLY AAA O    1 ? 1 
ATOM   1540 H H    . GLY A 1 103 ? -5.389  27.085 0.538   1.000 19.519  0 103 GLY AAA H    1 c 1 
ATOM   1541 H HA2  . GLY A 1 103 ? -4.579  28.091 2.273   1.000 19.692  0 103 GLY AAA HA2  1 c 1 
ATOM   1542 H HA3  . GLY A 1 103 ? -6.068  28.328 2.810   1.000 19.666  0 103 GLY AAA HA3  1 c 1 
ATOM   1543 N N    . LEU A 1 104 ? -5.126  25.353 3.138   1.000 19.036  0 104 LEU AAA N    1 ? 1 
ATOM   1544 C CA   . LEU A 1 104 ? -5.101  24.144 3.993   1.000 19.361  0 104 LEU AAA CA   1 ? 1 
ATOM   1545 C C    . LEU A 1 104 ? -6.276  24.121 4.976   1.000 22.047  0 104 LEU AAA C    1 ? 1 
ATOM   1546 O O    . LEU A 1 104 ? -6.140  23.607 6.062   1.000 22.581  0 104 LEU AAA O    1 ? 1 
ATOM   1547 C CB   . LEU A 1 104 ? -3.775  24.022 4.726   1.000 19.147  0 104 LEU AAA CB   1 ? 1 
ATOM   1548 C CG   . LEU A 1 104 ? -2.509  23.965 3.881   1.000 20.389  0 104 LEU AAA CG   1 ? 1 
ATOM   1549 C CD1  . LEU A 1 104 ? -1.288  23.952 4.761   1.000 21.004  0 104 LEU AAA CD1  1 ? 1 
ATOM   1550 C CD2  . LEU A 1 104 ? -2.520  22.823 2.934   1.000 20.069  0 104 LEU AAA CD2  1 ? 1 
ATOM   1551 H H    . LEU A 1 104 ? -5.051  25.142 2.256   1.000 18.987  0 104 LEU AAA H    1 c 1 
ATOM   1552 H HA   . LEU A 1 104 ? -5.199  23.365 3.399   1.000 19.529  0 104 LEU AAA HA   1 c 1 
ATOM   1553 H HB2  . LEU A 1 104 ? -3.698  24.782 5.337   1.000 19.698  0 104 LEU AAA HB2  1 c 1 
ATOM   1554 H HB3  . LEU A 1 104 ? -3.807  23.213 5.275   1.000 19.507  0 104 LEU AAA HB3  1 c 1 
ATOM   1555 H HG   . LEU A 1 104 ? -2.476  24.793 3.343   1.000 20.233  0 104 LEU AAA HG   1 c 1 
ATOM   1556 H HD11 . LEU A 1 104 ? -1.277  24.754 5.313   1.000 21.095  0 104 LEU AAA HD11 1 c 1 
ATOM   1557 H HD12 . LEU A 1 104 ? -0.488  23.930 4.207   1.000 21.021  0 104 LEU AAA HD12 1 c 1 
ATOM   1558 H HD13 . LEU A 1 104 ? -1.308  23.166 5.333   1.000 20.915  0 104 LEU AAA HD13 1 c 1 
ATOM   1559 H HD21 . LEU A 1 104 ? -2.737  22.004 3.414   1.000 20.029  0 104 LEU AAA HD21 1 c 1 
ATOM   1560 H HD22 . LEU A 1 104 ? -1.643  22.733 2.522   1.000 20.218  0 104 LEU AAA HD22 1 c 1 
ATOM   1561 H HD23 . LEU A 1 104 ? -3.186  22.979 2.242   1.000 19.975  0 104 LEU AAA HD23 1 c 1 
ATOM   1562 N N    . GLN A 1 105 ? -7.446  24.538 4.516   1.000 21.337  0 105 GLN AAA N    1 ? 1 
ATOM   1563 C CA   . GLN A 1 105 ? -8.698  24.575 5.237   1.000 22.486  0 105 GLN AAA CA   1 ? 1 
ATOM   1564 C C    . GLN A 1 105 ? -9.772  24.048 4.294   1.000 21.915  0 105 GLN AAA C    1 ? 1 
ATOM   1565 O O    . GLN A 1 105 ? -9.541  23.764 3.084   1.000 20.629  0 105 GLN AAA O    1 ? 1 
ATOM   1566 C CB   . GLN A 1 105 ? -8.988  25.984 5.767   1.000 25.423  0 105 GLN AAA CB   1 ? 1 
ATOM   1567 C CG   . GLN A 1 105 ? -7.992  26.474 6.782   1.000 29.462  0 105 GLN AAA CG   1 ? 1 
ATOM   1568 C CD   . GLN A 1 105 ? -7.929  25.704 8.090   1.000 37.842  0 105 GLN AAA CD   1 ? 1 
ATOM   1569 O OE1  . GLN A 1 105 ? -8.804  24.896 8.434   1.000 42.468  0 105 GLN AAA OE1  1 ? 1 
ATOM   1570 N NE2  . GLN A 1 105 ? -6.879  25.968 8.859   1.000 40.388  0 105 GLN AAA NE2  1 ? 1 
ATOM   1571 H H    . GLN A 1 105 ? -7.533  24.844 3.662   1.000 21.673  0 105 GLN AAA H    1 c 1 
ATOM   1572 H HA   . GLN A 1 105 ? -8.632  23.959 6.002   1.000 22.744  0 105 GLN AAA HA   1 c 1 
ATOM   1573 H HB2  . GLN A 1 105 ? -9.001  26.604 5.008   1.000 25.570  0 105 GLN AAA HB2  1 c 1 
ATOM   1574 H HB3  . GLN A 1 105 ? -9.880  25.989 6.171   1.000 25.710  0 105 GLN AAA HB3  1 c 1 
ATOM   1575 H HG2  . GLN A 1 105 ? -7.101  26.459 6.374   1.000 30.054  0 105 GLN AAA HG2  1 c 1 
ATOM   1576 H HG3  . GLN A 1 105 ? -8.198  27.411 6.988   1.000 30.338  0 105 GLN AAA HG3  1 c 1 
ATOM   1577 H HE21 . GLN A 1 105 ? -6.774  25.542 9.626   1.000 39.804  0 105 GLN AAA HE21 1 c 1 
ATOM   1578 H HE22 . GLN A 1 105 ? -6.284  26.571 8.605   1.000 39.636  0 105 GLN AAA HE22 1 c 1 
ATOM   1579 N N    . SER A 1 106 ? -10.970 23.956 4.835   1.000 23.655  0 106 SER AAA N    1 ? 1 
ATOM   1580 C CA   . SER A 1 106 ? -12.094 23.284 4.186   1.000 25.990  0 106 SER AAA CA   1 ? 1 
ATOM   1581 C C    . SER A 1 106 ? -12.572 24.070 2.975   1.000 26.500  0 106 SER AAA C    1 ? 1 
ATOM   1582 O O    . SER A 1 106 ? -12.635 25.336 3.043   1.000 25.154  0 106 SER AAA O    1 ? 1 
ATOM   1583 C CB   . SER A 1 106 ? -13.137 23.069 5.260   1.000 28.630  0 106 SER AAA CB   1 ? 1 
ATOM   1584 O OG   . SER A 1 106 ? -14.123 22.285 4.720   1.000 30.446  0 106 SER AAA OG   1 ? 1 
ATOM   1585 H H    . SER A 1 106 ? -11.187 24.299 5.651   1.000 23.988  0 106 SER AAA H    1 c 1 
ATOM   1586 H HA   . SER A 1 106 ? -11.778 22.394 3.875   1.000 25.837  0 106 SER AAA HA   1 c 1 
ATOM   1587 H HB2  . SER A 1 106 ? -12.735 22.618 6.037   1.000 28.420  0 106 SER AAA HB2  1 c 1 
ATOM   1588 H HB3  . SER A 1 106 ? -13.509 23.933 5.550   1.000 28.643  0 106 SER AAA HB3  1 c 1 
ATOM   1589 H HG   . SER A 1 106 ? -14.783 22.181 5.271   0.000 29.980  0 106 SER AAA HG   1 c 1 
ATOM   1590 N N    . VAL A 1 107 ? -12.780 23.367 1.872   1.000 25.853  0 107 VAL AAA N    1 ? 1 
ATOM   1591 C CA   . VAL A 1 107 ? -13.497 23.850 0.666   1.000 30.474  0 107 VAL AAA CA   1 ? 1 
ATOM   1592 C C    . VAL A 1 107 ? -14.981 24.074 1.012   1.000 34.828  0 107 VAL AAA C    1 ? 1 
ATOM   1593 O O    . VAL A 1 107 ? -15.515 23.311 1.851   1.000 33.169  0 107 VAL AAA O    1 ? 1 
ATOM   1594 C CB   . VAL A 1 107 ? -13.382 22.820 -0.468  1.000 31.130  0 107 VAL AAA CB   1 ? 1 
ATOM   1595 C CG1  . VAL A 1 107 ? -14.271 21.583 -0.267  1.000 30.983  0 107 VAL AAA CG1  1 ? 1 
ATOM   1596 C CG2  . VAL A 1 107 ? -13.673 23.485 -1.812  1.000 34.011  0 107 VAL AAA CG2  1 ? 1 
ATOM   1597 H H    . VAL A 1 107 ? -12.484 22.510 1.786   1.000 26.836  0 107 VAL AAA H    1 c 1 
ATOM   1598 H HA   . VAL A 1 107 ? -13.103 24.693 0.379   1.000 30.434  0 107 VAL AAA HA   1 c 1 
ATOM   1599 H HB   . VAL A 1 107 ? -12.444 22.513 -0.488  1.000 31.130  0 107 VAL AAA HB   1 c 1 
ATOM   1600 H HG11 . VAL A 1 107 ? -14.216 21.289 0.660   1.000 30.962  0 107 VAL AAA HG11 1 c 1 
ATOM   1601 H HG12 . VAL A 1 107 ? -13.966 20.866 -0.851  1.000 30.960  0 107 VAL AAA HG12 1 c 1 
ATOM   1602 H HG13 . VAL A 1 107 ? -15.194 21.804 -0.482  1.000 31.379  0 107 VAL AAA HG13 1 c 1 
ATOM   1603 H HG21 . VAL A 1 107 ? -14.605 23.762 -1.844  1.000 33.504  0 107 VAL AAA HG21 1 c 1 
ATOM   1604 H HG22 . VAL A 1 107 ? -13.500 22.853 -2.531  1.000 33.173  0 107 VAL AAA HG22 1 c 1 
ATOM   1605 H HG23 . VAL A 1 107 ? -13.100 24.264 -1.921  1.000 33.143  0 107 VAL AAA HG23 1 c 1 
ATOM   1606 N N    . ARG A 1 108 ? -15.661 24.977 0.293   1.000 42.366  0 108 ARG AAA N    1 ? 1 
ATOM   1607 C CA   . ARG A 1 108 ? -17.162 25.025 0.211   1.000 49.168  0 108 ARG AAA CA   1 ? 1 
ATOM   1608 C C    . ARG A 1 108 ? -17.588 24.549 -1.190  1.000 45.869  0 108 ARG AAA C    1 ? 1 
ATOM   1609 O O    . ARG A 1 108 ? -17.354 25.280 -2.123  1.000 43.779  0 108 ARG AAA O    1 ? 1 
ATOM   1610 C CB   . ARG A 1 108 ? -17.591 26.446 0.590   1.000 60.960  0 108 ARG AAA CB   1 ? 1 
ATOM   1611 C CG   . ARG A 1 108 ? -19.077 26.748 0.441   1.000 75.985  0 108 ARG AAA CG   1 ? 1 
ATOM   1612 C CD   . ARG A 1 108 ? -19.920 25.852 1.334   1.000 92.374  0 108 ARG AAA CD   1 ? 1 
ATOM   1613 N NE   . ARG A 1 108 ? -21.353 26.157 1.309   1.000 104.299 0 108 ARG AAA NE   1 ? 1 
ATOM   1614 C CZ   . ARG A 1 108 ? -22.295 25.427 1.914   1.000 106.838 0 108 ARG AAA CZ   1 ? 1 
ATOM   1615 N NH1  . ARG A 1 108 ? -21.966 24.346 2.604   1.000 108.087 0 108 ARG AAA NH1  1 ? 1 
ATOM   1616 N NH2  . ARG A 1 108 ? -23.565 25.781 1.830   1.000 109.204 0 108 ARG AAA NH2  1 ? 1 
ATOM   1617 H H    . ARG A 1 108 ? -15.247 25.624 -0.197  1.000 41.877  0 108 ARG AAA H    1 c 1 
ATOM   1618 H HA   . ARG A 1 108 ? -17.528 24.400 0.877   1.000 49.202  0 108 ARG AAA HA   1 c 1 
ATOM   1619 H HB2  . ARG A 1 108 ? -17.334 26.606 1.522   1.000 60.807  0 108 ARG AAA HB2  1 c 1 
ATOM   1620 H HB3  . ARG A 1 108 ? -17.089 27.077 0.033   1.000 60.818  0 108 ARG AAA HB3  1 c 1 
ATOM   1621 H HG2  . ARG A 1 108 ? -19.244 27.685 0.678   1.000 75.813  0 108 ARG AAA HG2  1 c 1 
ATOM   1622 H HG3  . ARG A 1 108 ? -19.347 26.617 -0.493  1.000 75.752  0 108 ARG AAA HG3  1 c 1 
ATOM   1623 H HD2  . ARG A 1 108 ? -19.792 24.921 1.055   1.000 90.293  0 108 ARG AAA HD2  1 c 1 
ATOM   1624 H HD3  . ARG A 1 108 ? -19.596 25.931 2.257   1.000 90.430  0 108 ARG AAA HD3  1 c 1 
ATOM   1625 H HE   . ARG A 1 108 ? -21.611 26.862 0.864   1.000 102.561 0 108 ARG AAA HE   1 c 1 
ATOM   1626 H HH11 . ARG A 1 108 ? -21.127 24.099 2.667   1.000 106.755 0 108 ARG AAA HH11 1 c 1 
ATOM   1627 H HH12 . ARG A 1 108 ? -22.593 23.873 2.999   1.000 107.569 0 108 ARG AAA HH12 1 c 1 
ATOM   1628 H HH21 . ARG A 1 108 ? -23.791 26.499 1.377   1.000 108.669 0 108 ARG AAA HH21 1 c 1 
ATOM   1629 H HH22 . ARG A 1 108 ? -24.184 25.300 2.233   1.000 108.713 0 108 ARG AAA HH22 1 c 1 
ATOM   1630 N N    . SER A 1 109 ? -18.071 23.307 -1.354  1.000 48.378  0 109 SER AAA N    1 ? 1 
ATOM   1631 C CA   . SER A 1 109 ? -18.414 22.660 -2.665  1.000 49.308  0 109 SER AAA CA   1 ? 1 
ATOM   1632 C C    . SER A 1 109 ? -19.608 21.697 -2.565  1.000 55.182  0 109 SER AAA C    1 ? 1 
ATOM   1633 O O    . SER A 1 109 ? -19.799 21.044 -1.509  1.000 52.881  0 109 SER AAA O    1 ? 1 
ATOM   1634 C CB   . SER A 1 109 ? -17.305 21.860 -3.275  1.000 49.925  0 109 SER AAA CB   1 ? 1 
ATOM   1635 O OG   . SER A 1 109 ? -17.840 20.922 -4.213  1.000 48.251  0 109 SER AAA OG   1 ? 1 
ATOM   1636 H H    . SER A 1 109 ? -18.228 22.749 -0.651  1.000 47.890  0 109 SER AAA H    1 c 1 
ATOM   1637 H HA   . SER A 1 109 ? -18.659 23.383 -3.302  1.000 50.688  0 109 SER AAA HA   1 c 1 
ATOM   1638 H HB2  . SER A 1 109 ? -16.676 22.463 -3.732  1.000 49.101  0 109 SER AAA HB2  1 c 1 
ATOM   1639 H HB3  . SER A 1 109 ? -16.817 21.380 -2.568  1.000 48.840  0 109 SER AAA HB3  1 c 1 
ATOM   1640 H HG   . SER A 1 109 ? -17.100 20.553 -4.506  0.000 47.830  0 109 SER AAA HG   1 c 1 
ATOM   1641 N N    . GLY A 1 110 ? -20.343 21.594 -3.676  1.000 59.481  0 110 GLY AAA N    1 ? 1 
ATOM   1642 C CA   . GLY A 1 110 ? -21.444 20.639 -3.885  1.000 60.971  0 110 GLY AAA CA   1 ? 1 
ATOM   1643 C C    . GLY A 1 110 ? -21.000 19.471 -4.749  1.000 60.843  0 110 GLY AAA C    1 ? 1 
ATOM   1644 O O    . GLY A 1 110 ? -21.924 18.611 -5.029  1.000 62.338  0 110 GLY AAA O    1 ? 1 
ATOM   1645 H H    . GLY A 1 110 ? -20.199 22.135 -4.395  1.000 58.877  0 110 GLY AAA H    1 c 1 
ATOM   1646 H HA2  . GLY A 1 110 ? -21.755 20.301 -3.008  1.000 60.701  0 110 GLY AAA HA2  1 c 1 
ATOM   1647 H HA3  . GLY A 1 110 ? -22.197 21.105 -4.323  1.000 61.330  0 110 GLY AAA HA3  1 c 1 
ATOM   1648 N N    . SER A 1 111 ? -19.676 19.449 -5.109  1.000 53.280  0 111 SER AAA N    1 ? 1 
ATOM   1649 C CA   . SER A 1 111 ? -18.961 18.441 -5.951  1.000 44.773  0 111 SER AAA CA   1 ? 1 
ATOM   1650 C C    . SER A 1 111 ? -18.051 17.556 -5.083  1.000 39.260  0 111 SER AAA C    1 ? 1 
ATOM   1651 O O    . SER A 1 111 ? -16.947 17.956 -4.791  1.000 36.427  0 111 SER AAA O    1 ? 1 
ATOM   1652 C CB   . SER A 1 111 ? -18.175 19.043 -7.057  1.000 44.458  0 111 SER AAA CB   1 ? 1 
ATOM   1653 O OG   . SER A 1 111 ? -18.918 20.081 -7.659  1.000 54.724  0 111 SER AAA OG   1 ? 1 
ATOM   1654 H H    . SER A 1 111 ? -19.102 20.100 -4.838  1.000 52.419  0 111 SER AAA H    1 c 1 
ATOM   1655 H HA   . SER A 1 111 ? -19.653 17.854 -6.359  1.000 45.557  0 111 SER AAA HA   1 c 1 
ATOM   1656 H HB2  . SER A 1 111 ? -17.328 19.402 -6.708  1.000 46.144  0 111 SER AAA HB2  1 c 1 
ATOM   1657 H HB3  . SER A 1 111 ? -17.966 18.353 -7.727  1.000 46.693  0 111 SER AAA HB3  1 c 1 
ATOM   1658 H HG   . SER A 1 111 ? -17.944 20.493 -8.096  0.000 64.920  0 111 SER AAA HG   1 c 1 
ATOM   1659 N N    . TRP A 1 112 ? -18.542 16.362 -4.781  1.000 34.227  0 112 TRP AAA N    1 ? 1 
ATOM   1660 C CA   . TRP A 1 112 ? -17.920 15.309 -3.937  1.000 31.844  0 112 TRP AAA CA   1 ? 1 
ATOM   1661 C C    . TRP A 1 112 ? -17.934 14.004 -4.715  1.000 32.020  0 112 TRP AAA C    1 ? 1 
ATOM   1662 O O    . TRP A 1 112 ? -18.952 13.746 -5.400  1.000 33.608  0 112 TRP AAA O    1 ? 1 
ATOM   1663 C CB   . TRP A 1 112 ? -18.698 15.215 -2.630  1.000 29.605  0 112 TRP AAA CB   1 ? 1 
ATOM   1664 C CG   . TRP A 1 112 ? -18.431 16.417 -1.789  1.000 28.712  0 112 TRP AAA CG   1 ? 1 
ATOM   1665 C CD1  . TRP A 1 112 ? -19.134 17.586 -1.789  1.000 30.486  0 112 TRP AAA CD1  1 ? 1 
ATOM   1666 C CD2  . TRP A 1 112 ? -17.310 16.620 -0.906  1.000 27.277  0 112 TRP AAA CD2  1 ? 1 
ATOM   1667 N NE1  . TRP A 1 112 ? -18.551 18.483 -0.941  1.000 28.586  0 112 TRP AAA NE1  1 ? 1 
ATOM   1668 C CE2  . TRP A 1 112 ? -17.418 17.935 -0.410  1.000 27.724  0 112 TRP AAA CE2  1 ? 1 
ATOM   1669 C CE3  . TRP A 1 112 ? -16.196 15.849 -0.549  1.000 25.289  0 112 TRP AAA CE3  1 ? 1 
ATOM   1670 C CZ2  . TRP A 1 112 ? -16.494 18.472 0.486   1.000 27.699  0 112 TRP AAA CZ2  1 ? 1 
ATOM   1671 C CZ3  . TRP A 1 112 ? -15.282 16.380 0.322   1.000 24.781  0 112 TRP AAA CZ3  1 ? 1 
ATOM   1672 C CH2  . TRP A 1 112 ? -15.427 17.661 0.844   1.000 27.479  0 112 TRP AAA CH2  1 ? 1 
ATOM   1673 H H    . TRP A 1 112 ? -19.355 16.095 -5.093  1.000 35.374  0 112 TRP AAA H    1 c 1 
ATOM   1674 H HA   . TRP A 1 112 ? -16.989 15.567 -3.737  1.000 31.331  0 112 TRP AAA HA   1 c 1 
ATOM   1675 H HB2  . TRP A 1 112 ? -19.655 15.153 -2.830  1.000 30.447  0 112 TRP AAA HB2  1 c 1 
ATOM   1676 H HB3  . TRP A 1 112 ? -18.426 14.406 -2.151  1.000 29.745  0 112 TRP AAA HB3  1 c 1 
ATOM   1677 H HD1  . TRP A 1 112 ? -19.941 17.737 -2.257  1.000 30.060  0 112 TRP AAA HD1  1 c 1 
ATOM   1678 H HE1  . TRP A 1 112 ? -18.856 19.280 -0.764  1.000 29.002  0 112 TRP AAA HE1  1 c 1 
ATOM   1679 H HE3  . TRP A 1 112 ? -16.088 14.975 -0.890  1.000 25.772  0 112 TRP AAA HE3  1 c 1 
ATOM   1680 H HZ2  . TRP A 1 112 ? -16.596 19.341 0.835   1.000 27.687  0 112 TRP AAA HZ2  1 c 1 
ATOM   1681 H HZ3  . TRP A 1 112 ? -14.550 15.853 0.599   1.000 25.345  0 112 TRP AAA HZ3  1 c 1 
ATOM   1682 H HH2  . TRP A 1 112 ? -14.786 17.987 1.449   1.000 26.590  0 112 TRP AAA HH2  1 c 1 
ATOM   1683 N N    . GLY A 1 113 ? -16.880 13.199 -4.637  1.000 29.138  0 113 GLY AAA N    1 ? 1 
ATOM   1684 C CA   . GLY A 1 113 ? -16.970 11.829 -5.154  1.000 29.598  0 113 GLY AAA CA   1 ? 1 
ATOM   1685 C C    . GLY A 1 113 ? -17.756 10.972 -4.188  1.000 29.840  0 113 GLY AAA C    1 ? 1 
ATOM   1686 O O    . GLY A 1 113 ? -18.245 11.479 -3.147  1.000 28.774  0 113 GLY AAA O    1 ? 1 
ATOM   1687 H H    . GLY A 1 113 ? -16.080 13.444 -4.275  1.000 29.393  0 113 GLY AAA H    1 c 1 
ATOM   1688 H HA2  . GLY A 1 113 ? -17.417 11.836 -6.037  1.000 29.974  0 113 GLY AAA HA2  1 c 1 
ATOM   1689 H HA3  . GLY A 1 113 ? -16.058 11.459 -5.263  1.000 29.234  0 113 GLY AAA HA3  1 c 1 
ATOM   1690 N N    . GLN A 1 114 ? -17.776 9.679  -4.459  1.000 31.510  0 114 GLN AAA N    1 ? 1 
ATOM   1691 C CA   . GLN A 1 114 ? -18.447 8.641  -3.641  1.000 34.786  0 114 GLN AAA CA   1 ? 1 
ATOM   1692 C C    . GLN A 1 114 ? -17.727 8.384  -2.294  1.000 30.499  0 114 GLN AAA C    1 ? 1 
ATOM   1693 O O    . GLN A 1 114 ? -18.331 7.805  -1.335  1.000 29.038  0 114 GLN AAA O    1 ? 1 
ATOM   1694 C CB   . GLN A 1 114 ? -18.455 7.407  -4.527  1.000 41.982  0 114 GLN AAA CB   1 ? 1 
ATOM   1695 C CG   . GLN A 1 114 ? -19.418 6.342  -4.071  1.000 53.728  0 114 GLN AAA CG   1 ? 1 
ATOM   1696 C CD   . GLN A 1 114 ? -20.164 5.844  -5.286  1.000 66.386  0 114 GLN AAA CD   1 ? 1 
ATOM   1697 O OE1  . GLN A 1 114 ? -19.577 5.202  -6.165  1.000 74.866  0 114 GLN AAA OE1  1 ? 1 
ATOM   1698 N NE2  . GLN A 1 114 ? -21.448 6.186  -5.363  1.000 71.714  0 114 GLN AAA NE2  1 ? 1 
ATOM   1699 H H    . GLN A 1 114 ? -17.346 9.340  -5.187  1.000 31.866  0 114 GLN AAA H    1 c 1 
ATOM   1700 H HA   . GLN A 1 114 ? -19.374 8.925  -3.466  1.000 35.009  0 114 GLN AAA HA   1 c 1 
ATOM   1701 H HB2  . GLN A 1 114 ? -18.688 7.679  -5.440  1.000 42.795  0 114 GLN AAA HB2  1 c 1 
ATOM   1702 H HB3  . GLN A 1 114 ? -17.550 7.032  -4.547  1.000 42.096  0 114 GLN AAA HB3  1 c 1 
ATOM   1703 H HG2  . GLN A 1 114 ? -18.928 5.603  -3.653  1.000 52.896  0 114 GLN AAA HG2  1 c 1 
ATOM   1704 H HG3  . GLN A 1 114 ? -20.048 6.713  -3.417  1.000 53.311  0 114 GLN AAA HG3  1 c 1 
ATOM   1705 H HE21 . GLN A 1 114 ? -21.886 6.093  -6.126  1.000 70.703  0 114 GLN AAA HE21 1 c 1 
ATOM   1706 H HE22 . GLN A 1 114 ? -21.867 6.503  -4.652  1.000 70.200  0 114 GLN AAA HE22 1 c 1 
ATOM   1707 N N    . GLY A 1 115 ? -16.452 8.715  -2.166  1.000 26.341  0 115 GLY AAA N    1 ? 1 
ATOM   1708 C CA   . GLY A 1 115 ? -15.798 8.432  -0.889  1.000 24.868  0 115 GLY AAA CA   1 ? 1 
ATOM   1709 C C    . GLY A 1 115 ? -15.450 6.946  -0.765  1.000 25.140  0 115 GLY AAA C    1 ? 1 
ATOM   1710 O O    . GLY A 1 115 ? -15.784 6.154  -1.632  1.000 24.722  0 115 GLY AAA O    1 ? 1 
ATOM   1711 H H    . GLY A 1 115 ? -15.949 9.103  -2.818  1.000 26.793  0 115 GLY AAA H    1 c 1 
ATOM   1712 H HA2  . GLY A 1 115 ? -14.970 8.969  -0.828  1.000 24.917  0 115 GLY AAA HA2  1 c 1 
ATOM   1713 H HA3  . GLY A 1 115 ? -16.396 8.697  -0.146  1.000 25.355  0 115 GLY AAA HA3  1 c 1 
ATOM   1714 N N    . THR A 1 116 ? -14.733 6.608  0.309   1.000 25.130  0 116 THR AAA N    1 ? 1 
ATOM   1715 C CA   . THR A 1 116 ? -14.280 5.249  0.689   1.000 24.390  0 116 THR AAA CA   1 ? 1 
ATOM   1716 C C    . THR A 1 116 ? -14.620 5.072  2.187   1.000 25.578  0 116 THR AAA C    1 ? 1 
ATOM   1717 O O    . THR A 1 116 ? -14.151 5.821  3.038   1.000 23.439  0 116 THR AAA O    1 ? 1 
ATOM   1718 C CB   . THR A 1 116 ? -12.848 4.997  0.200   1.000 24.044  0 116 THR AAA CB   1 ? 1 
ATOM   1719 O OG1  . THR A 1 116 ? -12.613 3.601  0.408   1.000 25.426  0 116 THR AAA OG1  1 ? 1 
ATOM   1720 C CG2  . THR A 1 116 ? -11.794 5.881  0.812   1.000 22.924  0 116 THR AAA CG2  1 ? 1 
ATOM   1721 H H    . THR A 1 116 ? -14.456 7.233  0.912   1.000 24.781  0 116 THR AAA H    1 c 1 
ATOM   1722 H HA   . THR A 1 116 ? -14.855 4.621  0.195   1.000 24.945  0 116 THR AAA HA   1 c 1 
ATOM   1723 H HB   . THR A 1 116 ? -12.842 5.160  -0.774  1.000 24.188  0 116 THR AAA HB   1 c 1 
ATOM   1724 H HG1  . THR A 1 116 ? -11.814 3.413  0.155   0.000 26.260  0 116 THR AAA HG1  1 c 1 
ATOM   1725 H HG21 . THR A 1 116 ? -12.009 6.815  0.637   1.000 23.182  0 116 THR AAA HG21 1 c 1 
ATOM   1726 H HG22 . THR A 1 116 ? -10.926 5.671  0.423   1.000 23.054  0 116 THR AAA HG22 1 c 1 
ATOM   1727 H HG23 . THR A 1 116 ? -11.761 5.731  1.774   1.000 23.172  0 116 THR AAA HG23 1 c 1 
ATOM   1728 N N    . GLN A 1 117 ? -15.446 4.069  2.461   1.000 26.107  0 117 GLN AAA N    1 ? 1 
ATOM   1729 C CA   . GLN A 1 117 ? -15.876 3.665  3.811   1.000 27.234  0 117 GLN AAA CA   1 ? 1 
ATOM   1730 C C    . GLN A 1 117 ? -14.680 3.014  4.496   1.000 25.377  0 117 GLN AAA C    1 ? 1 
ATOM   1731 O O    . GLN A 1 117 ? -14.077 2.096  3.921   1.000 25.017  0 117 GLN AAA O    1 ? 1 
ATOM   1732 C CB   . GLN A 1 117 ? -17.032 2.655  3.763   1.000 29.598  0 117 GLN AAA CB   1 ? 1 
ATOM   1733 C CG   . GLN A 1 117 ? -17.445 2.152  5.131   1.000 29.146  0 117 GLN AAA CG   1 ? 1 
ATOM   1734 C CD   . GLN A 1 117 ? -18.177 3.256  5.832   1.000 31.239  0 117 GLN AAA CD   1 ? 1 
ATOM   1735 O OE1  . GLN A 1 117 ? -19.094 3.786  5.243   1.000 34.094  0 117 GLN AAA OE1  1 ? 1 
ATOM   1736 N NE2  . GLN A 1 117 ? -17.820 3.592  7.073   1.000 31.387  0 117 GLN AAA NE2  1 ? 1 
ATOM   1737 H H    . GLN A 1 117 ? -15.809 3.551  1.805   1.000 26.419  0 117 GLN AAA H    1 c 1 
ATOM   1738 H HA   . GLN A 1 117 ? -16.153 4.466  4.313   1.000 27.161  0 117 GLN AAA HA   1 c 1 
ATOM   1739 H HB2  . GLN A 1 117 ? -17.799 3.078  3.324   1.000 29.214  0 117 GLN AAA HB2  1 c 1 
ATOM   1740 H HB3  . GLN A 1 117 ? -16.755 1.893  3.213   1.000 28.903  0 117 GLN AAA HB3  1 c 1 
ATOM   1741 H HG2  . GLN A 1 117 ? -18.032 1.372  5.037   1.000 30.024  0 117 GLN AAA HG2  1 c 1 
ATOM   1742 H HG3  . GLN A 1 117 ? -16.656 1.890  5.650   1.000 29.535  0 117 GLN AAA HG3  1 c 1 
ATOM   1743 H HE21 . GLN A 1 117 ? -18.229 4.259  7.485   1.000 31.529  0 117 GLN AAA HE21 1 c 1 
ATOM   1744 H HE22 . GLN A 1 117 ? -17.174 3.150  7.484   1.000 31.203  0 117 GLN AAA HE22 1 c 1 
ATOM   1745 N N    . VAL A 1 118 ? -14.392 3.519  5.689   1.000 26.662  0 118 VAL AAA N    1 ? 1 
ATOM   1746 C CA   . VAL A 1 118 ? -13.435 2.979  6.691   1.000 25.446  0 118 VAL AAA CA   1 ? 1 
ATOM   1747 C C    . VAL A 1 118 ? -14.249 2.593  7.942   1.000 25.131  0 118 VAL AAA C    1 ? 1 
ATOM   1748 O O    . VAL A 1 118 ? -14.887 3.454  8.524   1.000 25.587  0 118 VAL AAA O    1 ? 1 
ATOM   1749 C CB   . VAL A 1 118 ? -12.329 4.006  7.003   1.000 24.844  0 118 VAL AAA CB   1 ? 1 
ATOM   1750 C CG1  . VAL A 1 118 ? -11.430 3.496  8.121   1.000 25.003  0 118 VAL AAA CG1  1 ? 1 
ATOM   1751 C CG2  . VAL A 1 118 ? -11.533 4.345  5.750   1.000 23.250  0 118 VAL AAA CG2  1 ? 1 
ATOM   1752 H H    . VAL A 1 118 ? -14.790 4.284  5.984   1.000 26.172  0 118 VAL AAA H    1 c 1 
ATOM   1753 H HA   . VAL A 1 118 ? -13.022 2.176  6.325   1.000 25.367  0 118 VAL AAA HA   1 c 1 
ATOM   1754 H HB   . VAL A 1 118 ? -12.770 4.831  7.318   1.000 24.765  0 118 VAL AAA HB   1 c 1 
ATOM   1755 H HG11 . VAL A 1 118 ? -11.873 3.622  8.979   1.000 25.241  0 118 VAL AAA HG11 1 c 1 
ATOM   1756 H HG12 . VAL A 1 118 ? -10.592 3.989  8.115   1.000 24.844  0 118 VAL AAA HG12 1 c 1 
ATOM   1757 H HG13 . VAL A 1 118 ? -11.250 2.549  7.987   1.000 25.010  0 118 VAL AAA HG13 1 c 1 
ATOM   1758 H HG21 . VAL A 1 118 ? -11.170 3.529  5.365   1.000 23.578  0 118 VAL AAA HG21 1 c 1 
ATOM   1759 H HG22 . VAL A 1 118 ? -10.804 4.947  5.981   1.000 23.522  0 118 VAL AAA HG22 1 c 1 
ATOM   1760 H HG23 . VAL A 1 118 ? -12.116 4.778  5.102   1.000 23.616  0 118 VAL AAA HG23 1 c 1 
ATOM   1761 N N    . THR A 1 119 ? -14.242 1.313  8.285   1.000 25.981  0 119 THR AAA N    1 ? 1 
ATOM   1762 C CA   . THR A 1 119 ? -14.904 0.715  9.475   1.000 27.470  0 119 THR AAA CA   1 ? 1 
ATOM   1763 C C    . THR A 1 119 ? -13.801 0.089  10.335  1.000 28.069  0 119 THR AAA C    1 ? 1 
ATOM   1764 O O    . THR A 1 119 ? -13.093 -0.792 9.792   1.000 26.677  0 119 THR AAA O    1 ? 1 
ATOM   1765 C CB   . THR A 1 119 ? -15.992 -0.275 9.041   1.000 29.209  0 119 THR AAA CB   1 ? 1 
ATOM   1766 O OG1  . THR A 1 119 ? -16.926 0.385  8.178   1.000 29.837  0 119 THR AAA OG1  1 ? 1 
ATOM   1767 C CG2  . THR A 1 119 ? -16.760 -0.851 10.212  1.000 30.050  0 119 THR AAA CG2  1 ? 1 
ATOM   1768 H H    . THR A 1 119 ? -13.811 0.682  7.788   1.000 25.912  0 119 THR AAA H    1 c 1 
ATOM   1769 H HA   . THR A 1 119 ? -15.328 1.441  9.987   1.000 27.813  0 119 THR AAA HA   1 c 1 
ATOM   1770 H HB   . THR A 1 119 ? -15.563 -1.013 8.546   1.000 28.931  0 119 THR AAA HB   1 c 1 
ATOM   1771 H HG1  . THR A 1 119 ? -17.535 -0.155 7.912   0.000 30.240  0 119 THR AAA HG1  1 c 1 
ATOM   1772 H HG21 . THR A 1 119 ? -16.162 -1.385 10.765  1.000 29.998  0 119 THR AAA HG21 1 c 1 
ATOM   1773 H HG22 . THR A 1 119 ? -17.483 -1.415 9.881   1.000 30.199  0 119 THR AAA HG22 1 c 1 
ATOM   1774 H HG23 . THR A 1 119 ? -17.134 -0.127 10.745  1.000 30.165  0 119 THR AAA HG23 1 c 1 
ATOM   1775 N N    . VAL A 1 120 ? -13.639 0.561  11.580  1.000 27.938  0 120 VAL AAA N    1 ? 1 
ATOM   1776 C CA   . VAL A 1 120 ? -12.652 0.038  12.565  1.000 30.211  0 120 VAL AAA CA   1 ? 1 
ATOM   1777 C C    . VAL A 1 120 ? -13.461 -0.661 13.694  1.000 33.742  0 120 VAL AAA C    1 ? 1 
ATOM   1778 O O    . VAL A 1 120 ? -14.113 0.050  14.502  1.000 31.322  0 120 VAL AAA O    1 ? 1 
ATOM   1779 C CB   . VAL A 1 120 ? -11.755 1.175  13.116  1.000 29.909  0 120 VAL AAA CB   1 ? 1 
ATOM   1780 C CG1  . VAL A 1 120 ? -10.637 0.634  14.011  1.000 28.987  0 120 VAL AAA CG1  1 ? 1 
ATOM   1781 C CG2  . VAL A 1 120 ? -11.207 2.075  11.986  1.000 29.519  0 120 VAL AAA CG2  1 ? 1 
ATOM   1782 H H    . VAL A 1 120 ? -14.137 1.250  11.906  1.000 28.654  0 120 VAL AAA H    1 c 1 
ATOM   1783 H HA   . VAL A 1 120 ? -12.089 -0.622 12.126  1.000 30.106  0 120 VAL AAA HA   1 c 1 
ATOM   1784 H HB   . VAL A 1 120 ? -12.330 1.743  13.681  1.000 30.026  0 120 VAL AAA HB   1 c 1 
ATOM   1785 H HG11 . VAL A 1 120 ? -11.017 0.300  14.842  1.000 29.786  0 120 VAL AAA HG11 1 c 1 
ATOM   1786 H HG12 . VAL A 1 120 ? -10.004 1.346  14.208  1.000 29.334  0 120 VAL AAA HG12 1 c 1 
ATOM   1787 H HG13 . VAL A 1 120 ? -10.175 -0.090 13.553  1.000 29.212  0 120 VAL AAA HG13 1 c 1 
ATOM   1788 H HG21 . VAL A 1 120 ? -10.746 1.526  11.328  1.000 29.245  0 120 VAL AAA HG21 1 c 1 
ATOM   1789 H HG22 . VAL A 1 120 ? -10.585 2.723  12.359  1.000 29.475  0 120 VAL AAA HG22 1 c 1 
ATOM   1790 H HG23 . VAL A 1 120 ? -11.943 2.545  11.556  1.000 29.374  0 120 VAL AAA HG23 1 c 1 
ATOM   1791 N N    . SER A 1 121 ? -13.399 -1.980 13.810  1.000 36.874  0 121 SER AAA N    1 ? 1 
ATOM   1792 C CA   . SER A 1 121 ? -14.060 -2.669 14.959  1.000 44.471  0 121 SER AAA CA   1 ? 1 
ATOM   1793 C C    . SER A 1 121 ? -13.097 -2.830 16.146  1.000 48.373  0 121 SER AAA C    1 ? 1 
ATOM   1794 O O    . SER A 1 121 ? -11.903 -3.075 15.917  1.000 47.261  0 121 SER AAA O    1 ? 1 
ATOM   1795 C CB   . SER A 1 121 ? -14.695 -3.971 14.556  1.000 43.302  0 121 SER AAA CB   1 ? 1 
ATOM   1796 O OG   . SER A 1 121 ? -13.817 -4.704 13.741  1.000 51.161  0 121 SER AAA OG   1 ? 1 
ATOM   1797 H H    . SER A 1 121 ? -12.974 -2.545 13.235  1.000 37.387  0 121 SER AAA H    1 c 1 
ATOM   1798 H HA   . SER A 1 121 ? -14.795 -2.075 15.266  1.000 43.606  0 121 SER AAA HA   1 c 1 
ATOM   1799 H HB2  . SER A 1 121 ? -14.916 -4.494 15.360  1.000 45.901  0 121 SER AAA HB2  1 c 1 
ATOM   1800 H HB3  . SER A 1 121 ? -15.530 -3.791 14.066  1.000 45.407  0 121 SER AAA HB3  1 c 1 
ATOM   1801 H HG   . SER A 1 121 ? -14.150 -5.408 13.479  0.000 54.400  0 121 SER AAA HG   1 c 1 
ATOM   1802 N N    . SER A 1 122 ? -13.636 -2.800 17.376  1.000 58.771  0 122 SER AAA N    1 ? 1 
ATOM   1803 C CA   . SER A 1 122 ? -12.921 -3.069 18.668  1.000 63.927  0 122 SER AAA CA   1 ? 1 
ATOM   1804 C C    . SER A 1 122 ? -12.449 -4.524 18.790  1.000 63.331  0 122 SER AAA C    1 ? 1 
ATOM   1805 O O    . SER A 1 122 ? -13.128 -5.446 18.356  1.000 71.175  0 122 SER AAA O    1 ? 1 
ATOM   1806 C CB   . SER A 1 122 ? -13.774 -2.694 19.847  1.000 70.869  0 122 SER AAA CB   1 ? 1 
ATOM   1807 O OG   . SER A 1 122 ? -13.575 -1.326 20.200  1.000 72.408  0 122 SER AAA OG   1 ? 1 
ATOM   1808 H H    . SER A 1 122 ? -14.515 -2.606 17.512  1.000 57.483  0 122 SER AAA H    1 c 1 
ATOM   1809 H HA   . SER A 1 122 ? -12.111 -2.491 18.682  1.000 63.828  0 122 SER AAA HA   1 c 1 
ATOM   1810 H HB2  . SER A 1 122 ? -14.722 -2.844 19.630  1.000 69.756  0 122 SER AAA HB2  1 c 1 
ATOM   1811 H HB3  . SER A 1 122 ? -13.541 -3.266 20.614  1.000 70.199  0 122 SER AAA HB3  1 c 1 
ATOM   1812 H HG   . SER A 1 122 ? -14.512 -1.329 20.793  0.000 83.090  0 122 SER AAA HG   1 c 1 
ATOM   1813 N N    . GLU B 2 29  ? 27.577  27.819 -6.632  1.000 64.045  0 10  GLU BBB N    1 ? 2 
ATOM   1814 C CA   . GLU B 2 29  ? 26.903  27.999 -7.983  1.000 65.437  0 10  GLU BBB CA   1 ? 2 
ATOM   1815 C C    . GLU B 2 29  ? 25.594  28.812 -7.833  1.000 62.725  0 10  GLU BBB C    1 ? 2 
ATOM   1816 O O    . GLU B 2 29  ? 24.798  28.591 -6.913  1.000 71.633  0 10  GLU BBB O    1 ? 2 
ATOM   1817 C CB   . GLU B 2 29  ? 26.764  26.611 -8.625  1.000 68.514  0 10  GLU BBB CB   1 ? 2 
ATOM   1818 C CG   . GLU B 2 29  ? 26.047  26.595 -9.969  1.000 69.543  0 10  GLU BBB CG   1 ? 2 
ATOM   1819 C CD   . GLU B 2 29  ? 24.521  26.769 -9.949  1.000 67.003  0 10  GLU BBB CD   1 ? 2 
ATOM   1820 O OE1  . GLU B 2 29  ? 23.874  26.529 -8.850  1.000 62.952  0 10  GLU BBB OE1  1 ? 2 
ATOM   1821 O OE2  . GLU B 2 29  ? 23.970  27.136 -11.043 1.000 53.711  0 10  GLU BBB OE2  1 ? 2 
ATOM   1822 H H    . GLU B 2 29  ? 27.766  26.939 -6.488  1.000 64.788  0 10  GLU BBB H    1 c 2 
ATOM   1823 H HA   . GLU B 2 29  ? 27.518  28.524 -8.541  1.000 65.386  0 10  GLU BBB HA   1 c 2 
ATOM   1824 H HB2  . GLU B 2 29  ? 27.662  26.236 -8.745  1.000 68.460  0 10  GLU BBB HB2  1 c 2 
ATOM   1825 H HB3  . GLU B 2 29  ? 26.280  26.029 -8.003  1.000 67.981  0 10  GLU BBB HB3  1 c 2 
ATOM   1826 H HG2  . GLU B 2 29  ? 26.426  27.302 -10.531 1.000 68.772  0 10  GLU BBB HG2  1 c 2 
ATOM   1827 H HG3  . GLU B 2 29  ? 26.245  25.743 -10.412 1.000 68.850  0 10  GLU BBB HG3  1 c 2 
ATOM   1828 N N    . PRO B 2 30  ? 25.314  29.792 -8.739  1.000 57.195  0 11  PRO BBB N    1 ? 2 
ATOM   1829 C CA   . PRO B 2 30  ? 24.356  30.871 -8.484  1.000 49.955  0 11  PRO BBB CA   1 ? 2 
ATOM   1830 C C    . PRO B 2 30  ? 22.975  30.778 -9.157  1.000 40.650  0 11  PRO BBB C    1 ? 2 
ATOM   1831 O O    . PRO B 2 30  ? 22.375  31.801 -9.323  1.000 36.253  0 11  PRO BBB O    1 ? 2 
ATOM   1832 C CB   . PRO B 2 30  ? 25.071  32.022 -9.208  1.000 52.558  0 11  PRO BBB CB   1 ? 2 
ATOM   1833 C CG   . PRO B 2 30  ? 25.466  31.345 -10.512 1.000 54.770  0 11  PRO BBB CG   1 ? 2 
ATOM   1834 C CD   . PRO B 2 30  ? 25.902  29.952 -10.089 1.000 57.020  0 11  PRO BBB CD   1 ? 2 
ATOM   1835 H HA   . PRO B 2 30  ? 24.281  31.060 -7.515  1.000 49.868  0 11  PRO BBB HA   1 c 2 
ATOM   1836 H HB2  . PRO B 2 30  ? 24.474  32.784 -9.364  1.000 52.208  0 11  PRO BBB HB2  1 c 2 
ATOM   1837 H HB3  . PRO B 2 30  ? 25.860  32.323 -8.710  1.000 52.825  0 11  PRO BBB HB3  1 c 2 
ATOM   1838 H HG2  . PRO B 2 30  ? 24.707  31.298 -11.126 1.000 54.308  0 11  PRO BBB HG2  1 c 2 
ATOM   1839 H HG3  . PRO B 2 30  ? 26.200  31.824 -10.948 1.000 54.993  0 11  PRO BBB HG3  1 c 2 
ATOM   1840 H HD2  . PRO B 2 30  ? 25.556  29.279 -10.704 1.000 56.518  0 11  PRO BBB HD2  1 c 2 
ATOM   1841 H HD3  . PRO B 2 30  ? 26.874  29.885 -10.060 1.000 57.032  0 11  PRO BBB HD3  1 c 2 
ATOM   1842 N N    . SER B 2 31  ? 22.524  29.593 -9.555  1.000 34.382  0 12  SER BBB N    1 ? 2 
ATOM   1843 C CA   . SER B 2 31  ? 21.187  29.473 -10.188 1.000 33.119  0 12  SER BBB CA   1 ? 2 
ATOM   1844 C C    . SER B 2 31  ? 20.118  29.856 -9.140  1.000 33.199  0 12  SER BBB C    1 ? 2 
ATOM   1845 O O    . SER B 2 31  ? 19.011  30.294 -9.568  1.000 29.444  0 12  SER BBB O    1 ? 2 
ATOM   1846 C CB   . SER B 2 31  ? 20.939  28.128 -10.799 1.000 32.524  0 12  SER BBB CB   1 ? 2 
ATOM   1847 O OG   . SER B 2 31  ? 20.768  27.163 -9.778  1.000 34.739  0 12  SER BBB OG   1 ? 2 
ATOM   1848 H H    . SER B 2 31  ? 22.960  28.802 -9.462  1.000 35.765  0 12  SER BBB H    1 c 2 
ATOM   1849 H HA   . SER B 2 31  ? 21.144  30.147 -10.919 1.000 33.216  0 12  SER BBB HA   1 c 2 
ATOM   1850 H HB2  . SER B 2 31  ? 20.130  28.165 -11.358 1.000 32.926  0 12  SER BBB HB2  1 c 2 
ATOM   1851 H HB3  . SER B 2 31  ? 21.698  27.879 -11.370 1.000 33.426  0 12  SER BBB HB3  1 c 2 
ATOM   1852 H HG   . SER B 2 31  ? 20.610  26.362 -10.012 0.000 34.780  0 12  SER BBB HG   1 c 2 
ATOM   1853 N N    . ALA B 2 32  ? 20.383  29.684 -7.829  1.000 32.025  0 13  ALA BBB N    1 ? 2 
ATOM   1854 C CA   . ALA B 2 32  ? 19.441  30.121 -6.753  1.000 32.012  0 13  ALA BBB CA   1 ? 2 
ATOM   1855 C C    . ALA B 2 32  ? 19.259  31.642 -6.792  1.000 32.804  0 13  ALA BBB C    1 ? 2 
ATOM   1856 O O    . ALA B 2 32  ? 18.045  32.102 -6.714  1.000 30.580  0 13  ALA BBB O    1 ? 2 
ATOM   1857 C CB   . ALA B 2 32  ? 19.870  29.680 -5.372  1.000 33.298  0 13  ALA BBB CB   1 ? 2 
ATOM   1858 H H    . ALA B 2 32  ? 21.134  29.284 -7.504  1.000 32.664  0 13  ALA BBB H    1 c 2 
ATOM   1859 H HA   . ALA B 2 32  ? 18.566  29.712 -6.942  1.000 32.069  0 13  ALA BBB HA   1 c 2 
ATOM   1860 H HB1  . ALA B 2 32  ? 19.227  29.997 -4.715  1.000 32.891  0 13  ALA BBB HB1  1 c 2 
ATOM   1861 H HB2  . ALA B 2 32  ? 19.914  28.710 -5.339  1.000 33.042  0 13  ALA BBB HB2  1 c 2 
ATOM   1862 H HB3  . ALA B 2 32  ? 20.746  30.050 -5.170  1.000 33.291  0 13  ALA BBB HB3  1 c 2 
ATOM   1863 N N    . ASP B 2 33  ? 20.357  32.406 -6.965  1.000 30.757  0 14  ASP BBB N    1 ? 2 
ATOM   1864 C CA   . ASP B 2 33  ? 20.223  33.872 -7.114  1.000 30.869  0 14  ASP BBB CA   1 ? 2 
ATOM   1865 C C    . ASP B 2 33  ? 19.597  34.211 -8.479  1.000 25.203  0 14  ASP BBB C    1 ? 2 
ATOM   1866 O O    . ASP B 2 33  ? 18.851  35.183 -8.555  1.000 23.242  0 14  ASP BBB O    1 ? 2 
ATOM   1867 C CB   . ASP B 2 33  ? 21.541  34.571 -6.800  1.000 37.762  0 14  ASP BBB CB   1 ? 2 
ATOM   1868 C CG   . ASP B 2 33  ? 21.879  34.599 -5.302  1.000 44.320  0 14  ASP BBB CG   1 ? 2 
ATOM   1869 O OD1  . ASP B 2 33  ? 21.097  35.175 -4.488  1.000 52.168  0 14  ASP BBB OD1  1 ? 2 
ATOM   1870 O OD2  . ASP B 2 33  ? 22.917  34.022 -4.943  1.000 53.843  0 14  ASP BBB OD2  1 ? 2 
ATOM   1871 H H    . ASP B 2 33  ? 21.207  32.081 -6.998  1.000 31.613  0 14  ASP BBB H    1 c 2 
ATOM   1872 H HA   . ASP B 2 33  ? 19.584  34.171 -6.425  1.000 30.735  0 14  ASP BBB HA   1 c 2 
ATOM   1873 H HB2  . ASP B 2 33  ? 22.267  34.117 -7.274  1.000 37.617  0 14  ASP BBB HB2  1 c 2 
ATOM   1874 H HB3  . ASP B 2 33  ? 21.496  35.494 -7.123  1.000 37.457  0 14  ASP BBB HB3  1 c 2 
ATOM   1875 N N    . TRP B 2 34  ? 19.900  33.498 -9.554  1.000 22.856  0 15  TRP BBB N    1 ? 2 
ATOM   1876 C CA   . TRP B 2 34  ? 19.312  33.830 -10.888 1.000 21.602  0 15  TRP BBB CA   1 ? 2 
ATOM   1877 C C    . TRP B 2 34  ? 17.775  33.620 -10.838 1.000 19.065  0 15  TRP BBB C    1 ? 2 
ATOM   1878 O O    . TRP B 2 34  ? 17.087  34.531 -11.311 1.000 18.195  0 15  TRP BBB O    1 ? 2 
ATOM   1879 C CB   . TRP B 2 34  ? 19.907  33.032 -12.063 1.000 24.825  0 15  TRP BBB CB   1 ? 2 
ATOM   1880 C CG   . TRP B 2 34  ? 21.387  33.155 -12.304 1.000 28.290  0 15  TRP BBB CG   1 ? 2 
ATOM   1881 C CD1  . TRP B 2 34  ? 22.250  34.131 -11.885 1.000 28.943  0 15  TRP BBB CD1  1 ? 2 
ATOM   1882 C CD2  . TRP B 2 34  ? 22.181  32.203 -13.040 1.000 29.902  0 15  TRP BBB CD2  1 ? 2 
ATOM   1883 N NE1  . TRP B 2 34  ? 23.517  33.843 -12.339 1.000 30.733  0 15  TRP BBB NE1  1 ? 2 
ATOM   1884 C CE2  . TRP B 2 34  ? 23.515  32.659 -13.010 1.000 32.250  0 15  TRP BBB CE2  1 ? 2 
ATOM   1885 C CE3  . TRP B 2 34  ? 21.896  31.002 -13.685 1.000 30.964  0 15  TRP BBB CE3  1 ? 2 
ATOM   1886 C CZ2  . TRP B 2 34  ? 24.546  31.960 -13.657 1.000 36.513  0 15  TRP BBB CZ2  1 ? 2 
ATOM   1887 C CZ3  . TRP B 2 34  ? 22.912  30.268 -14.255 1.000 35.177  0 15  TRP BBB CZ3  1 ? 2 
ATOM   1888 C CH2  . TRP B 2 34  ? 24.219  30.750 -14.248 1.000 36.168  0 15  TRP BBB CH2  1 ? 2 
ATOM   1889 H H    . TRP B 2 34  ? 20.468  32.786 -9.554  1.000 23.283  0 15  TRP BBB H    1 c 2 
ATOM   1890 H HA   . TRP B 2 34  ? 19.489  34.784 -11.060 1.000 22.021  0 15  TRP BBB HA   1 c 2 
ATOM   1891 H HB2  . TRP B 2 34  ? 19.697  32.087 -11.916 1.000 24.610  0 15  TRP BBB HB2  1 c 2 
ATOM   1892 H HB3  . TRP B 2 34  ? 19.438  33.309 -12.877 1.000 24.606  0 15  TRP BBB HB3  1 c 2 
ATOM   1893 H HD1  . TRP B 2 34  ? 22.011  34.911 -11.408 1.000 29.498  0 15  TRP BBB HD1  1 c 2 
ATOM   1894 H HE1  . TRP B 2 34  ? 24.226  34.337 -12.188 1.000 31.215  0 15  TRP BBB HE1  1 c 2 
ATOM   1895 H HE3  . TRP B 2 34  ? 21.016  30.661 -13.675 1.000 31.253  0 15  TRP BBB HE3  1 c 2 
ATOM   1896 H HZ2  . TRP B 2 34  ? 25.434  32.271 -13.632 1.000 35.319  0 15  TRP BBB HZ2  1 c 2 
ATOM   1897 H HZ3  . TRP B 2 34  ? 22.713  29.466 -14.711 1.000 33.919  0 15  TRP BBB HZ3  1 c 2 
ATOM   1898 H HH2  . TRP B 2 34  ? 24.891  30.261 -14.689 1.000 35.718  0 15  TRP BBB HH2  1 c 2 
ATOM   1899 N N    . LEU B 2 35  ? 17.306  32.538 -10.207 1.000 18.353  0 16  LEU BBB N    1 ? 2 
ATOM   1900 C CA   . LEU B 2 35  ? 15.830  32.271 -10.137 1.000 19.109  0 16  LEU BBB CA   1 ? 2 
ATOM   1901 C C    . LEU B 2 35  ? 15.141  33.344 -9.287  1.000 18.638  0 16  LEU BBB C    1 ? 2 
ATOM   1902 O O    . LEU B 2 35  ? 14.069  33.866 -9.689  1.000 18.125  0 16  LEU BBB O    1 ? 2 
ATOM   1903 C CB   . LEU B 2 35  ? 15.534  30.883 -9.626  1.000 20.044  0 16  LEU BBB CB   1 ? 2 
ATOM   1904 C CG   . LEU B 2 35  ? 14.046  30.559 -9.650  1.000 19.651  0 16  LEU BBB CG   1 ? 2 
ATOM   1905 C CD1  . LEU B 2 35  ? 13.476  30.676 -11.046 1.000 20.003  0 16  LEU BBB CD1  1 ? 2 
ATOM   1906 C CD2  . LEU B 2 35  ? 13.801  29.184 -9.095  1.000 20.759  0 16  LEU BBB CD2  1 ? 2 
ATOM   1907 H H    . LEU B 2 35  ? 17.834  31.917 -9.800  1.000 18.872  0 16  LEU BBB H    1 c 2 
ATOM   1908 H HA   . LEU B 2 35  ? 15.479  32.347 -11.053 1.000 18.946  0 16  LEU BBB HA   1 c 2 
ATOM   1909 H HB2  . LEU B 2 35  ? 16.013  30.232 -10.177 1.000 19.886  0 16  LEU BBB HB2  1 c 2 
ATOM   1910 H HB3  . LEU B 2 35  ? 15.864  30.805 -8.708  1.000 19.878  0 16  LEU BBB HB3  1 c 2 
ATOM   1911 H HG   . LEU B 2 35  ? 13.577  31.209 -9.071  1.000 19.874  0 16  LEU BBB HG   1 c 2 
ATOM   1912 H HD11 . LEU B 2 35  ? 13.310  31.612 -11.253 1.000 19.836  0 16  LEU BBB HD11 1 c 2 
ATOM   1913 H HD12 . LEU B 2 35  ? 12.639  30.181 -11.099 1.000 19.741  0 16  LEU BBB HD12 1 c 2 
ATOM   1914 H HD13 . LEU B 2 35  ? 14.109  30.310 -11.688 1.000 20.006  0 16  LEU BBB HD13 1 c 2 
ATOM   1915 H HD21 . LEU B 2 35  ? 14.224  28.522 -9.669  1.000 20.511  0 16  LEU BBB HD21 1 c 2 
ATOM   1916 H HD22 . LEU B 2 35  ? 12.843  29.015 -9.056  1.000 20.251  0 16  LEU BBB HD22 1 c 2 
ATOM   1917 H HD23 . LEU B 2 35  ? 14.176  29.124 -8.199  1.000 20.515  0 16  LEU BBB HD23 1 c 2 
ATOM   1918 N N    . ALA B 2 36  ? 15.655  33.642 -8.120  1.000 19.714  0 17  ALA BBB N    1 ? 2 
ATOM   1919 C CA   . ALA B 2 36  ? 15.056  34.658 -7.242  1.000 20.063  0 17  ALA BBB CA   1 ? 2 
ATOM   1920 C C    . ALA B 2 36  ? 15.003  36.021 -7.965  1.000 20.157  0 17  ALA BBB C    1 ? 2 
ATOM   1921 O O    . ALA B 2 36  ? 13.974  36.701 -7.891  1.000 19.175  0 17  ALA BBB O    1 ? 2 
ATOM   1922 C CB   . ALA B 2 36  ? 15.810  34.664 -5.929  1.000 20.768  0 17  ALA BBB CB   1 ? 2 
ATOM   1923 H H    . ALA B 2 36  ? 16.401  33.254 -7.769  1.000 19.767  0 17  ALA BBB H    1 c 2 
ATOM   1924 H HA   . ALA B 2 36  ? 14.127  34.383 -7.057  1.000 19.873  0 17  ALA BBB HA   1 c 2 
ATOM   1925 H HB1  . ALA B 2 36  ? 15.412  35.316 -5.328  1.000 20.675  0 17  ALA BBB HB1  1 c 2 
ATOM   1926 H HB2  . ALA B 2 36  ? 15.764  33.782 -5.524  1.000 20.634  0 17  ALA BBB HB2  1 c 2 
ATOM   1927 H HB3  . ALA B 2 36  ? 16.739  34.899 -6.089  1.000 20.873  0 17  ALA BBB HB3  1 c 2 
ATOM   1928 N N    . THR B 2 37  ? 16.088  36.427 -8.625  1.000 20.253  0 18  THR BBB N    1 ? 2 
ATOM   1929 C CA   . THR B 2 37  ? 16.182  37.735 -9.288  1.000 22.358  0 18  THR BBB CA   1 ? 2 
ATOM   1930 C C    . THR B 2 37  ? 15.146  37.772 -10.404 1.000 20.807  0 18  THR BBB C    1 ? 2 
ATOM   1931 O O    . THR B 2 37  ? 14.489  38.766 -10.566 1.000 20.685  0 18  THR BBB O    1 ? 2 
ATOM   1932 C CB   . THR B 2 37  ? 17.628  38.008 -9.763  1.000 26.072  0 18  THR BBB CB   1 ? 2 
ATOM   1933 O OG1  . THR B 2 37  ? 18.468  38.110 -8.611  1.000 26.164  0 18  THR BBB OG1  1 ? 2 
ATOM   1934 C CG2  . THR B 2 37  ? 17.737  39.250 -10.604 1.000 27.659  0 18  THR BBB CG2  1 ? 2 
ATOM   1935 H H    . THR B 2 37  ? 16.846  35.929 -8.711  1.000 20.896  0 18  THR BBB H    1 c 2 
ATOM   1936 H HA   . THR B 2 37  ? 15.942  38.423 -8.625  1.000 22.325  0 18  THR BBB HA   1 c 2 
ATOM   1937 H HB   . THR B 2 37  ? 17.924  37.236 -10.302 1.000 25.587  0 18  THR BBB HB   1 c 2 
ATOM   1938 H HG1  . THR B 2 37  ? 19.265  38.219 -8.809  0.000 26.370  0 18  THR BBB HG1  1 c 2 
ATOM   1939 H HG21 . THR B 2 37  ? 17.365  39.079 -11.488 1.000 27.105  0 18  THR BBB HG21 1 c 2 
ATOM   1940 H HG22 . THR B 2 37  ? 18.674  39.503 -10.691 1.000 27.509  0 18  THR BBB HG22 1 c 2 
ATOM   1941 H HG23 . THR B 2 37  ? 17.244  39.975 -10.179 1.000 27.198  0 18  THR BBB HG23 1 c 2 
ATOM   1942 N N    . ALA B 2 38  ? 15.063  36.731 -11.210 1.000 19.289  0 19  ALA BBB N    1 ? 2 
ATOM   1943 C CA   . ALA B 2 38  ? 14.126  36.703 -12.348 1.000 18.426  0 19  ALA BBB CA   1 ? 2 
ATOM   1944 C C    . ALA B 2 38  ? 12.693  36.788 -11.795 1.000 16.803  0 19  ALA BBB C    1 ? 2 
ATOM   1945 O O    . ALA B 2 38  ? 11.909  37.511 -12.403 1.000 16.819  0 19  ALA BBB O    1 ? 2 
ATOM   1946 C CB   . ALA B 2 38  ? 14.357  35.471 -13.182 1.000 17.475  0 19  ALA BBB CB   1 ? 2 
ATOM   1947 H H    . ALA B 2 38  ? 15.564  35.974 -11.135 1.000 19.468  0 19  ALA BBB H    1 c 2 
ATOM   1948 H HA   . ALA B 2 38  ? 14.292  37.498 -12.907 1.000 18.259  0 19  ALA BBB HA   1 c 2 
ATOM   1949 H HB1  . ALA B 2 38  ? 13.753  35.476 -13.943 1.000 17.760  0 19  ALA BBB HB1  1 c 2 
ATOM   1950 H HB2  . ALA B 2 38  ? 15.276  35.461 -13.498 1.000 18.023  0 19  ALA BBB HB2  1 c 2 
ATOM   1951 H HB3  . ALA B 2 38  ? 14.192  34.678 -12.644 1.000 17.659  0 19  ALA BBB HB3  1 c 2 
ATOM   1952 N N    . ALA B 2 39  ? 12.370  36.074 -10.721 1.000 16.692  0 20  ALA BBB N    1 ? 2 
ATOM   1953 C CA   . ALA B 2 39  ? 11.040  36.105 -10.065 1.000 15.942  0 20  ALA BBB CA   1 ? 2 
ATOM   1954 C C    . ALA B 2 39  ? 10.749  37.534 -9.557  1.000 16.120  0 20  ALA BBB C    1 ? 2 
ATOM   1955 O O    . ALA B 2 39  ? 9.627   38.067 -9.770  1.000 17.183  0 20  ALA BBB O    1 ? 2 
ATOM   1956 C CB   . ALA B 2 39  ? 10.986  35.120 -8.947  1.000 16.426  0 20  ALA BBB CB   1 ? 2 
ATOM   1957 H H    . ALA B 2 39  ? 12.948  35.503 -10.309 1.000 16.607  0 20  ALA BBB H    1 c 2 
ATOM   1958 H HA   . ALA B 2 39  ? 10.356  35.865 -10.733 1.000 16.081  0 20  ALA BBB HA   1 c 2 
ATOM   1959 H HB1  . ALA B 2 39  ? 10.110  35.151 -8.528  1.000 16.135  0 20  ALA BBB HB1  1 c 2 
ATOM   1960 H HB2  . ALA B 2 39  ? 11.147  34.226 -9.293  1.000 16.228  0 20  ALA BBB HB2  1 c 2 
ATOM   1961 H HB3  . ALA B 2 39  ? 11.667  35.338 -8.288  1.000 16.385  0 20  ALA BBB HB3  1 c 2 
ATOM   1962 N N    . ALA B 2 40  ? 11.708  38.133 -8.852  1.000 16.301  0 21  ALA BBB N    1 ? 2 
ATOM   1963 C CA   . ALA B 2 40  ? 11.632  39.509 -8.321  1.000 17.278  0 21  ALA BBB CA   1 ? 2 
ATOM   1964 C C    . ALA B 2 40  ? 11.352  40.527 -9.414  1.000 18.312  0 21  ALA BBB C    1 ? 2 
ATOM   1965 O O    . ALA B 2 40  ? 10.614  41.489 -9.141  1.000 18.138  0 21  ALA BBB O    1 ? 2 
ATOM   1966 C CB   . ALA B 2 40  ? 12.846  39.806 -7.497  1.000 17.934  0 21  ALA BBB CB   1 ? 2 
ATOM   1967 H H    . ALA B 2 40  ? 12.494  37.725 -8.639  1.000 16.596  0 21  ALA BBB H    1 c 2 
ATOM   1968 H HA   . ALA B 2 40  ? 10.859  39.533 -7.711  1.000 17.261  0 21  ALA BBB HA   1 c 2 
ATOM   1969 H HB1  . ALA B 2 40  ? 12.799  40.719 -7.168  1.000 17.965  0 21  ALA BBB HB1  1 c 2 
ATOM   1970 H HB2  . ALA B 2 40  ? 12.887  39.193 -6.744  1.000 17.794  0 21  ALA BBB HB2  1 c 2 
ATOM   1971 H HB3  . ALA B 2 40  ? 13.644  39.701 -8.043  1.000 17.939  0 21  ALA BBB HB3  1 c 2 
ATOM   1972 N N    . ARG B 2 41  ? 11.852  40.284 -10.631 1.000 20.381  0 22  ARG BBB N    1 ? 2 
ATOM   1973 C CA   . ARG B 2 41  ? 11.718  41.182 -11.789 1.000 22.185  0 22  ARG BBB CA   1 ? 2 
ATOM   1974 C C    . ARG B 2 41  ? 10.486  40.860 -12.620 1.000 22.486  0 22  ARG BBB C    1 ? 2 
ATOM   1975 O O    . ARG B 2 41  ? 10.255  41.563 -13.581 1.000 23.161  0 22  ARG BBB O    1 ? 2 
ATOM   1976 C CB   . ARG B 2 41  ? 12.984  41.083 -12.607 1.000 26.034  0 22  ARG BBB CB   1 ? 2 
ATOM   1977 C CG   . ARG B 2 41  ? 14.181  41.703 -11.903 1.000 30.962  0 22  ARG BBB CG   1 ? 2 
ATOM   1978 C CD   . ARG B 2 41  ? 15.406  41.546 -12.779 1.000 37.209  0 22  ARG BBB CD   1 ? 2 
ATOM   1979 N NE   . ARG B 2 41  ? 16.515  42.243 -12.112 1.000 42.627  0 22  ARG BBB NE   1 ? 2 
ATOM   1980 C CZ   . ARG B 2 41  ? 17.782  42.177 -12.489 1.000 47.011  0 22  ARG BBB CZ   1 ? 2 
ATOM   1981 N NH1  . ARG B 2 41  ? 18.100  41.457 -13.552 1.000 49.899  0 22  ARG BBB NH1  1 ? 2 
ATOM   1982 N NH2  . ARG B 2 41  ? 18.713  42.843 -11.816 1.000 50.477  0 22  ARG BBB NH2  1 ? 2 
ATOM   1983 H H    . ARG B 2 41  ? 12.323  39.528 -10.817 1.000 20.220  0 22  ARG BBB H    1 c 2 
ATOM   1984 H HA   . ARG B 2 41  ? 11.634  42.105 -11.454 1.000 22.691  0 22  ARG BBB HA   1 c 2 
ATOM   1985 H HB2  . ARG B 2 41  ? 13.173  40.139 -12.791 1.000 25.987  0 22  ARG BBB HB2  1 c 2 
ATOM   1986 H HB3  . ARG B 2 41  ? 12.847  41.539 -13.463 1.000 26.218  0 22  ARG BBB HB3  1 c 2 
ATOM   1987 H HG2  . ARG B 2 41  ? 14.014  42.656 -11.740 1.000 31.184  0 22  ARG BBB HG2  1 c 2 
ATOM   1988 H HG3  . ARG B 2 41  ? 14.332  41.260 -11.042 1.000 30.910  0 22  ARG BBB HG3  1 c 2 
ATOM   1989 H HD2  . ARG B 2 41  ? 15.621  40.595 -12.888 1.000 36.714  0 22  ARG BBB HD2  1 c 2 
ATOM   1990 H HD3  . ARG B 2 41  ? 15.243  41.938 -13.663 1.000 36.891  0 22  ARG BBB HD3  1 c 2 
ATOM   1991 H HE   . ARG B 2 41  ? 16.328  42.724 -11.407 1.000 42.583  0 22  ARG BBB HE   1 c 2 
ATOM   1992 H HH11 . ARG B 2 41  ? 17.481  41.020 -13.994 1.000 48.437  0 22  ARG BBB HH11 1 c 2 
ATOM   1993 H HH12 . ARG B 2 41  ? 18.939  41.412 -13.812 1.000 48.900  0 22  ARG BBB HH12 1 c 2 
ATOM   1994 H HH21 . ARG B 2 41  ? 18.488  43.323 -11.112 1.000 49.176  0 22  ARG BBB HH21 1 c 2 
ATOM   1995 H HH22 . ARG B 2 41  ? 19.554  42.802 -12.073 1.000 49.396  0 22  ARG BBB HH22 1 c 2 
ATOM   1996 N N    . GLY B 2 42  ? 9.761   39.796 -12.304 1.000 20.293  0 23  GLY BBB N    1 ? 2 
ATOM   1997 C CA   . GLY B 2 42  ? 8.557   39.428 -13.022 1.000 20.764  0 23  GLY BBB CA   1 ? 2 
ATOM   1998 C C    . GLY B 2 42  ? 8.842   38.924 -14.414 1.000 21.301  0 23  GLY BBB C    1 ? 2 
ATOM   1999 O O    . GLY B 2 42  ? 7.946   39.062 -15.263 1.000 21.816  0 23  GLY BBB O    1 ? 2 
ATOM   2000 H H    . GLY B 2 42  ? 9.979   39.236 -11.623 1.000 20.752  0 23  GLY BBB H    1 c 2 
ATOM   2001 H HA2  . GLY B 2 42  ? 8.083   38.725 -12.512 1.000 20.540  0 23  GLY BBB HA2  1 c 2 
ATOM   2002 H HA3  . GLY B 2 42  ? 7.963   40.217 -13.077 1.000 20.800  0 23  GLY BBB HA3  1 c 2 
ATOM   2003 N N    . ARG B 2 43  ? 9.981   38.277 -14.631 1.000 20.944  0 24  ARG BBB N    1 ? 2 
ATOM   2004 C CA   . ARG B 2 43  ? 10.455  37.852 -15.961 1.000 22.848  0 24  ARG BBB CA   1 ? 2 
ATOM   2005 C C    . ARG B 2 43  ? 10.045  36.422 -16.175 1.000 20.019  0 24  ARG BBB C    1 ? 2 
ATOM   2006 O O    . ARG B 2 43  ? 10.817  35.545 -15.838 1.000 18.122  0 24  ARG BBB O    1 ? 2 
ATOM   2007 C CB   . ARG B 2 43  ? 11.965  38.083 -16.053 1.000 28.271  0 24  ARG BBB CB   1 ? 2 
ATOM   2008 C CG   . ARG B 2 43  ? 12.285  39.570 -16.106 1.000 33.695  0 24  ARG BBB CG   1 ? 2 
ATOM   2009 C CD   . ARG B 2 43  ? 13.773  39.840 -16.076 1.000 43.681  0 24  ARG BBB CD   1 ? 2 
ATOM   2010 N NE   . ARG B 2 43  ? 14.153  40.603 -17.268 1.000 56.319  0 24  ARG BBB NE   1 ? 2 
ATOM   2011 C CZ   . ARG B 2 43  ? 14.624  40.083 -18.420 1.000 68.511  0 24  ARG BBB CZ   1 ? 2 
ATOM   2012 N NH1  . ARG B 2 43  ? 14.850  38.779 -18.548 1.000 73.503  0 24  ARG BBB NH1  1 ? 2 
ATOM   2013 N NH2  . ARG B 2 43  ? 14.873  40.878 -19.453 1.000 71.912  0 24  ARG BBB NH2  1 ? 2 
ATOM   2014 H H    . ARG B 2 43  ? 10.543  38.041 -13.954 1.000 21.410  0 24  ARG BBB H    1 c 2 
ATOM   2015 H HA   . ARG B 2 43  ? 10.012  38.410 -16.640 1.000 22.963  0 24  ARG BBB HA   1 c 2 
ATOM   2016 H HB2  . ARG B 2 43  ? 12.402  37.683 -15.272 1.000 27.893  0 24  ARG BBB HB2  1 c 2 
ATOM   2017 H HB3  . ARG B 2 43  ? 12.310  37.646 -16.859 1.000 28.148  0 24  ARG BBB HB3  1 c 2 
ATOM   2018 H HG2  . ARG B 2 43  ? 11.906  39.953 -16.927 1.000 34.535  0 24  ARG BBB HG2  1 c 2 
ATOM   2019 H HG3  . ARG B 2 43  ? 11.865  40.020 -15.342 1.000 34.220  0 24  ARG BBB HG3  1 c 2 
ATOM   2020 H HD2  . ARG B 2 43  ? 13.997  40.356 -15.272 1.000 43.596  0 24  ARG BBB HD2  1 c 2 
ATOM   2021 H HD3  . ARG B 2 43  ? 14.266  38.995 -16.045 1.000 43.637  0 24  ARG BBB HD3  1 c 2 
ATOM   2022 H HE   . ARG B 2 43  ? 14.006  41.463 -17.253 1.000 56.504  0 24  ARG BBB HE   1 c 2 
ATOM   2023 H HH11 . ARG B 2 43  ? 14.675  38.231 -17.887 1.000 70.535  0 24  ARG BBB HH11 1 c 2 
ATOM   2024 H HH12 . ARG B 2 43  ? 15.164  38.463 -19.306 1.000 71.053  0 24  ARG BBB HH12 1 c 2 
ATOM   2025 H HH21 . ARG B 2 43  ? 14.746  41.747 -19.380 1.000 70.290  0 24  ARG BBB HH21 1 c 2 
ATOM   2026 H HH22 . ARG B 2 43  ? 15.208  40.542 -20.196 1.000 70.360  0 24  ARG BBB HH22 1 c 2 
ATOM   2027 N N    . VAL B 2 44  ? 8.828   36.227 -16.675 1.000 20.042  0 25  VAL BBB N    1 ? 2 
ATOM   2028 C CA   . VAL B 2 44  ? 8.143   34.900 -16.705 1.000 20.069  0 25  VAL BBB CA   1 ? 2 
ATOM   2029 C C    . VAL B 2 44  ? 9.019   33.933 -17.479 1.000 18.406  0 25  VAL BBB C    1 ? 2 
ATOM   2030 O O    . VAL B 2 44  ? 9.270   32.835 -16.984 1.000 18.420  0 25  VAL BBB O    1 ? 2 
ATOM   2031 C CB   . VAL B 2 44  ? 6.715   34.971 -17.299 1.000 21.418  0 25  VAL BBB CB   1 ? 2 
ATOM   2032 C CG1  . VAL B 2 44  ? 6.088   33.567 -17.464 1.000 21.385  0 25  VAL BBB CG1  1 ? 2 
ATOM   2033 C CG2  . VAL B 2 44  ? 5.848   35.821 -16.403 1.000 22.187  0 25  VAL BBB CG2  1 ? 2 
ATOM   2034 H H    . VAL B 2 44  ? 8.340   36.898 -17.049 1.000 20.184  0 25  VAL BBB H    1 c 2 
ATOM   2035 H HA   . VAL B 2 44  ? 8.074   34.578 -15.788 1.000 19.718  0 25  VAL BBB HA   1 c 2 
ATOM   2036 H HB   . VAL B 2 44  ? 6.769   35.400 -18.188 1.000 21.563  0 25  VAL BBB HB   1 c 2 
ATOM   2037 H HG11 . VAL B 2 44  ? 6.415   33.158 -18.285 1.000 21.565  0 25  VAL BBB HG11 1 c 2 
ATOM   2038 H HG12 . VAL B 2 44  ? 5.119   33.646 -17.505 1.000 21.384  0 25  VAL BBB HG12 1 c 2 
ATOM   2039 H HG13 . VAL B 2 44  ? 6.335   33.010 -16.704 1.000 21.219  0 25  VAL BBB HG13 1 c 2 
ATOM   2040 H HG21 . VAL B 2 44  ? 5.821   35.431 -15.513 1.000 21.700  0 25  VAL BBB HG21 1 c 2 
ATOM   2041 H HG22 . VAL B 2 44  ? 4.947   35.861 -16.766 1.000 21.957  0 25  VAL BBB HG22 1 c 2 
ATOM   2042 H HG23 . VAL B 2 44  ? 6.214   36.721 -16.351 1.000 21.955  0 25  VAL BBB HG23 1 c 2 
ATOM   2043 N N    . GLU B 2 45  ? 9.405   34.296 -18.700 1.000 20.153  0 26  GLU BBB N    1 ? 2 
ATOM   2044 C CA   . GLU B 2 45  ? 10.130  33.364 -19.619 1.000 20.097  0 26  GLU BBB CA   1 ? 2 
ATOM   2045 C C    . GLU B 2 45  ? 11.515  33.004 -19.033 1.000 21.234  0 26  GLU BBB C    1 ? 2 
ATOM   2046 O O    . GLU B 2 45  ? 11.978  31.796 -19.093 1.000 20.040  0 26  GLU BBB O    1 ? 2 
ATOM   2047 C CB   . GLU B 2 45  ? 10.102  33.926 -21.034 1.000 22.018  0 26  GLU BBB CB   1 ? 2 
ATOM   2048 C CG   . GLU B 2 45  ? 8.718   33.860 -21.668 1.000 23.016  0 26  GLU BBB CG   1 ? 2 
ATOM   2049 C CD   . GLU B 2 45  ? 8.117   32.457 -21.814 1.000 23.228  0 26  GLU BBB CD   1 ? 2 
ATOM   2050 O OE1  . GLU B 2 45  ? 8.896   31.461 -21.868 1.000 23.159  0 26  GLU BBB OE1  1 ? 2 
ATOM   2051 O OE2  . GLU B 2 45  ? 6.890   32.366 -22.056 1.000 22.965  0 26  GLU BBB OE2  1 ? 2 
ATOM   2052 H H    . GLU B 2 45  ? 9.249   35.124 -19.045 1.000 19.862  0 26  GLU BBB H    1 c 2 
ATOM   2053 H HA   . GLU B 2 45  ? 9.610   32.530 -19.633 1.000 20.600  0 26  GLU BBB HA   1 c 2 
ATOM   2054 H HB2  . GLU B 2 45  ? 10.402  34.858 -21.011 1.000 21.915  0 26  GLU BBB HB2  1 c 2 
ATOM   2055 H HB3  . GLU B 2 45  ? 10.733  33.418 -21.587 1.000 22.048  0 26  GLU BBB HB3  1 c 2 
ATOM   2056 H HG2  . GLU B 2 45  ? 8.101   34.401 -21.131 1.000 22.686  0 26  GLU BBB HG2  1 c 2 
ATOM   2057 H HG3  . GLU B 2 45  ? 8.761   34.267 -22.560 1.000 23.162  0 26  GLU BBB HG3  1 c 2 
ATOM   2058 N N    . GLU B 2 46  ? 12.174  33.953 -18.388 1.000 20.986  0 27  GLU BBB N    1 ? 2 
ATOM   2059 C CA   . GLU B 2 46  ? 13.426  33.650 -17.652 1.000 20.676  0 27  GLU BBB CA   1 ? 2 
ATOM   2060 C C    . GLU B 2 46  ? 13.190  32.691 -16.477 1.000 18.104  0 27  GLU BBB C    1 ? 2 
ATOM   2061 O O    . GLU B 2 46  ? 13.922  31.743 -16.352 1.000 17.474  0 27  GLU BBB O    1 ? 2 
ATOM   2062 C CB   . GLU B 2 46  ? 14.036  34.962 -17.207 1.000 25.254  0 27  GLU BBB CB   1 ? 2 
ATOM   2063 C CG   . GLU B 2 46  ? 15.277  34.757 -16.443 1.000 31.305  0 27  GLU BBB CG   1 ? 2 
ATOM   2064 C CD   . GLU B 2 46  ? 16.114  36.019 -16.270 1.000 42.372  0 27  GLU BBB CD   1 ? 2 
ATOM   2065 O OE1  . GLU B 2 46  ? 15.713  37.136 -16.830 1.000 40.511  0 27  GLU BBB OE1  1 ? 2 
ATOM   2066 O OE2  . GLU B 2 46  ? 17.213  35.869 -15.591 1.000 54.016  0 27  GLU BBB OE2  1 ? 2 
ATOM   2067 H H    . GLU B 2 46  ? 11.911  34.825 -18.363 1.000 20.990  0 27  GLU BBB H    1 c 2 
ATOM   2068 H HA   . GLU B 2 46  ? 14.049  33.218 -18.280 1.000 21.226  0 27  GLU BBB HA   1 c 2 
ATOM   2069 H HB2  . GLU B 2 46  ? 14.226  35.507 -17.998 1.000 25.577  0 27  GLU BBB HB2  1 c 2 
ATOM   2070 H HB3  . GLU B 2 46  ? 13.388  35.442 -16.650 1.000 25.132  0 27  GLU BBB HB3  1 c 2 
ATOM   2071 H HG2  . GLU B 2 46  ? 15.056  34.406 -15.557 1.000 31.537  0 27  GLU BBB HG2  1 c 2 
ATOM   2072 H HG3  . GLU B 2 46  ? 15.824  34.082 -16.899 1.000 31.973  0 27  GLU BBB HG3  1 c 2 
ATOM   2073 N N    . VAL B 2 47  ? 12.185  32.892 -15.622 1.000 16.367  0 28  VAL BBB N    1 ? 2 
ATOM   2074 C CA   . VAL B 2 47  ? 11.798  31.912 -14.558 1.000 16.595  0 28  VAL BBB CA   1 ? 2 
ATOM   2075 C C    . VAL B 2 47  ? 11.551  30.537 -15.169 1.000 17.770  0 28  VAL BBB C    1 ? 2 
ATOM   2076 O O    . VAL B 2 47  ? 12.143  29.541 -14.643 1.000 18.044  0 28  VAL BBB O    1 ? 2 
ATOM   2077 C CB   . VAL B 2 47  ? 10.566  32.435 -13.760 1.000 15.946  0 28  VAL BBB CB   1 ? 2 
ATOM   2078 C CG1  . VAL B 2 47  ? 9.978   31.408 -12.791 1.000 16.884  0 28  VAL BBB CG1  1 ? 2 
ATOM   2079 C CG2  . VAL B 2 47  ? 10.909  33.705 -13.013 1.000 16.012  0 28  VAL BBB CG2  1 ? 2 
ATOM   2080 H H    . VAL B 2 47  ? 11.660  33.635 -15.649 1.000 16.759  0 28  VAL BBB H    1 c 2 
ATOM   2081 H HA   . VAL B 2 47  ? 12.546  31.835 -13.939 1.000 16.672  0 28  VAL BBB HA   1 c 2 
ATOM   2082 H HB   . VAL B 2 47  ? 9.864   32.658 -14.419 1.000 16.251  0 28  VAL BBB HB   1 c 2 
ATOM   2083 H HG11 . VAL B 2 47  ? 9.529   30.706 -13.293 1.000 16.546  0 28  VAL BBB HG11 1 c 2 
ATOM   2084 H HG12 . VAL B 2 47  ? 9.338   31.845 -12.203 1.000 16.419  0 28  VAL BBB HG12 1 c 2 
ATOM   2085 H HG13 . VAL B 2 47  ? 10.693  31.018 -12.258 1.000 16.579  0 28  VAL BBB HG13 1 c 2 
ATOM   2086 H HG21 . VAL B 2 47  ? 11.615  33.522 -12.369 1.000 16.028  0 28  VAL BBB HG21 1 c 2 
ATOM   2087 H HG22 . VAL B 2 47  ? 10.120  34.030 -12.545 1.000 15.871  0 28  VAL BBB HG22 1 c 2 
ATOM   2088 H HG23 . VAL B 2 47  ? 11.213  34.383 -13.640 1.000 16.124  0 28  VAL BBB HG23 1 c 2 
ATOM   2089 N N    . ARG B 2 48  ? 10.733  30.469 -16.226 1.000 18.246  0 29  ARG BBB N    1 ? 2 
ATOM   2090 C CA   . ARG B 2 48  ? 10.379  29.212 -16.915 1.000 19.799  0 29  ARG BBB CA   1 ? 2 
ATOM   2091 C C    . ARG B 2 48  ? 11.649  28.472 -17.356 1.000 19.725  0 29  ARG BBB C    1 ? 2 
ATOM   2092 O O    . ARG B 2 48  ? 11.769  27.282 -16.997 1.000 21.245  0 29  ARG BBB O    1 ? 2 
ATOM   2093 C CB   . ARG B 2 48  ? 9.545   29.462 -18.159 1.000 20.431  0 29  ARG BBB CB   1 ? 2 
ATOM   2094 C CG   . ARG B 2 48  ? 8.942   28.153 -18.644 1.000 22.881  0 29  ARG BBB CG   1 ? 2 
ATOM   2095 C CD   . ARG B 2 48  ? 8.315   28.265 -20.017 1.000 25.024  0 29  ARG BBB CD   1 ? 2 
ATOM   2096 N NE   . ARG B 2 48  ? 7.485   29.441 -20.149 1.000 26.192  0 29  ARG BBB NE   1 ? 2 
ATOM   2097 C CZ   . ARG B 2 48  ? 6.178   29.538 -19.823 1.000 30.228  0 29  ARG BBB CZ   1 ? 2 
ATOM   2098 N NH1  . ARG B 2 48  ? 5.481   28.523 -19.318 1.000 29.626  0 29  ARG BBB NH1  1 ? 2 
ATOM   2099 N NH2  . ARG B 2 48  ? 5.566   30.696 -19.989 1.000 31.292  0 29  ARG BBB NH2  1 ? 2 
ATOM   2100 H H    . ARG B 2 48  ? 10.340  31.207 -16.587 1.000 18.488  0 29  ARG BBB H    1 c 2 
ATOM   2101 H HA   . ARG B 2 48  ? 9.872   28.641 -16.292 1.000 19.419  0 29  ARG BBB HA   1 c 2 
ATOM   2102 H HB2  . ARG B 2 48  ? 8.830   30.097 -17.951 1.000 20.738  0 29  ARG BBB HB2  1 c 2 
ATOM   2103 H HB3  . ARG B 2 48  ? 10.111  29.845 -18.861 1.000 21.024  0 29  ARG BBB HB3  1 c 2 
ATOM   2104 H HG2  . ARG B 2 48  ? 9.639   27.464 -18.672 1.000 22.795  0 29  ARG BBB HG2  1 c 2 
ATOM   2105 H HG3  . ARG B 2 48  ? 8.257   27.859 -18.007 1.000 22.549  0 29  ARG BBB HG3  1 c 2 
ATOM   2106 H HD2  . ARG B 2 48  ? 9.026   28.298 -20.692 1.000 25.074  0 29  ARG BBB HD2  1 c 2 
ATOM   2107 H HD3  . ARG B 2 48  ? 7.775   27.465 -20.192 1.000 24.962  0 29  ARG BBB HD3  1 c 2 
ATOM   2108 H HE   . ARG B 2 48  ? 7.865   30.157 -20.464 1.000 27.079  0 29  ARG BBB HE   1 c 2 
ATOM   2109 H HH11 . ARG B 2 48  ? 5.865   27.744 -19.191 1.000 29.654  0 29  ARG BBB HH11 1 c 2 
ATOM   2110 H HH12 . ARG B 2 48  ? 4.632   28.631 -19.118 1.000 29.601  0 29  ARG BBB HH12 1 c 2 
ATOM   2111 H HH21 . ARG B 2 48  ? 6.004   31.384 -20.320 1.000 30.756  0 29  ARG BBB HH21 1 c 2 
ATOM   2112 H HH22 . ARG B 2 48  ? 4.714   30.773 -19.783 1.000 30.596  0 29  ARG BBB HH22 1 c 2 
ATOM   2113 N N    . ALA B 2 49  ? 12.582  29.154 -18.049 1.000 19.653  0 30  ALA BBB N    1 ? 2 
ATOM   2114 C CA   . ALA B 2 49  ? 13.844  28.540 -18.565 1.000 19.326  0 30  ALA BBB CA   1 ? 2 
ATOM   2115 C C    . ALA B 2 49  ? 14.721  28.056 -17.433 1.000 19.503  0 30  ALA BBB C    1 ? 2 
ATOM   2116 O O    . ALA B 2 49  ? 15.262  26.934 -17.514 1.000 20.255  0 30  ALA BBB O    1 ? 2 
ATOM   2117 C CB   . ALA B 2 49  ? 14.621  29.459 -19.446 1.000 21.029  0 30  ALA BBB CB   1 ? 2 
ATOM   2118 H H    . ALA B 2 49  ? 12.512  30.039 -18.254 1.000 19.580  0 30  ALA BBB H    1 c 2 
ATOM   2119 H HA   . ALA B 2 49  ? 13.590  27.752 -19.101 1.000 19.876  0 30  ALA BBB HA   1 c 2 
ATOM   2120 H HB1  . ALA B 2 49  ? 15.411  29.002 -19.778 1.000 20.791  0 30  ALA BBB HB1  1 c 2 
ATOM   2121 H HB2  . ALA B 2 49  ? 14.068  29.734 -20.197 1.000 20.668  0 30  ALA BBB HB2  1 c 2 
ATOM   2122 H HB3  . ALA B 2 49  ? 14.890  30.244 -18.940 1.000 20.492  0 30  ALA BBB HB3  1 c 2 
ATOM   2123 N N    . LEU B 2 50  ? 14.781  28.812 -16.339 1.000 19.174  0 31  LEU BBB N    1 ? 2 
ATOM   2124 C CA   . LEU B 2 50  ? 15.602  28.422 -15.168 1.000 19.493  0 31  LEU BBB CA   1 ? 2 
ATOM   2125 C C    . LEU B 2 50  ? 15.002  27.188 -14.498 1.000 20.127  0 31  LEU BBB C    1 ? 2 
ATOM   2126 O O    . LEU B 2 50  ? 15.729  26.284 -14.133 1.000 19.416  0 31  LEU BBB O    1 ? 2 
ATOM   2127 C CB   . LEU B 2 50  ? 15.692  29.639 -14.243 1.000 19.915  0 31  LEU BBB CB   1 ? 2 
ATOM   2128 C CG   . LEU B 2 50  ? 16.649  30.733 -14.694 1.000 19.727  0 31  LEU BBB CG   1 ? 2 
ATOM   2129 C CD1  . LEU B 2 50  ? 16.451  31.999 -13.952 1.000 18.766  0 31  LEU BBB CD1  1 ? 2 
ATOM   2130 C CD2  . LEU B 2 50  ? 18.083  30.246 -14.574 1.000 21.588  0 31  LEU BBB CD2  1 ? 2 
ATOM   2131 H H    . LEU B 2 50  ? 14.336  29.602 -16.251 1.000 19.169  0 31  LEU BBB H    1 c 2 
ATOM   2132 H HA   . LEU B 2 50  ? 16.502  28.192 -15.490 1.000 19.902  0 31  LEU BBB HA   1 c 2 
ATOM   2133 H HB2  . LEU B 2 50  ? 14.798  30.026 -14.153 1.000 19.499  0 31  LEU BBB HB2  1 c 2 
ATOM   2134 H HB3  . LEU B 2 50  ? 15.969  29.332 -13.357 1.000 19.678  0 31  LEU BBB HB3  1 c 2 
ATOM   2135 H HG   . LEU B 2 50  ? 16.472  30.913 -15.650 1.000 19.993  0 31  LEU BBB HG   1 c 2 
ATOM   2136 H HD11 . LEU B 2 50  ? 15.527  32.289 -14.044 1.000 18.852  0 31  LEU BBB HD11 1 c 2 
ATOM   2137 H HD12 . LEU B 2 50  ? 17.042  32.683 -14.312 1.000 19.206  0 31  LEU BBB HD12 1 c 2 
ATOM   2138 H HD13 . LEU B 2 50  ? 16.654  31.859 -13.011 1.000 18.997  0 31  LEU BBB HD13 1 c 2 
ATOM   2139 H HD21 . LEU B 2 50  ? 18.227  29.876 -13.686 1.000 21.056  0 31  LEU BBB HD21 1 c 2 
ATOM   2140 H HD22 . LEU B 2 50  ? 18.691  30.992 -14.716 1.000 21.244  0 31  LEU BBB HD22 1 c 2 
ATOM   2141 H HD23 . LEU B 2 50  ? 18.252  29.560 -15.243 1.000 21.206  0 31  LEU BBB HD23 1 c 2 
ATOM   2142 N N    . LEU B 2 51  ? 13.694  27.154 -14.294 1.000 19.226  0 32  LEU BBB N    1 ? 2 
ATOM   2143 C CA   . LEU B 2 51  ? 13.018  25.997 -13.663 1.000 21.191  0 32  LEU BBB CA   1 ? 2 
ATOM   2144 C C    . LEU B 2 51  ? 13.204  24.778 -14.555 1.000 23.070  0 32  LEU BBB C    1 ? 2 
ATOM   2145 O O    . LEU B 2 51  ? 13.420  23.691 -13.997 1.000 24.224  0 32  LEU BBB O    1 ? 2 
ATOM   2146 C CB   . LEU B 2 51  ? 11.520  26.295 -13.442 1.000 22.013  0 32  LEU BBB CB   1 ? 2 
ATOM   2147 C CG   . LEU B 2 51  ? 11.274  27.336 -12.349 1.000 21.826  0 32  LEU BBB CG   1 ? 2 
ATOM   2148 C CD1  . LEU B 2 51  ? 9.820   27.852 -12.385 1.000 22.310  0 32  LEU BBB CD1  1 ? 2 
ATOM   2149 C CD2  . LEU B 2 51  ? 11.644  26.802 -10.947 1.000 21.071  0 32  LEU BBB CD2  1 ? 2 
ATOM   2150 H H    . LEU B 2 51  ? 13.137  27.837 -14.526 1.000 19.754  0 32  LEU BBB H    1 c 2 
ATOM   2151 H HA   . LEU B 2 51  ? 13.449  25.821 -12.796 1.000 21.290  0 32  LEU BBB HA   1 c 2 
ATOM   2152 H HB2  . LEU B 2 51  ? 11.134  26.617 -14.281 1.000 21.769  0 32  LEU BBB HB2  1 c 2 
ATOM   2153 H HB3  . LEU B 2 51  ? 11.065  25.465 -13.199 1.000 21.764  0 32  LEU BBB HB3  1 c 2 
ATOM   2154 H HG   . LEU B 2 51  ? 11.865  28.106 -12.535 1.000 21.819  0 32  LEU BBB HG   1 c 2 
ATOM   2155 H HD11 . LEU B 2 51  ? 9.637   28.248 -13.255 1.000 22.132  0 32  LEU BBB HD11 1 c 2 
ATOM   2156 H HD12 . LEU B 2 51  ? 9.696   28.523 -11.691 1.000 21.999  0 32  LEU BBB HD12 1 c 2 
ATOM   2157 H HD13 . LEU B 2 51  ? 9.209   27.111 -12.232 1.000 22.084  0 32  LEU BBB HD13 1 c 2 
ATOM   2158 H HD21 . LEU B 2 51  ? 11.225  25.934 -10.809 1.000 21.323  0 32  LEU BBB HD21 1 c 2 
ATOM   2159 H HD22 . LEU B 2 51  ? 11.330  27.425 -10.268 1.000 21.198  0 32  LEU BBB HD22 1 c 2 
ATOM   2160 H HD23 . LEU B 2 51  ? 12.610  26.709 -10.878 1.000 21.447  0 32  LEU BBB HD23 1 c 2 
ATOM   2161 N N    . GLU B 2 52  ? 13.070  24.956 -15.872 1.000 24.588  0 33  GLU BBB N    1 ? 2 
ATOM   2162 C CA   . GLU B 2 52  ? 13.161  23.842 -16.844 1.000 26.245  0 33  GLU BBB CA   1 ? 2 
ATOM   2163 C C    . GLU B 2 52  ? 14.586  23.252 -16.797 1.000 27.837  0 33  GLU BBB C    1 ? 2 
ATOM   2164 O O    . GLU B 2 52  ? 14.746  21.996 -16.924 1.000 30.285  0 33  GLU BBB O    1 ? 2 
ATOM   2165 C CB   . GLU B 2 52  ? 12.712  24.295 -18.229 1.000 28.840  0 33  GLU BBB CB   1 ? 2 
ATOM   2166 C CG   . GLU B 2 52  ? 11.204  24.448 -18.345 1.000 30.455  0 33  GLU BBB CG   1 ? 2 
ATOM   2167 C CD   . GLU B 2 52  ? 10.442  23.133 -18.174 1.000 36.978  0 33  GLU BBB CD   1 ? 2 
ATOM   2168 O OE1  . GLU B 2 52  ? 10.812  22.118 -18.897 1.000 40.110  0 33  GLU BBB OE1  1 ? 2 
ATOM   2169 O OE2  . GLU B 2 52  ? 9.501   23.088 -17.311 1.000 37.903  0 33  GLU BBB OE2  1 ? 2 
ATOM   2170 H H    . GLU B 2 52  ? 12.908  25.770 -16.248 1.000 24.512  0 33  GLU BBB H    1 c 2 
ATOM   2171 H HA   . GLU B 2 52  ? 12.542  23.140 -16.541 1.000 26.657  0 33  GLU BBB HA   1 c 2 
ATOM   2172 H HB2  . GLU B 2 52  ? 13.139  25.153 -18.435 1.000 28.628  0 33  GLU BBB HB2  1 c 2 
ATOM   2173 H HB3  . GLU B 2 52  ? 13.019  23.639 -18.889 1.000 28.905  0 33  GLU BBB HB3  1 c 2 
ATOM   2174 H HG2  . GLU B 2 52  ? 10.891  25.078 -17.663 1.000 31.155  0 33  GLU BBB HG2  1 c 2 
ATOM   2175 H HG3  . GLU B 2 52  ? 10.986  24.825 -19.221 1.000 31.540  0 33  GLU BBB HG3  1 c 2 
ATOM   2176 N N    . ALA B 2 53  ? 15.590  24.072 -16.546 1.000 29.160  0 34  ALA BBB N    1 ? 2 
ATOM   2177 C CA   . ALA B 2 53  ? 16.982  23.609 -16.470 1.000 30.823  0 34  ALA BBB CA   1 ? 2 
ATOM   2178 C C    . ALA B 2 53  ? 17.315  23.062 -15.076 1.000 33.687  0 34  ALA BBB C    1 ? 2 
ATOM   2179 O O    . ALA B 2 53  ? 18.477  22.693 -14.941 1.000 37.820  0 34  ALA BBB O    1 ? 2 
ATOM   2180 C CB   . ALA B 2 53  ? 17.918  24.724 -16.819 1.000 31.577  0 34  ALA BBB CB   1 ? 2 
ATOM   2181 H H    . ALA B 2 53  ? 15.503  24.968 -16.408 1.000 29.019  0 34  ALA BBB H    1 c 2 
ATOM   2182 H HA   . ALA B 2 53  ? 17.105  22.882 -17.124 1.000 31.413  0 34  ALA BBB HA   1 c 2 
ATOM   2183 H HB1  . ALA B 2 53  ? 18.825  24.380 -16.887 1.000 31.639  0 34  ALA BBB HB1  1 c 2 
ATOM   2184 H HB2  . ALA B 2 53  ? 17.657  25.113 -17.670 1.000 31.426  0 34  ALA BBB HB2  1 c 2 
ATOM   2185 H HB3  . ALA B 2 53  ? 17.883  25.407 -16.128 1.000 31.219  0 34  ALA BBB HB3  1 c 2 
ATOM   2186 N N    . GLY B 2 54  ? 16.398  23.051 -14.098 1.000 29.128  0 35  GLY BBB N    1 ? 2 
ATOM   2187 C CA   . GLY B 2 54  ? 16.574  22.368 -12.813 1.000 28.692  0 35  GLY BBB CA   1 ? 2 
ATOM   2188 C C    . GLY B 2 54  ? 16.933  23.300 -11.663 1.000 28.179  0 35  GLY BBB C    1 ? 2 
ATOM   2189 O O    . GLY B 2 54  ? 17.291  22.760 -10.596 1.000 30.067  0 35  GLY BBB O    1 ? 2 
ATOM   2190 H H    . GLY B 2 54  ? 15.604  23.486 -14.173 1.000 29.740  0 35  GLY BBB H    1 c 2 
ATOM   2191 H HA2  . GLY B 2 54  ? 15.734  21.893 -12.591 1.000 28.607  0 35  GLY BBB HA2  1 c 2 
ATOM   2192 H HA3  . GLY B 2 54  ? 17.285  21.686 -12.909 1.000 28.986  0 35  GLY BBB HA3  1 c 2 
ATOM   2193 N N    . ALA B 2 55  ? 16.776  24.622 -11.818 1.000 25.927  0 36  ALA BBB N    1 ? 2 
ATOM   2194 C CA   . ALA B 2 55  ? 16.869  25.585 -10.698 1.000 26.277  0 36  ALA BBB CA   1 ? 2 
ATOM   2195 C C    . ALA B 2 55  ? 15.836  25.158 -9.640  1.000 27.094  0 36  ALA BBB C    1 ? 2 
ATOM   2196 O O    . ALA B 2 55  ? 14.661  24.898 -9.979  1.000 25.270  0 36  ALA BBB O    1 ? 2 
ATOM   2197 C CB   . ALA B 2 55  ? 16.711  27.013 -11.176 1.000 25.734  0 36  ALA BBB CB   1 ? 2 
ATOM   2198 H H    . ALA B 2 55  ? 16.604  25.025 -12.617 1.000 26.460  0 36  ALA BBB H    1 c 2 
ATOM   2199 H HA   . ALA B 2 55  ? 17.765  25.494 -10.298 1.000 26.528  0 36  ALA BBB HA   1 c 2 
ATOM   2200 H HB1  . ALA B 2 55  ? 16.815  27.621 -10.424 1.000 25.833  0 36  ALA BBB HB1  1 c 2 
ATOM   2201 H HB2  . ALA B 2 55  ? 17.389  27.209 -11.845 1.000 26.007  0 36  ALA BBB HB2  1 c 2 
ATOM   2202 H HB3  . ALA B 2 55  ? 15.829  27.130 -11.566 1.000 25.655  0 36  ALA BBB HB3  1 c 2 
ATOM   2203 N N    . LEU B 2 56  ? 16.242  25.066 -8.381  1.000 28.748  0 37  LEU BBB N    1 ? 2 
ATOM   2204 C CA   . LEU B 2 56  ? 15.324  24.488 -7.382  1.000 29.960  0 37  LEU BBB CA   1 ? 2 
ATOM   2205 C C    . LEU B 2 56  ? 14.414  25.604 -6.892  1.000 26.858  0 37  LEU BBB C    1 ? 2 
ATOM   2206 O O    . LEU B 2 56  ? 14.913  26.643 -6.449  1.000 25.705  0 37  LEU BBB O    1 ? 2 
ATOM   2207 C CB   . LEU B 2 56  ? 16.128  23.839 -6.262  1.000 35.258  0 37  LEU BBB CB   1 ? 2 
ATOM   2208 C CG   . LEU B 2 56  ? 16.920  22.599 -6.694  1.000 37.742  0 37  LEU BBB CG   1 ? 2 
ATOM   2209 C CD1  . LEU B 2 56  ? 17.567  21.960 -5.495  1.000 41.213  0 37  LEU BBB CD1  1 ? 2 
ATOM   2210 C CD2  . LEU B 2 56  ? 16.022  21.587 -7.413  1.000 40.574  0 37  LEU BBB CD2  1 ? 2 
ATOM   2211 H H    . LEU B 2 56  ? 17.056  25.340 -8.074  1.000 28.874  0 37  LEU BBB H    1 c 2 
ATOM   2212 H HA   . LEU B 2 56  ? 14.776  23.804 -7.825  1.000 29.954  0 37  LEU BBB HA   1 c 2 
ATOM   2213 H HB2  . LEU B 2 56  ? 16.752  24.501 -5.902  1.000 34.588  0 37  LEU BBB HB2  1 c 2 
ATOM   2214 H HB3  . LEU B 2 56  ? 15.515  23.586 -5.544  1.000 34.481  0 37  LEU BBB HB3  1 c 2 
ATOM   2215 H HG   . LEU B 2 56  ? 17.632  22.884 -7.318  1.000 38.494  0 37  LEU BBB HG   1 c 2 
ATOM   2216 H HD11 . LEU B 2 56  ? 18.172  22.596 -5.075  1.000 40.356  0 37  LEU BBB HD11 1 c 2 
ATOM   2217 H HD12 . LEU B 2 56  ? 18.068  21.174 -5.776  1.000 40.458  0 37  LEU BBB HD12 1 c 2 
ATOM   2218 H HD13 . LEU B 2 56  ? 16.882  21.696 -4.857  1.000 40.199  0 37  LEU BBB HD13 1 c 2 
ATOM   2219 H HD21 . LEU B 2 56  ? 15.165  21.529 -6.954  1.000 39.503  0 37  LEU BBB HD21 1 c 2 
ATOM   2220 H HD22 . LEU B 2 56  ? 16.450  20.713 -7.411  1.000 39.882  0 37  LEU BBB HD22 1 c 2 
ATOM   2221 H HD23 . LEU B 2 56  ? 15.879  21.874 -8.332  1.000 39.463  0 37  LEU BBB HD23 1 c 2 
ATOM   2222 N N    . PRO B 2 57  ? 13.059  25.435 -7.003  1.000 26.621  0 38  PRO BBB N    1 ? 2 
ATOM   2223 C CA   . PRO B 2 57  ? 12.130  26.520 -6.681  1.000 25.078  0 38  PRO BBB CA   1 ? 2 
ATOM   2224 C C    . PRO B 2 57  ? 12.142  26.962 -5.212  1.000 24.724  0 38  PRO BBB C    1 ? 2 
ATOM   2225 O O    . PRO B 2 57  ? 11.739  28.075 -4.930  1.000 24.421  0 38  PRO BBB O    1 ? 2 
ATOM   2226 C CB   . PRO B 2 57  ? 10.758  25.927 -7.048  1.000 25.570  0 38  PRO BBB CB   1 ? 2 
ATOM   2227 C CG   . PRO B 2 57  ? 10.929  24.478 -7.091  1.000 26.363  0 38  PRO BBB CG   1 ? 2 
ATOM   2228 C CD   . PRO B 2 57  ? 12.362  24.222 -7.459  1.000 28.330  0 38  PRO BBB CD   1 ? 2 
ATOM   2229 H HA   . PRO B 2 57  ? 12.319  27.295 -7.268  1.000 25.288  0 38  PRO BBB HA   1 c 2 
ATOM   2230 H HB2  . PRO B 2 57  ? 10.084  26.172 -6.379  1.000 25.483  0 38  PRO BBB HB2  1 c 2 
ATOM   2231 H HB3  . PRO B 2 57  ? 10.462  26.261 -7.922  1.000 25.439  0 38  PRO BBB HB3  1 c 2 
ATOM   2232 H HG2  . PRO B 2 57  ? 10.725  24.083 -6.218  1.000 26.699  0 38  PRO BBB HG2  1 c 2 
ATOM   2233 H HG3  . PRO B 2 57  ? 10.332  24.085 -7.757  1.000 26.544  0 38  PRO BBB HG3  1 c 2 
ATOM   2234 H HD2  . PRO B 2 57  ? 12.704  23.430 -7.004  1.000 27.718  0 38  PRO BBB HD2  1 c 2 
ATOM   2235 H HD3  . PRO B 2 57  ? 12.462  24.104 -8.421  1.000 27.493  0 38  PRO BBB HD3  1 c 2 
ATOM   2236 N N    . ASN B 2 58  ? 12.602  26.102 -4.294  1.000 25.014  0 39  ASN BBB N    1 ? 2 
ATOM   2237 C CA   . ASN B 2 58  ? 12.626  26.439 -2.853  1.000 24.932  0 39  ASN BBB CA   1 ? 2 
ATOM   2238 C C    . ASN B 2 58  ? 14.055  26.785 -2.414  1.000 28.099  0 39  ASN BBB C    1 ? 2 
ATOM   2239 O O    . ASN B 2 58  ? 14.253  26.822 -1.217  1.000 29.224  0 39  ASN BBB O    1 ? 2 
ATOM   2240 C CB   . ASN B 2 58  ? 12.014  25.302 -2.032  1.000 26.345  0 39  ASN BBB CB   1 ? 2 
ATOM   2241 C CG   . ASN B 2 58  ? 10.533  25.093 -2.340  1.000 24.509  0 39  ASN BBB CG   1 ? 2 
ATOM   2242 O OD1  . ASN B 2 58  ? 9.769   26.000 -2.101  1.000 24.841  0 39  ASN BBB OD1  1 ? 2 
ATOM   2243 N ND2  . ASN B 2 58  ? 10.152  23.928 -2.853  1.000 23.988  0 39  ASN BBB ND2  1 ? 2 
ATOM   2244 H H    . ASN B 2 58  ? 12.913  25.270 -4.493  1.000 25.067  0 39  ASN BBB H    1 c 2 
ATOM   2245 H HA   . ASN B 2 58  ? 12.061  27.235 -2.714  1.000 25.590  0 39  ASN BBB HA   1 c 2 
ATOM   2246 H HB2  . ASN B 2 58  ? 12.502  24.474 -2.220  1.000 25.838  0 39  ASN BBB HB2  1 c 2 
ATOM   2247 H HB3  . ASN B 2 58  ? 12.116  25.505 -1.080  1.000 25.866  0 39  ASN BBB HB3  1 c 2 
ATOM   2248 H HD21 . ASN B 2 58  ? 9.312   23.663 -2.773  1.000 24.091  0 39  ASN BBB HD21 1 c 2 
ATOM   2249 H HD22 . ASN B 2 58  ? 10.737  23.417 -3.276  1.000 24.249  0 39  ASN BBB HD22 1 c 2 
ATOM   2250 N N    . ALA B 2 59  ? 15.001  27.076 -3.313  1.000 28.095  0 40  ALA BBB N    1 ? 2 
ATOM   2251 C CA   . ALA B 2 59  ? 16.366  27.485 -2.880  1.000 27.978  0 40  ALA BBB CA   1 ? 2 
ATOM   2252 C C    . ALA B 2 59  ? 16.338  28.938 -2.459  1.000 27.301  0 40  ALA BBB C    1 ? 2 
ATOM   2253 O O    . ALA B 2 59  ? 15.885  29.792 -3.217  1.000 28.832  0 40  ALA BBB O    1 ? 2 
ATOM   2254 C CB   . ALA B 2 59  ? 17.374  27.212 -3.979  1.000 28.210  0 40  ALA BBB CB   1 ? 2 
ATOM   2255 H H    . ALA B 2 59  ? 14.894  27.056 -4.217  1.000 27.810  0 40  ALA BBB H    1 c 2 
ATOM   2256 H HA   . ALA B 2 59  ? 16.613  26.941 -2.098  1.000 28.235  0 40  ALA BBB HA   1 c 2 
ATOM   2257 H HB1  . ALA B 2 59  ? 18.267  27.430 -3.663  1.000 28.451  0 40  ALA BBB HB1  1 c 2 
ATOM   2258 H HB2  . ALA B 2 59  ? 17.339  26.273 -4.226  1.000 28.192  0 40  ALA BBB HB2  1 c 2 
ATOM   2259 H HB3  . ALA B 2 59  ? 17.164  27.759 -4.754  1.000 27.971  0 40  ALA BBB HB3  1 c 2 
ATOM   2260 N N    . PRO B 2 60  ? 16.815  29.299 -1.249  1.000 28.298  0 41  PRO BBB N    1 ? 2 
ATOM   2261 C CA   . PRO B 2 60  ? 16.890  30.697 -0.846  1.000 31.368  0 41  PRO BBB CA   1 ? 2 
ATOM   2262 C C    . PRO B 2 60  ? 18.069  31.502 -1.446  1.000 33.227  0 41  PRO BBB C    1 ? 2 
ATOM   2263 O O    . PRO B 2 60  ? 19.028  30.952 -1.973  1.000 32.258  0 41  PRO BBB O    1 ? 2 
ATOM   2264 C CB   . PRO B 2 60  ? 16.950  30.630 0.692   1.000 30.307  0 41  PRO BBB CB   1 ? 2 
ATOM   2265 C CG   . PRO B 2 60  ? 17.597  29.313 1.003   1.000 31.324  0 41  PRO BBB CG   1 ? 2 
ATOM   2266 C CD   . PRO B 2 60  ? 17.288  28.404 -0.183  1.000 30.665  0 41  PRO BBB CD   1 ? 2 
ATOM   2267 H HA   . PRO B 2 60  ? 16.041  31.137 -1.102  1.000 30.500  0 41  PRO BBB HA   1 c 2 
ATOM   2268 H HB2  . PRO B 2 60  ? 17.481  31.369 1.052   1.000 31.087  0 41  PRO BBB HB2  1 c 2 
ATOM   2269 H HB3  . PRO B 2 60  ? 16.049  30.672 1.079   1.000 30.675  0 41  PRO BBB HB3  1 c 2 
ATOM   2270 H HG2  . PRO B 2 60  ? 18.564  29.421 1.109   1.000 31.406  0 41  PRO BBB HG2  1 c 2 
ATOM   2271 H HG3  . PRO B 2 60  ? 17.232  28.936 1.829   1.000 31.238  0 41  PRO BBB HG3  1 c 2 
ATOM   2272 H HD2  . PRO B 2 60  ? 18.087  27.923 -0.468  1.000 30.443  0 41  PRO BBB HD2  1 c 2 
ATOM   2273 H HD3  . PRO B 2 60  ? 16.600  27.754 0.051   1.000 30.164  0 41  PRO BBB HD3  1 c 2 
ATOM   2274 N N    . ASN B 2 61  ? 17.867  32.813 -1.462  1.000 38.935  0 42  ASN BBB N    1 ? 2 
ATOM   2275 C CA   . ASN B 2 61  ? 18.878  33.831 -1.835  1.000 42.584  0 42  ASN BBB CA   1 ? 2 
ATOM   2276 C C    . ASN B 2 61  ? 19.704  34.138 -0.569  1.000 44.585  0 42  ASN BBB C    1 ? 2 
ATOM   2277 O O    . ASN B 2 61  ? 19.289  33.710 0.565   1.000 48.441  0 42  ASN BBB O    1 ? 2 
ATOM   2278 C CB   . ASN B 2 61  ? 18.199  35.033 -2.513  1.000 38.392  0 42  ASN BBB CB   1 ? 2 
ATOM   2279 C CG   . ASN B 2 61  ? 17.542  36.004 -1.556  1.000 38.261  0 42  ASN BBB CG   1 ? 2 
ATOM   2280 O OD1  . ASN B 2 61  ? 17.549  35.816 -0.349  1.000 38.158  0 42  ASN BBB OD1  1 ? 2 
ATOM   2281 N ND2  . ASN B 2 61  ? 16.948  37.056 -2.076  1.000 38.273  0 42  ASN BBB ND2  1 ? 2 
ATOM   2282 H H    . ASN B 2 61  ? 17.065  33.178 -1.233  1.000 37.988  0 42  ASN BBB H    1 c 2 
ATOM   2283 H HA   . ASN B 2 61  ? 19.482  33.427 -2.501  1.000 41.401  0 42  ASN BBB HA   1 c 2 
ATOM   2284 H HB2  . ASN B 2 61  ? 18.871  35.516 -3.037  1.000 39.381  0 42  ASN BBB HB2  1 c 2 
ATOM   2285 H HB3  . ASN B 2 61  ? 17.521  34.698 -3.135  1.000 38.894  0 42  ASN BBB HB3  1 c 2 
ATOM   2286 H HD21 . ASN B 2 61  ? 16.534  37.635 -1.551  1.000 38.262  0 42  ASN BBB HD21 1 c 2 
ATOM   2287 H HD22 . ASN B 2 61  ? 16.961  37.185 -2.950  1.000 38.060  0 42  ASN BBB HD22 1 c 2 
ATOM   2288 N N    . SER B 2 62  ? 20.782  34.916 -0.727  1.000 47.725  0 43  SER BBB N    1 ? 2 
ATOM   2289 C CA   . SER B 2 62  ? 21.578  35.575 0.352   1.000 49.186  0 43  SER BBB CA   1 ? 2 
ATOM   2290 C C    . SER B 2 62  ? 20.784  36.045 1.584   1.000 46.130  0 43  SER BBB C    1 ? 2 
ATOM   2291 O O    . SER B 2 62  ? 21.425  36.078 2.637   1.000 49.886  0 43  SER BBB O    1 ? 2 
ATOM   2292 C CB   . SER B 2 62  ? 22.389  36.757 -0.183  1.000 54.950  0 43  SER BBB CB   1 ? 2 
ATOM   2293 O OG   . SER B 2 62  ? 21.558  37.844 -0.622  1.000 52.945  0 43  SER BBB OG   1 ? 2 
ATOM   2294 H H    . SER B 2 62  ? 21.121  35.103 -1.552  1.000 47.201  0 43  SER BBB H    1 c 2 
ATOM   2295 H HA   . SER B 2 62  ? 22.231  34.897 0.675   1.000 49.674  0 43  SER BBB HA   1 c 2 
ATOM   2296 H HB2  . SER B 2 62  ? 22.992  37.078 0.525   1.000 53.668  0 43  SER BBB HB2  1 c 2 
ATOM   2297 H HB3  . SER B 2 62  ? 22.945  36.451 -0.935  1.000 53.175  0 43  SER BBB HB3  1 c 2 
ATOM   2298 H HG   . SER B 2 62  ? 22.140  38.464 -0.849  0.000 54.290  0 43  SER BBB HG   1 c 2 
ATOM   2299 N N    . TYR B 2 63  ? 19.536  36.544 1.500   1.000 44.241  0 44  TYR BBB N    1 ? 2 
ATOM   2300 C CA   . TYR B 2 63  ? 18.770  37.036 2.694   1.000 41.991  0 44  TYR BBB CA   1 ? 2 
ATOM   2301 C C    . TYR B 2 63  ? 17.947  35.883 3.268   1.000 41.665  0 44  TYR BBB C    1 ? 2 
ATOM   2302 O O    . TYR B 2 63  ? 17.209  36.132 4.308   1.000 45.550  0 44  TYR BBB O    1 ? 2 
ATOM   2303 C CB   . TYR B 2 63  ? 18.011  38.370 2.471   1.000 41.496  0 44  TYR BBB CB   1 ? 2 
ATOM   2304 C CG   . TYR B 2 63  ? 18.947  39.539 2.512   1.000 40.859  0 44  TYR BBB CG   1 ? 2 
ATOM   2305 C CD1  . TYR B 2 63  ? 19.683  39.868 1.388   1.000 43.617  0 44  TYR BBB CD1  1 ? 2 
ATOM   2306 C CD2  . TYR B 2 63  ? 19.319  40.156 3.697   1.000 44.237  0 44  TYR BBB CD2  1 ? 2 
ATOM   2307 C CE1  . TYR B 2 63  ? 20.656  40.866 1.399   1.000 44.847  0 44  TYR BBB CE1  1 ? 2 
ATOM   2308 C CE2  . TYR B 2 63  ? 20.276  41.178 3.725   1.000 42.521  0 44  TYR BBB CE2  1 ? 2 
ATOM   2309 C CZ   . TYR B 2 63  ? 20.959  41.532 2.572   1.000 42.984  0 44  TYR BBB CZ   1 ? 2 
ATOM   2310 O OH   . TYR B 2 63  ? 21.927  42.493 2.518   1.000 43.339  0 44  TYR BBB OH   1 ? 2 
ATOM   2311 H H    . TYR B 2 63  ? 19.073  36.628 0.722   1.000 43.615  0 44  TYR BBB H    1 c 2 
ATOM   2312 H HA   . TYR B 2 63  ? 19.451  37.238 3.385   1.000 42.850  0 44  TYR BBB HA   1 c 2 
ATOM   2313 H HB2  . TYR B 2 63  ? 17.561  38.341 1.601   1.000 40.895  0 44  TYR BBB HB2  1 c 2 
ATOM   2314 H HB3  . TYR B 2 63  ? 17.330  38.472 3.168   1.000 41.334  0 44  TYR BBB HB3  1 c 2 
ATOM   2315 H HD1  . TYR B 2 63  ? 19.497  39.425 0.577   1.000 42.677  0 44  TYR BBB HD1  1 c 2 
ATOM   2316 H HD2  . TYR B 2 63  ? 18.865  39.933 4.493   1.000 43.162  0 44  TYR BBB HD2  1 c 2 
ATOM   2317 H HE1  . TYR B 2 63  ? 21.102  41.097 0.601   1.000 43.936  0 44  TYR BBB HE1  1 c 2 
ATOM   2318 H HE2  . TYR B 2 63  ? 20.474  41.615 4.537   1.000 43.663  0 44  TYR BBB HE2  1 c 2 
ATOM   2319 H HH   . TYR B 2 63  ? 22.239  42.594 1.690   0.000 42.290  0 44  TYR BBB HH   1 c 2 
ATOM   2320 N N    . GLY B 2 64  ? 18.169  34.668 2.720   1.000 41.374  0 45  GLY BBB N    1 ? 2 
ATOM   2321 C CA   . GLY B 2 64  ? 17.425  33.453 3.108   1.000 40.317  0 45  GLY BBB CA   1 ? 2 
ATOM   2322 C C    . GLY B 2 64  ? 16.001  33.499 2.583   1.000 37.062  0 45  GLY BBB C    1 ? 2 
ATOM   2323 O O    . GLY B 2 64  ? 15.055  32.963 3.257   1.000 36.835  0 45  GLY BBB O    1 ? 2 
ATOM   2324 H H    . GLY B 2 64  ? 18.793  34.525 2.078   1.000 41.200  0 45  GLY BBB H    1 c 2 
ATOM   2325 H HA2  . GLY B 2 64  ? 17.888  32.658 2.745   1.000 39.852  0 45  GLY BBB HA2  1 c 2 
ATOM   2326 H HA3  . GLY B 2 64  ? 17.411  33.382 4.095   1.000 40.206  0 45  GLY BBB HA3  1 c 2 
ATOM   2327 N N    . ARG B 2 65  ? 15.824  34.186 1.449   1.000 33.901  0 46  ARG BBB N    1 ? 2 
ATOM   2328 C CA   . ARG B 2 65  ? 14.476  34.410 0.858   1.000 30.226  0 46  ARG BBB CA   1 ? 2 
ATOM   2329 C C    . ARG B 2 65  ? 14.348  33.579 -0.400  1.000 27.795  0 46  ARG BBB C    1 ? 2 
ATOM   2330 O O    . ARG B 2 65  ? 15.222  33.670 -1.258  1.000 26.997  0 46  ARG BBB O    1 ? 2 
ATOM   2331 C CB   . ARG B 2 65  ? 14.250  35.891 0.612   1.000 30.783  0 46  ARG BBB CB   1 ? 2 
ATOM   2332 C CG   . ARG B 2 65  ? 14.112  36.686 1.900   1.000 31.676  0 46  ARG BBB CG   1 ? 2 
ATOM   2333 C CD   . ARG B 2 65  ? 13.837  38.095 1.526   1.000 31.588  0 46  ARG BBB CD   1 ? 2 
ATOM   2334 N NE   . ARG B 2 65  ? 13.843  38.984 2.677   1.000 32.865  0 46  ARG BBB NE   1 ? 2 
ATOM   2335 C CZ   . ARG B 2 65  ? 14.523  40.106 2.725   1.000 32.281  0 46  ARG BBB CZ   1 ? 2 
ATOM   2336 N NH1  . ARG B 2 65  ? 15.273  40.485 1.707   1.000 33.343  0 46  ARG BBB NH1  1 ? 2 
ATOM   2337 N NH2  . ARG B 2 65  ? 14.432  40.872 3.780   1.000 35.757  0 46  ARG BBB NH2  1 ? 2 
ATOM   2338 H H    . ARG B 2 65  ? 16.508  34.544 0.967   1.000 33.841  0 46  ARG BBB H    1 c 2 
ATOM   2339 H HA   . ARG B 2 65  ? 13.802  34.099 1.505   1.000 30.506  0 46  ARG BBB HA   1 c 2 
ATOM   2340 H HB2  . ARG B 2 65  ? 15.002  36.245 0.094   1.000 30.852  0 46  ARG BBB HB2  1 c 2 
ATOM   2341 H HB3  . ARG B 2 65  ? 13.434  36.000 0.081   1.000 30.397  0 46  ARG BBB HB3  1 c 2 
ATOM   2342 H HG2  . ARG B 2 65  ? 13.373  36.333 2.441   1.000 31.492  0 46  ARG BBB HG2  1 c 2 
ATOM   2343 H HG3  . ARG B 2 65  ? 14.942  36.635 2.421   1.000 31.908  0 46  ARG BBB HG3  1 c 2 
ATOM   2344 H HD2  . ARG B 2 65  ? 14.509  38.389 0.878   1.000 31.823  0 46  ARG BBB HD2  1 c 2 
ATOM   2345 H HD3  . ARG B 2 65  ? 12.959  38.145 1.090   1.000 31.475  0 46  ARG BBB HD3  1 c 2 
ATOM   2346 H HE   . ARG B 2 65  ? 13.341  38.777 3.360   1.000 32.575  0 46  ARG BBB HE   1 c 2 
ATOM   2347 H HH11 . ARG B 2 65  ? 15.331  39.992 0.987   1.000 32.792  0 46  ARG BBB HH11 1 c 2 
ATOM   2348 H HH12 . ARG B 2 65  ? 15.721  41.233 1.755   1.000 33.307  0 46  ARG BBB HH12 1 c 2 
ATOM   2349 H HH21 . ARG B 2 65  ? 13.938  40.621 4.466   1.000 34.736  0 46  ARG BBB HH21 1 c 2 
ATOM   2350 H HH22 . ARG B 2 65  ? 14.899  41.618 3.824   1.000 34.939  0 46  ARG BBB HH22 1 c 2 
ATOM   2351 N N    . ARG B 2 66  ? 13.223  32.862 -0.519  1.000 26.758  0 47  ARG BBB N    1 ? 2 
ATOM   2352 C CA   . ARG B 2 66  ? 12.930  31.998 -1.676  1.000 25.793  0 47  ARG BBB CA   1 ? 2 
ATOM   2353 C C    . ARG B 2 66  ? 12.279  32.813 -2.790  1.000 21.444  0 47  ARG BBB C    1 ? 2 
ATOM   2354 O O    . ARG B 2 66  ? 11.690  33.863 -2.554  1.000 18.974  0 47  ARG BBB O    1 ? 2 
ATOM   2355 C CB   . ARG B 2 66  ? 12.068  30.824 -1.232  1.000 27.576  0 47  ARG BBB CB   1 ? 2 
ATOM   2356 C CG   . ARG B 2 66  ? 12.884  29.849 -0.430  1.000 33.057  0 47  ARG BBB CG   1 ? 2 
ATOM   2357 C CD   . ARG B 2 66  ? 12.043  28.965 0.435   1.000 39.294  0 47  ARG BBB CD   1 ? 2 
ATOM   2358 N NE   . ARG B 2 66  ? 13.034  28.100 1.033   1.000 45.783  0 47  ARG BBB NE   1 ? 2 
ATOM   2359 C CZ   . ARG B 2 66  ? 13.523  28.237 2.248   1.000 48.466  0 47  ARG BBB CZ   1 ? 2 
ATOM   2360 N NH1  . ARG B 2 66  ? 13.086  29.190 3.054   1.000 55.167  0 47  ARG BBB NH1  1 ? 2 
ATOM   2361 N NH2  . ARG B 2 66  ? 14.436  27.392 2.652   1.000 48.389  0 47  ARG BBB NH2  1 ? 2 
ATOM   2362 H H    . ARG B 2 66  ? 12.568  32.869 0.111   1.000 26.797  0 47  ARG BBB H    1 c 2 
ATOM   2363 H HA   . ARG B 2 66  ? 13.786  31.645 -2.008  1.000 25.519  0 47  ARG BBB HA   1 c 2 
ATOM   2364 H HB2  . ARG B 2 66  ? 11.322  31.154 -0.689  1.000 28.198  0 47  ARG BBB HB2  1 c 2 
ATOM   2365 H HB3  . ARG B 2 66  ? 11.704  30.373 -2.021  1.000 27.964  0 47  ARG BBB HB3  1 c 2 
ATOM   2366 H HG2  . ARG B 2 66  ? 13.408  29.291 -1.042  1.000 33.052  0 47  ARG BBB HG2  1 c 2 
ATOM   2367 H HG3  . ARG B 2 66  ? 13.513  30.343 0.138   1.000 33.300  0 47  ARG BBB HG3  1 c 2 
ATOM   2368 H HD2  . ARG B 2 66  ? 11.563  29.486 1.111   1.000 39.144  0 47  ARG BBB HD2  1 c 2 
ATOM   2369 H HD3  . ARG B 2 66  ? 11.407  28.449 -0.103  1.000 38.807  0 47  ARG BBB HD3  1 c 2 
ATOM   2370 H HE   . ARG B 2 66  ? 13.359  27.459 0.539   1.000 45.058  0 47  ARG BBB HE   1 c 2 
ATOM   2371 H HH11 . ARG B 2 66  ? 12.480  29.762 2.782   1.000 52.148  0 47  ARG BBB HH11 1 c 2 
ATOM   2372 H HH12 . ARG B 2 66  ? 13.421  29.262 3.863   1.000 52.774  0 47  ARG BBB HH12 1 c 2 
ATOM   2373 H HH21 . ARG B 2 66  ? 14.714  26.751 2.114   1.000 48.506  0 47  ARG BBB HH21 1 c 2 
ATOM   2374 H HH22 . ARG B 2 66  ? 14.764  27.456 3.468   1.000 48.891  0 47  ARG BBB HH22 1 c 2 
ATOM   2375 N N    . PRO B 2 67  ? 12.375  32.322 -4.037  1.000 20.106  0 48  PRO BBB N    1 ? 2 
ATOM   2376 C CA   . PRO B 2 67  ? 11.708  32.968 -5.165  1.000 19.105  0 48  PRO BBB CA   1 ? 2 
ATOM   2377 C C    . PRO B 2 67  ? 10.230  33.399 -4.906  1.000 18.147  0 48  PRO BBB C    1 ? 2 
ATOM   2378 O O    . PRO B 2 67  ? 9.873   34.517 -5.243  1.000 16.545  0 48  PRO BBB O    1 ? 2 
ATOM   2379 C CB   . PRO B 2 67  ? 11.868  31.888 -6.271  1.000 18.877  0 48  PRO BBB CB   1 ? 2 
ATOM   2380 C CG   . PRO B 2 67  ? 13.206  31.185 -5.936  1.000 20.280  0 48  PRO BBB CG   1 ? 2 
ATOM   2381 C CD   . PRO B 2 67  ? 13.152  31.125 -4.441  1.000 20.100  0 48  PRO BBB CD   1 ? 2 
ATOM   2382 H HA   . PRO B 2 67  ? 12.235  33.765 -5.426  1.000 19.158  0 48  PRO BBB HA   1 c 2 
ATOM   2383 H HB2  . PRO B 2 67  ? 11.124  31.250 -6.247  1.000 19.054  0 48  PRO BBB HB2  1 c 2 
ATOM   2384 H HB3  . PRO B 2 67  ? 11.904  32.300 -7.160  1.000 19.118  0 48  PRO BBB HB3  1 c 2 
ATOM   2385 H HG2  . PRO B 2 67  ? 13.246  30.289 -6.328  1.000 19.918  0 48  PRO BBB HG2  1 c 2 
ATOM   2386 H HG3  . PRO B 2 67  ? 13.972  31.711 -6.245  1.000 20.067  0 48  PRO BBB HG3  1 c 2 
ATOM   2387 H HD2  . PRO B 2 67  ? 12.713  30.309 -4.140  1.000 20.202  0 48  PRO BBB HD2  1 c 2 
ATOM   2388 H HD3  . PRO B 2 67  ? 14.051  31.154 -4.066  1.000 20.478  0 48  PRO BBB HD3  1 c 2 
ATOM   2389 N N    . ILE B 2 68  ? 9.431   32.541 -4.283  1.000 18.263  0 49  ILE BBB N    1 ? 2 
ATOM   2390 C CA   . ILE B 2 68  ? 7.975   32.771 -3.978  1.000 18.507  0 49  ILE BBB CA   1 ? 2 
ATOM   2391 C C    . ILE B 2 68  ? 7.864   33.945 -2.991  1.000 17.511  0 49  ILE BBB C    1 ? 2 
ATOM   2392 O O    . ILE B 2 68  ? 6.855   34.656 -3.030  1.000 17.079  0 49  ILE BBB O    1 ? 2 
ATOM   2393 C CB   . ILE B 2 68  ? 7.247   31.495 -3.459  1.000 19.500  0 49  ILE BBB CB   1 ? 2 
ATOM   2394 C CG1  . ILE B 2 68  ? 5.719   31.611 -3.621  1.000 21.754  0 49  ILE BBB CG1  1 ? 2 
ATOM   2395 C CG2  . ILE B 2 68  ? 7.571   31.144 -2.025  1.000 19.242  0 49  ILE BBB CG2  1 ? 2 
ATOM   2396 C CD1  . ILE B 2 68  ? 5.185   31.100 -4.897  1.000 22.196  0 49  ILE BBB CD1  1 ? 2 
ATOM   2397 H H    . ILE B 2 68  ? 9.728   31.730 -3.994  1.000 18.397  0 49  ILE BBB H    1 c 2 
ATOM   2398 H HA   . ILE B 2 68  ? 7.540   33.039 -4.807  1.000 18.261  0 49  ILE BBB HA   1 c 2 
ATOM   2399 H HB   . ILE B 2 68  ? 7.545   30.739 -4.022  1.000 19.615  0 49  ILE BBB HB   1 c 2 
ATOM   2400 H HG12 . ILE B 2 68  ? 5.290   31.120 -2.888  1.000 21.354  0 49  ILE BBB HG12 1 c 2 
ATOM   2401 H HG13 . ILE B 2 68  ? 5.465   32.553 -3.534  1.000 21.254  0 49  ILE BBB HG13 1 c 2 
ATOM   2402 H HG21 . ILE B 2 68  ? 8.528   31.244 -1.872  1.000 19.544  0 49  ILE BBB HG21 1 c 2 
ATOM   2403 H HG22 . ILE B 2 68  ? 7.312   30.224 -1.849  1.000 19.452  0 49  ILE BBB HG22 1 c 2 
ATOM   2404 H HG23 . ILE B 2 68  ? 7.085   31.736 -1.424  1.000 19.444  0 49  ILE BBB HG23 1 c 2 
ATOM   2405 H HD11 . ILE B 2 68  ? 5.560   31.610 -5.636  1.000 21.971  0 49  ILE BBB HD11 1 c 2 
ATOM   2406 H HD12 . ILE B 2 68  ? 4.216   31.188 -4.903  1.000 21.961  0 49  ILE BBB HD12 1 c 2 
ATOM   2407 H HD13 . ILE B 2 68  ? 5.424   30.162 -4.999  1.000 22.048  0 49  ILE BBB HD13 1 c 2 
ATOM   2408 N N    . GLN B 2 69  ? 8.907   34.190 -2.192  1.000 17.215  0 50  GLN BBB N    1 ? 2 
ATOM   2409 C CA   . GLN B 2 69  ? 8.902   35.318 -1.229  1.000 18.284  0 50  GLN BBB CA   1 ? 2 
ATOM   2410 C C    . GLN B 2 69  ? 9.282   36.625 -1.922  1.000 18.968  0 50  GLN BBB C    1 ? 2 
ATOM   2411 O O    . GLN B 2 69  ? 8.707   37.654 -1.560  1.000 20.116  0 50  GLN BBB O    1 ? 2 
ATOM   2412 C CB   . GLN B 2 69  ? 9.794   35.078 -0.011  1.000 20.246  0 50  GLN BBB CB   1 ? 2 
ATOM   2413 C CG   . GLN B 2 69  ? 9.425   33.850 0.771   1.000 21.661  0 50  GLN BBB CG   1 ? 2 
ATOM   2414 C CD   . GLN B 2 69  ? 10.455  33.475 1.808   1.000 23.598  0 50  GLN BBB CD   1 ? 2 
ATOM   2415 O OE1  . GLN B 2 69  ? 11.397  32.747 1.568   1.000 26.446  0 50  GLN BBB OE1  1 ? 2 
ATOM   2416 N NE2  . GLN B 2 69  ? 10.243  33.948 3.011   1.000 25.029  0 50  GLN BBB NE2  1 ? 2 
ATOM   2417 H H    . GLN B 2 69  ? 9.658   33.678 -2.171  1.000 17.654  0 50  GLN BBB H    1 c 2 
ATOM   2418 H HA   . GLN B 2 69  ? 7.978   35.416 -0.902  1.000 18.470  0 50  GLN BBB HA   1 c 2 
ATOM   2419 H HB2  . GLN B 2 69  ? 10.722  34.998 -0.315  1.000 20.252  0 50  GLN BBB HB2  1 c 2 
ATOM   2420 H HB3  . GLN B 2 69  ? 9.736   35.861 0.576   1.000 20.328  0 50  GLN BBB HB3  1 c 2 
ATOM   2421 H HG2  . GLN B 2 69  ? 8.563   34.000 1.215   1.000 21.665  0 50  GLN BBB HG2  1 c 2 
ATOM   2422 H HG3  . GLN B 2 69  ? 9.313   33.099 0.151   1.000 21.509  0 50  GLN BBB HG3  1 c 2 
ATOM   2423 H HE21 . GLN B 2 69  ? 10.914  34.017 3.583   1.000 25.036  0 50  GLN BBB HE21 1 c 2 
ATOM   2424 H HE22 . GLN B 2 69  ? 9.431   34.199 3.253   1.000 24.625  0 50  GLN BBB HE22 1 c 2 
ATOM   2425 N N    . VAL B 2 70  ? 10.244  36.612 -2.837  1.000 17.836  0 51  VAL BBB N    1 ? 2 
ATOM   2426 C CA   . VAL B 2 70  ? 10.797  37.861 -3.413  1.000 17.712  0 51  VAL BBB CA   1 ? 2 
ATOM   2427 C C    . VAL B 2 70  ? 10.085  38.223 -4.698  1.000 17.505  0 51  VAL BBB C    1 ? 2 
ATOM   2428 O O    . VAL B 2 70  ? 10.289  39.344 -5.141  1.000 18.369  0 51  VAL BBB O    1 ? 2 
ATOM   2429 C CB   . VAL B 2 70  ? 12.316  37.768 -3.640  1.000 19.356  0 51  VAL BBB CB   1 ? 2 
ATOM   2430 C CG1  . VAL B 2 70  ? 13.028  37.445 -2.327  1.000 21.020  0 51  VAL BBB CG1  1 ? 2 
ATOM   2431 C CG2  . VAL B 2 70  ? 12.712  36.838 -4.792  1.000 19.051  0 51  VAL BBB CG2  1 ? 2 
ATOM   2432 H H    . VAL B 2 70  ? 10.620  35.849 -3.161  1.000 17.998  0 51  VAL BBB H    1 c 2 
ATOM   2433 H HA   . VAL B 2 70  ? 10.639  38.579 -2.774  1.000 18.174  0 51  VAL BBB HA   1 c 2 
ATOM   2434 H HB   . VAL B 2 70  ? 12.610  38.675 -3.901  1.000 19.415  0 51  VAL BBB HB   1 c 2 
ATOM   2435 H HG11 . VAL B 2 70  ? 12.695  38.029 -1.624  1.000 20.721  0 51  VAL BBB HG11 1 c 2 
ATOM   2436 H HG12 . VAL B 2 70  ? 13.986  37.581 -2.434  1.000 20.810  0 51  VAL BBB HG12 1 c 2 
ATOM   2437 H HG13 . VAL B 2 70  ? 12.858  36.518 -2.085  1.000 20.539  0 51  VAL BBB HG13 1 c 2 
ATOM   2438 H HG21 . VAL B 2 70  ? 12.319  35.959 -4.652  1.000 18.964  0 51  VAL BBB HG21 1 c 2 
ATOM   2439 H HG22 . VAL B 2 70  ? 13.680  36.756 -4.824  1.000 19.286  0 51  VAL BBB HG22 1 c 2 
ATOM   2440 H HG23 . VAL B 2 70  ? 12.392  37.204 -5.634  1.000 18.972  0 51  VAL BBB HG23 1 c 2 
ATOM   2441 N N    A MET B 2 71  ? 9.228   37.344 -5.225  0.500 17.182  0 52  MET BBB N    1 ? 2 
ATOM   2442 N N    B MET B 2 71  ? 9.238   37.339 -5.230  0.500 18.154  0 52  MET BBB N    1 ? 2 
ATOM   2443 C CA   A MET B 2 71  ? 8.592   37.533 -6.551  0.500 16.389  0 52  MET BBB CA   1 ? 2 
ATOM   2444 C CA   B MET B 2 71  ? 8.601   37.531 -6.554  0.500 17.932  0 52  MET BBB CA   1 ? 2 
ATOM   2445 C C    A MET B 2 71  ? 7.842   38.874 -6.634  0.500 17.274  0 52  MET BBB C    1 ? 2 
ATOM   2446 C C    B MET B 2 71  ? 7.843   38.869 -6.635  0.500 18.188  0 52  MET BBB C    1 ? 2 
ATOM   2447 O O    A MET B 2 71  ? 7.286   39.353 -5.631  0.500 17.320  0 52  MET BBB O    1 ? 2 
ATOM   2448 O O    B MET B 2 71  ? 7.281   39.338 -5.630  0.500 18.161  0 52  MET BBB O    1 ? 2 
ATOM   2449 C CB   A MET B 2 71  ? 7.651   36.390 -6.926  0.500 15.952  0 52  MET BBB CB   1 ? 2 
ATOM   2450 C CB   B MET B 2 71  ? 7.664   36.384 -6.923  0.500 18.787  0 52  MET BBB CB   1 ? 2 
ATOM   2451 C CG   A MET B 2 71  ? 6.433   36.259 -6.052  0.500 15.346  0 52  MET BBB CG   1 ? 2 
ATOM   2452 C CG   B MET B 2 71  ? 6.519   36.170 -5.969  0.500 19.180  0 52  MET BBB CG   1 ? 2 
ATOM   2453 S SD   A MET B 2 71  ? 5.502   34.733 -6.457  0.500 14.885  0 52  MET BBB SD   1 ? 2 
ATOM   2454 S SD   B MET B 2 71  ? 5.243   35.161 -6.786  0.500 20.545  0 52  MET BBB SD   1 ? 2 
ATOM   2455 C CE   A MET B 2 71  ? 4.177   34.868 -5.260  0.500 13.446  0 52  MET BBB CE   1 ? 2 
ATOM   2456 C CE   B MET B 2 71  ? 4.822   36.294 -8.106  0.500 20.368  0 52  MET BBB CE   1 ? 2 
ATOM   2457 H H    A MET B 2 71  ? 8.981   36.575 -4.805  0.500 16.992  0 52  MET BBB H    1 c 2 
ATOM   2458 H H    B MET B 2 71  ? 8.999   36.565 -4.816  0.500 17.863  0 52  MET BBB H    1 c 2 
ATOM   2459 H HA   A MET B 2 71  ? 9.319   37.561 -7.211  0.500 16.691  0 52  MET BBB HA   1 c 2 
ATOM   2460 H HA   B MET B 2 71  ? 9.326   37.562 -7.216  0.500 18.240  0 52  MET BBB HA   1 c 2 
ATOM   2461 H HB2  A MET B 2 71  ? 7.360   36.521 -7.851  0.500 15.831  0 52  MET BBB HB2  1 c 2 
ATOM   2462 H HB2  B MET B 2 71  ? 7.300   36.557 -7.814  0.500 18.584  0 52  MET BBB HB2  1 c 2 
ATOM   2463 H HB3  A MET B 2 71  ? 8.152   35.552 -6.893  0.500 15.878  0 52  MET BBB HB3  1 c 2 
ATOM   2464 H HB3  B MET B 2 71  ? 8.188   35.560 -6.975  0.500 18.630  0 52  MET BBB HB3  1 c 2 
ATOM   2465 H HG2  A MET B 2 71  ? 6.705   36.233 -5.111  0.500 15.494  0 52  MET BBB HG2  1 c 2 
ATOM   2466 H HG2  B MET B 2 71  ? 6.838   35.708 -5.165  0.500 19.474  0 52  MET BBB HG2  1 c 2 
ATOM   2467 H HG3  A MET B 2 71  ? 5.850   37.037 -6.183  0.500 15.405  0 52  MET BBB HG3  1 c 2 
ATOM   2468 H HG3  B MET B 2 71  ? 6.137   37.034 -5.704  0.500 19.468  0 52  MET BBB HG3  1 c 2 
ATOM   2469 H HE1  A MET B 2 71  ? 3.594   34.103 -5.340  0.500 13.821  0 52  MET BBB HE1  1 c 2 
ATOM   2470 H HE1  B MET B 2 71  ? 4.264   35.843 -8.747  0.500 20.344  0 52  MET BBB HE1  1 c 2 
ATOM   2471 H HE2  A MET B 2 71  ? 4.550   34.897 -4.371  0.500 13.972  0 52  MET BBB HE2  1 c 2 
ATOM   2472 H HE2  B MET B 2 71  ? 4.346   37.049 -7.739  0.500 20.454  0 52  MET BBB HE2  1 c 2 
ATOM   2473 H HE3  A MET B 2 71  ? 3.675   35.675 -5.427  0.500 13.880  0 52  MET BBB HE3  1 c 2 
ATOM   2474 H HE3  B MET B 2 71  ? 5.630   36.599 -8.538  0.500 20.486  0 52  MET BBB HE3  1 c 2 
ATOM   2475 N N    . MET B 2 72  ? 7.825   39.450 -7.829  1.000 18.403  0 53  MET BBB N    1 ? 2 
ATOM   2476 C CA   . MET B 2 72  ? 6.953   40.552 -8.223  1.000 20.671  0 53  MET BBB CA   1 ? 2 
ATOM   2477 C C    . MET B 2 72  ? 5.481   40.139 -8.003  1.000 20.511  0 53  MET BBB C    1 ? 2 
ATOM   2478 O O    . MET B 2 72  ? 4.970   39.290 -8.739  1.000 20.550  0 53  MET BBB O    1 ? 2 
ATOM   2479 C CB   . MET B 2 72  ? 7.178   40.897 -9.679  1.000 23.827  0 53  MET BBB CB   1 ? 2 
ATOM   2480 C CG   . MET B 2 72  ? 6.239   42.027 -10.114 1.000 30.165  0 53  MET BBB CG   1 ? 2 
ATOM   2481 S SD   . MET B 2 72  ? 6.748   42.580 -11.711 1.000 36.528  0 53  MET BBB SD   1 ? 2 
ATOM   2482 C CE   . MET B 2 72  ? 5.810   44.116 -11.705 1.000 45.813  0 53  MET BBB CE   1 ? 2 
ATOM   2483 H H    . MET B 2 72  ? 8.386   39.172 -8.492  1.000 18.562  0 53  MET BBB H    1 c 2 
ATOM   2484 H HA   . MET B 2 72  ? 7.157   41.333 -7.658  1.000 20.909  0 53  MET BBB HA   1 c 2 
ATOM   2485 H HB2  . MET B 2 72  ? 8.106   41.175 -9.806  1.000 24.480  0 53  MET BBB HB2  1 c 2 
ATOM   2486 H HB3  . MET B 2 72  ? 7.015   40.105 -10.229 1.000 24.229  0 53  MET BBB HB3  1 c 2 
ATOM   2487 H HG2  . MET B 2 72  ? 5.314   41.704 -10.156 1.000 29.676  0 53  MET BBB HG2  1 c 2 
ATOM   2488 H HG3  . MET B 2 72  ? 6.288   42.770 -9.475  1.000 29.923  0 53  MET BBB HG3  1 c 2 
ATOM   2489 H HE1  . MET B 2 72  ? 5.953   44.583 -12.538 1.000 42.977  0 53  MET BBB HE1  1 c 2 
ATOM   2490 H HE2  . MET B 2 72  ? 4.871   43.918 -11.605 1.000 42.690  0 53  MET BBB HE2  1 c 2 
ATOM   2491 H HE3  . MET B 2 72  ? 6.103   44.669 -10.971 1.000 42.869  0 53  MET BBB HE3  1 c 2 
ATOM   2492 N N    . MET B 2 73  ? 4.842   40.664 -6.957  1.000 20.902  0 54  MET BBB N    1 ? 2 
ATOM   2493 C CA   . MET B 2 73  ? 3.521   40.193 -6.482  1.000 21.309  0 54  MET BBB CA   1 ? 2 
ATOM   2494 C C    . MET B 2 73  ? 2.438   40.539 -7.518  1.000 21.214  0 54  MET BBB C    1 ? 2 
ATOM   2495 O O    . MET B 2 73  ? 1.353   39.886 -7.536  1.000 22.654  0 54  MET BBB O    1 ? 2 
ATOM   2496 C CB   . MET B 2 73  ? 3.190   40.831 -5.124  1.000 22.983  0 54  MET BBB CB   1 ? 2 
ATOM   2497 C CG   . MET B 2 73  ? 3.852   40.154 -3.965  1.000 22.564  0 54  MET BBB CG   1 ? 2 
ATOM   2498 S SD   . MET B 2 73  ? 3.598   38.321 -3.818  1.000 24.497  0 54  MET BBB SD   1 ? 2 
ATOM   2499 C CE   . MET B 2 73  ? 5.023   37.798 -2.845  1.000 21.053  0 54  MET BBB CE   1 ? 2 
ATOM   2500 H H    . MET B 2 73  ? 5.187   41.352 -6.469  1.000 21.090  0 54  MET BBB H    1 c 2 
ATOM   2501 H HA   . MET B 2 73  ? 3.560   39.215 -6.387  1.000 21.364  0 54  MET BBB HA   1 c 2 
ATOM   2502 H HB2  . MET B 2 73  ? 3.461   41.770 -5.142  1.000 22.666  0 54  MET BBB HB2  1 c 2 
ATOM   2503 H HB3  . MET B 2 73  ? 2.221   40.805 -4.994  1.000 22.474  0 54  MET BBB HB3  1 c 2 
ATOM   2504 H HG2  . MET B 2 73  ? 4.817   40.323 -4.018  1.000 23.237  0 54  MET BBB HG2  1 c 2 
ATOM   2505 H HG3  . MET B 2 73  ? 3.529   40.572 -3.138  1.000 23.281  0 54  MET BBB HG3  1 c 2 
ATOM   2506 H HE1  . MET B 2 73  ? 4.986   36.843 -2.708  1.000 22.033  0 54  MET BBB HE1  1 c 2 
ATOM   2507 H HE2  . MET B 2 73  ? 5.834   38.025 -3.316  1.000 22.124  0 54  MET BBB HE2  1 c 2 
ATOM   2508 H HE3  . MET B 2 73  ? 5.011   38.247 -1.991  1.000 22.256  0 54  MET BBB HE3  1 c 2 
ATOM   2509 N N    . GLY B 2 74  ? 2.728   41.516 -8.370  1.000 20.160  0 55  GLY BBB N    1 ? 2 
ATOM   2510 C CA   . GLY B 2 74  ? 1.967   41.852 -9.586  1.000 21.746  0 55  GLY BBB CA   1 ? 2 
ATOM   2511 C C    . GLY B 2 74  ? 1.978   40.748 -10.641 1.000 21.609  0 55  GLY BBB C    1 ? 2 
ATOM   2512 O O    . GLY B 2 74  ? 1.155   40.836 -11.524 1.000 25.128  0 55  GLY BBB O    1 ? 2 
ATOM   2513 H H    . GLY B 2 74  ? 3.434   42.074 -8.231  1.000 20.892  0 55  GLY BBB H    1 c 2 
ATOM   2514 H HA2  . GLY B 2 74  ? 1.031   42.043 -9.330  1.000 21.392  0 55  GLY BBB HA2  1 c 2 
ATOM   2515 H HA3  . GLY B 2 74  ? 2.346   42.678 -9.978  1.000 21.532  0 55  GLY BBB HA3  1 c 2 
ATOM   2516 N N    . SER B 2 75  ? 2.806   39.731 -10.573 1.000 19.955  0 56  SER BBB N    1 ? 2 
ATOM   2517 C CA   . SER B 2 75  ? 2.888   38.703 -11.640 1.000 20.152  0 56  SER BBB CA   1 ? 2 
ATOM   2518 C C    . SER B 2 75  ? 2.310   37.405 -11.107 1.000 18.710  0 56  SER BBB C    1 ? 2 
ATOM   2519 O O    . SER B 2 75  ? 3.108   36.531 -10.665 1.000 17.713  0 56  SER BBB O    1 ? 2 
ATOM   2520 C CB   . SER B 2 75  ? 4.317   38.513 -12.165 1.000 20.513  0 56  SER BBB CB   1 ? 2 
ATOM   2521 O OG   . SER B 2 75  ? 4.331   37.513 -13.182 1.000 21.580  0 56  SER BBB OG   1 ? 2 
ATOM   2522 H H    . SER B 2 75  ? 3.389   39.582 -9.891  1.000 20.307  0 56  SER BBB H    1 c 2 
ATOM   2523 H HA   . SER B 2 75  ? 2.319   39.001 -12.399 1.000 20.036  0 56  SER BBB HA   1 c 2 
ATOM   2524 H HB2  . SER B 2 75  ? 4.649   39.364 -12.532 1.000 20.825  0 56  SER BBB HB2  1 c 2 
ATOM   2525 H HB3  . SER B 2 75  ? 4.909   38.244 -11.426 1.000 20.600  0 56  SER BBB HB3  1 c 2 
ATOM   2526 H HG   . SER B 2 75  ? 5.137   37.428 -13.458 0.000 22.300  0 56  SER BBB HG   1 c 2 
ATOM   2527 N N    . ALA B 2 76  ? 0.988   37.224 -11.231 1.000 16.668  0 57  ALA BBB N    1 ? 2 
ATOM   2528 C CA   . ALA B 2 76  ? 0.342   35.934 -10.884 1.000 16.306  0 57  ALA BBB CA   1 ? 2 
ATOM   2529 C C    . ALA B 2 76  ? 0.920   34.814 -11.720 1.000 18.203  0 57  ALA BBB C    1 ? 2 
ATOM   2530 O O    . ALA B 2 76  ? 1.025   33.694 -11.233 1.000 18.875  0 57  ALA BBB O    1 ? 2 
ATOM   2531 C CB   . ALA B 2 76  ? -1.194  36.062 -10.983 1.000 17.207  0 57  ALA BBB CB   1 ? 2 
ATOM   2532 H H    . ALA B 2 76  ? 0.402   37.855 -11.528 1.000 17.171  0 57  ALA BBB H    1 c 2 
ATOM   2533 H HA   . ALA B 2 76  ? 0.564   35.740 -9.943  1.000 16.771  0 57  ALA BBB HA   1 c 2 
ATOM   2534 H HB1  . ALA B 2 76  ? -1.607  35.217 -10.739 1.000 16.922  0 57  ALA BBB HB1  1 c 2 
ATOM   2535 H HB2  . ALA B 2 76  ? -1.502  36.759 -10.379 1.000 16.963  0 57  ALA BBB HB2  1 c 2 
ATOM   2536 H HB3  . ALA B 2 76  ? -1.443  36.292 -11.894 1.000 17.082  0 57  ALA BBB HB3  1 c 2 
ATOM   2537 N N    . ARG B 2 77  ? 1.408   35.081 -12.946 1.000 19.628  0 58  ARG BBB N    1 ? 2 
ATOM   2538 C CA   . ARG B 2 77  ? 2.035   34.060 -13.802 1.000 20.030  0 58  ARG BBB CA   1 ? 2 
ATOM   2539 C C    . ARG B 2 77  ? 3.335   33.529 -13.198 1.000 17.843  0 58  ARG BBB C    1 ? 2 
ATOM   2540 O O    . ARG B 2 77  ? 3.587   32.312 -13.292 1.000 18.386  0 58  ARG BBB O    1 ? 2 
ATOM   2541 C CB   . ARG B 2 77  ? 2.358   34.685 -15.155 1.000 23.817  0 58  ARG BBB CB   1 ? 2 
ATOM   2542 C CG   . ARG B 2 77  ? 1.569   34.214 -16.347 1.000 28.369  0 58  ARG BBB CG   1 ? 2 
ATOM   2543 C CD   . ARG B 2 77  ? 2.024   34.968 -17.634 1.000 24.641  0 58  ARG BBB CD   1 ? 2 
ATOM   2544 N NE   . ARG B 2 77  ? 2.492   33.975 -18.522 1.000 24.184  0 58  ARG BBB NE   1 ? 2 
ATOM   2545 C CZ   . ARG B 2 77  ? 3.262   34.170 -19.548 1.000 23.151  0 58  ARG BBB CZ   1 ? 2 
ATOM   2546 N NH1  . ARG B 2 77  ? 3.856   35.337 -19.760 1.000 24.886  0 58  ARG BBB NH1  1 ? 2 
ATOM   2547 N NH2  . ARG B 2 77  ? 3.594   33.138 -20.269 1.000 23.427  0 58  ARG BBB NH2  1 ? 2 
ATOM   2548 H H    . ARG B 2 77  ? 1.363   35.908 -13.322 1.000 19.503  0 58  ARG BBB H    1 c 2 
ATOM   2549 H HA   . ARG B 2 77  ? 1.405   33.314 -13.927 1.000 20.203  0 58  ARG BBB HA   1 c 2 
ATOM   2550 H HB2  . ARG B 2 77  ? 2.242   35.655 -15.080 1.000 23.838  0 58  ARG BBB HB2  1 c 2 
ATOM   2551 H HB3  . ARG B 2 77  ? 3.307   34.523 -15.342 1.000 23.818  0 58  ARG BBB HB3  1 c 2 
ATOM   2552 H HG2  . ARG B 2 77  ? 1.694   33.248 -16.464 1.000 26.007  0 58  ARG BBB HG2  1 c 2 
ATOM   2553 H HG3  . ARG B 2 77  ? 0.619   34.385 -16.194 1.000 24.815  0 58  ARG BBB HG3  1 c 2 
ATOM   2554 H HD2  . ARG B 2 77  ? 1.269   35.453 -18.032 1.000 25.533  0 58  ARG BBB HD2  1 c 2 
ATOM   2555 H HD3  . ARG B 2 77  ? 2.738   35.605 -17.420 1.000 25.309  0 58  ARG BBB HD3  1 c 2 
ATOM   2556 H HE   . ARG B 2 77  ? 2.149   33.177 -18.439 1.000 23.986  0 58  ARG BBB HE   1 c 2 
ATOM   2557 H HH11 . ARG B 2 77  ? 3.648   36.035 -19.271 1.000 24.256  0 58  ARG BBB HH11 1 c 2 
ATOM   2558 H HH12 . ARG B 2 77  ? 4.400   35.430 -20.444 1.000 24.539  0 58  ARG BBB HH12 1 c 2 
ATOM   2559 H HH21 . ARG B 2 77  ? 3.232   32.357 -20.109 1.000 23.469  0 58  ARG BBB HH21 1 c 2 
ATOM   2560 H HH22 . ARG B 2 77  ? 4.151   33.235 -20.945 1.000 23.690  0 58  ARG BBB HH22 1 c 2 
ATOM   2561 N N    . VAL B 2 78  ? 4.207   34.363 -12.639 1.000 17.422  0 59  VAL BBB N    1 ? 2 
ATOM   2562 C CA   . VAL B 2 78  ? 5.435   33.891 -11.945 1.000 16.726  0 59  VAL BBB CA   1 ? 2 
ATOM   2563 C C    . VAL B 2 78  ? 5.051   32.982 -10.808 1.000 15.507  0 59  VAL BBB C    1 ? 2 
ATOM   2564 O O    . VAL B 2 78  ? 5.678   31.944 -10.665 1.000 15.416  0 59  VAL BBB O    1 ? 2 
ATOM   2565 C CB   . VAL B 2 78  ? 6.337   35.047 -11.470 1.000 17.285  0 59  VAL BBB CB   1 ? 2 
ATOM   2566 C CG1  . VAL B 2 78  ? 7.420   34.550 -10.497 1.000 19.332  0 59  VAL BBB CG1  1 ? 2 
ATOM   2567 C CG2  . VAL B 2 78  ? 7.011   35.675 -12.671 1.000 19.584  0 59  VAL BBB CG2  1 ? 2 
ATOM   2568 H H    . VAL B 2 78  ? 4.107   35.269 -12.648 1.000 17.400  0 59  VAL BBB H    1 c 2 
ATOM   2569 H HA   . VAL B 2 78  ? 5.946   33.363 -12.585 1.000 16.799  0 59  VAL BBB HA   1 c 2 
ATOM   2570 H HB   . VAL B 2 78  ? 5.778   35.726 -11.018 1.000 17.920  0 59  VAL BBB HB   1 c 2 
ATOM   2571 H HG11 . VAL B 2 78  ? 7.022   34.373 -9.627  1.000 18.596  0 59  VAL BBB HG11 1 c 2 
ATOM   2572 H HG12 . VAL B 2 78  ? 8.109   35.231 -10.403 1.000 18.753  0 59  VAL BBB HG12 1 c 2 
ATOM   2573 H HG13 . VAL B 2 78  ? 7.820   33.733 -10.844 1.000 18.684  0 59  VAL BBB HG13 1 c 2 
ATOM   2574 H HG21 . VAL B 2 78  ? 7.604   35.025 -13.087 1.000 18.946  0 59  VAL BBB HG21 1 c 2 
ATOM   2575 H HG22 . VAL B 2 78  ? 7.529   36.447 -12.386 1.000 18.969  0 59  VAL BBB HG22 1 c 2 
ATOM   2576 H HG23 . VAL B 2 78  ? 6.338   35.955 -13.313 1.000 18.960  0 59  VAL BBB HG23 1 c 2 
ATOM   2577 N N    . ALA B 2 79  ? 4.072   33.377 -10.012 1.000 14.750  0 60  ALA BBB N    1 ? 2 
ATOM   2578 C CA   . ALA B 2 79  ? 3.601   32.605 -8.816  1.000 15.974  0 60  ALA BBB CA   1 ? 2 
ATOM   2579 C C    . ALA B 2 79  ? 3.158   31.205 -9.267  1.000 15.283  0 60  ALA BBB C    1 ? 2 
ATOM   2580 O O    . ALA B 2 79  ? 3.572   30.213 -8.689  1.000 13.792  0 60  ALA BBB O    1 ? 2 
ATOM   2581 C CB   . ALA B 2 79  ? 2.531   33.349 -8.056  1.000 15.799  0 60  ALA BBB CB   1 ? 2 
ATOM   2582 H H    . ALA B 2 79  ? 3.605   34.149 -10.136 1.000 15.241  0 60  ALA BBB H    1 c 2 
ATOM   2583 H HA   . ALA B 2 79  ? 4.374   32.491 -8.214  1.000 15.565  0 60  ALA BBB HA   1 c 2 
ATOM   2584 H HB1  . ALA B 2 79  ? 2.384   32.919 -7.196  1.000 15.853  0 60  ALA BBB HB1  1 c 2 
ATOM   2585 H HB2  . ALA B 2 79  ? 2.810   34.268 -7.913  1.000 15.889  0 60  ALA BBB HB2  1 c 2 
ATOM   2586 H HB3  . ALA B 2 79  ? 1.704   33.339 -8.567  1.000 15.862  0 60  ALA BBB HB3  1 c 2 
ATOM   2587 N N    . GLU B 2 80  ? 2.294   31.143 -10.281 1.000 17.004  0 61  GLU BBB N    1 ? 2 
ATOM   2588 C CA   . GLU B 2 80  ? 1.801   29.823 -10.737 1.000 19.070  0 61  GLU BBB CA   1 ? 2 
ATOM   2589 C C    . GLU B 2 80  ? 2.875   28.899 -11.291 1.000 17.929  0 61  GLU BBB C    1 ? 2 
ATOM   2590 O O    . GLU B 2 80  ? 2.876   27.717 -11.030 1.000 18.168  0 61  GLU BBB O    1 ? 2 
ATOM   2591 C CB   . GLU B 2 80  ? 0.787   30.045 -11.833 1.000 22.544  0 61  GLU BBB CB   1 ? 2 
ATOM   2592 C CG   . GLU B 2 80  ? -0.510  30.360 -11.312 1.000 26.542  0 61  GLU BBB CG   1 ? 2 
ATOM   2593 C CD   . GLU B 2 80  ? -1.523  30.635 -12.423 1.000 31.603  0 61  GLU BBB CD   1 ? 2 
ATOM   2594 O OE1  . GLU B 2 80  ? -1.157  31.300 -13.500 1.000 40.869  0 61  GLU BBB OE1  1 ? 2 
ATOM   2595 O OE2  . GLU B 2 80  ? -2.641  30.248 -12.173 1.000 28.185  0 61  GLU BBB OE2  1 ? 2 
ATOM   2596 H H    . GLU B 2 80  ? 1.968   31.869 -10.723 1.000 17.067  0 61  GLU BBB H    1 c 2 
ATOM   2597 H HA   . GLU B 2 80  ? 1.361   29.375 -9.978  1.000 19.019  0 61  GLU BBB HA   1 c 2 
ATOM   2598 H HB2  . GLU B 2 80  ? 1.093   30.777 -12.407 1.000 22.575  0 61  GLU BBB HB2  1 c 2 
ATOM   2599 H HB3  . GLU B 2 80  ? 0.725   29.234 -12.380 1.000 22.652  0 61  GLU BBB HB3  1 c 2 
ATOM   2600 H HG2  . GLU B 2 80  ? -0.833  29.613 -10.764 1.000 26.550  0 61  GLU BBB HG2  1 c 2 
ATOM   2601 H HG3  . GLU B 2 80  ? -0.447  31.152 -10.739 1.000 26.444  0 61  GLU BBB HG3  1 c 2 
ATOM   2602 N N    . LEU B 2 81  ? 3.820   29.423 -12.081 1.000 17.728  0 62  LEU BBB N    1 ? 2 
ATOM   2603 C CA   . LEU B 2 81  ? 4.968   28.706 -12.568 1.000 17.887  0 62  LEU BBB CA   1 ? 2 
ATOM   2604 C C    . LEU B 2 81  ? 5.829   28.178 -11.414 1.000 16.659  0 62  LEU BBB C    1 ? 2 
ATOM   2605 O O    . LEU B 2 81  ? 6.185   26.990 -11.473 1.000 17.661  0 62  LEU BBB O    1 ? 2 
ATOM   2606 C CB   . LEU B 2 81  ? 5.680   29.710 -13.465 1.000 21.312  0 62  LEU BBB CB   1 ? 2 
ATOM   2607 C CG   . LEU B 2 81  ? 6.607   29.194 -14.505 1.000 24.522  0 62  LEU BBB CG   1 ? 2 
ATOM   2608 C CD1  . LEU B 2 81  ? 5.942   28.088 -15.355 1.000 24.612  0 62  LEU BBB CD1  1 ? 2 
ATOM   2609 C CD2  . LEU B 2 81  ? 7.040   30.372 -15.387 1.000 24.974  0 62  LEU BBB CD2  1 ? 2 
ATOM   2610 H H    . LEU B 2 81  ? 3.790   30.292 -12.350 1.000 17.806  0 62  LEU BBB H    1 c 2 
ATOM   2611 H HA   . LEU B 2 81  ? 4.653   27.944 -13.104 1.000 18.352  0 62  LEU BBB HA   1 c 2 
ATOM   2612 H HB2  . LEU B 2 81  ? 4.997   30.242 -13.920 1.000 21.115  0 62  LEU BBB HB2  1 c 2 
ATOM   2613 H HB3  . LEU B 2 81  ? 6.183   30.321 -12.890 1.000 21.022  0 62  LEU BBB HB3  1 c 2 
ATOM   2614 H HG   . LEU B 2 81  ? 7.406   28.818 -14.060 1.000 23.955  0 62  LEU BBB HG   1 c 2 
ATOM   2615 H HD11 . LEU B 2 81  ? 5.946   27.250 -14.860 1.000 24.590  0 62  LEU BBB HD11 1 c 2 
ATOM   2616 H HD12 . LEU B 2 81  ? 6.438   27.974 -16.185 1.000 24.795  0 62  LEU BBB HD12 1 c 2 
ATOM   2617 H HD13 . LEU B 2 81  ? 5.025   28.341 -15.558 1.000 24.632  0 62  LEU BBB HD13 1 c 2 
ATOM   2618 H HD21 . LEU B 2 81  ? 6.266   30.727 -15.859 1.000 24.898  0 62  LEU BBB HD21 1 c 2 
ATOM   2619 H HD22 . LEU B 2 81  ? 7.700   30.068 -16.032 1.000 24.992  0 62  LEU BBB HD22 1 c 2 
ATOM   2620 H HD23 . LEU B 2 81  ? 7.429   31.069 -14.831 1.000 24.780  0 62  LEU BBB HD23 1 c 2 
ATOM   2621 N N    . LEU B 2 82  ? 6.164   29.011 -10.426 1.000 15.102  0 63  LEU BBB N    1 ? 2 
ATOM   2622 C CA   . LEU B 2 82  ? 6.896   28.590 -9.195  1.000 15.679  0 63  LEU BBB CA   1 ? 2 
ATOM   2623 C C    . LEU B 2 82  ? 6.150   27.436 -8.526  1.000 15.029  0 63  LEU BBB C    1 ? 2 
ATOM   2624 O O    . LEU B 2 82  ? 6.764   26.419 -8.216  1.000 16.651  0 63  LEU BBB O    1 ? 2 
ATOM   2625 C CB   . LEU B 2 82  ? 7.117   29.774 -8.249  1.000 16.118  0 63  LEU BBB CB   1 ? 2 
ATOM   2626 C CG   . LEU B 2 82  ? 8.199   30.784 -8.679  1.000 17.339  0 63  LEU BBB CG   1 ? 2 
ATOM   2627 C CD1  . LEU B 2 82  ? 8.144   31.982 -7.768  1.000 16.952  0 63  LEU BBB CD1  1 ? 2 
ATOM   2628 C CD2  . LEU B 2 82  ? 9.634   30.148 -8.733  1.000 18.961  0 63  LEU BBB CD2  1 ? 2 
ATOM   2629 H H    . LEU B 2 82  ? 5.963   29.900 -10.449 1.000 15.520  0 63  LEU BBB H    1 c 2 
ATOM   2630 H HA   . LEU B 2 82  ? 7.775   28.250 -9.480  1.000 15.631  0 63  LEU BBB HA   1 c 2 
ATOM   2631 H HB2  . LEU B 2 82  ? 6.269   30.252 -8.153  1.000 16.192  0 63  LEU BBB HB2  1 c 2 
ATOM   2632 H HB3  . LEU B 2 82  ? 7.357   29.422 -7.369  1.000 16.319  0 63  LEU BBB HB3  1 c 2 
ATOM   2633 H HG   . LEU B 2 82  ? 7.975   31.092 -9.592  1.000 17.276  0 63  LEU BBB HG   1 c 2 
ATOM   2634 H HD11 . LEU B 2 82  ? 7.264   32.394 -7.826  1.000 16.986  0 63  LEU BBB HD11 1 c 2 
ATOM   2635 H HD12 . LEU B 2 82  ? 8.822   32.626 -8.037  1.000 17.136  0 63  LEU BBB HD12 1 c 2 
ATOM   2636 H HD13 . LEU B 2 82  ? 8.310   31.700 -6.852  1.000 17.123  0 63  LEU BBB HD13 1 c 2 
ATOM   2637 H HD21 . LEU B 2 82  ? 9.814   29.681 -7.898  1.000 18.554  0 63  LEU BBB HD21 1 c 2 
ATOM   2638 H HD22 . LEU B 2 82  ? 10.295  30.850 -8.861  1.000 18.562  0 63  LEU BBB HD22 1 c 2 
ATOM   2639 H HD23 . LEU B 2 82  ? 9.683   29.518 -9.473  1.000 18.517  0 63  LEU BBB HD23 1 c 2 
ATOM   2640 N N    . LEU B 2 83  ? 4.866   27.588 -8.321  1.000 16.487  0 64  LEU BBB N    1 ? 2 
ATOM   2641 C CA   . LEU B 2 83  ? 4.033   26.541 -7.652  1.000 18.028  0 64  LEU BBB CA   1 ? 2 
ATOM   2642 C C    . LEU B 2 83  ? 3.896   25.250 -8.489  1.000 19.018  0 64  LEU BBB C    1 ? 2 
ATOM   2643 O O    . LEU B 2 83  ? 3.998   24.147 -7.919  1.000 17.833  0 64  LEU BBB O    1 ? 2 
ATOM   2644 C CB   . LEU B 2 83  ? 2.680   27.172 -7.309  1.000 18.014  0 64  LEU BBB CB   1 ? 2 
ATOM   2645 C CG   . LEU B 2 83  ? 2.714   28.281 -6.255  1.000 19.145  0 64  LEU BBB CG   1 ? 2 
ATOM   2646 C CD1  . LEU B 2 83  ? 1.479   29.143 -6.334  1.000 18.998  0 64  LEU BBB CD1  1 ? 2 
ATOM   2647 C CD2  . LEU B 2 83  ? 2.948   27.787 -4.831  1.000 20.737  0 64  LEU BBB CD2  1 ? 2 
ATOM   2648 H H    . LEU B 2 83  ? 4.407   28.333 -8.575  1.000 16.382  0 64  LEU BBB H    1 c 2 
ATOM   2649 H HA   . LEU B 2 83  ? 4.484   26.302 -6.810  1.000 17.956  0 64  LEU BBB HA   1 c 2 
ATOM   2650 H HB2  . LEU B 2 83  ? 2.294   27.537 -8.131  1.000 18.237  0 64  LEU BBB HB2  1 c 2 
ATOM   2651 H HB3  . LEU B 2 83  ? 2.083   26.465 -6.994  1.000 18.355  0 64  LEU BBB HB3  1 c 2 
ATOM   2652 H HG   . LEU B 2 83  ? 3.480   28.863 -6.479  1.000 19.098  0 64  LEU BBB HG   1 c 2 
ATOM   2653 H HD11 . LEU B 2 83  ? 1.418   29.543 -7.219  1.000 18.963  0 64  LEU BBB HD11 1 c 2 
ATOM   2654 H HD12 . LEU B 2 83  ? 1.529   29.846 -5.664  1.000 19.010  0 64  LEU BBB HD12 1 c 2 
ATOM   2655 H HD13 . LEU B 2 83  ? 0.690   28.597 -6.171  1.000 19.069  0 64  LEU BBB HD13 1 c 2 
ATOM   2656 H HD21 . LEU B 2 83  ? 2.285   27.111 -4.608  1.000 20.345  0 64  LEU BBB HD21 1 c 2 
ATOM   2657 H HD22 . LEU B 2 83  ? 2.871   28.534 -4.211  1.000 20.266  0 64  LEU BBB HD22 1 c 2 
ATOM   2658 H HD23 . LEU B 2 83  ? 3.839   27.403 -4.764  1.000 20.336  0 64  LEU BBB HD23 1 c 2 
ATOM   2659 N N    . LEU B 2 84  ? 3.735   25.362 -9.810  1.000 19.693  0 65  LEU BBB N    1 ? 2 
ATOM   2660 C CA   . LEU B 2 84  ? 3.706   24.202 -10.711 1.000 21.952  0 65  LEU BBB CA   1 ? 2 
ATOM   2661 C C    . LEU B 2 84  ? 4.959   23.376 -10.499 1.000 22.458  0 65  LEU BBB C    1 ? 2 
ATOM   2662 O O    . LEU B 2 84  ? 4.887   22.148 -10.522 1.000 21.820  0 65  LEU BBB O    1 ? 2 
ATOM   2663 C CB   . LEU B 2 84  ? 3.599   24.735 -12.123 1.000 22.983  0 65  LEU BBB CB   1 ? 2 
ATOM   2664 C CG   . LEU B 2 84  ? 2.998   23.888 -13.196 1.000 27.547  0 65  LEU BBB CG   1 ? 2 
ATOM   2665 C CD1  . LEU B 2 84  ? 1.729   23.193 -12.760 1.000 26.227  0 65  LEU BBB CD1  1 ? 2 
ATOM   2666 C CD2  . LEU B 2 84  ? 2.795   24.816 -14.401 1.000 30.794  0 65  LEU BBB CD2  1 ? 2 
ATOM   2667 H H    . LEU B 2 84  ? 3.637   26.166 -10.225 1.000 19.934  0 65  LEU BBB H    1 c 2 
ATOM   2668 H HA   . LEU B 2 84  ? 2.918   23.655 -10.494 1.000 21.886  0 65  LEU BBB HA   1 c 2 
ATOM   2669 H HB2  . LEU B 2 84  ? 3.080   25.562 -12.084 1.000 23.573  0 65  LEU BBB HB2  1 c 2 
ATOM   2670 H HB3  . LEU B 2 84  ? 4.500   24.983 -12.412 1.000 23.670  0 65  LEU BBB HB3  1 c 2 
ATOM   2671 H HG   . LEU B 2 84  ? 3.658   23.195 -13.448 1.000 27.066  0 65  LEU BBB HG   1 c 2 
ATOM   2672 H HD11 . LEU B 2 84  ? 1.942   22.493 -12.119 1.000 26.673  0 65  LEU BBB HD11 1 c 2 
ATOM   2673 H HD12 . LEU B 2 84  ? 1.293   22.798 -13.536 1.000 26.840  0 65  LEU BBB HD12 1 c 2 
ATOM   2674 H HD13 . LEU B 2 84  ? 1.131   23.839 -12.349 1.000 26.547  0 65  LEU BBB HD13 1 c 2 
ATOM   2675 H HD21 . LEU B 2 84  ? 2.280   25.596 -14.129 1.000 29.619  0 65  LEU BBB HD21 1 c 2 
ATOM   2676 H HD22 . LEU B 2 84  ? 2.314   24.340 -15.095 1.000 29.963  0 65  LEU BBB HD22 1 c 2 
ATOM   2677 H HD23 . LEU B 2 84  ? 3.660   25.102 -14.742 1.000 29.757  0 65  LEU BBB HD23 1 c 2 
ATOM   2678 N N    . HIS B 2 85  ? 6.103   24.027 -10.321 1.000 20.594  0 66  HIS BBB N    1 ? 2 
ATOM   2679 C CA   . HIS B 2 85  ? 7.407   23.358 -10.172 1.000 20.232  0 66  HIS BBB CA   1 ? 2 
ATOM   2680 C C    . HIS B 2 85  ? 7.718   23.009 -8.727  1.000 19.793  0 66  HIS BBB C    1 ? 2 
ATOM   2681 O O    . HIS B 2 85  ? 8.789   22.537 -8.541  1.000 22.162  0 66  HIS BBB O    1 ? 2 
ATOM   2682 C CB   . HIS B 2 85  ? 8.567   24.187 -10.759 1.000 20.895  0 66  HIS BBB CB   1 ? 2 
ATOM   2683 C CG   . HIS B 2 85  ? 8.628   24.054 -12.246 1.000 21.242  0 66  HIS BBB CG   1 ? 2 
ATOM   2684 N ND1  . HIS B 2 85  ? 7.804   24.795 -13.085 1.000 26.309  0 66  HIS BBB ND1  1 ? 2 
ATOM   2685 C CD2  . HIS B 2 85  ? 9.298   23.197 -13.040 1.000 21.782  0 66  HIS BBB CD2  1 ? 2 
ATOM   2686 C CE1  . HIS B 2 85  ? 8.020   24.432 -14.344 1.000 22.923  0 66  HIS BBB CE1  1 ? 2 
ATOM   2687 N NE2  . HIS B 2 85  ? 8.951   23.484 -14.335 1.000 22.885  0 66  HIS BBB NE2  1 ? 2 
ATOM   2688 H H    . HIS B 2 85  ? 6.167   24.935 -10.286 1.000 20.751  0 66  HIS BBB H    1 c 2 
ATOM   2689 H HA   . HIS B 2 85  ? 7.362   22.511 -10.676 1.000 20.515  0 66  HIS BBB HA   1 c 2 
ATOM   2690 H HB2  . HIS B 2 85  ? 8.444   25.133 -10.522 1.000 20.654  0 66  HIS BBB HB2  1 c 2 
ATOM   2691 H HB3  . HIS B 2 85  ? 9.418   23.883 -10.373 1.000 20.891  0 66  HIS BBB HB3  1 c 2 
ATOM   2692 H HD1  . HIS B 2 85  ? 7.190   25.378 -12.824 0.000 28.040  0 66  HIS BBB HD1  1 c 2 
ATOM   2693 H HD2  . HIS B 2 85  ? 9.941   22.569 -12.767 1.000 22.138  0 66  HIS BBB HD2  1 c 2 
ATOM   2694 H HE1  . HIS B 2 85  ? 7.613   24.807 -15.102 1.000 23.694  0 66  HIS BBB HE1  1 c 2 
ATOM   2695 H HE2  . HIS B 2 85  ? 9.260   23.091 -15.058 0.000 22.390  0 66  HIS BBB HE2  1 c 2 
ATOM   2696 N N    . GLY B 2 86  ? 6.825   23.171 -7.774  1.000 18.155  0 67  GLY BBB N    1 ? 2 
ATOM   2697 C CA   . GLY B 2 86  ? 6.952   22.618 -6.414  1.000 18.794  0 67  GLY BBB CA   1 ? 2 
ATOM   2698 C C    . GLY B 2 86  ? 7.340   23.648 -5.376  1.000 18.594  0 67  GLY BBB C    1 ? 2 
ATOM   2699 O O    . GLY B 2 86  ? 7.654   23.274 -4.258  1.000 19.629  0 67  GLY BBB O    1 ? 2 
ATOM   2700 H H    . GLY B 2 86  ? 6.066   23.653 -7.900  1.000 18.523  0 67  GLY BBB H    1 c 2 
ATOM   2701 H HA2  . GLY B 2 86  ? 6.086   22.212 -6.156  1.000 18.677  0 67  GLY BBB HA2  1 c 2 
ATOM   2702 H HA3  . GLY B 2 86  ? 7.629   21.897 -6.422  1.000 18.824  0 67  GLY BBB HA3  1 c 2 
ATOM   2703 N N    . ALA B 2 87  ? 7.300   24.942 -5.678  1.000 18.090  0 68  ALA BBB N    1 ? 2 
ATOM   2704 C CA   . ALA B 2 87  ? 7.468   25.979 -4.642  1.000 18.496  0 68  ALA BBB CA   1 ? 2 
ATOM   2705 C C    . ALA B 2 87  ? 6.426   25.853 -3.519  1.000 19.475  0 68  ALA BBB C    1 ? 2 
ATOM   2706 O O    . ALA B 2 87  ? 5.248   25.547 -3.774  1.000 22.059  0 68  ALA BBB O    1 ? 2 
ATOM   2707 C CB   . ALA B 2 87  ? 7.398   27.348 -5.235  1.000 18.315  0 68  ALA BBB CB   1 ? 2 
ATOM   2708 H H    . ALA B 2 87  ? 7.173   25.281 -6.514  1.000 18.149  0 68  ALA BBB H    1 c 2 
ATOM   2709 H HA   . ALA B 2 87  ? 8.360   25.863 -4.242  1.000 18.751  0 68  ALA BBB HA   1 c 2 
ATOM   2710 H HB1  . ALA B 2 87  ? 7.564   28.011 -4.543  1.000 18.343  0 68  ALA BBB HB1  1 c 2 
ATOM   2711 H HB2  . ALA B 2 87  ? 8.069   27.435 -5.932  1.000 18.309  0 68  ALA BBB HB2  1 c 2 
ATOM   2712 H HB3  . ALA B 2 87  ? 6.516   27.493 -5.615  1.000 18.191  0 68  ALA BBB HB3  1 c 2 
ATOM   2713 N N    . GLU B 2 88  ? 6.859   26.129 -2.273  1.000 20.422  0 69  GLU BBB N    1 ? 2 
ATOM   2714 C CA   . GLU B 2 88  ? 5.993   26.015 -1.084  1.000 20.624  0 69  GLU BBB CA   1 ? 2 
ATOM   2715 C C    . GLU B 2 88  ? 5.477   27.409 -0.772  1.000 21.965  0 69  GLU BBB C    1 ? 2 
ATOM   2716 O O    . GLU B 2 88  ? 6.281   28.345 -0.573  1.000 23.743  0 69  GLU BBB O    1 ? 2 
ATOM   2717 C CB   . GLU B 2 88  ? 6.730   25.406 0.096   1.000 21.487  0 69  GLU BBB CB   1 ? 2 
ATOM   2718 C CG   . GLU B 2 88  ? 6.932   23.942 -0.062  1.000 23.101  0 69  GLU BBB CG   1 ? 2 
ATOM   2719 C CD   . GLU B 2 88  ? 5.671   23.080 -0.008  1.000 24.724  0 69  GLU BBB CD   1 ? 2 
ATOM   2720 O OE1  . GLU B 2 88  ? 4.597   23.566 0.446   1.000 23.414  0 69  GLU BBB OE1  1 ? 2 
ATOM   2721 O OE2  . GLU B 2 88  ? 5.782   21.903 -0.366  1.000 23.924  0 69  GLU BBB OE2  1 ? 2 
ATOM   2722 H H    . GLU B 2 88  ? 7.708   26.404 -2.092  1.000 20.335  0 69  GLU BBB H    1 c 2 
ATOM   2723 H HA   . GLU B 2 88  ? 5.233   25.437 -1.312  1.000 20.968  0 69  GLU BBB HA   1 c 2 
ATOM   2724 H HB2  . GLU B 2 88  ? 7.602   25.844 0.185   1.000 21.757  0 69  GLU BBB HB2  1 c 2 
ATOM   2725 H HB3  . GLU B 2 88  ? 6.220   25.576 0.913   1.000 21.818  0 69  GLU BBB HB3  1 c 2 
ATOM   2726 H HG2  . GLU B 2 88  ? 7.375   23.779 -0.922  1.000 23.002  0 69  GLU BBB HG2  1 c 2 
ATOM   2727 H HG3  . GLU B 2 88  ? 7.542   23.633 0.642   1.000 23.378  0 69  GLU BBB HG3  1 c 2 
ATOM   2728 N N    . PRO B 2 89  ? 4.130   27.582 -0.685  1.000 22.231  0 70  PRO BBB N    1 ? 2 
ATOM   2729 C CA   . PRO B 2 89  ? 3.568   28.919 -0.495  1.000 21.620  0 70  PRO BBB CA   1 ? 2 
ATOM   2730 C C    . PRO B 2 89  ? 3.771   29.509 0.911   1.000 22.842  0 70  PRO BBB C    1 ? 2 
ATOM   2731 O O    . PRO B 2 89  ? 3.590   30.709 1.099   1.000 22.800  0 70  PRO BBB O    1 ? 2 
ATOM   2732 C CB   . PRO B 2 89  ? 2.079   28.731 -0.851  1.000 21.167  0 70  PRO BBB CB   1 ? 2 
ATOM   2733 C CG   . PRO B 2 89  ? 1.783   27.263 -0.643  1.000 22.466  0 70  PRO BBB CG   1 ? 2 
ATOM   2734 C CD   . PRO B 2 89  ? 3.111   26.523 -0.797  1.000 21.803  0 70  PRO BBB CD   1 ? 2 
ATOM   2735 H HA   . PRO B 2 89  ? 3.974   29.528 -1.162  1.000 21.697  0 70  PRO BBB HA   1 c 2 
ATOM   2736 H HB2  . PRO B 2 89  ? 1.512   29.282 -0.270  1.000 21.571  0 70  PRO BBB HB2  1 c 2 
ATOM   2737 H HB3  . PRO B 2 89  ? 1.912   28.986 -1.783  1.000 21.344  0 70  PRO BBB HB3  1 c 2 
ATOM   2738 H HG2  . PRO B 2 89  ? 1.410   27.112 0.250   1.000 22.192  0 70  PRO BBB HG2  1 c 2 
ATOM   2739 H HG3  . PRO B 2 89  ? 1.137   26.947 -1.307  1.000 21.932  0 70  PRO BBB HG3  1 c 2 
ATOM   2740 H HD2  . PRO B 2 89  ? 3.223   25.855 -0.097  1.000 22.292  0 70  PRO BBB HD2  1 c 2 
ATOM   2741 H HD3  . PRO B 2 89  ? 3.162   26.082 -1.665  1.000 21.983  0 70  PRO BBB HD3  1 c 2 
ATOM   2742 N N    . ASN B 2 90  ? 4.020   28.686 1.914   1.000 21.680  0 71  ASN BBB N    1 ? 2 
ATOM   2743 C CA   . ASN B 2 90  ? 3.946   29.155 3.325   1.000 24.896  0 71  ASN BBB CA   1 ? 2 
ATOM   2744 C C    . ASN B 2 90  ? 5.302   29.542 3.931   1.000 27.776  0 71  ASN BBB C    1 ? 2 
ATOM   2745 O O    . ASN B 2 90  ? 5.396   29.623 5.103   1.000 31.995  0 71  ASN BBB O    1 ? 2 
ATOM   2746 C CB   . ASN B 2 90  ? 3.236   28.145 4.220   1.000 22.833  0 71  ASN BBB CB   1 ? 2 
ATOM   2747 C CG   . ASN B 2 90  ? 1.756   28.107 3.919   1.000 21.767  0 71  ASN BBB CG   1 ? 2 
ATOM   2748 O OD1  . ASN B 2 90  ? 1.110   29.128 4.036   1.000 23.692  0 71  ASN BBB OD1  1 ? 2 
ATOM   2749 N ND2  . ASN B 2 90  ? 1.211   26.947 3.593   1.000 21.115  0 71  ASN BBB ND2  1 ? 2 
ATOM   2750 H H    . ASN B 2 90  ? 4.242   27.809 1.811   1.000 22.724  0 71  ASN BBB H    1 c 2 
ATOM   2751 H HA   . ASN B 2 90  ? 3.389   29.967 3.329   1.000 24.218  0 71  ASN BBB HA   1 c 2 
ATOM   2752 H HB2  . ASN B 2 90  ? 3.623   27.260 4.077   1.000 23.213  0 71  ASN BBB HB2  1 c 2 
ATOM   2753 H HB3  . ASN B 2 90  ? 3.367   28.391 5.158   1.000 23.446  0 71  ASN BBB HB3  1 c 2 
ATOM   2754 H HD21 . ASN B 2 90  ? 0.345   26.814 3.716   1.000 21.383  0 71  ASN BBB HD21 1 c 2 
ATOM   2755 H HD22 . ASN B 2 90  ? 1.712   26.303 3.249   1.000 21.320  0 71  ASN BBB HD22 1 c 2 
ATOM   2756 N N    A CYS B 2 91  ? 6.359   29.689 3.157   0.500 31.032  0 72  CYS BBB N    1 ? 2 
ATOM   2757 N N    B CYS B 2 91  ? 6.293   29.823 3.100   0.500 29.518  0 72  CYS BBB N    1 ? 2 
ATOM   2758 C CA   A CYS B 2 91  ? 7.699   29.990 3.725   0.500 32.843  0 72  CYS BBB CA   1 ? 2 
ATOM   2759 C CA   B CYS B 2 91  ? 7.680   30.162 3.515   0.500 30.448  0 72  CYS BBB CA   1 ? 2 
ATOM   2760 C C    A CYS B 2 91  ? 7.694   31.436 4.219   0.500 31.950  0 72  CYS BBB C    1 ? 2 
ATOM   2761 C C    B CYS B 2 91  ? 7.626   31.515 4.232   0.500 30.766  0 72  CYS BBB C    1 ? 2 
ATOM   2762 O O    A CYS B 2 91  ? 7.200   32.317 3.483   0.500 34.406  0 72  CYS BBB O    1 ? 2 
ATOM   2763 O O    B CYS B 2 91  ? 6.945   32.423 3.701   0.500 33.118  0 72  CYS BBB O    1 ? 2 
ATOM   2764 C CB   A CYS B 2 91  ? 8.795   29.768 2.700   0.500 34.996  0 72  CYS BBB CB   1 ? 2 
ATOM   2765 C CB   B CYS B 2 91  ? 8.611   30.146 2.305   0.500 30.452  0 72  CYS BBB CB   1 ? 2 
ATOM   2766 S SG   A CYS B 2 91  ? 8.317   30.506 1.131   0.500 39.202  0 72  CYS BBB SG   1 ? 2 
ATOM   2767 S SG   B CYS B 2 91  ? 8.969   28.470 1.690   0.500 31.915  0 72  CYS BBB SG   1 ? 2 
ATOM   2768 H H    A CYS B 2 91  ? 6.356   29.625 2.249   0.500 30.242  0 72  CYS BBB H    1 c 2 
ATOM   2769 H H    B CYS B 2 91  ? 6.196   29.834 2.196   0.500 28.915  0 72  CYS BBB H    1 c 2 
ATOM   2770 H HA   A CYS B 2 91  ? 7.855   29.389 4.489   0.500 33.052  0 72  CYS BBB HA   1 c 2 
ATOM   2771 H HA   B CYS B 2 91  ? 7.985   29.477 4.154   0.500 30.667  0 72  CYS BBB HA   1 c 2 
ATOM   2772 H HB2  A CYS B 2 91  ? 9.628   30.177 3.010   0.500 35.687  0 72  CYS BBB HB2  1 c 2 
ATOM   2773 H HB2  B CYS B 2 91  ? 8.204   30.663 1.580   0.500 30.476  0 72  CYS BBB HB2  1 c 2 
ATOM   2774 H HB3  A CYS B 2 91  ? 8.944   28.808 2.575   0.500 35.516  0 72  CYS BBB HB3  1 c 2 
ATOM   2775 H HB3  B CYS B 2 91  ? 9.457   30.577 2.545   0.500 30.930  0 72  CYS BBB HB3  1 c 2 
ATOM   2776 H HG   A CYS B 2 91  ? 9.303   30.224 0.450   0.000 41.000  0 72  CYS BBB HG   1 c 2 
ATOM   2777 H HG   B CYS B 2 91  ? 9.713   28.779 0.811   0.000 31.980  0 72  CYS BBB HG   1 c 2 
ATOM   2778 N N    . ALA B 2 92  ? 8.216   31.645 5.422   1.000 31.308  0 73  ALA BBB N    1 ? 2 
ATOM   2779 C CA   . ALA B 2 92  ? 8.171   32.909 6.181   1.000 32.361  0 73  ALA BBB CA   1 ? 2 
ATOM   2780 C C    . ALA B 2 92  ? 9.523   33.643 6.084   1.000 33.330  0 73  ALA BBB C    1 ? 2 
ATOM   2781 O O    . ALA B 2 92  ? 10.553  32.971 6.023   1.000 32.529  0 73  ALA BBB O    1 ? 2 
ATOM   2782 C CB   . ALA B 2 92  ? 7.770   32.583 7.594   1.000 34.347  0 73  ALA BBB CB   1 ? 2 
ATOM   2783 H H    . ALA B 2 92  ? 8.668   30.979 5.848   1.000 31.909  0 73  ALA BBB H    1 c 2 
ATOM   2784 H HA   . ALA B 2 92  ? 7.477   33.489 5.787   1.000 32.402  0 73  ALA BBB HA   1 c 2 
ATOM   2785 H HB1  . ALA B 2 92  ? 7.714   33.402 8.114   1.000 34.082  0 73  ALA BBB HB1  1 c 2 
ATOM   2786 H HB2  . ALA B 2 92  ? 6.904   32.142 7.593   1.000 33.744  0 73  ALA BBB HB2  1 c 2 
ATOM   2787 H HB3  . ALA B 2 92  ? 8.432   31.993 7.992   1.000 34.148  0 73  ALA BBB HB3  1 c 2 
ATOM   2788 N N    . ASP B 2 93  ? 9.502   34.974 6.033   1.000 36.098  0 74  ASP BBB N    1 ? 2 
ATOM   2789 C CA   . ASP B 2 93  ? 10.728  35.800 6.099   1.000 39.623  0 74  ASP BBB CA   1 ? 2 
ATOM   2790 C C    . ASP B 2 93  ? 11.390  35.514 7.448   1.000 45.563  0 74  ASP BBB C    1 ? 2 
ATOM   2791 O O    . ASP B 2 93  ? 10.744  35.685 8.490   1.000 38.388  0 74  ASP BBB O    1 ? 2 
ATOM   2792 C CB   . ASP B 2 93  ? 10.450  37.292 5.943   1.000 40.375  0 74  ASP BBB CB   1 ? 2 
ATOM   2793 C CG   . ASP B 2 93  ? 11.737  38.078 5.768   1.000 41.388  0 74  ASP BBB CG   1 ? 2 
ATOM   2794 O OD1  . ASP B 2 93  ? 12.452  38.333 6.768   1.000 47.534  0 74  ASP BBB OD1  1 ? 2 
ATOM   2795 O OD2  . ASP B 2 93  ? 12.053  38.357 4.643   1.000 38.161  0 74  ASP BBB OD2  1 ? 2 
ATOM   2796 H H    . ASP B 2 93  ? 8.732   35.454 5.954   1.000 35.996  0 74  ASP BBB H    1 c 2 
ATOM   2797 H HA   . ASP B 2 93  ? 11.330  35.517 5.375   1.000 39.964  0 74  ASP BBB HA   1 c 2 
ATOM   2798 H HB2  . ASP B 2 93  ? 9.876   37.440 5.163   1.000 39.976  0 74  ASP BBB HB2  1 c 2 
ATOM   2799 H HB3  . ASP B 2 93  ? 9.983   37.618 6.738   1.000 40.584  0 74  ASP BBB HB3  1 c 2 
ATOM   2800 N N    . PRO B 2 94  ? 12.676  35.048 7.438   1.000 51.888  0 75  PRO BBB N    1 ? 2 
ATOM   2801 C CA   . PRO B 2 94  ? 13.333  34.549 8.653   1.000 53.588  0 75  PRO BBB CA   1 ? 2 
ATOM   2802 C C    . PRO B 2 94  ? 13.454  35.624 9.753   1.000 53.943  0 75  PRO BBB C    1 ? 2 
ATOM   2803 O O    . PRO B 2 94  ? 13.595  35.226 10.855  1.000 55.932  0 75  PRO BBB O    1 ? 2 
ATOM   2804 C CB   . PRO B 2 94  ? 14.732  34.081 8.193   1.000 57.757  0 75  PRO BBB CB   1 ? 2 
ATOM   2805 C CG   . PRO B 2 94  ? 14.950  34.751 6.803   1.000 56.175  0 75  PRO BBB CG   1 ? 2 
ATOM   2806 C CD   . PRO B 2 94  ? 13.562  35.010 6.245   1.000 52.516  0 75  PRO BBB CD   1 ? 2 
ATOM   2807 H HA   . PRO B 2 94  ? 12.827  33.772 8.998   1.000 54.084  0 75  PRO BBB HA   1 c 2 
ATOM   2808 H HB2  . PRO B 2 94  ? 15.423  34.366 8.828   1.000 57.036  0 75  PRO BBB HB2  1 c 2 
ATOM   2809 H HB3  . PRO B 2 94  ? 14.763  33.103 8.114   1.000 56.485  0 75  PRO BBB HB3  1 c 2 
ATOM   2810 H HG2  . PRO B 2 94  ? 15.444  35.591 6.900   1.000 55.919  0 75  PRO BBB HG2  1 c 2 
ATOM   2811 H HG3  . PRO B 2 94  ? 15.455  34.158 6.209   1.000 55.566  0 75  PRO BBB HG3  1 c 2 
ATOM   2812 H HD2  . PRO B 2 94  ? 13.535  35.859 5.765   1.000 52.785  0 75  PRO BBB HD2  1 c 2 
ATOM   2813 H HD3  . PRO B 2 94  ? 13.293  34.297 5.636   1.000 52.630  0 75  PRO BBB HD3  1 c 2 
ATOM   2814 N N    . ALA B 2 95  ? 13.308  36.918 9.434   1.000 51.925  0 76  ALA BBB N    1 ? 2 
ATOM   2815 C CA   . ALA B 2 95  ? 13.255  38.069 10.377  1.000 54.183  0 76  ALA BBB CA   1 ? 2 
ATOM   2816 C C    . ALA B 2 95  ? 11.807  38.524 10.672  1.000 58.035  0 76  ALA BBB C    1 ? 2 
ATOM   2817 O O    . ALA B 2 95  ? 11.375  38.431 11.857  1.000 62.828  0 76  ALA BBB O    1 ? 2 
ATOM   2818 C CB   . ALA B 2 95  ? 14.051  39.207 9.775   1.000 52.673  0 76  ALA BBB CB   1 ? 2 
ATOM   2819 H H    . ALA B 2 95  ? 13.243  37.197 8.570   1.000 52.373  0 76  ALA BBB H    1 c 2 
ATOM   2820 H HA   . ALA B 2 95  ? 13.678  37.799 11.226  1.000 54.809  0 76  ALA BBB HA   1 c 2 
ATOM   2821 H HB1  . ALA B 2 95  ? 14.020  39.975 10.369  1.000 53.534  0 76  ALA BBB HB1  1 c 2 
ATOM   2822 H HB2  . ALA B 2 95  ? 14.975  38.929 9.653   1.000 53.339  0 76  ALA BBB HB2  1 c 2 
ATOM   2823 H HB3  . ALA B 2 95  ? 13.672  39.451 8.913   1.000 52.683  0 76  ALA BBB HB3  1 c 2 
ATOM   2824 N N    . THR B 2 96  ? 11.095  39.029 9.640   1.000 56.066  0 77  THR BBB N    1 ? 2 
ATOM   2825 C CA   . THR B 2 96  ? 9.762   39.707 9.714   1.000 49.998  0 77  THR BBB CA   1 ? 2 
ATOM   2826 C C    . THR B 2 96  ? 8.634   38.683 9.885   1.000 45.964  0 77  THR BBB C    1 ? 2 
ATOM   2827 O O    . THR B 2 96  ? 7.557   39.123 10.277  1.000 42.521  0 77  THR BBB O    1 ? 2 
ATOM   2828 C CB   . THR B 2 96  ? 9.477   40.607 8.499   1.000 51.335  0 77  THR BBB CB   1 ? 2 
ATOM   2829 O OG1  . THR B 2 96  ? 9.361   39.916 7.251   1.000 47.658  0 77  THR BBB OG1  1 ? 2 
ATOM   2830 C CG2  . THR B 2 96  ? 10.546  41.653 8.294   1.000 52.949  0 77  THR BBB CG2  1 ? 2 
ATOM   2831 H H    . THR B 2 96  ? 11.394  38.973 8.782   1.000 54.571  0 77  THR BBB H    1 c 2 
ATOM   2832 H HA   . THR B 2 96  ? 9.771   40.279 10.516  1.000 51.094  0 77  THR BBB HA   1 c 2 
ATOM   2833 H HB   . THR B 2 96  ? 8.624   41.073 8.671   1.000 50.602  0 77  THR BBB HB   1 c 2 
ATOM   2834 H HG1  . THR B 2 96  ? 9.198   40.476 6.701   0.000 49.380  0 77  THR BBB HG1  1 c 2 
ATOM   2835 H HG21 . THR B 2 96  ? 10.669  42.159 9.118   1.000 53.016  0 77  THR BBB HG21 1 c 2 
ATOM   2836 H HG22 . THR B 2 96  ? 10.278  42.258 7.580   1.000 52.290  0 77  THR BBB HG22 1 c 2 
ATOM   2837 H HG23 . THR B 2 96  ? 11.385  41.220 8.053   1.000 52.582  0 77  THR BBB HG23 1 c 2 
ATOM   2838 N N    . LEU B 2 97  ? 8.857   37.386 9.574   1.000 43.318  0 78  LEU BBB N    1 ? 2 
ATOM   2839 C CA   . LEU B 2 97  ? 7.796   36.332 9.514   1.000 40.702  0 78  LEU BBB CA   1 ? 2 
ATOM   2840 C C    . LEU B 2 97  ? 6.682   36.754 8.539   1.000 33.334  0 78  LEU BBB C    1 ? 2 
ATOM   2841 O O    . LEU B 2 97  ? 5.510   36.354 8.729   1.000 32.215  0 78  LEU BBB O    1 ? 2 
ATOM   2842 C CB   . LEU B 2 97  ? 7.161   36.134 10.893  1.000 42.808  0 78  LEU BBB CB   1 ? 2 
ATOM   2843 C CG   . LEU B 2 97  ? 8.110   35.946 12.081  1.000 47.424  0 78  LEU BBB CG   1 ? 2 
ATOM   2844 C CD1  . LEU B 2 97  ? 7.322   36.114 13.389  1.000 48.522  0 78  LEU BBB CD1  1 ? 2 
ATOM   2845 C CD2  . LEU B 2 97  ? 8.780   34.589 12.009  1.000 47.142  0 78  LEU BBB CD2  1 ? 2 
ATOM   2846 H H    . LEU B 2 97  ? 9.686   37.069 9.374   1.000 43.414  0 78  LEU BBB H    1 c 2 
ATOM   2847 H HA   . LEU B 2 97  ? 8.198   35.488 9.204   1.000 39.873  0 78  LEU BBB HA   1 c 2 
ATOM   2848 H HB2  . LEU B 2 97  ? 6.591   36.907 11.077  1.000 43.307  0 78  LEU BBB HB2  1 c 2 
ATOM   2849 H HB3  . LEU B 2 97  ? 6.579   35.350 10.846  1.000 43.112  0 78  LEU BBB HB3  1 c 2 
ATOM   2850 H HG   . LEU B 2 97  ? 8.808   36.645 12.043  1.000 46.861  0 78  LEU BBB HG   1 c 2 
ATOM   2851 H HD11 . LEU B 2 97  ? 6.752   36.898 13.327  1.000 48.247  0 78  LEU BBB HD11 1 c 2 
ATOM   2852 H HD12 . LEU B 2 97  ? 7.943   36.222 14.131  1.000 48.886  0 78  LEU BBB HD12 1 c 2 
ATOM   2853 H HD13 . LEU B 2 97  ? 6.772   35.326 13.540  1.000 48.298  0 78  LEU BBB HD13 1 c 2 
ATOM   2854 H HD21 . LEU B 2 97  ? 8.101   33.891 11.994  1.000 47.086  0 78  LEU BBB HD21 1 c 2 
ATOM   2855 H HD22 . LEU B 2 97  ? 9.352   34.467 12.786  1.000 47.765  0 78  LEU BBB HD22 1 c 2 
ATOM   2856 H HD23 . LEU B 2 97  ? 9.318   34.534 11.200  1.000 46.938  0 78  LEU BBB HD23 1 c 2 
ATOM   2857 N N    . THR B 2 98  ? 6.993   37.618 7.592   1.000 28.524  0 79  THR BBB N    1 ? 2 
ATOM   2858 C CA   . THR B 2 98  ? 6.052   37.904 6.504   1.000 28.385  0 79  THR BBB CA   1 ? 2 
ATOM   2859 C C    . THR B 2 98  ? 6.036   36.679 5.599   1.000 24.035  0 79  THR BBB C    1 ? 2 
ATOM   2860 O O    . THR B 2 98  ? 7.094   36.172 5.270   1.000 24.293  0 79  THR BBB O    1 ? 2 
ATOM   2861 C CB   . THR B 2 98  ? 6.450   39.183 5.789   1.000 30.765  0 79  THR BBB CB   1 ? 2 
ATOM   2862 O OG1  . THR B 2 98  ? 6.703   40.117 6.840   1.000 35.609  0 79  THR BBB OG1  1 ? 2 
ATOM   2863 C CG2  . THR B 2 98  ? 5.344   39.672 4.888   1.000 31.138  0 79  THR BBB CG2  1 ? 2 
ATOM   2864 H H    . THR B 2 98  ? 7.784   38.061 7.519   1.000 29.841  0 79  THR BBB H    1 c 2 
ATOM   2865 H HA   . THR B 2 98  ? 5.155   38.025 6.894   1.000 27.975  0 79  THR BBB HA   1 c 2 
ATOM   2866 H HB   . THR B 2 98  ? 7.272   39.028 5.266   1.000 31.110  0 79  THR BBB HB   1 c 2 
ATOM   2867 H HG1  . THR B 2 98  ? 6.929   40.873 6.492   0.000 36.510  0 79  THR BBB HG1  1 c 2 
ATOM   2868 H HG21 . THR B 2 98  ? 5.123   38.981 4.239   1.000 30.522  0 79  THR BBB HG21 1 c 2 
ATOM   2869 H HG22 . THR B 2 98  ? 5.636   40.474 4.420   1.000 30.863  0 79  THR BBB HG22 1 c 2 
ATOM   2870 H HG23 . THR B 2 98  ? 4.558   39.879 5.424   1.000 30.938  0 79  THR BBB HG23 1 c 2 
ATOM   2871 N N    . ARG B 2 99  ? 4.860   36.239 5.222   1.000 24.207  0 80  ARG BBB N    1 ? 2 
ATOM   2872 C CA   . ARG B 2 99  ? 4.626   35.208 4.180   1.000 23.201  0 80  ARG BBB CA   1 ? 2 
ATOM   2873 C C    . ARG B 2 99  ? 4.236   35.884 2.858   1.000 20.856  0 80  ARG BBB C    1 ? 2 
ATOM   2874 O O    . ARG B 2 99  ? 3.879   37.047 2.828   1.000 19.764  0 80  ARG BBB O    1 ? 2 
ATOM   2875 C CB   . ARG B 2 99  ? 3.477   34.285 4.516   1.000 24.254  0 80  ARG BBB CB   1 ? 2 
ATOM   2876 C CG   . ARG B 2 99  ? 3.848   33.127 5.413   1.000 29.486  0 80  ARG BBB CG   1 ? 2 
ATOM   2877 C CD   . ARG B 2 99  ? 4.083   33.648 6.771   1.000 33.058  0 80  ARG BBB CD   1 ? 2 
ATOM   2878 N NE   . ARG B 2 99  ? 3.976   32.598 7.744   1.000 38.975  0 80  ARG BBB NE   1 ? 2 
ATOM   2879 C CZ   . ARG B 2 99  ? 3.951   32.841 9.057   1.000 43.153  0 80  ARG BBB CZ   1 ? 2 
ATOM   2880 N NH1  . ARG B 2 99  ? 4.031   34.088 9.540   1.000 39.940  0 80  ARG BBB NH1  1 ? 2 
ATOM   2881 N NH2  . ARG B 2 99  ? 3.825   31.803 9.868   1.000 47.001  0 80  ARG BBB NH2  1 ? 2 
ATOM   2882 H H    . ARG B 2 99  ? 4.105   36.555 5.577   1.000 24.036  0 80  ARG BBB H    1 c 2 
ATOM   2883 H HA   . ARG B 2 99  ? 5.447   34.682 4.056   1.000 23.152  0 80  ARG BBB HA   1 c 2 
ATOM   2884 H HB2  . ARG B 2 99  ? 2.771   34.807 4.949   1.000 25.165  0 80  ARG BBB HB2  1 c 2 
ATOM   2885 H HB3  . ARG B 2 99  ? 3.109   33.926 3.684   1.000 24.737  0 80  ARG BBB HB3  1 c 2 
ATOM   2886 H HG2  . ARG B 2 99  ? 3.120   32.469 5.430   1.000 28.870  0 80  ARG BBB HG2  1 c 2 
ATOM   2887 H HG3  . ARG B 2 99  ? 4.661   32.690 5.080   1.000 28.851  0 80  ARG BBB HG3  1 c 2 
ATOM   2888 H HD2  . ARG B 2 99  ? 4.977   34.048 6.819   1.000 33.594  0 80  ARG BBB HD2  1 c 2 
ATOM   2889 H HD3  . ARG B 2 99  ? 3.424   34.347 6.972   1.000 33.511  0 80  ARG BBB HD3  1 c 2 
ATOM   2890 H HE   . ARG B 2 99  ? 3.911   31.772 7.469   1.000 38.447  0 80  ARG BBB HE   1 c 2 
ATOM   2891 H HH11 . ARG B 2 99  ? 4.108   34.772 8.995   1.000 40.774  0 80  ARG BBB HH11 1 c 2 
ATOM   2892 H HH12 . ARG B 2 99  ? 4.013   34.220 10.409  1.000 41.383  0 80  ARG BBB HH12 1 c 2 
ATOM   2893 H HH21 . ARG B 2 99  ? 3.775   30.988 9.537   1.000 45.201  0 80  ARG BBB HH21 1 c 2 
ATOM   2894 H HH22 . ARG B 2 99  ? 3.812   31.928 10.740  1.000 45.714  0 80  ARG BBB HH22 1 c 2 
ATOM   2895 N N    . PRO B 2 100 ? 4.349   35.149 1.731   1.000 20.610  0 81  PRO BBB N    1 ? 2 
ATOM   2896 C CA   . PRO B 2 100 ? 3.930   35.618 0.410   1.000 19.701  0 81  PRO BBB CA   1 ? 2 
ATOM   2897 C C    . PRO B 2 100 ? 2.531   36.222 0.400   1.000 17.743  0 81  PRO BBB C    1 ? 2 
ATOM   2898 O O    . PRO B 2 100 ? 2.385   37.268 -0.149  1.000 17.413  0 81  PRO BBB O    1 ? 2 
ATOM   2899 C CB   . PRO B 2 100 ? 4.014   34.343 -0.428  1.000 20.093  0 81  PRO BBB CB   1 ? 2 
ATOM   2900 C CG   . PRO B 2 100 ? 5.210   33.646 0.187   1.000 20.738  0 81  PRO BBB CG   1 ? 2 
ATOM   2901 C CD   . PRO B 2 100 ? 5.024   33.841 1.659   1.000 20.325  0 81  PRO BBB CD   1 ? 2 
ATOM   2902 H HA   . PRO B 2 100 ? 4.587   36.277 0.072   1.000 19.563  0 81  PRO BBB HA   1 c 2 
ATOM   2903 H HB2  . PRO B 2 100 ? 3.201   33.801 -0.339  1.000 20.007  0 81  PRO BBB HB2  1 c 2 
ATOM   2904 H HB3  . PRO B 2 100 ? 4.168   34.546 -1.376  1.000 19.903  0 81  PRO BBB HB3  1 c 2 
ATOM   2905 H HG2  . PRO B 2 100 ? 5.217   32.694 -0.041  1.000 20.404  0 81  PRO BBB HG2  1 c 2 
ATOM   2906 H HG3  . PRO B 2 100 ? 6.047   34.053 -0.116  1.000 20.484  0 81  PRO BBB HG3  1 c 2 
ATOM   2907 H HD2  . PRO B 2 100 ? 4.474   33.135 2.045   1.000 20.622  0 81  PRO BBB HD2  1 c 2 
ATOM   2908 H HD3  . PRO B 2 100 ? 5.883   33.867 2.117   1.000 20.817  0 81  PRO BBB HD3  1 c 2 
ATOM   2909 N N    . VAL B 2 101 ? 1.587   35.624 1.105   1.000 18.132  0 82  VAL BBB N    1 ? 2 
ATOM   2910 C CA   . VAL B 2 101 ? 0.193   36.141 1.184   1.000 19.643  0 82  VAL BBB CA   1 ? 2 
ATOM   2911 C C    . VAL B 2 101 ? 0.108   37.495 1.912   1.000 20.073  0 82  VAL BBB C    1 ? 2 
ATOM   2912 O O    . VAL B 2 101 ? -0.690  38.326 1.477   1.000 20.689  0 82  VAL BBB O    1 ? 2 
ATOM   2913 C CB   . VAL B 2 101 ? -0.806  35.186 1.850   1.000 22.335  0 82  VAL BBB CB   1 ? 2 
ATOM   2914 C CG1  . VAL B 2 101 ? -1.035  34.026 0.969   1.000 24.459  0 82  VAL BBB CG1  1 ? 2 
ATOM   2915 C CG2  . VAL B 2 101 ? -0.406  34.833 3.276   1.000 22.876  0 82  VAL BBB CG2  1 ? 2 
ATOM   2916 H H    . VAL B 2 101 ? 1.726   34.853 1.566   1.000 18.506  0 82  VAL BBB H    1 c 2 
ATOM   2917 H HA   . VAL B 2 101 ? -0.110  36.286 0.269   1.000 19.676  0 82  VAL BBB HA   1 c 2 
ATOM   2918 H HB   . VAL B 2 101 ? -1.665  35.673 1.908   1.000 22.300  0 82  VAL BBB HB   1 c 2 
ATOM   2919 H HG11 . VAL B 2 101 ? -1.448  34.324 0.140   1.000 23.546  0 82  VAL BBB HG11 1 c 2 
ATOM   2920 H HG12 . VAL B 2 101 ? -1.626  33.394 1.415   1.000 23.774  0 82  VAL BBB HG12 1 c 2 
ATOM   2921 H HG13 . VAL B 2 101 ? -0.187  33.595 0.771   1.000 23.619  0 82  VAL BBB HG13 1 c 2 
ATOM   2922 H HG21 . VAL B 2 101 ? 0.465   34.402 3.275   1.000 22.789  0 82  VAL BBB HG21 1 c 2 
ATOM   2923 H HG22 . VAL B 2 101 ? -1.065  34.227 3.656   1.000 22.890  0 82  VAL BBB HG22 1 c 2 
ATOM   2924 H HG23 . VAL B 2 101 ? -0.365  35.642 3.815   1.000 22.968  0 82  VAL BBB HG23 1 c 2 
ATOM   2925 N N    . HIS B 2 102 ? 0.973   37.761 2.900   1.000 21.069  0 83  HIS BBB N    1 ? 2 
ATOM   2926 C CA   . HIS B 2 102 ? 1.029   39.088 3.534   1.000 21.628  0 83  HIS BBB CA   1 ? 2 
ATOM   2927 C C    . HIS B 2 102 ? 1.400   40.080 2.439   1.000 21.370  0 83  HIS BBB C    1 ? 2 
ATOM   2928 O O    . HIS B 2 102 ? 0.806   41.145 2.370   1.000 20.887  0 83  HIS BBB O    1 ? 2 
ATOM   2929 C CB   . HIS B 2 102 ? 2.082   39.132 4.641   1.000 23.434  0 83  HIS BBB CB   1 ? 2 
ATOM   2930 C CG   . HIS B 2 102 ? 1.773   38.396 5.903   1.000 24.996  0 83  HIS BBB CG   1 ? 2 
ATOM   2931 N ND1  . HIS B 2 102 ? 0.916   38.875 6.900   1.000 26.835  0 83  HIS BBB ND1  1 ? 2 
ATOM   2932 C CD2  . HIS B 2 102 ? 2.328   37.285 6.393   1.000 23.219  0 83  HIS BBB CD2  1 ? 2 
ATOM   2933 C CE1  . HIS B 2 102 ? 0.910   37.998 7.862   1.000 25.382  0 83  HIS BBB CE1  1 ? 2 
ATOM   2934 N NE2  . HIS B 2 102 ? 1.766   37.047 7.593   1.000 27.494  0 83  HIS BBB NE2  1 ? 2 
ATOM   2935 H H    . HIS B 2 102 ? 1.566   37.163 3.247   1.000 21.039  0 83  HIS BBB H    1 c 2 
ATOM   2936 H HA   . HIS B 2 102 ? 0.141   39.315 3.897   1.000 21.911  0 83  HIS BBB HA   1 c 2 
ATOM   2937 H HB2  . HIS B 2 102 ? 2.918   38.771 4.277   1.000 23.318  0 83  HIS BBB HB2  1 c 2 
ATOM   2938 H HB3  . HIS B 2 102 ? 2.249   40.073 4.869   1.000 23.572  0 83  HIS BBB HB3  1 c 2 
ATOM   2939 H HD1  . HIS B 2 102 ? 0.454   39.615 6.789   0.000 27.260  0 83  HIS BBB HD1  1 c 2 
ATOM   2940 H HD2  . HIS B 2 102 ? 2.942   36.734 5.959   1.000 24.414  0 83  HIS BBB HD2  1 c 2 
ATOM   2941 H HE1  . HIS B 2 102 ? 0.403   38.063 8.649   1.000 26.516  0 83  HIS BBB HE1  1 c 2 
ATOM   2942 H HE2  . HIS B 2 102 ? 1.900   36.362 8.118   0.000 27.870  0 83  HIS BBB HE2  1 c 2 
ATOM   2943 N N    . ASP B 2 103 ? 2.435   39.807 1.638   1.000 21.538  0 84  ASP BBB N    1 ? 2 
ATOM   2944 C CA   . ASP B 2 103 ? 2.940   40.825 0.673   1.000 21.286  0 84  ASP BBB CA   1 ? 2 
ATOM   2945 C C    . ASP B 2 103 ? 1.945   41.002 -0.455  1.000 19.500  0 84  ASP BBB C    1 ? 2 
ATOM   2946 O O    . ASP B 2 103 ? 1.766   42.160 -0.925  1.000 20.296  0 84  ASP BBB O    1 ? 2 
ATOM   2947 C CB   . ASP B 2 103 ? 4.338   40.486 0.213   1.000 22.573  0 84  ASP BBB CB   1 ? 2 
ATOM   2948 C CG   . ASP B 2 103 ? 5.344   40.736 1.329   1.000 26.847  0 84  ASP BBB CG   1 ? 2 
ATOM   2949 O OD1  . ASP B 2 103 ? 5.237   41.900 2.022   1.000 27.710  0 84  ASP BBB OD1  1 ? 2 
ATOM   2950 O OD2  . ASP B 2 103 ? 6.149   39.779 1.621   1.000 25.381  0 84  ASP BBB OD2  1 ? 2 
ATOM   2951 H H    . ASP B 2 103 ? 2.880   39.013 1.636   1.000 21.358  0 84  ASP BBB H    1 c 2 
ATOM   2952 H HA   . ASP B 2 103 ? 2.993   41.684 1.153   1.000 21.504  0 84  ASP BBB HA   1 c 2 
ATOM   2953 H HB2  . ASP B 2 103 ? 4.381   39.545 -0.053  1.000 22.930  0 84  ASP BBB HB2  1 c 2 
ATOM   2954 H HB3  . ASP B 2 103 ? 4.575   41.041 -0.558  1.000 23.039  0 84  ASP BBB HB3  1 c 2 
ATOM   2955 N N    . ALA B 2 104 ? 1.349   39.902 -0.926  1.000 19.429  0 85  ALA BBB N    1 ? 2 
ATOM   2956 C CA   . ALA B 2 104 ? 0.307   39.925 -1.988  1.000 19.585  0 85  ALA BBB CA   1 ? 2 
ATOM   2957 C C    . ALA B 2 104 ? -0.868  40.813 -1.534  1.000 18.076  0 85  ALA BBB C    1 ? 2 
ATOM   2958 O O    . ALA B 2 104 ? -1.351  41.633 -2.378  1.000 18.670  0 85  ALA BBB O    1 ? 2 
ATOM   2959 C CB   . ALA B 2 104 ? -0.129  38.530 -2.397  1.000 18.486  0 85  ALA BBB CB   1 ? 2 
ATOM   2960 H H    . ALA B 2 104 ? 1.540   39.059 -0.638  1.000 19.426  0 85  ALA BBB H    1 c 2 
ATOM   2961 H HA   . ALA B 2 104 ? 0.708   40.354 -2.780  1.000 18.977  0 85  ALA BBB HA   1 c 2 
ATOM   2962 H HB1  . ALA B 2 104 ? -0.808  38.592 -3.090  1.000 18.698  0 85  ALA BBB HB1  1 c 2 
ATOM   2963 H HB2  . ALA B 2 104 ? 0.636   38.037 -2.739  1.000 18.674  0 85  ALA BBB HB2  1 c 2 
ATOM   2964 H HB3  . ALA B 2 104 ? -0.495  38.065 -1.627  1.000 18.818  0 85  ALA BBB HB3  1 c 2 
ATOM   2965 N N    . ALA B 2 105 ? -1.288  40.659 -0.283  1.000 20.563  0 86  ALA BBB N    1 ? 2 
ATOM   2966 C CA   . ALA B 2 105 ? -2.399  41.421 0.363   1.000 20.762  0 86  ALA BBB CA   1 ? 2 
ATOM   2967 C C    . ALA B 2 105 ? -2.024  42.898 0.550   1.000 20.857  0 86  ALA BBB C    1 ? 2 
ATOM   2968 O O    . ALA B 2 105 ? -2.817  43.792 0.111   1.000 22.360  0 86  ALA BBB O    1 ? 2 
ATOM   2969 C CB   . ALA B 2 105 ? -2.872  40.767 1.643   1.000 21.653  0 86  ALA BBB CB   1 ? 2 
ATOM   2970 H H    . ALA B 2 105 ? -0.918  40.052 0.287   1.000 20.005  0 86  ALA BBB H    1 c 2 
ATOM   2971 H HA   . ALA B 2 105 ? -3.155  41.401 -0.267  1.000 20.802  0 86  ALA BBB HA   1 c 2 
ATOM   2972 H HB1  . ALA B 2 105 ? -3.598  41.288 2.025   1.000 21.600  0 86  ALA BBB HB1  1 c 2 
ATOM   2973 H HB2  . ALA B 2 105 ? -3.187  39.867 1.451   1.000 21.298  0 86  ALA BBB HB2  1 c 2 
ATOM   2974 H HB3  . ALA B 2 105 ? -2.137  40.723 2.277   1.000 21.542  0 86  ALA BBB HB3  1 c 2 
ATOM   2975 N N    . ARG B 2 106 ? -0.830  43.168 1.065   1.000 22.359  0 87  ARG BBB N    1 ? 2 
ATOM   2976 C CA   . ARG B 2 106 ? -0.310  44.548 1.316   1.000 24.117  0 87  ARG BBB CA   1 ? 2 
ATOM   2977 C C    . ARG B 2 106 ? -0.146  45.330 0.023   1.000 26.412  0 87  ARG BBB C    1 ? 2 
ATOM   2978 O O    . ARG B 2 106 ? -0.347  46.637 0.040   1.000 25.421  0 87  ARG BBB O    1 ? 2 
ATOM   2979 C CB   . ARG B 2 106 ? 1.038   44.442 2.010   1.000 28.463  0 87  ARG BBB CB   1 ? 2 
ATOM   2980 C CG   . ARG B 2 106 ? 1.584   45.755 2.574   1.000 34.625  0 87  ARG BBB CG   1 ? 2 
ATOM   2981 C CD   . ARG B 2 106 ? 2.783   45.421 3.431   1.000 39.693  0 87  ARG BBB CD   1 ? 2 
ATOM   2982 N NE   . ARG B 2 106 ? 3.006   46.515 4.331   1.000 49.752  0 87  ARG BBB NE   1 ? 2 
ATOM   2983 C CZ   . ARG B 2 106 ? 3.524   46.415 5.544   1.000 53.640  0 87  ARG BBB CZ   1 ? 2 
ATOM   2984 N NH1  . ARG B 2 106 ? 3.876   45.231 6.026   1.000 57.360  0 87  ARG BBB NH1  1 ? 2 
ATOM   2985 N NH2  . ARG B 2 106 ? 3.684   47.515 6.264   1.000 56.814  0 87  ARG BBB NH2  1 ? 2 
ATOM   2986 H H    . ARG B 2 106 ? -0.245  42.510 1.299   1.000 22.323  0 87  ARG BBB H    1 c 2 
ATOM   2987 H HA   . ARG B 2 106 ? -0.941  45.023 1.903   1.000 25.209  0 87  ARG BBB HA   1 c 2 
ATOM   2988 H HB2  . ARG B 2 106 ? 0.954   43.798 2.744   1.000 28.661  0 87  ARG BBB HB2  1 c 2 
ATOM   2989 H HB3  . ARG B 2 106 ? 1.688   44.081 1.371   1.000 28.420  0 87  ARG BBB HB3  1 c 2 
ATOM   2990 H HG2  . ARG B 2 106 ? 1.852   46.353 1.844   1.000 34.159  0 87  ARG BBB HG2  1 c 2 
ATOM   2991 H HG3  . ARG B 2 106 ? 0.899   46.202 3.116   1.000 34.431  0 87  ARG BBB HG3  1 c 2 
ATOM   2992 H HD2  . ARG B 2 106 ? 2.606   44.603 3.938   1.000 40.469  0 87  ARG BBB HD2  1 c 2 
ATOM   2993 H HD3  . ARG B 2 106 ? 3.572   45.279 2.868   1.000 40.370  0 87  ARG BBB HD3  1 c 2 
ATOM   2994 H HE   . ARG B 2 106 ? 2.791   47.314 4.052   1.000 48.470  0 87  ARG BBB HE   1 c 2 
ATOM   2995 H HH11 . ARG B 2 106 ? 3.775   44.506 5.545   1.000 55.311  0 87  ARG BBB HH11 1 c 2 
ATOM   2996 H HH12 . ARG B 2 106 ? 4.222   45.176 6.828   1.000 55.937  0 87  ARG BBB HH12 1 c 2 
ATOM   2997 H HH21 . ARG B 2 106 ? 3.445   48.297 5.935   1.000 55.673  0 87  ARG BBB HH21 1 c 2 
ATOM   2998 H HH22 . ARG B 2 106 ? 4.028   47.463 7.073   1.000 55.888  0 87  ARG BBB HH22 1 c 2 
ATOM   2999 N N    . GLU B 2 107 ? 0.163   44.655 -1.076  1.000 22.108  0 88  GLU BBB N    1 ? 2 
ATOM   3000 C CA   . GLU B 2 107 ? 0.366   45.313 -2.380  1.000 22.758  0 88  GLU BBB CA   1 ? 2 
ATOM   3001 C C    . GLU B 2 107 ? -0.903  45.290 -3.203  1.000 20.213  0 88  GLU BBB C    1 ? 2 
ATOM   3002 O O    . GLU B 2 107 ? -0.920  45.981 -4.253  1.000 19.992  0 88  GLU BBB O    1 ? 2 
ATOM   3003 C CB   . GLU B 2 107 ? 1.589   44.720 -3.099  1.000 24.999  0 88  GLU BBB CB   1 ? 2 
ATOM   3004 C CG   . GLU B 2 107 ? 2.855   44.942 -2.314  1.000 28.245  0 88  GLU BBB CG   1 ? 2 
ATOM   3005 C CD   . GLU B 2 107 ? 4.119   44.398 -2.951  1.000 33.236  0 88  GLU BBB CD   1 ? 2 
ATOM   3006 O OE1  . GLU B 2 107 ? 4.124   44.215 -4.191  1.000 34.818  0 88  GLU BBB OE1  1 ? 2 
ATOM   3007 O OE2  . GLU B 2 107 ? 5.085   44.161 -2.170  1.000 37.492  0 88  GLU BBB OE2  1 ? 2 
ATOM   3008 H H    . GLU B 2 107 ? 0.274   43.752 -1.093  1.000 22.980  0 88  GLU BBB H    1 c 2 
ATOM   3009 H HA   . GLU B 2 107 ? 0.571   46.258 -2.196  1.000 22.802  0 88  GLU BBB HA   1 c 2 
ATOM   3010 H HB2  . GLU B 2 107 ? 1.449   43.759 -3.230  1.000 24.870  0 88  GLU BBB HB2  1 c 2 
ATOM   3011 H HB3  . GLU B 2 107 ? 1.674   45.142 -3.979  1.000 25.085  0 88  GLU BBB HB3  1 c 2 
ATOM   3012 H HG2  . GLU B 2 107 ? 2.973   45.905 -2.173  1.000 28.803  0 88  GLU BBB HG2  1 c 2 
ATOM   3013 H HG3  . GLU B 2 107 ? 2.755   44.528 -1.430  1.000 28.579  0 88  GLU BBB HG3  1 c 2 
ATOM   3014 N N    . GLY B 2 108 ? -1.961  44.667 -2.712  1.000 18.736  0 89  GLY BBB N    1 ? 2 
ATOM   3015 C CA   . GLY B 2 108 ? -3.285  44.707 -3.362  1.000 18.564  0 89  GLY BBB CA   1 ? 2 
ATOM   3016 C C    . GLY B 2 108 ? -3.457  43.867 -4.637  1.000 18.389  0 89  GLY BBB C    1 ? 2 
ATOM   3017 O O    . GLY B 2 108 ? -4.322  44.223 -5.480  1.000 19.580  0 89  GLY BBB O    1 ? 2 
ATOM   3018 H H    . GLY B 2 108 ? -1.931  44.170 -1.953  1.000 19.026  0 89  GLY BBB H    1 c 2 
ATOM   3019 H HA2  . GLY B 2 108 ? -3.960  44.412 -2.700  1.000 18.664  0 89  GLY BBB HA2  1 c 2 
ATOM   3020 H HA3  . GLY B 2 108 ? -3.493  45.650 -3.579  1.000 18.807  0 89  GLY BBB HA3  1 c 2 
ATOM   3021 N N    . PHE B 2 109 ? -2.743  42.750 -4.805  1.000 19.573  0 90  PHE BBB N    1 ? 2 
ATOM   3022 C CA   . PHE B 2 109 ? -2.812  41.883 -6.001  1.000 19.255  0 90  PHE BBB CA   1 ? 2 
ATOM   3023 C C    . PHE B 2 109 ? -3.650  40.655 -5.672  1.000 19.363  0 90  PHE BBB C    1 ? 2 
ATOM   3024 O O    . PHE B 2 109 ? -3.145  39.612 -5.253  1.000 18.418  0 90  PHE BBB O    1 ? 2 
ATOM   3025 C CB   . PHE B 2 109 ? -1.410  41.554 -6.476  1.000 19.601  0 90  PHE BBB CB   1 ? 2 
ATOM   3026 C CG   . PHE B 2 109 ? -0.643  42.779 -6.916  1.000 20.840  0 90  PHE BBB CG   1 ? 2 
ATOM   3027 C CD1  . PHE B 2 109 ? -1.008  43.462 -8.067  1.000 21.143  0 90  PHE BBB CD1  1 ? 2 
ATOM   3028 C CD2  . PHE B 2 109 ? 0.490   43.153 -6.219  1.000 21.486  0 90  PHE BBB CD2  1 ? 2 
ATOM   3029 C CE1  . PHE B 2 109 ? -0.287  44.574 -8.457  1.000 21.867  0 90  PHE BBB CE1  1 ? 2 
ATOM   3030 C CE2  . PHE B 2 109 ? 1.262   44.206 -6.658  1.000 23.324  0 90  PHE BBB CE2  1 ? 2 
ATOM   3031 C CZ   . PHE B 2 109 ? 0.859   44.916 -7.754  1.000 22.621  0 90  PHE BBB CZ   1 ? 2 
ATOM   3032 H H    . PHE B 2 109 ? -2.155  42.437 -4.183  1.000 19.150  0 90  PHE BBB H    1 c 2 
ATOM   3033 H HA   . PHE B 2 109 ? -3.270  42.383 -6.723  1.000 19.512  0 90  PHE BBB HA   1 c 2 
ATOM   3034 H HB2  . PHE B 2 109 ? -0.926  41.112 -5.747  1.000 19.682  0 90  PHE BBB HB2  1 c 2 
ATOM   3035 H HB3  . PHE B 2 109 ? -1.471  40.926 -7.225  1.000 19.678  0 90  PHE BBB HB3  1 c 2 
ATOM   3036 H HD1  . PHE B 2 109 ? -1.791  43.217 -8.533  1.000 21.289  0 90  PHE BBB HD1  1 c 2 
ATOM   3037 H HD2  . PHE B 2 109 ? 0.768   42.648 -5.471  1.000 21.640  0 90  PHE BBB HD2  1 c 2 
ATOM   3038 H HE1  . PHE B 2 109 ? -0.535  45.055 -9.230  1.000 22.043  0 90  PHE BBB HE1  1 c 2 
ATOM   3039 H HE2  . PHE B 2 109 ? 2.019   44.479 -6.166  1.000 22.704  0 90  PHE BBB HE2  1 c 2 
ATOM   3040 H HZ   . PHE B 2 109 ? 1.364   45.665 -8.030  1.000 22.722  0 90  PHE BBB HZ   1 c 2 
ATOM   3041 N N    . LEU B 2 110 ? -4.937  40.787 -5.947  1.000 19.041  0 91  LEU BBB N    1 ? 2 
ATOM   3042 C CA   . LEU B 2 110 ? -5.888  39.706 -5.657  1.000 19.319  0 91  LEU BBB CA   1 ? 2 
ATOM   3043 C C    . LEU B 2 110 ? -5.545  38.464 -6.505  1.000 20.221  0 91  LEU BBB C    1 ? 2 
ATOM   3044 O O    . LEU B 2 110 ? -5.628  37.356 -6.018  1.000 17.403  0 91  LEU BBB O    1 ? 2 
ATOM   3045 C CB   . LEU B 2 110 ? -7.280  40.235 -5.976  1.000 19.572  0 91  LEU BBB CB   1 ? 2 
ATOM   3046 C CG   . LEU B 2 110 ? -8.363  39.166 -5.880  1.000 20.192  0 91  LEU BBB CG   1 ? 2 
ATOM   3047 C CD1  . LEU B 2 110 ? -8.351  38.512 -4.503  1.000 20.160  0 91  LEU BBB CD1  1 ? 2 
ATOM   3048 C CD2  . LEU B 2 110 ? -9.734  39.756 -6.245  1.000 21.192  0 91  LEU BBB CD2  1 ? 2 
ATOM   3049 H H    . LEU B 2 110 ? -5.301  41.536 -6.316  1.000 19.350  0 91  LEU BBB H    1 c 2 
ATOM   3050 H HA   . LEU B 2 110 ? -5.824  39.475 -4.702  1.000 19.457  0 91  LEU BBB HA   1 c 2 
ATOM   3051 H HB2  . LEU B 2 110 ? -7.493  40.959 -5.354  1.000 19.816  0 91  LEU BBB HB2  1 c 2 
ATOM   3052 H HB3  . LEU B 2 110 ? -7.279  40.603 -6.881  1.000 19.752  0 91  LEU BBB HB3  1 c 2 
ATOM   3053 H HG   . LEU B 2 110 ? -8.156  38.465 -6.546  1.000 20.131  0 91  LEU BBB HG   1 c 2 
ATOM   3054 H HD11 . LEU B 2 110 ? -7.594  37.904 -4.436  1.000 19.996  0 91  LEU BBB HD11 1 c 2 
ATOM   3055 H HD12 . LEU B 2 110 ? -9.177  38.014 -4.373  1.000 20.258  0 91  LEU BBB HD12 1 c 2 
ATOM   3056 H HD13 . LEU B 2 110 ? -8.276  39.199 -3.817  1.000 20.230  0 91  LEU BBB HD13 1 c 2 
ATOM   3057 H HD21 . LEU B 2 110 ? -9.951  40.478 -5.631  1.000 21.080  0 91  LEU BBB HD21 1 c 2 
ATOM   3058 H HD22 . LEU B 2 110 ? -10.414 39.062 -6.182  1.000 21.036  0 91  LEU BBB HD22 1 c 2 
ATOM   3059 H HD23 . LEU B 2 110 ? -9.707  40.101 -7.154  1.000 21.029  0 91  LEU BBB HD23 1 c 2 
ATOM   3060 N N    . ASP B 2 111 ? -5.205  38.647 -7.778  1.000 21.157  0 92  ASP BBB N    1 ? 2 
ATOM   3061 C CA   . ASP B 2 111 ? -4.909  37.504 -8.696  1.000 22.476  0 92  ASP BBB CA   1 ? 2 
ATOM   3062 C C    . ASP B 2 111 ? -3.825  36.591 -8.102  1.000 18.353  0 92  ASP BBB C    1 ? 2 
ATOM   3063 O O    . ASP B 2 111 ? -4.033  35.358 -8.107  1.000 15.586  0 92  ASP BBB O    1 ? 2 
ATOM   3064 C CB   . ASP B 2 111 ? -4.593  38.006 -10.106 1.000 25.683  0 92  ASP BBB CB   1 ? 2 
ATOM   3065 C CG   . ASP B 2 111 ? -5.904  38.292 -10.872 1.000 36.900  0 92  ASP BBB CG   1 ? 2 
ATOM   3066 O OD1  . ASP B 2 111 ? -7.045  37.932 -10.330 1.000 46.354  0 92  ASP BBB OD1  1 ? 2 
ATOM   3067 O OD2  . ASP B 2 111 ? -5.801  38.826 -12.039 1.000 46.509  0 92  ASP BBB OD2  1 ? 2 
ATOM   3068 H H    . ASP B 2 111 ? -5.142  39.470 -8.164  1.000 21.357  0 92  ASP BBB H    1 c 2 
ATOM   3069 H HA   . ASP B 2 111 ? -5.732  36.967 -8.759  1.000 22.046  0 92  ASP BBB HA   1 c 2 
ATOM   3070 H HB2  . ASP B 2 111 ? -4.067  38.828 -10.059 1.000 27.091  0 92  ASP BBB HB2  1 c 2 
ATOM   3071 H HB3  . ASP B 2 111 ? -4.077  37.331 -10.593 1.000 26.995  0 92  ASP BBB HB3  1 c 2 
ATOM   3072 N N    . THR B 2 112 ? -2.759  37.183 -7.568  1.000 16.856  0 93  THR BBB N    1 ? 2 
ATOM   3073 C CA   . THR B 2 112 ? -1.587  36.464 -7.006  1.000 17.660  0 93  THR BBB CA   1 ? 2 
ATOM   3074 C C    . THR B 2 112 ? -2.040  35.835 -5.690  1.000 17.108  0 93  THR BBB C    1 ? 2 
ATOM   3075 O O    . THR B 2 112 ? -1.698  34.681 -5.370  1.000 15.369  0 93  THR BBB O    1 ? 2 
ATOM   3076 C CB   . THR B 2 112 ? -0.392  37.422 -6.796  1.000 17.795  0 93  THR BBB CB   1 ? 2 
ATOM   3077 O OG1  . THR B 2 112 ? -0.078  37.981 -8.054  1.000 19.225  0 93  THR BBB OG1  1 ? 2 
ATOM   3078 C CG2  . THR B 2 112 ? 0.786   36.694 -6.167  1.000 19.264  0 93  THR BBB CG2  1 ? 2 
ATOM   3079 H H    . THR B 2 112 ? -2.671  38.088 -7.512  1.000 17.480  0 93  THR BBB H    1 c 2 
ATOM   3080 H HA   . THR B 2 112 ? -1.325  35.751 -7.633  1.000 17.345  0 93  THR BBB HA   1 c 2 
ATOM   3081 H HB   . THR B 2 112 ? -0.679  38.145 -6.189  1.000 18.388  0 93  THR BBB HB   1 c 2 
ATOM   3082 H HG1  . THR B 2 112 ? 0.585   38.502 -7.943  0.000 18.800  0 93  THR BBB HG1  1 c 2 
ATOM   3083 H HG21 . THR B 2 112 ? 0.603   36.527 -5.225  1.000 18.805  0 93  THR BBB HG21 1 c 2 
ATOM   3084 H HG22 . THR B 2 112 ? 1.587   37.243 -6.248  1.000 18.809  0 93  THR BBB HG22 1 c 2 
ATOM   3085 H HG23 . THR B 2 112 ? 0.928   35.847 -6.626  1.000 18.713  0 93  THR BBB HG23 1 c 2 
ATOM   3086 N N    . LEU B 2 113 ? -2.800  36.594 -4.911  1.000 18.544  0 94  LEU BBB N    1 ? 2 
ATOM   3087 C CA   . LEU B 2 113 ? -3.352  36.086 -3.649  1.000 19.179  0 94  LEU BBB CA   1 ? 2 
ATOM   3088 C C    . LEU B 2 113 ? -4.214  34.840 -3.893  1.000 17.036  0 94  LEU BBB C    1 ? 2 
ATOM   3089 O O    . LEU B 2 113 ? -4.066  33.886 -3.157  1.000 15.260  0 94  LEU BBB O    1 ? 2 
ATOM   3090 C CB   . LEU B 2 113 ? -4.125  37.188 -2.942  1.000 23.353  0 94  LEU BBB CB   1 ? 2 
ATOM   3091 C CG   . LEU B 2 113 ? -4.764  36.652 -1.653  1.000 29.293  0 94  LEU BBB CG   1 ? 2 
ATOM   3092 C CD1  . LEU B 2 113 ? -3.727  36.603 -0.549  1.000 33.598  0 94  LEU BBB CD1  1 ? 2 
ATOM   3093 C CD2  . LEU B 2 113 ? -5.940  37.458 -1.248  1.000 32.419  0 94  LEU BBB CD2  1 ? 2 
ATOM   3094 H H    . LEU B 2 113 ? -3.011  37.460 -5.101  1.000 18.426  0 94  LEU BBB H    1 c 2 
ATOM   3095 H HA   . LEU B 2 113 ? -2.593  35.821 -3.081  1.000 19.333  0 94  LEU BBB HA   1 c 2 
ATOM   3096 H HB2  . LEU B 2 113 ? -3.517  37.923 -2.725  1.000 23.575  0 94  LEU BBB HB2  1 c 2 
ATOM   3097 H HB3  . LEU B 2 113 ? -4.823  37.527 -3.536  1.000 23.546  0 94  LEU BBB HB3  1 c 2 
ATOM   3098 H HG   . LEU B 2 113 ? -5.075  35.730 -1.819  1.000 29.189  0 94  LEU BBB HG   1 c 2 
ATOM   3099 H HD11 . LEU B 2 113 ? -3.008  35.999 -0.803  1.000 32.046  0 94  LEU BBB HD11 1 c 2 
ATOM   3100 H HD12 . LEU B 2 113 ? -4.142  36.285 0.272   1.000 32.348  0 94  LEU BBB HD12 1 c 2 
ATOM   3101 H HD13 . LEU B 2 113 ? -3.365  37.495 -0.404  1.000 32.244  0 94  LEU BBB HD13 1 c 2 
ATOM   3102 H HD21 . LEU B 2 113 ? -5.678  38.390 -1.157  1.000 31.508  0 94  LEU BBB HD21 1 c 2 
ATOM   3103 H HD22 . LEU B 2 113 ? -6.280  37.132 -0.396  1.000 31.592  0 94  LEU BBB HD22 1 c 2 
ATOM   3104 H HD23 . LEU B 2 113 ? -6.636  37.381 -1.924  1.000 31.475  0 94  LEU BBB HD23 1 c 2 
ATOM   3105 N N    . VAL B 2 114 ? -5.064  34.815 -4.896  1.000 16.632  0 95  VAL BBB N    1 ? 2 
ATOM   3106 C CA   . VAL B 2 114 ? -5.897  33.635 -5.210  1.000 17.349  0 95  VAL BBB CA   1 ? 2 
ATOM   3107 C C    . VAL B 2 114 ? -5.024  32.421 -5.545  1.000 15.329  0 95  VAL BBB C    1 ? 2 
ATOM   3108 O O    . VAL B 2 114 ? -5.319  31.333 -5.085  1.000 15.777  0 95  VAL BBB O    1 ? 2 
ATOM   3109 C CB   . VAL B 2 114 ? -6.887  33.937 -6.338  1.000 18.750  0 95  VAL BBB CB   1 ? 2 
ATOM   3110 C CG1  . VAL B 2 114 ? -7.577  32.681 -6.831  1.000 19.212  0 95  VAL BBB CG1  1 ? 2 
ATOM   3111 C CG2  . VAL B 2 114 ? -7.896  34.970 -5.887  1.000 20.328  0 95  VAL BBB CG2  1 ? 2 
ATOM   3112 H H    . VAL B 2 114 ? -5.181  35.517 -5.464  1.000 16.923  0 95  VAL BBB H    1 c 2 
ATOM   3113 H HA   . VAL B 2 114 ? -6.412  33.418 -4.412  1.000 17.158  0 95  VAL BBB HA   1 c 2 
ATOM   3114 H HB   . VAL B 2 114 ? -6.374  34.319 -7.092  1.000 18.756  0 95  VAL BBB HB   1 c 2 
ATOM   3115 H HG11 . VAL B 2 114 ? -6.973  32.181 -7.408  1.000 19.029  0 95  VAL BBB HG11 1 c 2 
ATOM   3116 H HG12 . VAL B 2 114 ? -8.374  32.925 -7.333  1.000 19.254  0 95  VAL BBB HG12 1 c 2 
ATOM   3117 H HG13 . VAL B 2 114 ? -7.830  32.129 -6.070  1.000 19.145  0 95  VAL BBB HG13 1 c 2 
ATOM   3118 H HG21 . VAL B 2 114 ? -8.435  34.603 -5.164  1.000 19.966  0 95  VAL BBB HG21 1 c 2 
ATOM   3119 H HG22 . VAL B 2 114 ? -8.474  35.207 -6.633  1.000 19.985  0 95  VAL BBB HG22 1 c 2 
ATOM   3120 H HG23 . VAL B 2 114 ? -7.434  35.765 -5.572  1.000 19.816  0 95  VAL BBB HG23 1 c 2 
ATOM   3121 N N    . VAL B 2 115 ? -4.025  32.582 -6.398  1.000 15.404  0 96  VAL BBB N    1 ? 2 
ATOM   3122 C CA   . VAL B 2 115 ? -3.079  31.516 -6.812  1.000 15.104  0 96  VAL BBB CA   1 ? 2 
ATOM   3123 C C    . VAL B 2 115 ? -2.433  30.954 -5.560  1.000 14.201  0 96  VAL BBB C    1 ? 2 
ATOM   3124 O O    . VAL B 2 115 ? -2.391  29.720 -5.338  1.000 14.218  0 96  VAL BBB O    1 ? 2 
ATOM   3125 C CB   . VAL B 2 115 ? -2.049  32.110 -7.795  1.000 15.940  0 96  VAL BBB CB   1 ? 2 
ATOM   3126 C CG1  . VAL B 2 115 ? -0.811  31.262 -7.849  1.000 16.997  0 96  VAL BBB CG1  1 ? 2 
ATOM   3127 C CG2  . VAL B 2 115 ? -2.672  32.324 -9.162  1.000 16.157  0 96  VAL BBB CG2  1 ? 2 
ATOM   3128 H H    . VAL B 2 115 ? -3.858  33.384 -6.796  1.000 15.295  0 96  VAL BBB H    1 c 2 
ATOM   3129 H HA   . VAL B 2 115 ? -3.577  30.808 -7.259  1.000 15.218  0 96  VAL BBB HA   1 c 2 
ATOM   3130 H HB   . VAL B 2 115 ? -1.786  32.997 -7.445  1.000 15.950  0 96  VAL BBB HB   1 c 2 
ATOM   3131 H HG11 . VAL B 2 115 ? -0.323  31.338 -7.011  1.000 16.616  0 96  VAL BBB HG11 1 c 2 
ATOM   3132 H HG12 . VAL B 2 115 ? -0.243  31.564 -8.578  1.000 16.644  0 96  VAL BBB HG12 1 c 2 
ATOM   3133 H HG13 . VAL B 2 115 ? -1.058  30.332 -7.997  1.000 16.696  0 96  VAL BBB HG13 1 c 2 
ATOM   3134 H HG21 . VAL B 2 115 ? -2.952  31.469 -9.530  1.000 16.204  0 96  VAL BBB HG21 1 c 2 
ATOM   3135 H HG22 . VAL B 2 115 ? -2.020  32.734 -9.756  1.000 16.100  0 96  VAL BBB HG22 1 c 2 
ATOM   3136 H HG23 . VAL B 2 115 ? -3.446  32.909 -9.079  1.000 16.185  0 96  VAL BBB HG23 1 c 2 
ATOM   3137 N N    . LEU B 2 116 ? -1.977  31.821 -4.683  1.000 15.806  0 97  LEU BBB N    1 ? 2 
ATOM   3138 C CA   . LEU B 2 116 ? -1.265  31.381 -3.459  1.000 15.577  0 97  LEU BBB CA   1 ? 2 
ATOM   3139 C C    . LEU B 2 116 ? -2.238  30.603 -2.544  1.000 16.317  0 97  LEU BBB C    1 ? 2 
ATOM   3140 O O    . LEU B 2 116 ? -1.863  29.514 -2.101  1.000 14.898  0 97  LEU BBB O    1 ? 2 
ATOM   3141 C CB   . LEU B 2 116 ? -0.678  32.606 -2.719  1.000 16.366  0 97  LEU BBB CB   1 ? 2 
ATOM   3142 C CG   . LEU B 2 116 ? 0.569   33.229 -3.301  1.000 16.734  0 97  LEU BBB CG   1 ? 2 
ATOM   3143 C CD1  . LEU B 2 116 ? 0.842   34.540 -2.629  1.000 17.454  0 97  LEU BBB CD1  1 ? 2 
ATOM   3144 C CD2  . LEU B 2 116 ? 1.740   32.293 -3.123  1.000 17.430  0 97  LEU BBB CD2  1 ? 2 
ATOM   3145 H H    . LEU B 2 116 ? -2.062  32.723 -4.777  1.000 15.327  0 97  LEU BBB H    1 c 2 
ATOM   3146 H HA   . LEU B 2 116 ? -0.535  30.778 -3.725  1.000 15.849  0 97  LEU BBB HA   1 c 2 
ATOM   3147 H HB2  . LEU B 2 116 ? -1.371  33.295 -2.677  1.000 16.316  0 97  LEU BBB HB2  1 c 2 
ATOM   3148 H HB3  . LEU B 2 116 ? -0.482  32.338 -1.799  1.000 16.407  0 97  LEU BBB HB3  1 c 2 
ATOM   3149 H HG   . LEU B 2 116 ? 0.428   33.386 -4.267  1.000 16.804  0 97  LEU BBB HG   1 c 2 
ATOM   3150 H HD11 . LEU B 2 116 ? 0.103   35.151 -2.796  1.000 17.258  0 97  LEU BBB HD11 1 c 2 
ATOM   3151 H HD12 . LEU B 2 116 ? 1.664   34.922 -2.983  1.000 17.235  0 97  LEU BBB HD12 1 c 2 
ATOM   3152 H HD13 . LEU B 2 116 ? 0.936   34.400 -1.671  1.000 17.380  0 97  LEU BBB HD13 1 c 2 
ATOM   3153 H HD21 . LEU B 2 116 ? 1.804   32.026 -2.189  1.000 17.336  0 97  LEU BBB HD21 1 c 2 
ATOM   3154 H HD22 . LEU B 2 116 ? 2.560   32.746 -3.387  1.000 17.201  0 97  LEU BBB HD22 1 c 2 
ATOM   3155 H HD23 . LEU B 2 116 ? 1.614   31.504 -3.677  1.000 17.166  0 97  LEU BBB HD23 1 c 2 
ATOM   3156 N N    . HIS B 2 117 ? -3.441  31.121 -2.279  1.000 16.793  0 98  HIS BBB N    1 ? 2 
ATOM   3157 C CA   . HIS B 2 117 ? -4.495  30.486 -1.426  1.000 17.193  0 98  HIS BBB CA   1 ? 2 
ATOM   3158 C C    . HIS B 2 117 ? -4.877  29.114 -2.007  1.000 16.887  0 98  HIS BBB C    1 ? 2 
ATOM   3159 O O    . HIS B 2 117 ? -4.908  28.107 -1.279  1.000 16.685  0 98  HIS BBB O    1 ? 2 
ATOM   3160 C CB   . HIS B 2 117 ? -5.644  31.469 -1.271  1.000 16.797  0 98  HIS BBB CB   1 ? 2 
ATOM   3161 C CG   . HIS B 2 117 ? -6.795  30.975 -0.450  1.000 17.585  0 98  HIS BBB CG   1 ? 2 
ATOM   3162 N ND1  . HIS B 2 117 ? -6.660  30.431 0.826   1.000 19.461  0 98  HIS BBB ND1  1 ? 2 
ATOM   3163 C CD2  . HIS B 2 117 ? -8.093  30.945 -0.735  1.000 17.386  0 98  HIS BBB CD2  1 ? 2 
ATOM   3164 C CE1  . HIS B 2 117 ? -7.848  30.106 1.281   1.000 18.549  0 98  HIS BBB CE1  1 ? 2 
ATOM   3165 N NE2  . HIS B 2 117 ? -8.728  30.393 0.331   1.000 19.710  0 98  HIS BBB NE2  1 ? 2 
ATOM   3166 H H    . HIS B 2 117 ? -3.708  31.926 -2.611  1.000 16.700  0 98  HIS BBB H    1 c 2 
ATOM   3167 H HA   . HIS B 2 117 ? -4.103  30.335 -0.534  1.000 17.096  0 98  HIS BBB HA   1 c 2 
ATOM   3168 H HB2  . HIS B 2 117 ? -5.298  32.293 -0.861  1.000 17.025  0 98  HIS BBB HB2  1 c 2 
ATOM   3169 H HB3  . HIS B 2 117 ? -5.978  31.704 -2.166  1.000 16.959  0 98  HIS BBB HB3  1 c 2 
ATOM   3170 H HD1  . HIS B 2 117 ? -5.902  30.369 1.248   0.000 19.370  0 98  HIS BBB HD1  1 c 2 
ATOM   3171 H HD2  . HIS B 2 117 ? -8.496  31.229 -1.530  1.000 17.931  0 98  HIS BBB HD2  1 c 2 
ATOM   3172 H HE1  . HIS B 2 117 ? -8.033  29.712 2.110   1.000 19.301  0 98  HIS BBB HE1  1 c 2 
ATOM   3173 H HE2  . HIS B 2 117 ? -9.597  30.268 0.380   0.000 18.730  0 98  HIS BBB HE2  1 c 2 
ATOM   3174 N N    . ARG B 2 118 ? -5.114  29.062 -3.301  1.000 15.968  0 99  ARG BBB N    1 ? 2 
ATOM   3175 C CA   . ARG B 2 118 ? -5.447  27.835 -4.014  1.000 17.476  0 99  ARG BBB CA   1 ? 2 
ATOM   3176 C C    . ARG B 2 118 ? -4.353  26.783 -3.749  1.000 15.618  0 99  ARG BBB C    1 ? 2 
ATOM   3177 O O    . ARG B 2 118 ? -4.709  25.640 -3.550  1.000 14.685  0 99  ARG BBB O    1 ? 2 
ATOM   3178 C CB   . ARG B 2 118 ? -5.641  28.075 -5.510  1.000 18.560  0 99  ARG BBB CB   1 ? 2 
ATOM   3179 C CG   . ARG B 2 118 ? -5.777  26.756 -6.269  1.000 20.313  0 99  ARG BBB CG   1 ? 2 
ATOM   3180 C CD   . ARG B 2 118 ? -5.945  26.873 -7.742  1.000 22.464  0 99  ARG BBB CD   1 ? 2 
ATOM   3181 N NE   . ARG B 2 118 ? -7.131  27.610 -8.085  1.000 24.874  0 99  ARG BBB NE   1 ? 2 
ATOM   3182 C CZ   . ARG B 2 118 ? -7.266  28.850 -8.657  1.000 24.677  0 99  ARG BBB CZ   1 ? 2 
ATOM   3183 N NH1  . ARG B 2 118 ? -8.505  29.260 -8.883  1.000 25.043  0 99  ARG BBB NH1  1 ? 2 
ATOM   3184 N NH2  . ARG B 2 118 ? -6.258  29.643 -9.046  1.000 23.135  0 99  ARG BBB NH2  1 ? 2 
ATOM   3185 H H    . ARG B 2 118 ? -5.089  29.801 -3.833  1.000 16.401  0 99  ARG BBB H    1 c 2 
ATOM   3186 H HA   . ARG B 2 118 ? -6.294  27.495 -3.644  1.000 17.194  0 99  ARG BBB HA   1 c 2 
ATOM   3187 H HB2  . ARG B 2 118 ? -6.447  28.614 -5.647  1.000 18.711  0 99  ARG BBB HB2  1 c 2 
ATOM   3188 H HB3  . ARG B 2 118 ? -4.872  28.573 -5.858  1.000 18.491  0 99  ARG BBB HB3  1 c 2 
ATOM   3189 H HG2  . ARG B 2 118 ? -4.980  26.211 -6.099  1.000 20.325  0 99  ARG BBB HG2  1 c 2 
ATOM   3190 H HG3  . ARG B 2 118 ? -6.547  26.266 -5.909  1.000 20.559  0 99  ARG BBB HG3  1 c 2 
ATOM   3191 H HD2  . ARG B 2 118 ? -5.161  27.323 -8.122  1.000 22.330  0 99  ARG BBB HD2  1 c 2 
ATOM   3192 H HD3  . ARG B 2 118 ? -5.998  25.976 -8.134  1.000 22.570  0 99  ARG BBB HD3  1 c 2 
ATOM   3193 H HE   . ARG B 2 118 ? -7.881  27.205 -7.902  1.000 24.447  0 99  ARG BBB HE   1 c 2 
ATOM   3194 H HH11 . ARG B 2 118 ? -9.185  28.758 -8.641  1.000 25.071  0 99  ARG BBB HH11 1 c 2 
ATOM   3195 H HH12 . ARG B 2 118 ? -8.647  30.048 -9.245  1.000 24.912  0 99  ARG BBB HH12 1 c 2 
ATOM   3196 H HH21 . ARG B 2 118 ? -5.425  29.391 -8.918  1.000 23.465  0 99  ARG BBB HH21 1 c 2 
ATOM   3197 H HH22 . ARG B 2 118 ? -6.431  30.426 -9.411  1.000 23.589  0 99  ARG BBB HH22 1 c 2 
ATOM   3198 N N    . ALA B 2 119 ? -3.087  27.133 -3.840  1.000 14.602  0 100 ALA BBB N    1 ? 2 
ATOM   3199 C CA   . ALA B 2 119 ? -1.924  26.230 -3.583  1.000 15.307  0 100 ALA BBB CA   1 ? 2 
ATOM   3200 C C    . ALA B 2 119 ? -1.691  25.823 -2.110  1.000 16.094  0 100 ALA BBB C    1 ? 2 
ATOM   3201 O O    . ALA B 2 119 ? -0.962  24.849 -1.941  1.000 17.058  0 100 ALA BBB O    1 ? 2 
ATOM   3202 C CB   . ALA B 2 119 ? -0.652  26.894 -4.098  1.000 15.351  0 100 ALA BBB CB   1 ? 2 
ATOM   3203 H H    . ALA B 2 119 ? -2.824  27.973 -4.075  1.000 14.837  0 100 ALA BBB H    1 c 2 
ATOM   3204 H HA   . ALA B 2 119 ? -2.068  25.404 -4.100  1.000 15.403  0 100 ALA BBB HA   1 c 2 
ATOM   3205 H HB1  . ALA B 2 119 ? 0.110   26.318 -3.924  1.000 15.336  0 100 ALA BBB HB1  1 c 2 
ATOM   3206 H HB2  . ALA B 2 119 ? -0.729  27.047 -5.055  1.000 15.211  0 100 ALA BBB HB2  1 c 2 
ATOM   3207 H HB3  . ALA B 2 119 ? -0.522  27.745 -3.646  1.000 15.232  0 100 ALA BBB HB3  1 c 2 
ATOM   3208 N N    . GLY B 2 120 ? -2.399  26.406 -1.150  1.000 15.978  0 101 GLY BBB N    1 ? 2 
ATOM   3209 C CA   . GLY B 2 120 ? -2.286  26.084 0.278   1.000 16.807  0 101 GLY BBB CA   1 ? 2 
ATOM   3210 C C    . GLY B 2 120 ? -1.739  27.182 1.146   1.000 17.557  0 101 GLY BBB C    1 ? 2 
ATOM   3211 O O    . GLY B 2 120 ? -1.295  26.859 2.233   1.000 17.582  0 101 GLY BBB O    1 ? 2 
ATOM   3212 H H    . GLY B 2 120 ? -3.010  27.055 -1.328  1.000 16.102  0 101 GLY BBB H    1 c 2 
ATOM   3213 H HA2  . GLY B 2 120 ? -3.185  25.837 0.612   1.000 16.988  0 101 GLY BBB HA2  1 c 2 
ATOM   3214 H HA3  . GLY B 2 120 ? -1.711  25.286 0.377   1.000 16.940  0 101 GLY BBB HA3  1 c 2 
ATOM   3215 N N    . ALA B 2 121 ? -1.673  28.427 0.690   1.000 17.821  0 102 ALA BBB N    1 ? 2 
ATOM   3216 C CA   . ALA B 2 121 ? -1.258  29.589 1.487   1.000 19.093  0 102 ALA BBB CA   1 ? 2 
ATOM   3217 C C    . ALA B 2 121 ? -2.295  29.783 2.617   1.000 19.847  0 102 ALA BBB C    1 ? 2 
ATOM   3218 O O    . ALA B 2 121 ? -3.427  30.005 2.308   1.000 21.535  0 102 ALA BBB O    1 ? 2 
ATOM   3219 C CB   . ALA B 2 121 ? -1.056  30.824 0.635   1.000 18.272  0 102 ALA BBB CB   1 ? 2 
ATOM   3220 H H    . ALA B 2 121 ? -1.886  28.656 -0.165  1.000 17.809  0 102 ALA BBB H    1 c 2 
ATOM   3221 H HA   . ALA B 2 121 ? -0.394  29.368 1.906   1.000 18.940  0 102 ALA BBB HA   1 c 2 
ATOM   3222 H HB1  . ALA B 2 121 ? -0.532  31.471 1.131   1.000 18.548  0 102 ALA BBB HB1  1 c 2 
ATOM   3223 H HB2  . ALA B 2 121 ? -0.583  30.585 -0.179  1.000 18.292  0 102 ALA BBB HB2  1 c 2 
ATOM   3224 H HB3  . ALA B 2 121 ? -1.919  31.210 0.407   1.000 18.424  0 102 ALA BBB HB3  1 c 2 
ATOM   3225 N N    . ARG B 2 122 ? -1.873  29.580 3.850   1.000 21.173  0 103 ARG BBB N    1 ? 2 
ATOM   3226 C CA   . ARG B 2 122 ? -2.655  29.802 5.076   1.000 24.754  0 103 ARG BBB CA   1 ? 2 
ATOM   3227 C C    . ARG B 2 122 ? -2.894  31.301 5.208   1.000 24.085  0 103 ARG BBB C    1 ? 2 
ATOM   3228 O O    . ARG B 2 122 ? -1.938  32.111 4.981   1.000 22.770  0 103 ARG BBB O    1 ? 2 
ATOM   3229 C CB   . ARG B 2 122 ? -1.924  29.267 6.293   1.000 28.061  0 103 ARG BBB CB   1 ? 2 
ATOM   3230 C CG   . ARG B 2 122 ? -1.676  27.770 6.223   1.000 33.526  0 103 ARG BBB CG   1 ? 2 
ATOM   3231 C CD   . ARG B 2 122 ? -1.018  27.365 7.504   1.000 42.296  0 103 ARG BBB CD   1 ? 2 
ATOM   3232 N NE   . ARG B 2 122 ? -2.112  27.489 8.454   1.000 51.860  0 103 ARG BBB NE   1 ? 2 
ATOM   3233 C CZ   . ARG B 2 122 ? -2.699  26.471 9.103   1.000 62.202  0 103 ARG BBB CZ   1 ? 2 
ATOM   3234 N NH1  . ARG B 2 122 ? -2.246  25.232 8.935   1.000 63.151  0 103 ARG BBB NH1  1 ? 2 
ATOM   3235 N NH2  . ARG B 2 122 ? -3.722  26.709 9.932   1.000 61.929  0 103 ARG BBB NH2  1 ? 2 
ATOM   3236 H H    . ARG B 2 122 ? -1.026  29.291 4.020   1.000 21.745  0 103 ARG BBB H    1 c 2 
ATOM   3237 H HA   . ARG B 2 122 ? -3.519  29.340 4.988   1.000 24.532  0 103 ARG BBB HA   1 c 2 
ATOM   3238 H HB2  . ARG B 2 122 ? -1.064  29.730 6.372   1.000 28.498  0 103 ARG BBB HB2  1 c 2 
ATOM   3239 H HB3  . ARG B 2 122 ? -2.454  29.473 7.089   1.000 28.860  0 103 ARG BBB HB3  1 c 2 
ATOM   3240 H HG2  . ARG B 2 122 ? -2.524  27.289 6.114   1.000 33.905  0 103 ARG BBB HG2  1 c 2 
ATOM   3241 H HG3  . ARG B 2 122 ? -1.090  27.556 5.466   1.000 33.540  0 103 ARG BBB HG3  1 c 2 
ATOM   3242 H HD2  . ARG B 2 122 ? -0.688  26.446 7.454   1.000 42.238  0 103 ARG BBB HD2  1 c 2 
ATOM   3243 H HD3  . ARG B 2 122 ? -0.282  27.973 7.731   1.000 42.018  0 103 ARG BBB HD3  1 c 2 
ATOM   3244 H HE   . ARG B 2 122 ? -2.442  28.283 8.588   1.000 51.844  0 103 ARG BBB HE   1 c 2 
ATOM   3245 H HH11 . ARG B 2 122 ? -1.580  25.069 8.390   1.000 61.888  0 103 ARG BBB HH11 1 c 2 
ATOM   3246 H HH12 . ARG B 2 122 ? -2.621  24.576 9.371   1.000 62.334  0 103 ARG BBB HH12 1 c 2 
ATOM   3247 H HH21 . ARG B 2 122 ? -4.010  27.533 10.050  1.000 61.514  0 103 ARG BBB HH21 1 c 2 
ATOM   3248 H HH22 . ARG B 2 122 ? -4.093  26.043 10.374  1.000 61.851  0 103 ARG BBB HH22 1 c 2 
ATOM   3249 N N    . LEU B 2 123 ? -4.156  31.649 5.412   1.000 24.954  0 104 LEU BBB N    1 ? 2 
ATOM   3250 C CA   . LEU B 2 123 ? -4.621  33.064 5.515   1.000 27.801  0 104 LEU BBB CA   1 ? 2 
ATOM   3251 C C    . LEU B 2 123 ? -4.598  33.564 6.993   1.000 30.150  0 104 LEU BBB C    1 ? 2 
ATOM   3252 O O    . LEU B 2 123 ? -4.664  34.775 7.231   1.000 32.631  0 104 LEU BBB O    1 ? 2 
ATOM   3253 C CB   . LEU B 2 123 ? -6.038  33.103 4.941   1.000 27.379  0 104 LEU BBB CB   1 ? 2 
ATOM   3254 C CG   . LEU B 2 123 ? -6.202  32.705 3.478   1.000 26.346  0 104 LEU BBB CG   1 ? 2 
ATOM   3255 C CD1  . LEU B 2 123 ? -7.639  33.000 3.049   1.000 26.319  0 104 LEU BBB CD1  1 ? 2 
ATOM   3256 C CD2  . LEU B 2 123 ? -5.210  33.458 2.589   1.000 26.460  0 104 LEU BBB CD2  1 ? 2 
ATOM   3257 H H    . LEU B 2 123 ? -4.823  31.036 5.511   1.000 25.500  0 104 LEU BBB H    1 c 2 
ATOM   3258 H HA   . LEU B 2 123 ? -4.026  33.634 4.976   1.000 27.299  0 104 LEU BBB HA   1 c 2 
ATOM   3259 H HB2  . LEU B 2 123 ? -6.601  32.514 5.483   1.000 27.509  0 104 LEU BBB HB2  1 c 2 
ATOM   3260 H HB3  . LEU B 2 123 ? -6.382  34.012 5.050   1.000 27.351  0 104 LEU BBB HB3  1 c 2 
ATOM   3261 H HG   . LEU B 2 123 ? -6.036  31.734 3.391   1.000 26.532  0 104 LEU BBB HG   1 c 2 
ATOM   3262 H HD11 . LEU B 2 123 ? -8.251  32.437 3.554   1.000 26.544  0 104 LEU BBB HD11 1 c 2 
ATOM   3263 H HD12 . LEU B 2 123 ? -7.739  32.816 2.099   1.000 26.146  0 104 LEU BBB HD12 1 c 2 
ATOM   3264 H HD13 . LEU B 2 123 ? -7.844  33.935 3.220   1.000 26.392  0 104 LEU BBB HD13 1 c 2 
ATOM   3265 H HD21 . LEU B 2 123 ? -5.177  34.393 2.857   1.000 26.390  0 104 LEU BBB HD21 1 c 2 
ATOM   3266 H HD22 . LEU B 2 123 ? -5.495  33.398 1.660   1.000 26.163  0 104 LEU BBB HD22 1 c 2 
ATOM   3267 H HD23 . LEU B 2 123 ? -4.325  33.064 2.681   1.000 26.296  0 104 LEU BBB HD23 1 c 2 
ATOM   3268 N N    . ASP B 2 124 ? -4.410  32.660 7.951   1.000 33.028  0 105 ASP BBB N    1 ? 2 
ATOM   3269 C CA   . ASP B 2 124 ? -4.488  32.888 9.417   1.000 35.867  0 105 ASP BBB CA   1 ? 2 
ATOM   3270 C C    . ASP B 2 124 ? -3.093  33.128 9.969   1.000 34.512  0 105 ASP BBB C    1 ? 2 
ATOM   3271 O O    . ASP B 2 124 ? -2.924  33.003 11.138  1.000 40.935  0 105 ASP BBB O    1 ? 2 
ATOM   3272 C CB   . ASP B 2 124 ? -5.110  31.651 10.083  1.000 43.744  0 105 ASP BBB CB   1 ? 2 
ATOM   3273 C CG   . ASP B 2 124 ? -4.543  30.338 9.533   1.000 49.806  0 105 ASP BBB CG   1 ? 2 
ATOM   3274 O OD1  . ASP B 2 124 ? -3.347  30.114 9.722   1.000 52.826  0 105 ASP BBB OD1  1 ? 2 
ATOM   3275 O OD2  . ASP B 2 124 ? -5.282  29.592 8.825   1.000 61.508  0 105 ASP BBB OD2  1 ? 2 
ATOM   3276 H H    . ASP B 2 124 ? -4.195  31.803 7.747   1.000 32.869  0 105 ASP BBB H    1 c 2 
ATOM   3277 H HA   . ASP B 2 124 ? -5.053  33.677 9.594   1.000 36.477  0 105 ASP BBB HA   1 c 2 
ATOM   3278 H HB2  . ASP B 2 124 ? -4.954  31.680 11.049  1.000 43.497  0 105 ASP BBB HB2  1 c 2 
ATOM   3279 H HB3  . ASP B 2 124 ? -6.076  31.658 9.929   1.000 43.114  0 105 ASP BBB HB3  1 c 2 
ATOM   3280 N N    . VAL B 2 125 ? -2.118  33.455 9.154   1.000 32.280  0 106 VAL BBB N    1 ? 2 
ATOM   3281 C CA   . VAL B 2 125 ? -0.705  33.680 9.571   1.000 32.850  0 106 VAL BBB CA   1 ? 2 
ATOM   3282 C C    . VAL B 2 125 ? -0.520  35.130 10.083  1.000 31.473  0 106 VAL BBB C    1 ? 2 
ATOM   3283 O O    . VAL B 2 125 ? -1.048  36.074 9.471   1.000 31.235  0 106 VAL BBB O    1 ? 2 
ATOM   3284 C CB   . VAL B 2 125 ? 0.277   33.335 8.407   1.000 34.798  0 106 VAL BBB CB   1 ? 2 
ATOM   3285 C CG1  . VAL B 2 125 ? 0.440   31.838 8.202   1.000 35.586  0 106 VAL BBB CG1  1 ? 2 
ATOM   3286 C CG2  . VAL B 2 125 ? -0.082  34.004 7.081   1.000 33.254  0 106 VAL BBB CG2  1 ? 2 
ATOM   3287 H H    . VAL B 2 125 ? -2.253  33.585 8.268   1.000 32.476  0 106 VAL BBB H    1 c 2 
ATOM   3288 H HA   . VAL B 2 125 ? -0.513  33.076 10.310  1.000 33.228  0 106 VAL BBB HA   1 c 2 
ATOM   3289 H HB   . VAL B 2 125 ? 1.162   33.685 8.674   1.000 34.438  0 106 VAL BBB HB   1 c 2 
ATOM   3290 H HG11 . VAL B 2 125 ? 0.783   31.434 9.017   1.000 35.678  0 106 VAL BBB HG11 1 c 2 
ATOM   3291 H HG12 . VAL B 2 125 ? 1.065   31.676 7.473   1.000 35.086  0 106 VAL BBB HG12 1 c 2 
ATOM   3292 H HG13 . VAL B 2 125 ? -0.422  31.444 7.983   1.000 35.232  0 106 VAL BBB HG13 1 c 2 
ATOM   3293 H HG21 . VAL B 2 125 ? -0.877  33.587 6.709   1.000 33.387  0 106 VAL BBB HG21 1 c 2 
ATOM   3294 H HG22 . VAL B 2 125 ? 0.657   33.902 6.456   1.000 33.369  0 106 VAL BBB HG22 1 c 2 
ATOM   3295 H HG23 . VAL B 2 125 ? -0.251  34.950 7.228   1.000 33.617  0 106 VAL BBB HG23 1 c 2 
ATOM   3296 N N    . ARG B 2 126 ? 0.294   35.319 11.121  1.000 32.657  0 107 ARG BBB N    1 ? 2 
ATOM   3297 C CA   . ARG B 2 126 ? 0.670   36.645 11.667  1.000 34.431  0 107 ARG BBB CA   1 ? 2 
ATOM   3298 C C    . ARG B 2 126 ? 2.161   36.891 11.452  1.000 32.583  0 107 ARG BBB C    1 ? 2 
ATOM   3299 O O    . ARG B 2 126 ? 2.989   35.969 11.652  1.000 37.688  0 107 ARG BBB O    1 ? 2 
ATOM   3300 C CB   . ARG B 2 126 ? 0.260   36.757 13.132  1.000 38.860  0 107 ARG BBB CB   1 ? 2 
ATOM   3301 C CG   . ARG B 2 126 ? -1.238  36.668 13.329  1.000 40.484  0 107 ARG BBB CG   1 ? 2 
ATOM   3302 C CD   . ARG B 2 126 ? -1.603  37.012 14.760  1.000 44.335  0 107 ARG BBB CD   1 ? 2 
ATOM   3303 N NE   . ARG B 2 126 ? -3.034  36.891 14.957  1.000 43.818  0 107 ARG BBB NE   1 ? 2 
ATOM   3304 C CZ   . ARG B 2 126 ? -3.933  37.864 14.901  1.000 44.262  0 107 ARG BBB CZ   1 ? 2 
ATOM   3305 N NH1  . ARG B 2 126 ? -3.614  39.124 14.650  1.000 44.623  0 107 ARG BBB NH1  1 ? 2 
ATOM   3306 N NH2  . ARG B 2 126 ? -5.194  37.541 15.059  1.000 46.880  0 107 ARG BBB NH2  1 ? 2 
ATOM   3307 H H    . ARG B 2 126 ? 0.678   34.624 11.568  1.000 33.038  0 107 ARG BBB H    1 c 2 
ATOM   3308 H HA   . ARG B 2 126 ? 0.174   37.325 11.163  1.000 34.201  0 107 ARG BBB HA   1 c 2 
ATOM   3309 H HB2  . ARG B 2 126 ? 0.693   36.038 13.638  1.000 38.555  0 107 ARG BBB HB2  1 c 2 
ATOM   3310 H HB3  . ARG B 2 126 ? 0.579   37.612 13.485  1.000 38.571  0 107 ARG BBB HB3  1 c 2 
ATOM   3311 H HG2  . ARG B 2 126 ? -1.688  37.291 12.720  1.000 40.502  0 107 ARG BBB HG2  1 c 2 
ATOM   3312 H HG3  . ARG B 2 126 ? -1.545  35.759 13.125  1.000 40.646  0 107 ARG BBB HG3  1 c 2 
ATOM   3313 H HD2  . ARG B 2 126 ? -1.137  36.403 15.371  1.000 43.770  0 107 ARG BBB HD2  1 c 2 
ATOM   3314 H HD3  . ARG B 2 126 ? -1.315  37.927 14.963  1.000 43.631  0 107 ARG BBB HD3  1 c 2 
ATOM   3315 H HE   . ARG B 2 126 ? -3.339  36.087 15.106  1.000 44.174  0 107 ARG BBB HE   1 c 2 
ATOM   3316 H HH11 . ARG B 2 126 ? -2.776  39.352 14.524  1.000 44.516  0 107 ARG BBB HH11 1 c 2 
ATOM   3317 H HH12 . ARG B 2 126 ? -4.244  39.737 14.621  1.000 44.586  0 107 ARG BBB HH12 1 c 2 
ATOM   3318 H HH21 . ARG B 2 126 ? -5.417  36.706 15.230  1.000 46.003  0 107 ARG BBB HH21 1 c 2 
ATOM   3319 H HH22 . ARG B 2 126 ? -5.813  38.167 15.040  1.000 45.992  0 107 ARG BBB HH22 1 c 2 
ATOM   3320 N N    . ASP B 2 127 ? 2.488   38.098 11.018  1.000 32.883  0 108 ASP BBB N    1 ? 2 
ATOM   3321 C CA   . ASP B 2 127 ? 3.883   38.554 10.843  1.000 35.979  0 108 ASP BBB CA   1 ? 2 
ATOM   3322 C C    . ASP B 2 127 ? 4.451   38.913 12.253  1.000 41.207  0 108 ASP BBB C    1 ? 2 
ATOM   3323 O O    . ASP B 2 127 ? 3.771   38.702 13.295  1.000 38.611  0 108 ASP BBB O    1 ? 2 
ATOM   3324 C CB   . ASP B 2 127 ? 3.952   39.677 9.806   1.000 35.574  0 108 ASP BBB CB   1 ? 2 
ATOM   3325 C CG   . ASP B 2 127 ? 3.326   40.994 10.254  1.000 39.656  0 108 ASP BBB CG   1 ? 2 
ATOM   3326 O OD1  . ASP B 2 127 ? 2.749   41.053 11.369  1.000 44.092  0 108 ASP BBB OD1  1 ? 2 
ATOM   3327 O OD2  . ASP B 2 127 ? 3.438   41.950 9.521   1.000 37.897  0 108 ASP BBB OD2  1 ? 2 
ATOM   3328 H H    . ASP B 2 127 ? 1.865   38.726 10.800  1.000 33.385  0 108 ASP BBB H    1 c 2 
ATOM   3329 H HA   . ASP B 2 127 ? 4.404   37.796 10.492  1.000 35.987  0 108 ASP BBB HA   1 c 2 
ATOM   3330 H HB2  . ASP B 2 127 ? 4.890   39.845 9.581   1.000 36.498  0 108 ASP BBB HB2  1 c 2 
ATOM   3331 H HB3  . ASP B 2 127 ? 3.493   39.384 8.992   1.000 36.020  0 108 ASP BBB HB3  1 c 2 
ATOM   3332 N N    . ALA B 2 128 ? 5.671   39.446 12.292  1.000 43.292  0 109 ALA BBB N    1 ? 2 
ATOM   3333 C CA   . ALA B 2 128 ? 6.441   39.703 13.530  1.000 47.691  0 109 ALA BBB CA   1 ? 2 
ATOM   3334 C C    . ALA B 2 128 ? 5.636   40.655 14.420  1.000 49.061  0 109 ALA BBB C    1 ? 2 
ATOM   3335 O O    . ALA B 2 128 ? 5.702   40.502 15.653  1.000 55.350  0 109 ALA BBB O    1 ? 2 
ATOM   3336 C CB   . ALA B 2 128 ? 7.821   40.233 13.164  1.000 48.826  0 109 ALA BBB CB   1 ? 2 
ATOM   3337 H H    . ALA B 2 128 ? 6.130   39.687 11.544  1.000 43.382  0 109 ALA BBB H    1 c 2 
ATOM   3338 H HA   . ALA B 2 128 ? 6.549   38.852 14.011  1.000 47.529  0 109 ALA BBB HA   1 c 2 
ATOM   3339 H HB1  . ALA B 2 128 ? 8.287   40.508 13.971  1.000 49.083  0 109 ALA BBB HB1  1 c 2 
ATOM   3340 H HB2  . ALA B 2 128 ? 8.331   39.536 12.720  1.000 48.291  0 109 ALA BBB HB2  1 c 2 
ATOM   3341 H HB3  . ALA B 2 128 ? 7.730   40.997 12.569  1.000 48.277  0 109 ALA BBB HB3  1 c 2 
ATOM   3342 N N    . TRP B 2 129 ? 4.854   41.557 13.824  1.000 49.535  0 110 TRP BBB N    1 ? 2 
ATOM   3343 C CA   . TRP B 2 129 ? 4.077   42.609 14.525  1.000 49.443  0 110 TRP BBB CA   1 ? 2 
ATOM   3344 C C    . TRP B 2 129 ? 2.626   42.166 14.682  1.000 47.879  0 110 TRP BBB C    1 ? 2 
ATOM   3345 O O    . TRP B 2 129 ? 1.765   43.048 14.806  1.000 50.522  0 110 TRP BBB O    1 ? 2 
ATOM   3346 C CB   . TRP B 2 129 ? 4.171   43.917 13.741  1.000 54.161  0 110 TRP BBB CB   1 ? 2 
ATOM   3347 C CG   . TRP B 2 129 ? 5.570   44.403 13.549  1.000 61.273  0 110 TRP BBB CG   1 ? 2 
ATOM   3348 C CD1  . TRP B 2 129 ? 6.296   45.168 14.414  1.000 66.977  0 110 TRP BBB CD1  1 ? 2 
ATOM   3349 C CD2  . TRP B 2 129 ? 6.429   44.148 12.423  1.000 68.487  0 110 TRP BBB CD2  1 ? 2 
ATOM   3350 N NE1  . TRP B 2 129 ? 7.545   45.410 13.908  1.000 72.744  0 110 TRP BBB NE1  1 ? 2 
ATOM   3351 C CE2  . TRP B 2 129 ? 7.655   44.805 12.685  1.000 71.764  0 110 TRP BBB CE2  1 ? 2 
ATOM   3352 C CE3  . TRP B 2 129 ? 6.279   43.445 11.214  1.000 68.374  0 110 TRP BBB CE3  1 ? 2 
ATOM   3353 C CZ2  . TRP B 2 129 ? 8.718   44.782 11.780  1.000 73.317  0 110 TRP BBB CZ2  1 ? 2 
ATOM   3354 C CZ3  . TRP B 2 129 ? 7.324   43.430 10.317  1.000 68.213  0 110 TRP BBB CZ3  1 ? 2 
ATOM   3355 C CH2  . TRP B 2 129 ? 8.526   44.088 10.603  1.000 72.759  0 110 TRP BBB CH2  1 ? 2 
ATOM   3356 H H    . TRP B 2 129 ? 4.755   41.597 12.920  1.000 48.726  0 110 TRP BBB H    1 c 2 
ATOM   3357 H HA   . TRP B 2 129 ? 4.473   42.751 15.416  1.000 50.750  0 110 TRP BBB HA   1 c 2 
ATOM   3358 H HB2  . TRP B 2 129 ? 3.753   43.784 12.866  1.000 53.921  0 110 TRP BBB HB2  1 c 2 
ATOM   3359 H HB3  . TRP B 2 129 ? 3.658   44.602 14.218  1.000 54.757  0 110 TRP BBB HB3  1 c 2 
ATOM   3360 H HD1  . TRP B 2 129 ? 5.991   45.476 15.254  1.000 67.882  0 110 TRP BBB HD1  1 c 2 
ATOM   3361 H HE1  . TRP B 2 129 ? 8.168   45.885 14.301  1.000 71.478  0 110 TRP BBB HE1  1 c 2 
ATOM   3362 H HE3  . TRP B 2 129 ? 5.468   43.009 11.013  1.000 67.744  0 110 TRP BBB HE3  1 c 2 
ATOM   3363 H HZ2  . TRP B 2 129 ? 9.530   45.221 11.968  1.000 72.609  0 110 TRP BBB HZ2  1 c 2 
ATOM   3364 H HZ3  . TRP B 2 129 ? 7.235   42.955 9.506   1.000 68.358  0 110 TRP BBB HZ3  1 c 2 
ATOM   3365 H HH2  . TRP B 2 129 ? 9.231   44.044 9.981   1.000 70.972  0 110 TRP BBB HH2  1 c 2 
ATOM   3366 N N    . GLY B 2 130 ? 2.370   40.851 14.661  1.000 47.059  0 111 GLY BBB N    1 ? 2 
ATOM   3367 C CA   . GLY B 2 130 ? 1.033   40.242 14.826  1.000 42.974  0 111 GLY BBB CA   1 ? 2 
ATOM   3368 C C    . GLY B 2 130 ? 0.013   40.663 13.773  1.000 41.480  0 111 GLY BBB C    1 ? 2 
ATOM   3369 O O    . GLY B 2 130 ? -1.168  40.573 14.083  1.000 42.863  0 111 GLY BBB O    1 ? 2 
ATOM   3370 H H    . GLY B 2 130 ? 3.027   40.235 14.544  1.000 46.185  0 111 GLY BBB H    1 c 2 
ATOM   3371 H HA2  . GLY B 2 130 ? 1.131   39.259 14.805  1.000 43.636  0 111 GLY BBB HA2  1 c 2 
ATOM   3372 H HA3  . GLY B 2 130 ? 0.688   40.486 15.720  1.000 44.687  0 111 GLY BBB HA3  1 c 2 
ATOM   3373 N N    . ARG B 2 131 ? 0.402   40.999 12.519  1.000 39.625  0 112 ARG BBB N    1 ? 2 
ATOM   3374 C CA   . ARG B 2 131 ? -0.609  41.336 11.472  1.000 37.121  0 112 ARG BBB CA   1 ? 2 
ATOM   3375 C C    . ARG B 2 131 ? -0.931  40.125 10.585  1.000 32.437  0 112 ARG BBB C    1 ? 2 
ATOM   3376 O O    . ARG B 2 131 ? 0.017   39.403 10.215  1.000 29.340  0 112 ARG BBB O    1 ? 2 
ATOM   3377 C CB   . ARG B 2 131 ? -0.154  42.502 10.607  1.000 39.027  0 112 ARG BBB CB   1 ? 2 
ATOM   3378 C CG   . ARG B 2 131 ? -0.180  43.805 11.374  1.000 42.931  0 112 ARG BBB CG   1 ? 2 
ATOM   3379 C CD   . ARG B 2 131 ? 0.485   44.909 10.647  1.000 43.798  0 112 ARG BBB CD   1 ? 2 
ATOM   3380 N NE   . ARG B 2 131 ? 1.845   44.520 10.336  1.000 44.838  0 112 ARG BBB NE   1 ? 2 
ATOM   3381 C CZ   . ARG B 2 131 ? 2.681   45.281 9.645   1.000 44.176  0 112 ARG BBB CZ   1 ? 2 
ATOM   3382 N NH1  . ARG B 2 131 ? 2.351   46.518 9.302   1.000 44.387  0 112 ARG BBB NH1  1 ? 2 
ATOM   3383 N NH2  . ARG B 2 131 ? 3.875   44.817 9.352   1.000 47.446  0 112 ARG BBB NH2  1 ? 2 
ATOM   3384 H H    . ARG B 2 131 ? 1.270   41.037 12.249  1.000 39.402  0 112 ARG BBB H    1 c 2 
ATOM   3385 H HA   . ARG B 2 131 ? -1.436  41.607 11.930  1.000 37.233  0 112 ARG BBB HA   1 c 2 
ATOM   3386 H HB2  . ARG B 2 131 ? 0.752   42.324 10.286  1.000 39.197  0 112 ARG BBB HB2  1 c 2 
ATOM   3387 H HB3  . ARG B 2 131 ? -0.746  42.574 9.829   1.000 38.917  0 112 ARG BBB HB3  1 c 2 
ATOM   3388 H HG2  . ARG B 2 131 ? -1.112  44.057 11.550  1.000 42.400  0 112 ARG BBB HG2  1 c 2 
ATOM   3389 H HG3  . ARG B 2 131 ? 0.266   43.680 12.239  1.000 42.733  0 112 ARG BBB HG3  1 c 2 
ATOM   3390 H HD2  . ARG B 2 131 ? -0.004  45.103 9.819   1.000 43.448  0 112 ARG BBB HD2  1 c 2 
ATOM   3391 H HD3  . ARG B 2 131 ? 0.489   45.717 11.203  1.000 44.242  0 112 ARG BBB HD3  1 c 2 
ATOM   3392 H HE   . ARG B 2 131 ? 2.097   43.709 10.524  1.000 44.420  0 112 ARG BBB HE   1 c 2 
ATOM   3393 H HH11 . ARG B 2 131 ? 1.550   46.829 9.482   1.000 44.517  0 112 ARG BBB HH11 1 c 2 
ATOM   3394 H HH12 . ARG B 2 131 ? 2.925   47.016 8.864   1.000 44.477  0 112 ARG BBB HH12 1 c 2 
ATOM   3395 H HH21 . ARG B 2 131 ? 4.104   44.006 9.604   1.000 46.291  0 112 ARG BBB HH21 1 c 2 
ATOM   3396 H HH22 . ARG B 2 131 ? 4.457   45.331 8.937   1.000 46.275  0 112 ARG BBB HH22 1 c 2 
ATOM   3397 N N    . LEU B 2 132 ? -2.230  39.943 10.348  1.000 30.364  0 113 LEU BBB N    1 ? 2 
ATOM   3398 C CA   . LEU B 2 132 ? -2.859  39.081 9.308   1.000 29.724  0 113 LEU BBB CA   1 ? 2 
ATOM   3399 C C    . LEU B 2 132 ? -2.821  39.756 7.931   1.000 27.690  0 113 LEU BBB C    1 ? 2 
ATOM   3400 O O    . LEU B 2 132 ? -2.796  40.986 7.808   1.000 24.649  0 113 LEU BBB O    1 ? 2 
ATOM   3401 C CB   . LEU B 2 132 ? -4.328  38.807 9.630   1.000 30.115  0 113 LEU BBB CB   1 ? 2 
ATOM   3402 C CG   . LEU B 2 132 ? -4.606  38.008 10.895  1.000 32.464  0 113 LEU BBB CG   1 ? 2 
ATOM   3403 C CD1  . LEU B 2 132 ? -6.096  37.934 11.109  1.000 34.301  0 113 LEU BBB CD1  1 ? 2 
ATOM   3404 C CD2  . LEU B 2 132 ? -4.046  36.616 10.816  1.000 33.233  0 113 LEU BBB CD2  1 ? 2 
ATOM   3405 H H    . LEU B 2 132 ? -2.858  40.368 10.853  1.000 31.063  0 113 LEU BBB H    1 c 2 
ATOM   3406 H HA   . LEU B 2 132 ? -2.366  38.235 9.268   1.000 29.403  0 113 LEU BBB HA   1 c 2 
ATOM   3407 H HB2  . LEU B 2 132 ? -4.789  39.667 9.703   1.000 30.613  0 113 LEU BBB HB2  1 c 2 
ATOM   3408 H HB3  . LEU B 2 132 ? -4.722  38.328 8.874   1.000 30.166  0 113 LEU BBB HB3  1 c 2 
ATOM   3409 H HG   . LEU B 2 132 ? -4.196  38.475 11.664  1.000 32.934  0 113 LEU BBB HG   1 c 2 
ATOM   3410 H HD11 . LEU B 2 132 ? -6.459  38.833 11.185  1.000 33.879  0 113 LEU BBB HD11 1 c 2 
ATOM   3411 H HD12 . LEU B 2 132 ? -6.283  37.440 11.926  1.000 34.102  0 113 LEU BBB HD12 1 c 2 
ATOM   3412 H HD13 . LEU B 2 132 ? -6.511  37.480 10.355  1.000 33.455  0 113 LEU BBB HD13 1 c 2 
ATOM   3413 H HD21 . LEU B 2 132 ? -4.280  36.219 9.959   1.000 32.594  0 113 LEU BBB HD21 1 c 2 
ATOM   3414 H HD22 . LEU B 2 132 ? -4.415  36.075 11.536  1.000 33.260  0 113 LEU BBB HD22 1 c 2 
ATOM   3415 H HD23 . LEU B 2 132 ? -3.078  36.651 10.902  1.000 32.992  0 113 LEU BBB HD23 1 c 2 
ATOM   3416 N N    . PRO B 2 133 ? -2.814  38.934 6.856   1.000 25.622  0 114 PRO BBB N    1 ? 2 
ATOM   3417 C CA   . PRO B 2 133 ? -2.962  39.451 5.493   1.000 25.056  0 114 PRO BBB CA   1 ? 2 
ATOM   3418 C C    . PRO B 2 133 ? -4.152  40.427 5.386   1.000 24.930  0 114 PRO BBB C    1 ? 2 
ATOM   3419 O O    . PRO B 2 133 ? -3.949  41.500 4.875   1.000 24.066  0 114 PRO BBB O    1 ? 2 
ATOM   3420 C CB   . PRO B 2 133 ? -3.103  38.157 4.661   1.000 24.561  0 114 PRO BBB CB   1 ? 2 
ATOM   3421 C CG   . PRO B 2 133 ? -2.340  37.076 5.461   1.000 23.764  0 114 PRO BBB CG   1 ? 2 
ATOM   3422 C CD   . PRO B 2 133 ? -2.610  37.471 6.905   1.000 25.048  0 114 PRO BBB CD   1 ? 2 
ATOM   3423 H HA   . PRO B 2 133 ? -2.127  39.914 5.232   1.000 24.979  0 114 PRO BBB HA   1 c 2 
ATOM   3424 H HB2  . PRO B 2 133 ? -4.047  37.910 4.558   1.000 24.356  0 114 PRO BBB HB2  1 c 2 
ATOM   3425 H HB3  . PRO B 2 133 ? -2.709  38.271 3.770   1.000 24.130  0 114 PRO BBB HB3  1 c 2 
ATOM   3426 H HG2  . PRO B 2 133 ? -2.688  36.181 5.269   1.000 24.071  0 114 PRO BBB HG2  1 c 2 
ATOM   3427 H HG3  . PRO B 2 133 ? -1.382  37.100 5.263   1.000 24.105  0 114 PRO BBB HG3  1 c 2 
ATOM   3428 H HD2  . PRO B 2 133 ? -3.404  37.021 7.249   1.000 25.088  0 114 PRO BBB HD2  1 c 2 
ATOM   3429 H HD3  . PRO B 2 133 ? -1.849  37.245 7.470   1.000 25.175  0 114 PRO BBB HD3  1 c 2 
ATOM   3430 N N    . VAL B 2 134 ? -5.310  40.078 5.960   1.000 26.637  0 115 VAL BBB N    1 ? 2 
ATOM   3431 C CA   . VAL B 2 134 ? -6.558  40.903 5.901   1.000 27.148  0 115 VAL BBB CA   1 ? 2 
ATOM   3432 C C    . VAL B 2 134 ? -6.348  42.265 6.577   1.000 26.171  0 115 VAL BBB C    1 ? 2 
ATOM   3433 O O    . VAL B 2 134 ? -6.831  43.261 6.029   1.000 27.398  0 115 VAL BBB O    1 ? 2 
ATOM   3434 C CB   . VAL B 2 134 ? -7.773  40.175 6.483   1.000 28.173  0 115 VAL BBB CB   1 ? 2 
ATOM   3435 C CG1  . VAL B 2 134 ? -7.656  40.071 7.979   1.000 28.654  0 115 VAL BBB CG1  1 ? 2 
ATOM   3436 C CG2  . VAL B 2 134 ? -9.039  40.896 6.062   1.000 31.143  0 115 VAL BBB CG2  1 ? 2 
ATOM   3437 H H    . VAL B 2 134 ? -5.412  39.298 6.419   1.000 26.430  0 115 VAL BBB H    1 c 2 
ATOM   3438 H HA   . VAL B 2 134 ? -6.743  41.073 4.960   1.000 26.758  0 115 VAL BBB HA   1 c 2 
ATOM   3439 H HB   . VAL B 2 134 ? -7.793  39.261 6.106   1.000 28.343  0 115 VAL BBB HB   1 c 2 
ATOM   3440 H HG11 . VAL B 2 134 ? -6.746  39.824 8.220   1.000 28.625  0 115 VAL BBB HG11 1 c 2 
ATOM   3441 H HG12 . VAL B 2 134 ? -8.272  39.392 8.306   1.000 28.748  0 115 VAL BBB HG12 1 c 2 
ATOM   3442 H HG13 . VAL B 2 134 ? -7.877  40.928 8.384   1.000 28.889  0 115 VAL BBB HG13 1 c 2 
ATOM   3443 H HG21 . VAL B 2 134 ? -9.064  41.778 6.471   1.000 30.437  0 115 VAL BBB HG21 1 c 2 
ATOM   3444 H HG22 . VAL B 2 134 ? -9.814  40.384 6.351   1.000 30.363  0 115 VAL BBB HG22 1 c 2 
ATOM   3445 H HG23 . VAL B 2 134 ? -9.055  40.987 5.093   1.000 29.964  0 115 VAL BBB HG23 1 c 2 
ATOM   3446 N N    . ASP B 2 135 ? -5.526  42.328 7.621   1.000 28.235  0 116 ASP BBB N    1 ? 2 
ATOM   3447 C CA   . ASP B 2 135 ? -5.124  43.590 8.299   1.000 29.768  0 116 ASP BBB CA   1 ? 2 
ATOM   3448 C C    . ASP B 2 135 ? -4.377  44.494 7.339   1.000 28.678  0 116 ASP BBB C    1 ? 2 
ATOM   3449 O O    . ASP B 2 135 ? -4.630  45.690 7.301   1.000 25.862  0 116 ASP BBB O    1 ? 2 
ATOM   3450 C CB   . ASP B 2 135 ? -4.212  43.376 9.514   1.000 32.309  0 116 ASP BBB CB   1 ? 2 
ATOM   3451 C CG   . ASP B 2 135 ? -4.825  42.507 10.615  1.000 37.122  0 116 ASP BBB CG   1 ? 2 
ATOM   3452 O OD1  . ASP B 2 135 ? -6.122  42.442 10.677  1.000 36.748  0 116 ASP BBB OD1  1 ? 2 
ATOM   3453 O OD2  . ASP B 2 135 ? -4.018  41.912 11.419  1.000 37.129  0 116 ASP BBB OD2  1 ? 2 
ATOM   3454 H H    . ASP B 2 135 ? -5.153  41.584 7.992   1.000 28.093  0 116 ASP BBB H    1 c 2 
ATOM   3455 H HA   . ASP B 2 135 ? -5.941  44.055 8.598   1.000 29.987  0 116 ASP BBB HA   1 c 2 
ATOM   3456 H HB2  . ASP B 2 135 ? -3.378  42.957 9.220   1.000 32.553  0 116 ASP BBB HB2  1 c 2 
ATOM   3457 H HB3  . ASP B 2 135 ? -3.993  44.247 9.902   1.000 33.050  0 116 ASP BBB HB3  1 c 2 
ATOM   3458 N N    . LEU B 2 136 ? -3.402  43.958 6.613   1.000 28.192  0 117 LEU BBB N    1 ? 2 
ATOM   3459 C CA   . LEU B 2 136 ? -2.573  44.797 5.720   1.000 27.228  0 117 LEU BBB CA   1 ? 2 
ATOM   3460 C C    . LEU B 2 136 ? -3.461  45.377 4.617   1.000 25.802  0 117 LEU BBB C    1 ? 2 
ATOM   3461 O O    . LEU B 2 136 ? -3.242  46.542 4.201   1.000 25.556  0 117 LEU BBB O    1 ? 2 
ATOM   3462 C CB   . LEU B 2 136 ? -1.409  43.940 5.203   1.000 27.969  0 117 LEU BBB CB   1 ? 2 
ATOM   3463 C CG   . LEU B 2 136 ? -0.486  43.429 6.298   1.000 31.519  0 117 LEU BBB CG   1 ? 2 
ATOM   3464 C CD1  . LEU B 2 136 ? 0.513   42.405 5.783   1.000 34.244  0 117 LEU BBB CD1  1 ? 2 
ATOM   3465 C CD2  . LEU B 2 136 ? 0.239   44.577 6.991   1.000 32.130  0 117 LEU BBB CD2  1 ? 2 
ATOM   3466 H H    . LEU B 2 136 ? -3.208  43.069 6.607   1.000 27.894  0 117 LEU BBB H    1 c 2 
ATOM   3467 H HA   . LEU B 2 136 ? -2.214  45.544 6.249   1.000 27.663  0 117 LEU BBB HA   1 c 2 
ATOM   3468 H HB2  . LEU B 2 136 ? -1.776  43.175 4.717   1.000 28.169  0 117 LEU BBB HB2  1 c 2 
ATOM   3469 H HB3  . LEU B 2 136 ? -0.885  44.473 4.573   1.000 28.371  0 117 LEU BBB HB3  1 c 2 
ATOM   3470 H HG   . LEU B 2 136 ? -1.045  42.979 6.977   1.000 31.543  0 117 LEU BBB HG   1 c 2 
ATOM   3471 H HD11 . LEU B 2 136 ? 0.036   41.649 5.401   1.000 33.031  0 117 LEU BBB HD11 1 c 2 
ATOM   3472 H HD12 . LEU B 2 136 ? 1.071   42.097 6.519   1.000 33.504  0 117 LEU BBB HD12 1 c 2 
ATOM   3473 H HD13 . LEU B 2 136 ? 1.074   42.813 5.101   1.000 33.164  0 117 LEU BBB HD13 1 c 2 
ATOM   3474 H HD21 . LEU B 2 136 ? 0.648   45.154 6.322   1.000 32.005  0 117 LEU BBB HD21 1 c 2 
ATOM   3475 H HD22 . LEU B 2 136 ? 0.930   44.219 7.575   1.000 32.296  0 117 LEU BBB HD22 1 c 2 
ATOM   3476 H HD23 . LEU B 2 136 ? -0.395  45.093 7.518   1.000 32.351  0 117 LEU BBB HD23 1 c 2 
ATOM   3477 N N    . ALA B 2 137 ? -4.386  44.562 4.116   1.000 24.669  0 118 ALA BBB N    1 ? 2 
ATOM   3478 C CA   . ALA B 2 137 ? -5.277  44.929 2.995   1.000 24.726  0 118 ALA BBB CA   1 ? 2 
ATOM   3479 C C    . ALA B 2 137 ? -6.241  46.032 3.449   1.000 24.869  0 118 ALA BBB C    1 ? 2 
ATOM   3480 O O    . ALA B 2 137 ? -6.343  47.055 2.775   1.000 24.307  0 118 ALA BBB O    1 ? 2 
ATOM   3481 C CB   . ALA B 2 137 ? -6.022  43.731 2.525   1.000 22.490  0 118 ALA BBB CB   1 ? 2 
ATOM   3482 H H    . ALA B 2 137 ? -4.535  43.717 4.422   1.000 24.858  0 118 ALA BBB H    1 c 2 
ATOM   3483 H HA   . ALA B 2 137 ? -4.726  45.275 2.255   1.000 24.126  0 118 ALA BBB HA   1 c 2 
ATOM   3484 H HB1  . ALA B 2 137 ? -6.581  43.972 1.767   1.000 23.013  0 118 ALA BBB HB1  1 c 2 
ATOM   3485 H HB2  . ALA B 2 137 ? -5.393  43.041 2.255   1.000 22.865  0 118 ALA BBB HB2  1 c 2 
ATOM   3486 H HB3  . ALA B 2 137 ? -6.583  43.393 3.244   1.000 23.225  0 118 ALA BBB HB3  1 c 2 
ATOM   3487 N N    . GLU B 2 138 ? -6.875  45.811 4.587   1.000 25.804  0 119 GLU BBB N    1 ? 2 
ATOM   3488 C CA   . GLU B 2 138 ? -7.878  46.778 5.139   1.000 27.576  0 119 GLU BBB CA   1 ? 2 
ATOM   3489 C C    . GLU B 2 138 ? -7.226  48.113 5.432   1.000 26.839  0 119 GLU BBB C    1 ? 2 
ATOM   3490 O O    . GLU B 2 138 ? -7.775  49.184 5.107   1.000 26.995  0 119 GLU BBB O    1 ? 2 
ATOM   3491 C CB   . GLU B 2 138 ? -8.501  46.126 6.362   1.000 30.909  0 119 GLU BBB CB   1 ? 2 
ATOM   3492 C CG   . GLU B 2 138 ? -9.702  45.316 5.959   1.000 34.651  0 119 GLU BBB CG   1 ? 2 
ATOM   3493 C CD   . GLU B 2 138 ? -10.340 44.477 7.024   1.000 39.296  0 119 GLU BBB CD   1 ? 2 
ATOM   3494 O OE1  . GLU B 2 138 ? -9.845  44.463 8.167   1.000 42.968  0 119 GLU BBB OE1  1 ? 2 
ATOM   3495 O OE2  . GLU B 2 138 ? -11.314 43.803 6.677   1.000 46.209  0 119 GLU BBB OE2  1 ? 2 
ATOM   3496 H H    . GLU B 2 138 ? -6.747  45.064 5.091   1.000 25.953  0 119 GLU BBB H    1 c 2 
ATOM   3497 H HA   . GLU B 2 138 ? -8.579  46.915 4.460   1.000 27.606  0 119 GLU BBB HA   1 c 2 
ATOM   3498 H HB2  . GLU B 2 138 ? -7.842  45.549 6.799   1.000 30.933  0 119 GLU BBB HB2  1 c 2 
ATOM   3499 H HB3  . GLU B 2 138 ? -8.774  46.822 6.996   1.000 31.338  0 119 GLU BBB HB3  1 c 2 
ATOM   3500 H HG2  . GLU B 2 138 ? -10.384 45.927 5.607   1.000 34.720  0 119 GLU BBB HG2  1 c 2 
ATOM   3501 H HG3  . GLU B 2 138 ? -9.441  44.721 5.223   1.000 34.257  0 119 GLU BBB HG3  1 c 2 
ATOM   3502 N N    . GLU B 2 139 ? -6.038  48.074 5.987   1.000 28.698  0 120 GLU BBB N    1 ? 2 
ATOM   3503 C CA   . GLU B 2 139 ? -5.369  49.301 6.468   1.000 32.215  0 120 GLU BBB CA   1 ? 2 
ATOM   3504 C C    . GLU B 2 139 ? -5.123  50.225 5.276   1.000 28.854  0 120 GLU BBB C    1 ? 2 
ATOM   3505 O O    . GLU B 2 139 ? -5.232  51.446 5.475   1.000 29.440  0 120 GLU BBB O    1 ? 2 
ATOM   3506 C CB   . GLU B 2 139 ? -4.170  48.920 7.340   1.000 39.394  0 120 GLU BBB CB   1 ? 2 
ATOM   3507 C CG   . GLU B 2 139 ? -3.072  49.954 7.317   1.000 49.180  0 120 GLU BBB CG   1 ? 2 
ATOM   3508 C CD   . GLU B 2 139 ? -1.741  49.590 7.986   1.000 58.304  0 120 GLU BBB CD   1 ? 2 
ATOM   3509 O OE1  . GLU B 2 139 ? -1.518  48.369 8.291   1.000 59.854  0 120 GLU BBB OE1  1 ? 2 
ATOM   3510 O OE2  . GLU B 2 139 ? -0.918  50.547 8.208   1.000 60.427  0 120 GLU BBB OE2  1 ? 2 
ATOM   3511 H H    . GLU B 2 139 ? -5.567  47.305 6.110   1.000 28.822  0 120 GLU BBB H    1 c 2 
ATOM   3512 H HA   . GLU B 2 139 ? -6.013  49.761 7.055   1.000 32.425  0 120 GLU BBB HA   1 c 2 
ATOM   3513 H HB2  . GLU B 2 139 ? -4.477  48.798 8.263   1.000 39.787  0 120 GLU BBB HB2  1 c 2 
ATOM   3514 H HB3  . GLU B 2 139 ? -3.808  48.068 7.025   1.000 39.124  0 120 GLU BBB HB3  1 c 2 
ATOM   3515 H HG2  . GLU B 2 139 ? -2.880  50.181 6.384   1.000 48.267  0 120 GLU BBB HG2  1 c 2 
ATOM   3516 H HG3  . GLU B 2 139 ? -3.409  50.770 7.746   1.000 48.926  0 120 GLU BBB HG3  1 c 2 
ATOM   3517 N N    . LEU B 2 140 ? -4.859  49.696 4.076   1.000 26.280  0 121 LEU BBB N    1 ? 2 
ATOM   3518 C CA   . LEU B 2 140 ? -4.477  50.467 2.853   1.000 26.209  0 121 LEU BBB CA   1 ? 2 
ATOM   3519 C C    . LEU B 2 140 ? -5.675  50.661 1.919   1.000 24.907  0 121 LEU BBB C    1 ? 2 
ATOM   3520 O O    . LEU B 2 140 ? -5.515  51.387 0.906   1.000 26.053  0 121 LEU BBB O    1 ? 2 
ATOM   3521 C CB   . LEU B 2 140 ? -3.302  49.792 2.115   1.000 27.860  0 121 LEU BBB CB   1 ? 2 
ATOM   3522 C CG   . LEU B 2 140 ? -1.963  49.939 2.869   1.000 29.925  0 121 LEU BBB CG   1 ? 2 
ATOM   3523 C CD1  . LEU B 2 140 ? -0.885  49.032 2.311   1.000 30.703  0 121 LEU BBB CD1  1 ? 2 
ATOM   3524 C CD2  . LEU B 2 140 ? -1.521  51.387 2.810   1.000 31.873  0 121 LEU BBB CD2  1 ? 2 
ATOM   3525 H H    . LEU B 2 140 ? -4.884  48.797 3.930   1.000 26.489  0 121 LEU BBB H    1 c 2 
ATOM   3526 H HA   . LEU B 2 140 ? -4.187  51.359 3.148   1.000 26.681  0 121 LEU BBB HA   1 c 2 
ATOM   3527 H HB2  . LEU B 2 140 ? -3.502  48.841 2.003   1.000 27.505  0 121 LEU BBB HB2  1 c 2 
ATOM   3528 H HB3  . LEU B 2 140 ? -3.213  50.190 1.226   1.000 27.712  0 121 LEU BBB HB3  1 c 2 
ATOM   3529 H HG   . LEU B 2 140 ? -2.112  49.698 3.816   1.000 30.214  0 121 LEU BBB HG   1 c 2 
ATOM   3530 H HD11 . LEU B 2 140 ? -1.176  48.106 2.374   1.000 30.119  0 121 LEU BBB HD11 1 c 2 
ATOM   3531 H HD12 . LEU B 2 140 ? -0.065  49.150 2.822   1.000 30.523  0 121 LEU BBB HD12 1 c 2 
ATOM   3532 H HD13 . LEU B 2 140 ? -0.721  49.257 1.379   1.000 30.215  0 121 LEU BBB HD13 1 c 2 
ATOM   3533 H HD21 . LEU B 2 140 ? -1.603  51.717 1.898   1.000 31.273  0 121 LEU BBB HD21 1 c 2 
ATOM   3534 H HD22 . LEU B 2 140 ? -0.593  51.455 3.096   1.000 31.495  0 121 LEU BBB HD22 1 c 2 
ATOM   3535 H HD23 . LEU B 2 140 ? -2.079  51.923 3.400   1.000 31.664  0 121 LEU BBB HD23 1 c 2 
ATOM   3536 N N    . GLY B 2 141 ? -6.819  50.069 2.246   1.000 23.264  0 122 GLY BBB N    1 ? 2 
ATOM   3537 C CA   . GLY B 2 141 ? -8.063  50.208 1.463   1.000 22.794  0 122 GLY BBB CA   1 ? 2 
ATOM   3538 C C    . GLY B 2 141 ? -8.100  49.314 0.251   1.000 24.568  0 122 GLY BBB C    1 ? 2 
ATOM   3539 O O    . GLY B 2 141 ? -8.762  49.685 -0.693  1.000 24.420  0 122 GLY BBB O    1 ? 2 
ATOM   3540 H H    . GLY B 2 141 ? -6.900  49.535 2.977   1.000 23.554  0 122 GLY BBB H    1 c 2 
ATOM   3541 H HA2  . GLY B 2 141 ? -8.833  49.994 2.047   1.000 23.533  0 122 GLY BBB HA2  1 c 2 
ATOM   3542 H HA3  . GLY B 2 141 ? -8.155  51.150 1.175   1.000 23.641  0 122 GLY BBB HA3  1 c 2 
ATOM   3543 N N    . HIS B 2 142 ? -7.372  48.178 0.240   1.000 24.408  0 123 HIS BBB N    1 ? 2 
ATOM   3544 C CA   . HIS B 2 142 ? -7.394  47.187 -0.884  1.000 23.114  0 123 HIS BBB CA   1 ? 2 
ATOM   3545 C C    . HIS B 2 142 ? -8.627  46.331 -0.746  1.000 22.823  0 123 HIS BBB C    1 ? 2 
ATOM   3546 O O    . HIS B 2 142 ? -8.502  45.178 -0.201  1.000 27.152  0 123 HIS BBB O    1 ? 2 
ATOM   3547 C CB   . HIS B 2 142 ? -6.138  46.330 -0.908  1.000 23.699  0 123 HIS BBB CB   1 ? 2 
ATOM   3548 C CG   . HIS B 2 142 ? -4.842  47.046 -1.094  1.000 23.082  0 123 HIS BBB CG   1 ? 2 
ATOM   3549 N ND1  . HIS B 2 142 ? -4.649  48.001 -2.022  1.000 23.702  0 123 HIS BBB ND1  1 ? 2 
ATOM   3550 C CD2  . HIS B 2 142 ? -3.650  46.875 -0.496  1.000 23.658  0 123 HIS BBB CD2  1 ? 2 
ATOM   3551 C CE1  . HIS B 2 142 ? -3.393  48.381 -1.988  1.000 24.088  0 123 HIS BBB CE1  1 ? 2 
ATOM   3552 N NE2  . HIS B 2 142 ? -2.781  47.738 -1.060  1.000 24.024  0 123 HIS BBB NE2  1 ? 2 
ATOM   3553 H H    . HIS B 2 142 ? -6.819  47.928 0.918   1.000 24.131  0 123 HIS BBB H    1 c 2 
ATOM   3554 H HA   . HIS B 2 142 ? -7.453  47.685 -1.733  1.000 23.433  0 123 HIS BBB HA   1 c 2 
ATOM   3555 H HB2  . HIS B 2 142 ? -6.091  45.830 -0.062  1.000 23.342  0 123 HIS BBB HB2  1 c 2 
ATOM   3556 H HB3  . HIS B 2 142 ? -6.231  45.669 -1.629  1.000 23.118  0 123 HIS BBB HB3  1 c 2 
ATOM   3557 H HD1  . HIS B 2 142 ? -5.258  48.250 -2.608  0.000 23.260  0 123 HIS BBB HD1  1 c 2 
ATOM   3558 H HD2  . HIS B 2 142 ? -3.457  46.276 0.201   1.000 23.551  0 123 HIS BBB HD2  1 c 2 
ATOM   3559 H HE1  . HIS B 2 142 ? -3.017  49.060 -2.521  1.000 24.099  0 123 HIS BBB HE1  1 c 2 
ATOM   3560 H HE2  . HIS B 2 142 ? -1.930  47.850 -0.856  0.000 23.030  0 123 HIS BBB HE2  1 c 2 
ATOM   3561 N N    . ARG B 2 143 ? -9.775  46.842 -1.172  1.000 22.785  0 124 ARG BBB N    1 ? 2 
ATOM   3562 C CA   . ARG B 2 143 ? -11.084 46.277 -0.800  1.000 24.026  0 124 ARG BBB CA   1 ? 2 
ATOM   3563 C C    . ARG B 2 143 ? -11.362 44.949 -1.479  1.000 24.145  0 124 ARG BBB C    1 ? 2 
ATOM   3564 O O    . ARG B 2 143 ? -12.032 44.118 -0.834  1.000 24.472  0 124 ARG BBB O    1 ? 2 
ATOM   3565 C CB   . ARG B 2 143 ? -12.207 47.271 -1.021  1.000 25.378  0 124 ARG BBB CB   1 ? 2 
ATOM   3566 C CG   . ARG B 2 143 ? -12.131 48.380 0.024   1.000 25.480  0 124 ARG BBB CG   1 ? 2 
ATOM   3567 C CD   . ARG B 2 143 ? -13.348 49.215 0.111   1.000 25.798  0 124 ARG BBB CD   1 ? 2 
ATOM   3568 N NE   . ARG B 2 143 ? -13.084 50.327 0.987   1.000 25.011  0 124 ARG BBB NE   1 ? 2 
ATOM   3569 C CZ   . ARG B 2 143 ? -13.409 50.407 2.265   1.000 23.720  0 124 ARG BBB CZ   1 ? 2 
ATOM   3570 N NH1  . ARG B 2 143 ? -14.048 49.440 2.865   1.000 25.104  0 124 ARG BBB NH1  1 ? 2 
ATOM   3571 N NH2  . ARG B 2 143 ? -13.071 51.465 2.951   1.000 23.609  0 124 ARG BBB NH2  1 ? 2 
ATOM   3572 H H    . ARG B 2 143 ? -9.821  47.569 -1.719  1.000 23.231  0 124 ARG BBB H    1 c 2 
ATOM   3573 H HA   . ARG B 2 143 ? -11.045 46.096 0.167   1.000 24.133  0 124 ARG BBB HA   1 c 2 
ATOM   3574 H HB2  . ARG B 2 143 ? -12.131 47.657 -1.918  1.000 25.089  0 124 ARG BBB HB2  1 c 2 
ATOM   3575 H HB3  . ARG B 2 143 ? -13.069 46.811 -0.949  1.000 25.190  0 124 ARG BBB HB3  1 c 2 
ATOM   3576 H HG2  . ARG B 2 143 ? -11.965 47.980 0.904   1.000 25.497  0 124 ARG BBB HG2  1 c 2 
ATOM   3577 H HG3  . ARG B 2 143 ? -11.368 48.961 -0.185  1.000 25.490  0 124 ARG BBB HG3  1 c 2 
ATOM   3578 H HD2  . ARG B 2 143 ? -13.578 49.546 -0.782  1.000 25.593  0 124 ARG BBB HD2  1 c 2 
ATOM   3579 H HD3  . ARG B 2 143 ? -14.099 48.683 0.447   1.000 25.609  0 124 ARG BBB HD3  1 c 2 
ATOM   3580 H HE   . ARG B 2 143 ? -12.645 51.000 0.649   1.000 24.879  0 124 ARG BBB HE   1 c 2 
ATOM   3581 H HH11 . ARG B 2 143 ? -14.272 48.715 2.426   1.000 24.443  0 124 ARG BBB HH11 1 c 2 
ATOM   3582 H HH12 . ARG B 2 143 ? -14.255 49.515 3.717   1.000 24.868  0 124 ARG BBB HH12 1 c 2 
ATOM   3583 H HH21 . ARG B 2 143 ? -12.646 52.128 2.556   1.000 23.934  0 124 ARG BBB HH21 1 c 2 
ATOM   3584 H HH22 . ARG B 2 143 ? -13.297 51.530 3.801   1.000 24.110  0 124 ARG BBB HH22 1 c 2 
ATOM   3585 N N    . ASP B 2 144 ? -10.920 44.779 -2.721  1.000 25.016  0 125 ASP BBB N    1 ? 2 
ATOM   3586 C CA   . ASP B 2 144 ? -11.107 43.480 -3.456  1.000 26.573  0 125 ASP BBB CA   1 ? 2 
ATOM   3587 C C    . ASP B 2 144 ? -10.418 42.355 -2.682  1.000 22.760  0 125 ASP BBB C    1 ? 2 
ATOM   3588 O O    . ASP B 2 144 ? -11.015 41.355 -2.410  1.000 21.076  0 125 ASP BBB O    1 ? 2 
ATOM   3589 C CB   . ASP B 2 144 ? -10.610 43.597 -4.912  1.000 30.055  0 125 ASP BBB CB   1 ? 2 
ATOM   3590 C CG   . ASP B 2 144 ? -9.122  43.961 -5.101  1.000 33.674  0 125 ASP BBB CG   1 ? 2 
ATOM   3591 O OD1  . ASP B 2 144 ? -8.432  44.453 -4.108  1.000 38.353  0 125 ASP BBB OD1  1 ? 2 
ATOM   3592 O OD2  . ASP B 2 144 ? -8.633  43.785 -6.290  1.000 36.959  0 125 ASP BBB OD2  1 ? 2 
ATOM   3593 H H    . ASP B 2 144 ? -10.497 45.431 -3.196  1.000 25.201  0 125 ASP BBB H    1 c 2 
ATOM   3594 H HA   . ASP B 2 144 ? -12.073 43.286 -3.483  1.000 26.294  0 125 ASP BBB HA   1 c 2 
ATOM   3595 H HB2  . ASP B 2 144 ? -10.768 42.742 -5.362  1.000 29.884  0 125 ASP BBB HB2  1 c 2 
ATOM   3596 H HB3  . ASP B 2 144 ? -11.144 44.279 -5.367  1.000 30.203  0 125 ASP BBB HB3  1 c 2 
ATOM   3597 N N    . VAL B 2 145 ? -9.187  42.587 -2.254  1.000 21.806  0 126 VAL BBB N    1 ? 2 
ATOM   3598 C CA   . VAL B 2 145 ? -8.419  41.614 -1.435  1.000 22.479  0 126 VAL BBB CA   1 ? 2 
ATOM   3599 C C    . VAL B 2 145 ? -9.099  41.362 -0.075  1.000 23.163  0 126 VAL BBB C    1 ? 2 
ATOM   3600 O O    . VAL B 2 145 ? -9.185  40.201 0.362   1.000 22.190  0 126 VAL BBB O    1 ? 2 
ATOM   3601 C CB   . VAL B 2 145 ? -6.982  42.116 -1.232  1.000 22.225  0 126 VAL BBB CB   1 ? 2 
ATOM   3602 C CG1  . VAL B 2 145 ? -6.241  41.277 -0.232  1.000 23.232  0 126 VAL BBB CG1  1 ? 2 
ATOM   3603 C CG2  . VAL B 2 145 ? -6.219  42.206 -2.543  1.000 22.899  0 126 VAL BBB CG2  1 ? 2 
ATOM   3604 H H    . VAL B 2 145 ? -8.743  43.364 -2.419  1.000 22.271  0 126 VAL BBB H    1 c 2 
ATOM   3605 H HA   . VAL B 2 145 ? -8.384  40.770 -1.920  1.000 22.214  0 126 VAL BBB HA   1 c 2 
ATOM   3606 H HB   . VAL B 2 145 ? -7.043  43.031 -0.862  1.000 22.812  0 126 VAL BBB HB   1 c 2 
ATOM   3607 H HG11 . VAL B 2 145 ? -6.497  41.541 0.669   1.000 23.103  0 126 VAL BBB HG11 1 c 2 
ATOM   3608 H HG12 . VAL B 2 145 ? -5.284  41.407 -0.344  1.000 22.815  0 126 VAL BBB HG12 1 c 2 
ATOM   3609 H HG13 . VAL B 2 145 ? -6.458  40.339 -0.369  1.000 22.809  0 126 VAL BBB HG13 1 c 2 
ATOM   3610 H HG21 . VAL B 2 145 ? -6.230  41.339 -2.985  1.000 22.475  0 126 VAL BBB HG21 1 c 2 
ATOM   3611 H HG22 . VAL B 2 145 ? -5.298  42.467 -2.367  1.000 22.587  0 126 VAL BBB HG22 1 c 2 
ATOM   3612 H HG23 . VAL B 2 145 ? -6.636  42.867 -3.120  1.000 22.743  0 126 VAL BBB HG23 1 c 2 
ATOM   3613 N N    . ALA B 2 146 ? -9.431  42.430 0.649   1.000 23.595  0 127 ALA BBB N    1 ? 2 
ATOM   3614 C CA   . ALA B 2 146 ? -9.996  42.313 2.031   1.000 24.565  0 127 ALA BBB CA   1 ? 2 
ATOM   3615 C C    . ALA B 2 146 ? -11.297 41.514 1.957   1.000 23.834  0 127 ALA BBB C    1 ? 2 
ATOM   3616 O O    . ALA B 2 146 ? -11.485 40.607 2.751   1.000 23.792  0 127 ALA BBB O    1 ? 2 
ATOM   3617 C CB   . ALA B 2 146 ? -10.275 43.671 2.644   1.000 24.003  0 127 ALA BBB CB   1 ? 2 
ATOM   3618 H H    . ALA B 2 146 ? -9.341  43.292 0.369   1.000 23.789  0 127 ALA BBB H    1 c 2 
ATOM   3619 H HA   . ALA B 2 146 ? -9.353  41.826 2.599   1.000 24.052  0 127 ALA BBB HA   1 c 2 
ATOM   3620 H HB1  . ALA B 2 146 ? -10.664 43.555 3.527   1.000 24.520  0 127 ALA BBB HB1  1 c 2 
ATOM   3621 H HB2  . ALA B 2 146 ? -9.444  44.170 2.720   1.000 24.267  0 127 ALA BBB HB2  1 c 2 
ATOM   3622 H HB3  . ALA B 2 146 ? -10.895 44.161 2.079   1.000 24.356  0 127 ALA BBB HB3  1 c 2 
ATOM   3623 N N    . ARG B 2 147 ? -12.112 41.782 0.942   1.000 25.366  0 128 ARG BBB N    1 ? 2 
ATOM   3624 C CA   . ARG B 2 147 ? -13.395 41.068 0.812   1.000 28.798  0 128 ARG BBB CA   1 ? 2 
ATOM   3625 C C    . ARG B 2 147 ? -13.102 39.580 0.541   1.000 28.802  0 128 ARG BBB C    1 ? 2 
ATOM   3626 O O    . ARG B 2 147 ? -13.783 38.744 1.091   1.000 26.824  0 128 ARG BBB O    1 ? 2 
ATOM   3627 C CB   . ARG B 2 147 ? -14.271 41.693 -0.274  1.000 30.230  0 128 ARG BBB CB   1 ? 2 
ATOM   3628 C CG   . ARG B 2 147 ? -14.930 43.010 0.125   1.000 36.044  0 128 ARG BBB CG   1 ? 2 
ATOM   3629 C CD   . ARG B 2 147 ? -15.890 43.562 -0.940  1.000 39.917  0 128 ARG BBB CD   1 ? 2 
ATOM   3630 N NE   . ARG B 2 147 ? -15.382 43.409 -2.329  1.000 41.551  0 128 ARG BBB NE   1 ? 2 
ATOM   3631 C CZ   . ARG B 2 147 ? -14.930 44.419 -3.071  1.000 41.774  0 128 ARG BBB CZ   1 ? 2 
ATOM   3632 N NH1  . ARG B 2 147 ? -14.945 45.646 -2.572  1.000 41.198  0 128 ARG BBB NH1  1 ? 2 
ATOM   3633 N NH2  . ARG B 2 147 ? -14.434 44.204 -4.284  1.000 43.387  0 128 ARG BBB NH2  1 ? 2 
ATOM   3634 H H    . ARG B 2 147 ? -11.941 42.403 0.299   1.000 25.696  0 128 ARG BBB H    1 c 2 
ATOM   3635 H HA   . ARG B 2 147 ? -13.871 41.138 1.672   1.000 28.632  0 128 ARG BBB HA   1 c 2 
ATOM   3636 H HB2  . ARG B 2 147 ? -13.718 41.845 -1.069  1.000 30.934  0 128 ARG BBB HB2  1 c 2 
ATOM   3637 H HB3  . ARG B 2 147 ? -14.972 41.052 -0.516  1.000 31.167  0 128 ARG BBB HB3  1 c 2 
ATOM   3638 H HG2  . ARG B 2 147 ? -15.430 42.876 0.957   1.000 35.730  0 128 ARG BBB HG2  1 c 2 
ATOM   3639 H HG3  . ARG B 2 147 ? -14.235 43.679 0.300   1.000 35.400  0 128 ARG BBB HG3  1 c 2 
ATOM   3640 H HD2  . ARG B 2 147 ? -16.747 43.088 -0.865  1.000 39.611  0 128 ARG BBB HD2  1 c 2 
ATOM   3641 H HD3  . ARG B 2 147 ? -16.062 44.507 -0.754  1.000 39.668  0 128 ARG BBB HD3  1 c 2 
ATOM   3642 H HE   . ARG B 2 147 ? -15.342 42.606 -2.666  1.000 41.015  0 128 ARG BBB HE   1 c 2 
ATOM   3643 H HH11 . ARG B 2 147 ? -15.249 45.797 -1.766  1.000 41.643  0 128 ARG BBB HH11 1 c 2 
ATOM   3644 H HH12 . ARG B 2 147 ? -14.648 46.315 -3.059  1.000 41.542  0 128 ARG BBB HH12 1 c 2 
ATOM   3645 H HH21 . ARG B 2 147 ? -14.432 43.389 -4.620  1.000 42.536  0 128 ARG BBB HH21 1 c 2 
ATOM   3646 H HH22 . ARG B 2 147 ? -14.155 44.883 -4.772  1.000 42.713  0 128 ARG BBB HH22 1 c 2 
ATOM   3647 N N    . TYR B 2 148 ? -12.164 39.272 -0.362  1.000 27.030  0 129 TYR BBB N    1 ? 2 
ATOM   3648 C CA   . TYR B 2 148 ? -11.783 37.869 -0.670  1.000 25.373  0 129 TYR BBB CA   1 ? 2 
ATOM   3649 C C    . TYR B 2 148 ? -11.363 37.185 0.621   1.000 24.035  0 129 TYR BBB C    1 ? 2 
ATOM   3650 O O    . TYR B 2 148 ? -11.824 36.069 0.868   1.000 26.883  0 129 TYR BBB O    1 ? 2 
ATOM   3651 C CB   . TYR B 2 148 ? -10.659 37.774 -1.721  1.000 25.208  0 129 TYR BBB CB   1 ? 2 
ATOM   3652 C CG   . TYR B 2 148 ? -10.249 36.341 -2.007  1.000 24.504  0 129 TYR BBB CG   1 ? 2 
ATOM   3653 C CD1  . TYR B 2 148 ? -10.965 35.593 -2.922  1.000 23.574  0 129 TYR BBB CD1  1 ? 2 
ATOM   3654 C CD2  . TYR B 2 148 ? -9.217  35.721 -1.307  1.000 25.761  0 129 TYR BBB CD2  1 ? 2 
ATOM   3655 C CE1  . TYR B 2 148 ? -10.665 34.265 -3.174  1.000 24.129  0 129 TYR BBB CE1  1 ? 2 
ATOM   3656 C CE2  . TYR B 2 148 ? -8.881  34.399 -1.562  1.000 25.619  0 129 TYR BBB CE2  1 ? 2 
ATOM   3657 C CZ   . TYR B 2 148 ? -9.627  33.661 -2.476  1.000 25.568  0 129 TYR BBB CZ   1 ? 2 
ATOM   3658 O OH   . TYR B 2 148 ? -9.330  32.351 -2.782  1.000 24.049  0 129 TYR BBB OH   1 ? 2 
ATOM   3659 H H    . TYR B 2 148 ? -11.701 39.885 -0.851  1.000 26.911  0 129 TYR BBB H    1 c 2 
ATOM   3660 H HA   . TYR B 2 148 ? -12.581 37.400 -1.023  1.000 25.503  0 129 TYR BBB HA   1 c 2 
ATOM   3661 H HB2  . TYR B 2 148 ? -10.968 38.193 -2.552  1.000 25.063  0 129 TYR BBB HB2  1 c 2 
ATOM   3662 H HB3  . TYR B 2 148 ? -9.881  38.274 -1.398  1.000 24.966  0 129 TYR BBB HB3  1 c 2 
ATOM   3663 H HD1  . TYR B 2 148 ? -11.685 35.994 -3.379  1.000 24.193  0 129 TYR BBB HD1  1 c 2 
ATOM   3664 H HD2  . TYR B 2 148 ? -8.722  36.213 -0.674  1.000 25.355  0 129 TYR BBB HD2  1 c 2 
ATOM   3665 H HE1  . TYR B 2 148 ? -11.157 33.776 -3.812  1.000 24.462  0 129 TYR BBB HE1  1 c 2 
ATOM   3666 H HE2  . TYR B 2 148 ? -8.173  33.991 -1.091  1.000 25.434  0 129 TYR BBB HE2  1 c 2 
ATOM   3667 H HH   . TYR B 2 148 ? -9.863  32.063 -3.411  0.000 23.460  0 129 TYR BBB HH   1 c 2 
ATOM   3668 N N    . LEU B 2 149 ? -10.533 37.823 1.425   1.000 24.412  0 130 LEU BBB N    1 ? 2 
ATOM   3669 C CA   . LEU B 2 149 ? -9.952  37.203 2.611   1.000 25.101  0 130 LEU BBB CA   1 ? 2 
ATOM   3670 C C    . LEU B 2 149 ? -11.035 37.025 3.695   1.000 29.896  0 130 LEU BBB C    1 ? 2 
ATOM   3671 O O    . LEU B 2 149 ? -11.003 35.986 4.397   1.000 32.627  0 130 LEU BBB O    1 ? 2 
ATOM   3672 C CB   . LEU B 2 149 ? -8.798  38.057 3.113   1.000 24.764  0 130 LEU BBB CB   1 ? 2 
ATOM   3673 C CG   . LEU B 2 149 ? -7.532  38.027 2.264   1.000 25.060  0 130 LEU BBB CG   1 ? 2 
ATOM   3674 C CD1  . LEU B 2 149 ? -6.651  39.201 2.602   1.000 25.263  0 130 LEU BBB CD1  1 ? 2 
ATOM   3675 C CD2  . LEU B 2 149 ? -6.748  36.725 2.442   1.000 24.308  0 130 LEU BBB CD2  1 ? 2 
ATOM   3676 H H    . LEU B 2 149 ? -10.272 38.684 1.284   1.000 24.465  0 130 LEU BBB H    1 c 2 
ATOM   3677 H HA   . LEU B 2 149 ? -9.612  36.314 2.359   1.000 25.554  0 130 LEU BBB HA   1 c 2 
ATOM   3678 H HB2  . LEU B 2 149 ? -9.107  38.983 3.179   1.000 25.112  0 130 LEU BBB HB2  1 c 2 
ATOM   3679 H HB3  . LEU B 2 149 ? -8.569  37.760 4.017   1.000 25.153  0 130 LEU BBB HB3  1 c 2 
ATOM   3680 H HG   . LEU B 2 149 ? -7.796  38.102 1.314   1.000 24.696  0 130 LEU BBB HG   1 c 2 
ATOM   3681 H HD11 . LEU B 2 149 ? -7.130  40.029 2.424   1.000 25.306  0 130 LEU BBB HD11 1 c 2 
ATOM   3682 H HD12 . LEU B 2 149 ? -5.845  39.170 2.058   1.000 25.035  0 130 LEU BBB HD12 1 c 2 
ATOM   3683 H HD13 . LEU B 2 149 ? -6.408  39.165 3.543   1.000 25.407  0 130 LEU BBB HD13 1 c 2 
ATOM   3684 H HD21 . LEU B 2 149 ? -6.554  36.589 3.385   1.000 24.689  0 130 LEU BBB HD21 1 c 2 
ATOM   3685 H HD22 . LEU B 2 149 ? -5.914  36.778 1.944   1.000 24.342  0 130 LEU BBB HD22 1 c 2 
ATOM   3686 H HD23 . LEU B 2 149 ? -7.277  35.979 2.109   1.000 24.469  0 130 LEU BBB HD23 1 c 2 
ATOM   3687 N N    . ARG B 2 150 ? -11.950 37.979 3.851   1.000 32.678  0 131 ARG BBB N    1 ? 2 
ATOM   3688 C CA   . ARG B 2 150 ? -13.031 37.887 4.880   1.000 34.681  0 131 ARG BBB CA   1 ? 2 
ATOM   3689 C C    . ARG B 2 150 ? -13.940 36.693 4.535   1.000 33.275  0 131 ARG BBB C    1 ? 2 
ATOM   3690 O O    . ARG B 2 150 ? -14.178 35.858 5.439   1.000 34.107  0 131 ARG BBB O    1 ? 2 
ATOM   3691 C CB   . ARG B 2 150 ? -13.706 39.260 5.032   1.000 37.297  0 131 ARG BBB CB   1 ? 2 
ATOM   3692 C CG   . ARG B 2 150 ? -12.896 40.201 5.924   1.000 41.998  0 131 ARG BBB CG   1 ? 2 
ATOM   3693 C CD   . ARG B 2 150 ? -13.503 41.572 6.211   1.000 51.863  0 131 ARG BBB CD   1 ? 2 
ATOM   3694 N NE   . ARG B 2 150 ? -14.471 42.025 5.186   1.000 58.341  0 131 ARG BBB NE   1 ? 2 
ATOM   3695 C CZ   . ARG B 2 150 ? -14.379 43.118 4.403   1.000 59.180  0 131 ARG BBB CZ   1 ? 2 
ATOM   3696 N NH1  . ARG B 2 150 ? -13.360 43.966 4.492   1.000 56.506  0 131 ARG BBB NH1  1 ? 2 
ATOM   3697 N NH2  . ARG B 2 150 ? -15.344 43.343 3.521   1.000 60.542  0 131 ARG BBB NH2  1 ? 2 
ATOM   3698 H H    . ARG B 2 150 ? -11.968 38.739 3.349   1.000 32.363  0 131 ARG BBB H    1 c 2 
ATOM   3699 H HA   . ARG B 2 150 ? -12.594 37.679 5.738   1.000 34.670  0 131 ARG BBB HA   1 c 2 
ATOM   3700 H HB2  . ARG B 2 150 ? -13.812 39.665 4.146   1.000 37.597  0 131 ARG BBB HB2  1 c 2 
ATOM   3701 H HB3  . ARG B 2 150 ? -14.597 39.136 5.421   1.000 38.003  0 131 ARG BBB HB3  1 c 2 
ATOM   3702 H HG2  . ARG B 2 150 ? -12.740 39.754 6.783   1.000 43.009  0 131 ARG BBB HG2  1 c 2 
ATOM   3703 H HG3  . ARG B 2 150 ? -12.019 40.339 5.509   1.000 42.580  0 131 ARG BBB HG3  1 c 2 
ATOM   3704 H HD2  . ARG B 2 150 ? -13.956 41.540 7.080   1.000 51.119  0 131 ARG BBB HD2  1 c 2 
ATOM   3705 H HD3  . ARG B 2 150 ? -12.780 42.226 6.282   1.000 50.787  0 131 ARG BBB HD3  1 c 2 
ATOM   3706 H HE   . ARG B 2 150 ? -15.169 41.518 5.061   1.000 57.051  0 131 ARG BBB HE   1 c 2 
ATOM   3707 H HH11 . ARG B 2 150 ? -12.713 43.824 5.066   1.000 57.297  0 131 ARG BBB HH11 1 c 2 
ATOM   3708 H HH12 . ARG B 2 150 ? -13.332 44.671 3.967   1.000 57.320  0 131 ARG BBB HH12 1 c 2 
ATOM   3709 H HH21 . ARG B 2 150 ? -16.026 42.788 3.462   1.000 59.895  0 131 ARG BBB HH21 1 c 2 
ATOM   3710 H HH22 . ARG B 2 150 ? -15.310 44.057 3.007   1.000 59.756  0 131 ARG BBB HH22 1 c 2 
ATOM   3711 N N    . ALA B 2 151 ? -14.305 36.537 3.249   1.000 31.217  0 132 ALA BBB N    1 ? 2 
ATOM   3712 C CA   . ALA B 2 151 ? -15.135 35.431 2.702   1.000 31.610  0 132 ALA BBB CA   1 ? 2 
ATOM   3713 C C    . ALA B 2 151 ? -14.424 34.063 2.846   1.000 33.791  0 132 ALA BBB C    1 ? 2 
ATOM   3714 O O    . ALA B 2 151 ? -15.093 33.083 3.140   1.000 37.896  0 132 ALA BBB O    1 ? 2 
ATOM   3715 C CB   . ALA B 2 151 ? -15.469 35.713 1.271   1.000 27.945  0 132 ALA BBB CB   1 ? 2 
ATOM   3716 H H    . ALA B 2 151 ? -14.061 37.128 2.601   1.000 31.551  0 132 ALA BBB H    1 c 2 
ATOM   3717 H HA   . ALA B 2 151 ? -15.975 35.395 3.217   1.000 31.558  0 132 ALA BBB HA   1 c 2 
ATOM   3718 H HB1  . ALA B 2 151 ? -16.033 35.002 0.922   1.000 29.071  0 132 ALA BBB HB1  1 c 2 
ATOM   3719 H HB2  . ALA B 2 151 ? -15.941 36.560 1.207   1.000 29.110  0 132 ALA BBB HB2  1 c 2 
ATOM   3720 H HB3  . ALA B 2 151 ? -14.650 35.760 0.748   1.000 28.708  0 132 ALA BBB HB3  1 c 2 
ATOM   3721 N N    . ALA B 2 152 ? -13.111 33.972 2.613   1.000 36.360  0 133 ALA BBB N    1 ? 2 
ATOM   3722 C CA   . ALA B 2 152 ? -12.342 32.691 2.643   1.000 38.454  0 133 ALA BBB CA   1 ? 2 
ATOM   3723 C C    . ALA B 2 152 ? -12.282 32.165 4.076   1.000 42.161  0 133 ALA BBB C    1 ? 2 
ATOM   3724 O O    . ALA B 2 152 ? -12.292 30.950 4.244   1.000 45.444  0 133 ALA BBB O    1 ? 2 
ATOM   3725 C CB   . ALA B 2 152 ? -10.963 32.836 2.047   1.000 33.467  0 133 ALA BBB CB   1 ? 2 
ATOM   3726 H H    . ALA B 2 152 ? -12.586 34.689 2.416   1.000 35.983  0 133 ALA BBB H    1 c 2 
ATOM   3727 H HA   . ALA B 2 152 ? -12.838 32.032 2.103   1.000 37.743  0 133 ALA BBB HA   1 c 2 
ATOM   3728 H HB1  . ALA B 2 152 ? -10.507 31.978 2.069   1.000 34.766  0 133 ALA BBB HB1  1 c 2 
ATOM   3729 H HB2  . ALA B 2 152 ? -11.037 33.139 1.126   1.000 34.663  0 133 ALA BBB HB2  1 c 2 
ATOM   3730 H HB3  . ALA B 2 152 ? -10.454 33.486 2.560   1.000 34.798  0 133 ALA BBB HB3  1 c 2 
ATOM   3731 N N    . ALA B 2 153 ? -12.217 33.046 5.065   1.000 50.162  0 134 ALA BBB N    1 ? 2 
ATOM   3732 C CA   . ALA B 2 153 ? -12.254 32.707 6.510   1.000 59.865  0 134 ALA BBB CA   1 ? 2 
ATOM   3733 C C    . ALA B 2 153 ? -13.557 31.966 6.836   1.000 64.501  0 134 ALA BBB C    1 ? 2 
ATOM   3734 O O    . ALA B 2 153 ? -14.575 32.549 7.194   1.000 74.644  0 134 ALA BBB O    1 ? 2 
ATOM   3735 C CB   . ALA B 2 153 ? -12.093 33.959 7.346   1.000 61.701  0 134 ALA BBB CB   1 ? 2 
ATOM   3736 H H    . ALA B 2 153 ? -12.133 33.942 4.924   1.000 50.060  0 134 ALA BBB H    1 c 2 
ATOM   3737 H HA   . ALA B 2 153 ? -11.500 32.102 6.703   1.000 58.964  0 134 ALA BBB HA   1 c 2 
ATOM   3738 H HB1  . ALA B 2 153 ? -12.116 33.725 8.290   1.000 61.489  0 134 ALA BBB HB1  1 c 2 
ATOM   3739 H HB2  . ALA B 2 153 ? -11.243 34.382 7.139   1.000 60.974  0 134 ALA BBB HB2  1 c 2 
ATOM   3740 H HB3  . ALA B 2 153 ? -12.817 34.577 7.151   1.000 61.200  0 134 ALA BBB HB3  1 c 2 
HETATM 3741 O O    . HOH C 3 .   ? -2.547  28.334 -13.378 1.000 36.371  0 201 HOH AAA O    1 ? ? 
HETATM 3742 O O    . HOH C 3 .   ? 2.778   15.200 7.355   1.000 36.534  0 202 HOH AAA O    1 ? ? 
HETATM 3743 O O    . HOH C 3 .   ? -14.446 7.956  -5.554  1.000 25.478  0 203 HOH AAA O    1 ? ? 
HETATM 3744 O O    . HOH C 3 .   ? -4.457  3.140  -1.427  1.000 31.127  0 204 HOH AAA O    1 ? ? 
HETATM 3745 O O    . HOH C 3 .   ? 7.496   18.485 -7.632  1.000 39.341  0 205 HOH AAA O    1 ? ? 
HETATM 3746 O O    . HOH C 3 .   ? -5.978  29.219 5.556   1.000 23.636  0 206 HOH AAA O    1 ? ? 
HETATM 3747 O O    . HOH C 3 .   ? -14.714 13.490 -2.855  1.000 22.692  0 207 HOH AAA O    1 ? ? 
HETATM 3748 O O    . HOH C 3 .   ? -14.505 0.582  1.814   1.000 31.073  0 208 HOH AAA O    1 ? ? 
HETATM 3749 O O    . HOH C 3 .   ? -14.804 5.583  -4.137  1.000 39.580  0 209 HOH AAA O    1 ? ? 
HETATM 3750 O O    . HOH C 3 .   ? -8.712  -5.496 6.327   1.000 23.197  0 210 HOH AAA O    1 ? ? 
HETATM 3751 O O    . HOH C 3 .   ? -1.061  0.577  12.557  1.000 34.022  0 211 HOH AAA O    1 ? ? 
HETATM 3752 O O    . HOH C 3 .   ? 0.440   13.505 11.180  1.000 28.863  0 212 HOH AAA O    1 ? ? 
HETATM 3753 O O    . HOH C 3 .   ? 0.798   9.409  2.963   1.000 25.365  0 213 HOH AAA O    1 ? ? 
HETATM 3754 O O    . HOH C 3 .   ? -10.505 27.035 2.678   1.000 27.263  0 214 HOH AAA O    1 ? ? 
HETATM 3755 O O    . HOH C 3 .   ? 4.145   25.665 2.166   1.000 19.596  0 215 HOH AAA O    1 ? ? 
HETATM 3756 O O    . HOH C 3 .   ? 0.029   16.413 -9.331  1.000 35.006  0 216 HOH AAA O    1 ? ? 
HETATM 3757 O O    . HOH C 3 .   ? -5.786  0.231  2.503   1.000 20.931  0 217 HOH AAA O    1 ? ? 
HETATM 3758 O O    . HOH C 3 .   ? -9.663  10.081 -11.608 1.000 27.211  0 218 HOH AAA O    1 ? ? 
HETATM 3759 O O    . HOH C 3 .   ? -5.768  2.317  -3.332  1.000 19.653  0 219 HOH AAA O    1 ? ? 
HETATM 3760 O O    . HOH C 3 .   ? -11.438 24.042 7.822   1.000 43.277  0 220 HOH AAA O    1 ? ? 
HETATM 3761 O O    . HOH C 3 .   ? -17.670 13.334 10.852  1.000 35.759  0 221 HOH AAA O    1 ? ? 
HETATM 3762 O O    . HOH C 3 .   ? 4.130   14.592 -0.225  1.000 23.584  0 222 HOH AAA O    1 ? ? 
HETATM 3763 O O    . HOH C 3 .   ? 4.979   16.353 3.467   1.000 31.937  0 223 HOH AAA O    1 ? ? 
HETATM 3764 O O    . HOH C 3 .   ? 5.727   14.295 -5.697  1.000 38.912  0 224 HOH AAA O    1 ? ? 
HETATM 3765 O O    . HOH C 3 .   ? -19.467 5.428  8.582   1.000 35.118  0 225 HOH AAA O    1 ? ? 
HETATM 3766 O O    . HOH C 3 .   ? -4.039  9.979  -11.114 1.000 35.083  0 226 HOH AAA O    1 ? ? 
HETATM 3767 O O    . HOH C 3 .   ? -0.931  18.597 -14.927 1.000 39.162  0 227 HOH AAA O    1 ? ? 
HETATM 3768 O O    . HOH C 3 .   ? -0.179  15.149 -6.517  1.000 33.665  0 228 HOH AAA O    1 ? ? 
HETATM 3769 O O    . HOH C 3 .   ? 1.561   25.769 6.981   1.000 40.404  0 229 HOH AAA O    1 ? ? 
HETATM 3770 O O    . HOH C 3 .   ? 0.357   17.966 -7.443  1.000 46.892  0 230 HOH AAA O    1 ? ? 
HETATM 3771 O O    . HOH C 3 .   ? -0.299  4.449  -6.077  1.000 35.846  0 231 HOH AAA O    1 ? ? 
HETATM 3772 O O    . HOH C 3 .   ? -13.695 20.858 8.948   1.000 37.910  0 232 HOH AAA O    1 ? ? 
HETATM 3773 O O    . HOH C 3 .   ? -2.865  -3.571 9.548   1.000 37.698  0 233 HOH AAA O    1 ? ? 
HETATM 3774 O O    . HOH C 3 .   ? -0.788  20.091 11.745  1.000 39.365  0 234 HOH AAA O    1 ? ? 
HETATM 3775 O O    . HOH C 3 .   ? -13.531 27.094 -0.738  1.000 31.780  0 235 HOH AAA O    1 ? ? 
HETATM 3776 O O    . HOH C 3 .   ? -4.408  0.000  0.000   0.500 28.487  0 236 HOH AAA O    1 ? ? 
HETATM 3777 O O    . HOH C 3 .   ? -8.744  29.376 3.699   1.000 29.011  0 237 HOH AAA O    1 ? ? 
HETATM 3778 O O    . HOH C 3 .   ? -4.924  19.578 -17.633 1.000 33.432  0 238 HOH AAA O    1 ? ? 
HETATM 3779 O O    . HOH C 3 .   ? -6.804  20.298 8.767   1.000 42.139  0 239 HOH AAA O    1 ? ? 
HETATM 3780 O O    . HOH C 3 .   ? -8.142  21.287 10.330  1.000 48.342  0 240 HOH AAA O    1 ? ? 
HETATM 3781 O O    . HOH C 3 .   ? -0.733  20.059 -17.250 1.000 29.235  0 241 HOH AAA O    1 ? ? 
HETATM 3782 O O    . HOH C 3 .   ? -3.753  17.924 -19.414 1.000 39.598  0 242 HOH AAA O    1 ? ? 
HETATM 3783 O O    . HOH C 3 .   ? -6.382  5.308  -7.890  1.000 39.340  0 243 HOH AAA O    1 ? ? 
HETATM 3784 O O    . HOH D 3 .   ? 16.626  27.937 -7.342  1.000 31.179  0 201 HOH BBB O    1 ? ? 
HETATM 3785 O O    . HOH D 3 .   ? 7.832   24.930 -17.105 1.000 54.847  0 202 HOH BBB O    1 ? ? 
HETATM 3786 O O    . HOH D 3 .   ? 9.207   28.372 -1.425  1.000 30.339  0 203 HOH BBB O    1 ? ? 
HETATM 3787 O O    . HOH D 3 .   ? 18.074  36.237 -13.219 1.000 33.229  0 204 HOH BBB O    1 ? ? 
HETATM 3788 O O    . HOH D 3 .   ? -10.165 49.702 4.331   1.000 23.989  0 205 HOH BBB O    1 ? ? 
HETATM 3789 O O    . HOH D 3 .   ? -6.399  45.963 -4.580  1.000 35.435  0 206 HOH BBB O    1 ? ? 
HETATM 3790 O O    . HOH D 3 .   ? 3.866   23.796 -5.363  1.000 18.357  0 207 HOH BBB O    1 ? ? 
HETATM 3791 O O    . HOH D 3 .   ? 5.440   34.494 -22.278 1.000 21.574  0 208 HOH BBB O    1 ? ? 
HETATM 3792 O O    . HOH D 3 .   ? 0.684   31.677 4.250   1.000 22.529  0 209 HOH BBB O    1 ? ? 
HETATM 3793 O O    . HOH D 3 .   ? 13.516  23.068 -11.422 1.000 31.074  0 210 HOH BBB O    1 ? ? 
HETATM 3794 O O    . HOH D 3 .   ? -6.200  43.363 -7.169  1.000 28.171  0 211 HOH BBB O    1 ? ? 
HETATM 3795 O O    . HOH D 3 .   ? 9.989   29.612 -3.706  1.000 18.003  0 212 HOH BBB O    1 ? ? 
HETATM 3796 O O    . HOH D 3 .   ? 0.969   47.641 -5.038  1.000 30.473  0 213 HOH BBB O    1 ? ? 
HETATM 3797 O O    . HOH D 3 .   ? 8.062   20.956 -1.298  1.000 31.500  0 214 HOH BBB O    1 ? ? 
HETATM 3798 O O    . HOH D 3 .   ? 6.006   42.781 -5.365  1.000 20.046  0 215 HOH BBB O    1 ? ? 
HETATM 3799 O O    . HOH D 3 .   ? 3.855   37.750 -18.668 1.000 34.693  0 216 HOH BBB O    1 ? ? 
HETATM 3800 O O    . HOH D 3 .   ? -16.131 47.102 -0.678  1.000 31.684  0 217 HOH BBB O    1 ? ? 
HETATM 3801 O O    . HOH D 3 .   ? 6.855   37.392 0.658   1.000 22.806  0 218 HOH BBB O    1 ? ? 
HETATM 3802 O O    . HOH D 3 .   ? 1.954   32.675 1.898   1.000 18.485  0 219 HOH BBB O    1 ? ? 
HETATM 3803 O O    . HOH D 3 .   ? -3.697  28.985 -9.555  1.000 25.286  0 220 HOH BBB O    1 ? ? 
HETATM 3804 O O    . HOH D 3 .   ? 16.205  30.267 -5.937  1.000 28.210  0 221 HOH BBB O    1 ? ? 
HETATM 3805 O O    . HOH D 3 .   ? 9.530   42.573 -6.900  1.000 36.857  0 222 HOH BBB O    1 ? ? 
HETATM 3806 O O    . HOH D 3 .   ? 8.126   36.210 2.743   1.000 26.907  0 223 HOH BBB O    1 ? ? 
HETATM 3807 O O    . HOH D 3 .   ? 4.192   29.860 7.544   1.000 37.446  0 224 HOH BBB O    1 ? ? 
HETATM 3808 O O    . HOH D 3 .   ? 11.406  30.420 -21.488 1.000 24.256  0 225 HOH BBB O    1 ? ? 
HETATM 3809 O O    . HOH D 3 .   ? 16.845  37.557 -4.777  1.000 37.505  0 226 HOH BBB O    1 ? ? 
HETATM 3810 O O    . HOH D 3 .   ? -7.513  38.505 -14.172 1.000 32.280  0 227 HOH BBB O    1 ? ? 
HETATM 3811 O O    . HOH D 3 .   ? 3.649   42.718 4.136   1.000 41.770  0 228 HOH BBB O    1 ? ? 
HETATM 3812 O O    . HOH D 3 .   ? -7.078  24.201 -3.173  1.000 18.460  0 229 HOH BBB O    1 ? ? 
HETATM 3813 O O    . HOH D 3 .   ? -1.835  39.600 -9.513  1.000 38.886  0 230 HOH BBB O    1 ? ? 
HETATM 3814 O O    . HOH D 3 .   ? 16.512  38.372 -14.446 1.000 32.592  0 231 HOH BBB O    1 ? ? 
HETATM 3815 O O    . HOH D 3 .   ? -10.592 51.761 -0.208  1.000 25.882  0 232 HOH BBB O    1 ? ? 
HETATM 3816 O O    . HOH D 3 .   ? 6.244   25.971 -18.386 1.000 38.866  0 233 HOH BBB O    1 ? ? 
HETATM 3817 O O    . HOH D 3 .   ? -6.068  37.150 6.527   1.000 24.927  0 234 HOH BBB O    1 ? ? 
HETATM 3818 O O    . HOH D 3 .   ? -2.404  27.842 -7.495  1.000 17.972  0 235 HOH BBB O    1 ? ? 
HETATM 3819 O O    . HOH D 3 .   ? -13.020 40.231 -4.134  1.000 32.744  0 236 HOH BBB O    1 ? ? 
HETATM 3820 O O    . HOH D 3 .   ? 4.348   43.962 -8.262  1.000 33.093  0 237 HOH BBB O    1 ? ? 
HETATM 3821 O O    . HOH D 3 .   ? 8.837   36.948 -19.935 1.000 27.550  0 238 HOH BBB O    1 ? ? 
HETATM 3822 O O    . HOH D 3 .   ? 13.316  23.181 -4.428  1.000 36.900  0 239 HOH BBB O    1 ? ? 
HETATM 3823 O O    . HOH D 3 .   ? 5.703   25.667 -20.257 1.000 55.687  0 240 HOH BBB O    1 ? ? 
HETATM 3824 O O    . HOH D 3 .   ? -5.226  41.440 -9.105  1.000 35.428  0 241 HOH BBB O    1 ? ? 
HETATM 3825 O O    . HOH D 3 .   ? 11.443  36.897 -19.187 1.000 28.060  0 242 HOH BBB O    1 ? ? 
HETATM 3826 O O    . HOH D 3 .   ? 0.811   37.965 -14.543 1.000 25.577  0 243 HOH BBB O    1 ? ? 
HETATM 3827 O O    . HOH D 3 .   ? 6.272   21.269 -14.321 1.000 40.207  0 244 HOH BBB O    1 ? ? 
HETATM 3828 O O    . HOH D 3 .   ? 21.059  34.647 -16.306 0.500 56.266  0 245 HOH BBB O    1 ? ? 
HETATM 3829 O O    . HOH D 3 .   ? 30.149  25.113 -4.367  1.000 45.657  0 246 HOH BBB O    1 ? ? 
HETATM 3830 O O    . HOH D 3 .   ? -9.063  25.359 -4.645  1.000 34.111  0 247 HOH BBB 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    . GLN A 1   ? 0.705 0.552 0.585 0.000  -0.067 0.052  1   GLN AAA N    
2    C CA   . GLN A 1   ? 0.695 0.570 0.606 0.001  -0.065 0.052  1   GLN AAA CA   
3    C C    . GLN A 1   ? 0.623 0.509 0.538 -0.001 -0.055 0.049  1   GLN AAA C    
4    O O    . GLN A 1   ? 0.619 0.490 0.514 -0.002 -0.053 0.049  1   GLN AAA O    
5    C CB   . GLN A 1   ? 0.821 0.700 0.748 0.001  -0.080 0.054  1   GLN AAA CB   
6    C CG   . GLN A 1   ? 0.931 0.832 0.882 0.001  -0.078 0.053  1   GLN AAA CG   
7    C CD   . GLN A 1   ? 1.017 0.919 0.981 0.001  -0.092 0.055  1   GLN AAA CD   
8    O OE1  . GLN A 1   ? 1.090 0.983 1.054 0.002  -0.104 0.057  1   GLN AAA OE1  
9    N NE2  . GLN A 1   ? 1.046 0.961 1.023 -0.000 -0.089 0.054  1   GLN AAA NE2  
10   H H1   . GLN A 1   ? 0.722 0.560 0.598 0.001  -0.077 0.054  1   GLN AAA H1   
11   H H2   . GLN A 1   ? 0.719 0.557 0.587 -0.001 -0.066 0.052  1   GLN AAA H2   
12   H H3   . GLN A 1   ? 0.713 0.556 0.586 0.000  -0.059 0.051  1   GLN AAA H3   
13   H HA   . GLN A 1   ? 0.693 0.576 0.613 0.001  -0.060 0.052  1   GLN AAA HA   
14   H HB2  . GLN A 1   ? 0.815 0.696 0.750 0.003  -0.083 0.055  1   GLN AAA HB2  
15   H HB3  . GLN A 1   ? 0.832 0.696 0.744 0.001  -0.087 0.055  1   GLN AAA HB3  
16   H HG2  . GLN A 1   ? 0.914 0.814 0.857 -0.000 -0.072 0.052  1   GLN AAA HG2  
17   H HG3  . GLN A 1   ? 0.901 0.816 0.867 0.002  -0.072 0.053  1   GLN AAA HG3  
18   H HE21 . GLN A 1   ? 1.034 0.950 1.019 -0.001 -0.097 0.055  1   GLN AAA HE21 
19   H HE22 . GLN A 1   ? 1.023 0.945 1.001 -0.001 -0.081 0.053  1   GLN AAA HE22 
20   N N    . VAL A 2   ? 0.530 0.438 0.467 -0.001 -0.048 0.048  2   VAL AAA N    
21   C CA   . VAL A 2   ? 0.515 0.436 0.458 -0.002 -0.040 0.046  2   VAL AAA CA   
22   C C    . VAL A 2   ? 0.502 0.431 0.459 -0.002 -0.048 0.047  2   VAL AAA C    
23   O O    . VAL A 2   ? 0.499 0.439 0.475 -0.001 -0.052 0.049  2   VAL AAA O    
24   C CB   . VAL A 2   ? 0.490 0.427 0.446 -0.002 -0.029 0.045  2   VAL AAA CB   
25   C CG1  . VAL A 2   ? 0.479 0.422 0.435 -0.002 -0.022 0.043  2   VAL AAA CG1  
26   C CG2  . VAL A 2   ? 0.495 0.425 0.442 -0.002 -0.024 0.044  2   VAL AAA CG2  
27   H H    . VAL A 2   ? 0.536 0.453 0.486 0.000  -0.048 0.049  2   VAL AAA H    
28   H HA   . VAL A 2   ? 0.524 0.433 0.452 -0.003 -0.038 0.046  2   VAL AAA HA   
29   H HB   . VAL A 2   ? 0.479 0.427 0.450 -0.001 -0.031 0.045  2   VAL AAA HB   
30   H HG11 . VAL A 2   ? 0.476 0.424 0.437 -0.002 -0.025 0.043  2   VAL AAA HG11 
31   H HG12 . VAL A 2   ? 0.470 0.423 0.434 -0.002 -0.016 0.041  2   VAL AAA HG12 
32   H HG13 . VAL A 2   ? 0.492 0.423 0.434 -0.003 -0.019 0.042  2   VAL AAA HG13 
33   H HG21 . VAL A 2   ? 0.510 0.425 0.441 -0.002 -0.023 0.044  2   VAL AAA HG21 
34   H HG22 . VAL A 2   ? 0.486 0.425 0.439 -0.002 -0.016 0.042  2   VAL AAA HG22 
35   H HG23 . VAL A 2   ? 0.496 0.426 0.447 -0.001 -0.028 0.045  2   VAL AAA HG23 
36   N N    . GLN A 3   ? 0.475 0.398 0.423 -0.003 -0.048 0.047  3   GLN AAA N    
37   C CA   . GLN A 3   ? 0.493 0.424 0.453 -0.003 -0.053 0.047  3   GLN AAA CA   
38   C C    . GLN A 3   ? 0.408 0.354 0.377 -0.003 -0.042 0.046  3   GLN AAA C    
39   O O    . GLN A 3   ? 0.374 0.314 0.330 -0.003 -0.035 0.044  3   GLN AAA O    
40   C CB   . GLN A 3   ? 0.604 0.517 0.546 -0.004 -0.061 0.048  3   GLN AAA CB   
41   C CG   . GLN A 3   ? 0.781 0.677 0.713 -0.004 -0.074 0.050  3   GLN AAA CG   
42   C CD   . GLN A 3   ? 0.987 0.885 0.931 -0.005 -0.087 0.051  3   GLN AAA CD   
43   O OE1  . GLN A 3   ? 1.094 1.009 1.064 -0.004 -0.090 0.052  3   GLN AAA OE1  
44   N NE2  . GLN A 3   ? 1.113 0.991 1.037 -0.007 -0.096 0.051  3   GLN AAA NE2  
45   H H    . GLN A 3   ? 0.499 0.411 0.431 -0.003 -0.044 0.046  3   GLN AAA H    
46   H HA   . GLN A 3   ? 0.482 0.421 0.456 -0.002 -0.057 0.048  3   GLN AAA HA   
47   H HB2  . GLN A 3   ? 0.619 0.524 0.547 -0.005 -0.056 0.047  3   GLN AAA HB2  
48   H HB3  . GLN A 3   ? 0.607 0.526 0.559 -0.005 -0.064 0.048  3   GLN AAA HB3  
49   H HG2  . GLN A 3   ? 0.775 0.675 0.713 -0.003 -0.073 0.050  3   GLN AAA HG2  
50   H HG3  . GLN A 3   ? 0.797 0.677 0.708 -0.005 -0.074 0.049  3   GLN AAA HG3  
51   H HE21 . GLN A 3   ? 1.085 0.959 1.014 -0.007 -0.106 0.052  3   GLN AAA HE21 
52   H HE22 . GLN A 3   ? 1.087 0.954 0.994 -0.007 -0.092 0.050  3   GLN AAA HE22 
53   N N    . LEU A 4   ? 0.367 0.330 0.356 -0.002 -0.041 0.046  4   LEU AAA N    
54   C CA   . LEU A 4   ? 0.339 0.315 0.336 -0.001 -0.033 0.045  4   LEU AAA CA   
55   C C    . LEU A 4   ? 0.353 0.332 0.357 -0.002 -0.036 0.045  4   LEU AAA C    
56   O O    . LEU A 4   ? 0.367 0.348 0.382 -0.002 -0.043 0.047  4   LEU AAA O    
57   C CB   . LEU A 4   ? 0.330 0.320 0.343 -0.000 -0.029 0.044  4   LEU AAA CB   
58   C CG   . LEU A 4   ? 0.339 0.327 0.346 -0.000 -0.025 0.044  4   LEU AAA CG   
59   C CD1  . LEU A 4   ? 0.353 0.354 0.376 0.000  -0.022 0.043  4   LEU AAA CD1  
60   C CD2  . LEU A 4   ? 0.323 0.309 0.319 -0.001 -0.017 0.042  4   LEU AAA CD2  
61   H H    . LEU A 4   ? 0.367 0.333 0.366 -0.002 -0.046 0.047  4   LEU AAA H    
62   H HA   . LEU A 4   ? 0.349 0.322 0.336 -0.002 -0.028 0.044  4   LEU AAA HA   
63   H HB2  . LEU A 4   ? 0.328 0.321 0.350 -0.000 -0.033 0.046  4   LEU AAA HB2  
64   H HB3  . LEU A 4   ? 0.323 0.321 0.340 -0.000 -0.024 0.044  4   LEU AAA HB3  
65   H HG   . LEU A 4   ? 0.348 0.327 0.349 -0.001 -0.030 0.045  4   LEU AAA HG   
66   H HD11 . LEU A 4   ? 0.344 0.346 0.374 0.001  -0.026 0.045  4   LEU AAA HD11 
67   H HD12 . LEU A 4   ? 0.346 0.346 0.365 0.000  -0.019 0.043  4   LEU AAA HD12 
68   H HD13 . LEU A 4   ? 0.338 0.346 0.364 0.001  -0.018 0.043  4   LEU AAA HD13 
69   H HD21 . LEU A 4   ? 0.320 0.315 0.322 -0.001 -0.014 0.041  4   LEU AAA HD21 
70   H HD22 . LEU A 4   ? 0.330 0.314 0.324 -0.001 -0.015 0.041  4   LEU AAA HD22 
71   H HD23 . LEU A 4   ? 0.338 0.314 0.324 -0.001 -0.019 0.042  4   LEU AAA HD23 
72   N N    . VAL A 5   ? 0.342 0.322 0.341 -0.002 -0.032 0.044  5   VAL AAA N    
73   C CA   . VAL A 5   ? 0.341 0.325 0.347 -0.002 -0.033 0.045  5   VAL AAA CA   
74   C C    . VAL A 5   ? 0.306 0.302 0.319 -0.000 -0.025 0.044  5   VAL AAA C    
75   O O    . VAL A 5   ? 0.295 0.292 0.301 0.001  -0.019 0.043  5   VAL AAA O    
76   C CB   . VAL A 5   ? 0.356 0.324 0.346 -0.003 -0.037 0.045  5   VAL AAA CB   
77   C CG1  . VAL A 5   ? 0.377 0.332 0.360 -0.005 -0.048 0.046  5   VAL AAA CG1  
78   C CG2  . VAL A 5   ? 0.376 0.337 0.350 -0.003 -0.030 0.044  5   VAL AAA CG2  
79   H H    . VAL A 5   ? 0.346 0.324 0.338 -0.001 -0.027 0.044  5   VAL AAA H    
80   H HA   . VAL A 5   ? 0.333 0.320 0.349 -0.002 -0.037 0.046  5   VAL AAA HA   
81   H HB   . VAL A 5   ? 0.358 0.328 0.352 -0.004 -0.038 0.045  5   VAL AAA HB   
82   H HG11 . VAL A 5   ? 0.370 0.331 0.366 -0.005 -0.052 0.047  5   VAL AAA HG11 
83   H HG12 . VAL A 5   ? 0.386 0.330 0.358 -0.006 -0.051 0.046  5   VAL AAA HG12 
84   H HG13 . VAL A 5   ? 0.379 0.330 0.355 -0.005 -0.047 0.046  5   VAL AAA HG13 
85   H HG21 . VAL A 5   ? 0.375 0.333 0.344 -0.003 -0.028 0.043  5   VAL AAA HG21 
86   H HG22 . VAL A 5   ? 0.384 0.333 0.346 -0.004 -0.032 0.044  5   VAL AAA HG22 
87   H HG23 . VAL A 5   ? 0.364 0.332 0.342 -0.002 -0.024 0.043  5   VAL AAA HG23 
88   N N    . GLU A 6   ? 0.296 0.301 0.323 0.000  -0.025 0.045  6   GLU AAA N    
89   C CA   . GLU A 6   ? 0.249 0.265 0.283 0.002  -0.018 0.045  6   GLU AAA CA   
90   C C    . GLU A 6   ? 0.254 0.269 0.287 0.002  -0.017 0.045  6   GLU AAA C    
91   O O    . GLU A 6   ? 0.261 0.271 0.298 0.001  -0.021 0.046  6   GLU AAA O    
92   C CB   . GLU A 6   ? 0.257 0.281 0.305 0.003  -0.017 0.045  6   GLU AAA CB   
93   C CG   . GLU A 6   ? 0.281 0.306 0.330 0.002  -0.018 0.045  6   GLU AAA CG   
94   C CD   . GLU A 6   ? 0.275 0.299 0.336 0.002  -0.022 0.046  6   GLU AAA CD   
95   O OE1  . GLU A 6   ? 0.304 0.324 0.369 0.001  -0.028 0.047  6   GLU AAA OE1  
96   O OE2  . GLU A 6   ? 0.269 0.298 0.337 0.002  -0.019 0.046  6   GLU AAA OE2  
97   H H    . GLU A 6   ? 0.288 0.293 0.322 -0.000 -0.029 0.046  6   GLU AAA H    
98   H HA   . GLU A 6   ? 0.259 0.276 0.287 0.003  -0.014 0.044  6   GLU AAA HA   
99   H HB2  . GLU A 6   ? 0.259 0.283 0.314 0.002  -0.019 0.046  6   GLU AAA HB2  
100  H HB3  . GLU A 6   ? 0.255 0.283 0.303 0.004  -0.012 0.045  6   GLU AAA HB3  
101  H HG2  . GLU A 6   ? 0.269 0.299 0.319 0.003  -0.013 0.044  6   GLU AAA HG2  
102  H HG3  . GLU A 6   ? 0.279 0.298 0.319 0.002  -0.019 0.044  6   GLU AAA HG3  
103  N N    . SER A 7   ? 0.247 0.265 0.276 0.004  -0.011 0.044  7   SER AAA N    
104  C CA   . SER A 7   ? 0.238 0.256 0.266 0.005  -0.008 0.045  7   SER AAA CA   
105  C C    . SER A 7   ? 0.236 0.261 0.265 0.008  -0.003 0.045  7   SER AAA C    
106  O O    . SER A 7   ? 0.236 0.266 0.266 0.009  -0.002 0.044  7   SER AAA O    
107  C CB   . SER A 7   ? 0.257 0.265 0.273 0.005  -0.009 0.045  7   SER AAA CB   
108  O OG   . SER A 7   ? 0.266 0.274 0.275 0.006  -0.005 0.044  7   SER AAA OG   
109  H H    . SER A 7   ? 0.243 0.265 0.271 0.005  -0.008 0.044  7   SER AAA H    
110  H HA   . SER A 7   ? 0.243 0.260 0.276 0.005  -0.010 0.045  7   SER AAA HA   
111  H HB2  . SER A 7   ? 0.258 0.265 0.272 0.005  -0.007 0.045  7   SER AAA HB2  
112  H HB3  . SER A 7   ? 0.262 0.264 0.275 0.003  -0.013 0.045  7   SER AAA HB3  
114  N N    . GLY A 8   ? 0.245 0.270 0.274 0.010  -0.001 0.045  8   GLY AAA N    
115  C CA   . GLY A 8   ? 0.243 0.272 0.270 0.013  0.003  0.046  8   GLY AAA CA   
116  C C    . GLY A 8   ? 0.228 0.260 0.260 0.014  0.006  0.046  8   GLY AAA C    
117  O O    . GLY A 8   ? 0.240 0.273 0.269 0.016  0.008  0.047  8   GLY AAA O    
118  H H    . GLY A 8   ? 0.246 0.267 0.275 0.009  -0.002 0.046  8   GLY AAA H    
119  H HA2  . GLY A 8   ? 0.243 0.270 0.266 0.013  0.005  0.046  8   GLY AAA HA2  
120  H HA3  . GLY A 8   ? 0.237 0.270 0.265 0.013  0.004  0.045  8   GLY AAA HA3  
121  N N    . GLY A 9   ? 0.256 0.286 0.295 0.012  0.005  0.047  9   GLY AAA N    
122  C CA   . GLY A 9   ? 0.258 0.289 0.302 0.013  0.009  0.047  9   GLY AAA CA   
123  C C    . GLY A 9   ? 0.295 0.321 0.338 0.013  0.012  0.048  9   GLY AAA C    
124  O O    . GLY A 9   ? 0.277 0.300 0.316 0.013  0.010  0.048  9   GLY AAA O    
125  H H    . GLY A 9   ? 0.250 0.278 0.292 0.010  0.002  0.047  9   GLY AAA H    
126  H HA2  . GLY A 9   ? 0.265 0.297 0.305 0.015  0.011  0.047  9   GLY AAA HA2  
127  H HA3  . GLY A 9   ? 0.263 0.295 0.314 0.011  0.009  0.047  9   GLY AAA HA3  
128  N N    . GLY A 10  ? 0.327 0.351 0.374 0.014  0.017  0.049  10  GLY AAA N    
129  C CA   . GLY A 10  ? 0.331 0.350 0.380 0.014  0.021  0.050  10  GLY AAA CA   
130  C C    . GLY A 10  ? 0.319 0.333 0.362 0.017  0.028  0.050  10  GLY AAA C    
131  O O    . GLY A 10  ? 0.310 0.325 0.352 0.017  0.029  0.050  10  GLY AAA O    
132  H H    . GLY A 10  ? 0.319 0.344 0.366 0.015  0.019  0.049  10  GLY AAA H    
133  H HA2  . GLY A 10  ? 0.326 0.344 0.385 0.012  0.020  0.050  10  GLY AAA HA2  
134  H HA3  . GLY A 10  ? 0.328 0.345 0.373 0.014  0.019  0.050  10  GLY AAA HA3  
135  N N    . LEU A 11  ? 0.320 0.329 0.358 0.018  0.031  0.051  11  LEU AAA N    
136  C CA   . LEU A 11  ? 0.326 0.327 0.357 0.021  0.039  0.052  11  LEU AAA CA   
137  C C    . LEU A 11  ? 0.321 0.319 0.335 0.025  0.038  0.053  11  LEU AAA C    
138  O O    . LEU A 11  ? 0.307 0.306 0.318 0.026  0.035  0.053  11  LEU AAA O    
139  C CB   . LEU A 11  ? 0.334 0.329 0.371 0.019  0.044  0.053  11  LEU AAA CB   
140  C CG   . LEU A 11  ? 0.344 0.328 0.373 0.021  0.054  0.054  11  LEU AAA CG   
141  C CD1  . LEU A 11  ? 0.350 0.331 0.382 0.021  0.060  0.053  11  LEU AAA CD1  
142  C CD2  . LEU A 11  ? 0.329 0.307 0.365 0.020  0.059  0.054  11  LEU AAA CD2  
143  H H    . LEU A 11  ? 0.321 0.329 0.358 0.018  0.030  0.051  11  LEU AAA H    
144  H HA   . LEU A 11  ? 0.326 0.326 0.358 0.020  0.041  0.052  11  LEU AAA HA   
145  H HB2  . LEU A 11  ? 0.329 0.326 0.378 0.017  0.044  0.052  11  LEU AAA HB2  
146  H HB3  . LEU A 11  ? 0.333 0.327 0.367 0.019  0.042  0.053  11  LEU AAA HB3  
147  H HG   . LEU A 11  ? 0.346 0.327 0.362 0.024  0.054  0.054  11  LEU AAA HG   
148  H HD11 . LEU A 11  ? 0.347 0.331 0.374 0.022  0.056  0.053  11  LEU AAA HD11 
149  H HD12 . LEU A 11  ? 0.358 0.330 0.385 0.022  0.066  0.054  11  LEU AAA HD12 
150  H HD13 . LEU A 11  ? 0.344 0.328 0.390 0.018  0.060  0.053  11  LEU AAA HD13 
151  H HD21 . LEU A 11  ? 0.330 0.312 0.380 0.017  0.058  0.053  11  LEU AAA HD21 
152  H HD22 . LEU A 11  ? 0.344 0.314 0.374 0.021  0.066  0.055  11  LEU AAA HD22 
153  H HD23 . LEU A 11  ? 0.335 0.313 0.366 0.020  0.056  0.054  11  LEU AAA HD23 
154  N N    . VAL A 12  ? 0.340 0.335 0.346 0.027  0.040  0.053  12  VAL AAA N    
155  C CA   . VAL A 12  ? 0.366 0.357 0.356 0.031  0.038  0.054  12  VAL AAA CA   
156  C C    . VAL A 12  ? 0.387 0.366 0.365 0.033  0.044  0.055  12  VAL AAA C    
157  O O    . VAL A 12  ? 0.401 0.376 0.384 0.031  0.050  0.054  12  VAL AAA O    
158  C CB   . VAL A 12  ? 0.367 0.367 0.357 0.032  0.030  0.053  12  VAL AAA CB   
159  C CG1  . VAL A 12  ? 0.346 0.356 0.345 0.030  0.025  0.052  12  VAL AAA CG1  
160  C CG2  . VAL A 12  ? 0.394 0.395 0.386 0.030  0.031  0.052  12  VAL AAA CG2  
161  H H    . VAL A 12  ? 0.342 0.336 0.350 0.026  0.042  0.053  12  VAL AAA H    
162  H HA   . VAL A 12  ? 0.366 0.356 0.354 0.033  0.037  0.055  12  VAL AAA HA   
163  H HB   . VAL A 12  ? 0.375 0.373 0.356 0.035  0.029  0.053  12  VAL AAA HB   
164  H HG11 . VAL A 12  ? 0.351 0.359 0.348 0.032  0.026  0.053  12  VAL AAA HG11 
165  H HG12 . VAL A 12  ? 0.346 0.361 0.345 0.031  0.022  0.051  12  VAL AAA HG12 
166  H HG13 . VAL A 12  ? 0.344 0.356 0.351 0.028  0.026  0.052  12  VAL AAA HG13 
167  H HG21 . VAL A 12  ? 0.379 0.383 0.381 0.027  0.032  0.051  12  VAL AAA HG21 
168  H HG22 . VAL A 12  ? 0.382 0.388 0.373 0.030  0.027  0.051  12  VAL AAA HG22 
169  H HG23 . VAL A 12  ? 0.394 0.387 0.379 0.031  0.035  0.052  12  VAL AAA HG23 
170  N N    . GLN A 13  ? 0.443 0.415 0.405 0.038  0.042  0.056  13  GLN AAA N    
171  C CA   . GLN A 13  ? 0.515 0.472 0.459 0.040  0.046  0.057  13  GLN AAA CA   
172  C C    . GLN A 13  ? 0.466 0.426 0.404 0.041  0.040  0.056  13  GLN AAA C    
173  O O    . GLN A 13  ? 0.438 0.410 0.383 0.041  0.032  0.055  13  GLN AAA O    
174  C CB   . GLN A 13  ? 0.622 0.569 0.551 0.045  0.047  0.059  13  GLN AAA CB   
175  C CG   . GLN A 13  ? 0.783 0.710 0.698 0.046  0.057  0.060  13  GLN AAA CG   
176  C CD   . GLN A 13  ? 0.893 0.804 0.783 0.051  0.056  0.062  13  GLN AAA CD   
177  O OE1  . GLN A 13  ? 0.982 0.887 0.864 0.055  0.055  0.063  13  GLN AAA OE1  
178  N NE2  . GLN A 13  ? 0.883 0.784 0.758 0.051  0.056  0.061  13  GLN AAA NE2  
179  H H    . GLN A 13  ? 0.442 0.417 0.403 0.039  0.039  0.056  13  GLN AAA H    
180  H HA   . GLN A 13  ? 0.514 0.465 0.460 0.039  0.053  0.057  13  GLN AAA HA   
181  H HB2  . GLN A 13  ? 0.620 0.571 0.556 0.045  0.046  0.059  13  GLN AAA HB2  
182  H HB3  . GLN A 13  ? 0.631 0.578 0.552 0.047  0.041  0.059  13  GLN AAA HB3  
183  H HG2  . GLN A 13  ? 0.763 0.689 0.681 0.044  0.061  0.059  13  GLN AAA HG2  
184  H HG3  . GLN A 13  ? 0.763 0.689 0.683 0.046  0.062  0.061  13  GLN AAA HG3  
185  H HE21 . GLN A 13  ? 0.905 0.795 0.764 0.054  0.054  0.062  13  GLN AAA HE21 
186  H HE22 . GLN A 13  ? 0.884 0.789 0.766 0.049  0.057  0.060  13  GLN AAA HE22 
187  N N    . ALA A 14  ? 0.456 0.403 0.381 0.041  0.045  0.055  14  ALA AAA N    
188  C CA   . ALA A 14  ? 0.478 0.423 0.392 0.041  0.039  0.054  14  ALA AAA CA   
189  C C    . ALA A 14  ? 0.471 0.421 0.379 0.045  0.027  0.055  14  ALA AAA C    
190  O O    . ALA A 14  ? 0.494 0.437 0.394 0.049  0.026  0.057  14  ALA AAA O    
191  C CB   . ALA A 14  ? 0.525 0.450 0.420 0.042  0.046  0.055  14  ALA AAA CB   
192  H H    . ALA A 14  ? 0.475 0.411 0.394 0.041  0.052  0.056  14  ALA AAA H    
193  H HA   . ALA A 14  ? 0.466 0.421 0.392 0.039  0.037  0.053  14  ALA AAA HA   
194  H HB1  . ALA A 14  ? 0.522 0.445 0.409 0.042  0.041  0.054  14  ALA AAA HB1  
195  H HB2  . ALA A 14  ? 0.515 0.438 0.417 0.040  0.053  0.054  14  ALA AAA HB2  
196  H HB3  . ALA A 14  ? 0.530 0.444 0.412 0.045  0.047  0.056  14  ALA AAA HB3  
197  N N    . GLY A 15  ? 0.460 0.419 0.373 0.044  0.019  0.053  15  GLY AAA N    
198  C CA   . GLY A 15  ? 0.443 0.408 0.354 0.047  0.008  0.053  15  GLY AAA CA   
199  C C    . GLY A 15  ? 0.399 0.382 0.330 0.046  0.005  0.053  15  GLY AAA C    
200  O O    . GLY A 15  ? 0.419 0.410 0.355 0.048  -0.003 0.052  15  GLY AAA O    
201  H H    . GLY A 15  ? 0.452 0.414 0.369 0.042  0.020  0.052  15  GLY AAA H    
202  H HA2  . GLY A 15  ? 0.444 0.410 0.352 0.046  0.003  0.052  15  GLY AAA HA2  
203  H HA3  . GLY A 15  ? 0.453 0.410 0.353 0.050  0.007  0.054  15  GLY AAA HA3  
204  N N    . ALA A 16  ? 0.385 0.373 0.328 0.044  0.011  0.053  16  ALA AAA N    
205  C CA   . ALA A 16  ? 0.371 0.372 0.330 0.043  0.010  0.053  16  ALA AAA CA   
206  C C    . ALA A 16  ? 0.361 0.374 0.332 0.040  0.006  0.051  16  ALA AAA C    
207  O O    . ALA A 16  ? 0.351 0.363 0.320 0.038  0.006  0.049  16  ALA AAA O    
208  C CB   . ALA A 16  ? 0.383 0.381 0.347 0.042  0.017  0.054  16  ALA AAA CB   
209  H H    . ALA A 16  ? 0.388 0.370 0.330 0.043  0.017  0.053  16  ALA AAA H    
210  H HA   . ALA A 16  ? 0.377 0.379 0.334 0.046  0.006  0.054  16  ALA AAA HA   
211  H HB1  . ALA A 16  ? 0.370 0.375 0.342 0.041  0.016  0.054  16  ALA AAA HB1  
212  H HB2  . ALA A 16  ? 0.387 0.377 0.343 0.044  0.020  0.055  16  ALA AAA HB2  
213  H HB3  . ALA A 16  ? 0.374 0.373 0.342 0.039  0.020  0.053  16  ALA AAA HB3  
214  N N    . SER A 17  ? 0.354 0.376 0.337 0.039  0.005  0.050  17  SER AAA N    
215  C CA   . SER A 17  ? 0.336 0.370 0.331 0.036  0.002  0.048  17  SER AAA CA   
216  C C    . SER A 17  ? 0.327 0.362 0.329 0.033  0.007  0.048  17  SER AAA C    
217  O O    . SER A 17  ? 0.320 0.352 0.322 0.034  0.009  0.050  17  SER AAA O    
218  C CB   . SER A 17  ? 0.352 0.393 0.353 0.038  -0.002 0.048  17  SER AAA CB   
219  O OG   . SER A 17  ? 0.449 0.490 0.446 0.041  -0.008 0.048  17  SER AAA OG   
220  H H    . SER A 17  ? 0.351 0.374 0.335 0.041  0.006  0.051  17  SER AAA H    
221  H HA   . SER A 17  ? 0.341 0.375 0.335 0.035  0.002  0.047  17  SER AAA HA   
222  H HB2  . SER A 17  ? 0.367 0.407 0.369 0.040  -0.001 0.049  17  SER AAA HB2  
223  H HB3  . SER A 17  ? 0.359 0.406 0.368 0.036  -0.002 0.047  17  SER AAA HB3  
225  N N    . LEU A 18  ? 0.311 0.351 0.320 0.029  0.006  0.047  18  LEU AAA N    
226  C CA   . LEU A 18  ? 0.300 0.342 0.316 0.026  0.008  0.046  18  LEU AAA CA   
227  C C    . LEU A 18  ? 0.263 0.311 0.285 0.025  0.006  0.045  18  LEU AAA C    
228  O O    . LEU A 18  ? 0.235 0.287 0.257 0.025  0.003  0.043  18  LEU AAA O    
229  C CB   . LEU A 18  ? 0.286 0.324 0.304 0.024  0.011  0.046  18  LEU AAA CB   
230  C CG   . LEU A 18  ? 0.303 0.334 0.318 0.024  0.015  0.048  18  LEU AAA CG   
231  C CD1  . LEU A 18  ? 0.301 0.329 0.322 0.022  0.018  0.048  18  LEU AAA CD1  
232  C CD2  . LEU A 18  ? 0.308 0.337 0.324 0.024  0.015  0.049  18  LEU AAA CD2  
233  H H    . LEU A 18  ? 0.312 0.353 0.321 0.029  0.005  0.046  18  LEU AAA H    
234  H HA   . LEU A 18  ? 0.293 0.333 0.309 0.027  0.009  0.047  18  LEU AAA HA   
235  H HB2  . LEU A 18  ? 0.292 0.331 0.310 0.023  0.011  0.046  18  LEU AAA HB2  
236  H HB3  . LEU A 18  ? 0.288 0.327 0.310 0.022  0.010  0.046  18  LEU AAA HB3  
237  H HG   . LEU A 18  ? 0.307 0.335 0.316 0.027  0.015  0.049  18  LEU AAA HG   
238  H HD11 . LEU A 18  ? 0.303 0.331 0.321 0.022  0.018  0.047  18  LEU AAA HD11 
239  H HD12 . LEU A 18  ? 0.305 0.329 0.325 0.022  0.021  0.049  18  LEU AAA HD12 
240  H HD13 . LEU A 18  ? 0.296 0.328 0.323 0.020  0.016  0.047  18  LEU AAA HD13 
241  H HD21 . LEU A 18  ? 0.302 0.333 0.323 0.022  0.014  0.048  18  LEU AAA HD21 
242  H HD22 . LEU A 18  ? 0.309 0.334 0.326 0.024  0.018  0.050  18  LEU AAA HD22 
243  H HD23 . LEU A 18  ? 0.308 0.337 0.321 0.027  0.014  0.049  18  LEU AAA HD23 
244  N N    . ARG A 19  ? 0.256 0.304 0.281 0.023  0.006  0.044  19  ARG AAA N    
245  C CA   . ARG A 19  ? 0.255 0.306 0.284 0.021  0.005  0.043  19  ARG AAA CA   
246  C C    . ARG A 19  ? 0.240 0.287 0.268 0.017  0.006  0.043  19  ARG AAA C    
247  O O    . ARG A 19  ? 0.225 0.267 0.251 0.017  0.006  0.044  19  ARG AAA O    
248  C CB   . ARG A 19  ? 0.294 0.347 0.324 0.022  0.006  0.042  19  ARG AAA CB   
249  C CG   . ARG A 19  ? 0.342 0.398 0.376 0.020  0.007  0.041  19  ARG AAA CG   
250  C CD   . ARG A 19  ? 0.431 0.487 0.469 0.021  0.010  0.040  19  ARG AAA CD   
251  N NE   . ARG A 19  ? 0.517 0.574 0.559 0.019  0.012  0.038  19  ARG AAA NE   
252  C CZ   . ARG A 19  ? 0.580 0.645 0.631 0.019  0.011  0.037  19  ARG AAA CZ   
253  N NH1  . ARG A 19  ? 0.579 0.650 0.632 0.020  0.006  0.036  19  ARG AAA NH1  
254  N NH2  . ARG A 19  ? 0.634 0.699 0.689 0.017  0.014  0.035  19  ARG AAA NH2  
255  H H    . ARG A 19  ? 0.259 0.303 0.282 0.023  0.007  0.045  19  ARG AAA H    
256  H HA   . ARG A 19  ? 0.257 0.311 0.287 0.020  0.004  0.042  19  ARG AAA HA   
257  H HB2  . ARG A 19  ? 0.296 0.352 0.328 0.024  0.005  0.043  19  ARG AAA HB2  
258  H HB3  . ARG A 19  ? 0.297 0.346 0.325 0.022  0.008  0.043  19  ARG AAA HB3  
259  H HG2  . ARG A 19  ? 0.347 0.399 0.380 0.018  0.007  0.040  19  ARG AAA HG2  
260  H HG3  . ARG A 19  ? 0.346 0.406 0.383 0.020  0.005  0.040  19  ARG AAA HG3  
261  H HD2  . ARG A 19  ? 0.427 0.487 0.468 0.024  0.008  0.041  19  ARG AAA HD2  
262  H HD3  . ARG A 19  ? 0.429 0.480 0.463 0.021  0.011  0.041  19  ARG AAA HD3  
263  H HE   . ARG A 19  ? 0.517 0.569 0.557 0.018  0.015  0.038  19  ARG AAA HE   
264  H HH11 . ARG A 19  ? 0.575 0.645 0.624 0.022  0.004  0.038  19  ARG AAA HH11 
265  H HH12 . ARG A 19  ? 0.574 0.650 0.633 0.020  0.005  0.035  19  ARG AAA HH12 
266  H HH21 . ARG A 19  ? 0.613 0.672 0.664 0.016  0.018  0.035  19  ARG AAA HH21 
267  H HH22 . ARG A 19  ? 0.608 0.677 0.669 0.017  0.014  0.034  19  ARG AAA HH22 
268  N N    . LEU A 20  ? 0.235 0.284 0.266 0.015  0.005  0.042  20  LEU AAA N    
269  C CA   . LEU A 20  ? 0.229 0.274 0.261 0.013  0.004  0.042  20  LEU AAA CA   
270  C C    . LEU A 20  ? 0.220 0.264 0.250 0.011  0.003  0.041  20  LEU AAA C    
271  O O    . LEU A 20  ? 0.207 0.255 0.238 0.012  0.005  0.039  20  LEU AAA O    
272  C CB   . LEU A 20  ? 0.236 0.283 0.273 0.012  0.003  0.042  20  LEU AAA CB   
273  C CG   . LEU A 20  ? 0.240 0.286 0.277 0.013  0.006  0.043  20  LEU AAA CG   
274  C CD1  . LEU A 20  ? 0.237 0.283 0.279 0.012  0.006  0.043  20  LEU AAA CD1  
275  C CD2  . LEU A 20  ? 0.248 0.290 0.285 0.014  0.006  0.044  20  LEU AAA CD2  
276  H H    . LEU A 20  ? 0.233 0.285 0.265 0.016  0.005  0.041  20  LEU AAA H    
277  H HA   . LEU A 20  ? 0.232 0.273 0.263 0.013  0.003  0.043  20  LEU AAA HA   
278  H HB2  . LEU A 20  ? 0.233 0.282 0.270 0.011  0.004  0.041  20  LEU AAA HB2  
279  H HB3  . LEU A 20  ? 0.235 0.279 0.273 0.010  0.002  0.042  20  LEU AAA HB3  
280  H HG   . LEU A 20  ? 0.241 0.289 0.275 0.015  0.006  0.042  20  LEU AAA HG   
281  H HD11 . LEU A 20  ? 0.236 0.284 0.278 0.011  0.006  0.042  20  LEU AAA HD11 
282  H HD12 . LEU A 20  ? 0.239 0.284 0.282 0.012  0.009  0.043  20  LEU AAA HD12 
283  H HD13 . LEU A 20  ? 0.236 0.281 0.283 0.010  0.005  0.043  20  LEU AAA HD13 
284  H HD21 . LEU A 20  ? 0.246 0.286 0.286 0.012  0.005  0.045  20  LEU AAA HD21 
285  H HD22 . LEU A 20  ? 0.247 0.288 0.285 0.014  0.008  0.045  20  LEU AAA HD22 
286  H HD23 . LEU A 20  ? 0.247 0.289 0.281 0.015  0.006  0.044  20  LEU AAA HD23 
287  N N    . SER A 21  ? 0.229 0.265 0.255 0.009  0.002  0.041  21  SER AAA N    
288  C CA   . SER A 21  ? 0.270 0.301 0.291 0.008  0.002  0.040  21  SER AAA CA   
289  C C    . SER A 21  ? 0.268 0.294 0.288 0.006  -0.002 0.041  21  SER AAA C    
290  O O    . SER A 21  ? 0.261 0.283 0.282 0.005  -0.005 0.042  21  SER AAA O    
291  C CB   . SER A 21  ? 0.306 0.328 0.318 0.008  0.004  0.041  21  SER AAA CB   
292  O OG   . SER A 21  ? 0.365 0.391 0.380 0.010  0.007  0.041  21  SER AAA OG   
293  H H    . SER A 21  ? 0.238 0.271 0.264 0.009  0.001  0.042  21  SER AAA H    
294  H HA   . SER A 21  ? 0.265 0.299 0.287 0.008  0.004  0.039  21  SER AAA HA   
295  H HB2  . SER A 21  ? 0.315 0.332 0.325 0.007  0.001  0.042  21  SER AAA HB2  
296  H HB3  . SER A 21  ? 0.317 0.334 0.325 0.007  0.005  0.040  21  SER AAA HB3  
298  N N    A CYS A 22  ? 0.271 0.296 0.289 0.005  -0.001 0.040  22  CYS AAA N    
299  N N    B CYS A 22  ? 0.264 0.288 0.282 0.005  -0.001 0.040  22  CYS AAA N    
300  C CA   A CYS A 22  ? 0.279 0.296 0.294 0.003  -0.004 0.040  22  CYS AAA CA   
301  C CA   B CYS A 22  ? 0.267 0.284 0.282 0.003  -0.005 0.040  22  CYS AAA CA   
302  C C    A CYS A 22  ? 0.280 0.286 0.283 0.002  -0.002 0.039  22  CYS AAA C    
303  C C    B CYS A 22  ? 0.274 0.280 0.277 0.002  -0.003 0.039  22  CYS AAA C    
304  O O    A CYS A 22  ? 0.272 0.281 0.275 0.002  0.003  0.038  22  CYS AAA O    
305  O O    B CYS A 22  ? 0.278 0.286 0.280 0.002  0.002  0.038  22  CYS AAA O    
306  C CB   A CYS A 22  ? 0.295 0.319 0.317 0.003  -0.004 0.040  22  CYS AAA CB   
307  C CB   B CYS A 22  ? 0.270 0.295 0.293 0.003  -0.004 0.040  22  CYS AAA CB   
308  S SG   A CYS A 22  ? 0.298 0.311 0.315 0.001  -0.010 0.041  22  CYS AAA SG   
309  S SG   B CYS A 22  ? 0.256 0.275 0.276 0.001  -0.006 0.040  22  CYS AAA SG   
310  H H    A CYS A 22  ? 0.269 0.298 0.289 0.005  0.002  0.039  22  CYS AAA H    
311  H H    B CYS A 22  ? 0.264 0.290 0.282 0.005  0.002  0.039  22  CYS AAA H    
312  H HA   A CYS A 22  ? 0.282 0.297 0.298 0.003  -0.008 0.041  22  CYS AAA HA   
313  H HA   B CYS A 22  ? 0.270 0.285 0.286 0.003  -0.008 0.041  22  CYS AAA HA   
314  H HB2  A CYS A 22  ? 0.283 0.312 0.312 0.003  -0.005 0.040  22  CYS AAA HB2  
315  H HB2  B CYS A 22  ? 0.259 0.288 0.288 0.003  -0.005 0.040  22  CYS AAA HB2  
316  H HB3  A CYS A 22  ? 0.288 0.313 0.309 0.003  -0.001 0.038  22  CYS AAA HB3  
317  H HB3  B CYS A 22  ? 0.260 0.290 0.284 0.003  -0.001 0.038  22  CYS AAA HB3  
318  N N    . ALA A 23  ? 0.280 0.274 0.272 0.001  -0.006 0.040  23  ALA AAA N    
319  C CA   . ALA A 23  ? 0.307 0.285 0.284 -0.000 -0.004 0.040  23  ALA AAA CA   
320  C C    . ALA A 23  ? 0.310 0.279 0.280 -0.001 -0.010 0.040  23  ALA AAA C    
321  O O    . ALA A 23  ? 0.302 0.269 0.274 -0.002 -0.018 0.042  23  ALA AAA O    
322  C CB   . ALA A 23  ? 0.315 0.283 0.282 -0.000 -0.005 0.040  23  ALA AAA CB   
323  H H    . ALA A 23  ? 0.286 0.279 0.280 0.001  -0.010 0.041  23  ALA AAA H    
324  H HA   . ALA A 23  ? 0.302 0.282 0.279 0.000  0.001  0.039  23  ALA AAA HA   
325  H HB1  . ALA A 23  ? 0.328 0.284 0.282 -0.001 -0.004 0.040  23  ALA AAA HB1  
326  H HB2  . ALA A 23  ? 0.311 0.285 0.282 0.001  -0.001 0.040  23  ALA AAA HB2  
327  H HB3  . ALA A 23  ? 0.316 0.284 0.285 -0.001 -0.011 0.041  23  ALA AAA HB3  
328  N N    . ALA A 24  ? 0.328 0.289 0.289 -0.002 -0.005 0.039  24  ALA AAA N    
329  C CA   . ALA A 24  ? 0.333 0.283 0.285 -0.003 -0.010 0.040  24  ALA AAA CA   
330  C C    . ALA A 24  ? 0.369 0.295 0.298 -0.004 -0.010 0.040  24  ALA AAA C    
331  O O    . ALA A 24  ? 0.369 0.288 0.289 -0.004 -0.003 0.039  24  ALA AAA O    
332  C CB   . ALA A 24  ? 0.329 0.284 0.286 -0.003 -0.004 0.039  24  ALA AAA CB   
333  H H    . ALA A 24  ? 0.322 0.286 0.284 -0.002 0.001  0.038  24  ALA AAA H    
334  H HA   . ALA A 24  ? 0.334 0.287 0.292 -0.003 -0.016 0.041  24  ALA AAA HA   
335  H HB1  . ALA A 24  ? 0.337 0.284 0.287 -0.003 -0.007 0.039  24  ALA AAA HB1  
336  H HB2  . ALA A 24  ? 0.317 0.285 0.286 -0.002 -0.004 0.039  24  ALA AAA HB2  
337  H HB3  . ALA A 24  ? 0.332 0.284 0.284 -0.003 0.002  0.038  24  ALA AAA HB3  
338  N N    . SER A 25  ? 0.402 0.315 0.320 -0.005 -0.020 0.042  25  SER AAA N    
339  C CA   . SER A 25  ? 0.457 0.343 0.348 -0.006 -0.022 0.042  25  SER AAA CA   
340  C C    . SER A 25  ? 0.460 0.338 0.346 -0.006 -0.029 0.043  25  SER AAA C    
341  O O    . SER A 25  ? 0.468 0.361 0.372 -0.005 -0.031 0.044  25  SER AAA O    
342  C CB   . SER A 25  ? 0.473 0.348 0.354 -0.007 -0.029 0.043  25  SER AAA CB   
343  O OG   . SER A 25  ? 0.445 0.331 0.342 -0.006 -0.041 0.044  25  SER AAA OG   
344  H H    . SER A 25  ? 0.398 0.317 0.325 -0.004 -0.026 0.043  25  SER AAA H    
345  H HA   . SER A 25  ? 0.457 0.337 0.340 -0.006 -0.013 0.041  25  SER AAA HA   
346  H HB2  . SER A 25  ? 0.487 0.343 0.349 -0.007 -0.032 0.043  25  SER AAA HB2  
347  H HB3  . SER A 25  ? 0.465 0.342 0.347 -0.007 -0.023 0.042  25  SER AAA HB3  
349  N N    . GLY A 26  ? 0.503 0.355 0.363 -0.006 -0.030 0.044  26  GLY AAA N    
350  C CA   . GLY A 26  ? 0.527 0.368 0.378 -0.006 -0.037 0.045  26  GLY AAA CA   
351  C C    . GLY A 26  ? 0.556 0.397 0.405 -0.005 -0.025 0.044  26  GLY AAA C    
352  O O    . GLY A 26  ? 0.544 0.371 0.377 -0.006 -0.014 0.042  26  GLY AAA O    
353  H H    . GLY A 26  ? 0.515 0.353 0.359 -0.007 -0.027 0.043  26  GLY AAA H    
354  H HA2  . GLY A 26  ? 0.551 0.373 0.384 -0.006 -0.043 0.046  26  GLY AAA HA2  
355  H HA3  . GLY A 26  ? 0.520 0.373 0.387 -0.005 -0.044 0.046  26  GLY AAA HA3  
356  N N    . SER A 27  ? 0.559 0.414 0.424 -0.004 -0.026 0.044  27  SER AAA N    
357  C CA   . SER A 27  ? 0.555 0.411 0.420 -0.005 -0.015 0.043  27  SER AAA CA   
358  C C    . SER A 27  ? 0.540 0.417 0.424 -0.005 -0.005 0.040  27  SER AAA C    
359  O O    . SER A 27  ? 0.551 0.447 0.455 -0.005 -0.004 0.040  27  SER AAA O    
360  C CB   . SER A 27  ? 0.549 0.409 0.422 -0.003 -0.019 0.044  27  SER AAA CB   
361  O OG   . SER A 27  ? 0.607 0.452 0.469 -0.002 -0.031 0.046  27  SER AAA OG   
362  H H    . SER A 27  ? 0.546 0.410 0.424 -0.004 -0.033 0.045  27  SER AAA H    
363  H HA   . SER A 27  ? 0.574 0.412 0.420 -0.005 -0.011 0.042  27  SER AAA HA   
364  H HB2  . SER A 27  ? 0.540 0.419 0.433 -0.003 -0.020 0.044  27  SER AAA HB2  
365  H HB3  . SER A 27  ? 0.562 0.418 0.431 -0.004 -0.011 0.043  27  SER AAA HB3  
367  N N    . THR A 28  ? 0.506 0.377 0.383 -0.006 0.003  0.039  28  THR AAA N    
368  C CA   . THR A 28  ? 0.473 0.362 0.366 -0.006 0.012  0.037  28  THR AAA CA   
369  C C    . THR A 28  ? 0.473 0.366 0.372 -0.007 0.022  0.035  28  THR AAA C    
370  O O    . THR A 28  ? 0.432 0.345 0.351 -0.007 0.027  0.033  28  THR AAA O    
371  C CB   . THR A 28  ? 0.459 0.341 0.345 -0.007 0.018  0.036  28  THR AAA CB   
372  O OG1  . THR A 28  ? 0.484 0.342 0.348 -0.008 0.027  0.035  28  THR AAA OG1  
373  C CG2  . THR A 28  ? 0.477 0.353 0.356 -0.006 0.009  0.038  28  THR AAA CG2  
374  H H    . THR A 28  ? 0.527 0.382 0.387 -0.006 0.003  0.039  28  THR AAA H    
375  H HA   . THR A 28  ? 0.457 0.362 0.366 -0.006 0.008  0.037  28  THR AAA HA   
376  H HB   . THR A 28  ? 0.453 0.348 0.352 -0.007 0.024  0.035  28  THR AAA HB   
378  H HG21 . THR A 28  ? 0.459 0.350 0.352 -0.006 0.003  0.038  28  THR AAA HG21 
379  H HG22 . THR A 28  ? 0.475 0.349 0.352 -0.007 0.013  0.037  28  THR AAA HG22 
380  H HG23 . THR A 28  ? 0.489 0.349 0.352 -0.007 0.004  0.039  28  THR AAA HG23 
381  N N    . TYR A 29  ? 0.493 0.367 0.374 -0.008 0.024  0.035  29  TYR AAA N    
382  C CA   . TYR A 29  ? 0.510 0.385 0.395 -0.009 0.032  0.033  29  TYR AAA CA   
383  C C    . TYR A 29  ? 0.451 0.349 0.359 -0.008 0.028  0.033  29  TYR AAA C    
384  O O    . TYR A 29  ? 0.445 0.359 0.369 -0.009 0.034  0.031  29  TYR AAA O    
385  C CB   . TYR A 29  ? 0.562 0.412 0.423 -0.008 0.031  0.035  29  TYR AAA CB   
386  C CG   . TYR A 29  ? 0.589 0.439 0.453 -0.010 0.040  0.033  29  TYR AAA CG   
387  C CD1  . TYR A 29  ? 0.583 0.431 0.449 -0.011 0.054  0.030  29  TYR AAA CD1  
388  C CD2  . TYR A 29  ? 0.593 0.448 0.462 -0.009 0.035  0.034  29  TYR AAA CD2  
389  C CE1  . TYR A 29  ? 0.561 0.410 0.432 -0.013 0.063  0.028  29  TYR AAA CE1  
390  C CE2  . TYR A 29  ? 0.599 0.453 0.471 -0.010 0.043  0.032  29  TYR AAA CE2  
391  C CZ   . TYR A 29  ? 0.541 0.394 0.415 -0.012 0.057  0.029  29  TYR AAA CZ   
392  O OH   . TYR A 29  ? 0.521 0.373 0.398 -0.014 0.066  0.027  29  TYR AAA OH   
393  H H    . TYR A 29  ? 0.513 0.370 0.378 -0.008 0.021  0.036  29  TYR AAA H    
394  H HA   . TYR A 29  ? 0.504 0.380 0.392 -0.010 0.041  0.031  29  TYR AAA HA   
395  H HB2  . TYR A 29  ? 0.578 0.411 0.423 -0.009 0.034  0.035  29  TYR AAA HB2  
396  H HB3  . TYR A 29  ? 0.562 0.411 0.422 -0.007 0.021  0.037  29  TYR AAA HB3  
397  H HD1  . TYR A 29  ? 0.582 0.428 0.447 -0.012 0.059  0.029  29  TYR AAA HD1  
398  H HD2  . TYR A 29  ? 0.587 0.444 0.458 -0.007 0.025  0.036  29  TYR AAA HD2  
399  H HE1  . TYR A 29  ? 0.568 0.416 0.442 -0.014 0.072  0.026  29  TYR AAA HE1  
400  H HE2  . TYR A 29  ? 0.579 0.436 0.454 -0.009 0.040  0.033  29  TYR AAA HE2  
402  N N    . MET A 30  ? 0.480 0.379 0.388 -0.007 0.017  0.036  30  MET AAA N    
403  C CA   . MET A 30  ? 0.480 0.396 0.406 -0.006 0.012  0.036  30  MET AAA CA   
404  C C    . MET A 30  ? 0.413 0.351 0.359 -0.006 0.014  0.035  30  MET AAA C    
405  O O    . MET A 30  ? 0.376 0.328 0.336 -0.007 0.018  0.033  30  MET AAA O    
406  C CB   . MET A 30  ? 0.521 0.430 0.443 -0.004 -0.001 0.040  30  MET AAA CB   
407  C CG   . MET A 30  ? 0.542 0.465 0.482 -0.003 -0.007 0.041  30  MET AAA CG   
408  S SD   . MET A 30  ? 0.624 0.547 0.566 -0.003 0.000  0.040  30  MET AAA SD   
409  C CE   . MET A 30  ? 0.624 0.547 0.574 -0.000 -0.010 0.043  30  MET AAA CE   
410  H H    . MET A 30  ? 0.488 0.375 0.385 -0.006 0.011  0.037  30  MET AAA H    
411  H HA   . MET A 30  ? 0.476 0.390 0.402 -0.006 0.016  0.035  30  MET AAA HA   
412  H HB2  . MET A 30  ? 0.536 0.429 0.443 -0.004 -0.002 0.041  30  MET AAA HB2  
413  H HB3  . MET A 30  ? 0.521 0.429 0.442 -0.004 -0.005 0.040  30  MET AAA HB3  
414  H HG2  . MET A 30  ? 0.556 0.475 0.495 -0.001 -0.015 0.043  30  MET AAA HG2  
415  H HG3  . MET A 30  ? 0.537 0.474 0.490 -0.003 -0.005 0.040  30  MET AAA HG3  
416  H HE1  . MET A 30  ? 0.626 0.548 0.576 -0.000 -0.007 0.043  30  MET AAA HE1  
417  H HE2  . MET A 30  ? 0.636 0.548 0.577 0.001  -0.017 0.045  30  MET AAA HE2  
418  H HE3  . MET A 30  ? 0.612 0.548 0.576 0.000  -0.012 0.044  30  MET AAA HE3  
419  N N    . PHE A 31  ? 0.371 0.310 0.317 -0.006 0.011  0.035  31  PHE AAA N    
420  C CA   . PHE A 31  ? 0.328 0.287 0.291 -0.005 0.012  0.034  31  PHE AAA CA   
421  C C    . PHE A 31  ? 0.314 0.281 0.284 -0.007 0.022  0.031  31  PHE AAA C    
422  O O    . PHE A 31  ? 0.280 0.263 0.265 -0.006 0.022  0.030  31  PHE AAA O    
423  C CB   . PHE A 31  ? 0.347 0.302 0.305 -0.005 0.008  0.036  31  PHE AAA CB   
424  C CG   . PHE A 31  ? 0.337 0.308 0.309 -0.004 0.009  0.035  31  PHE AAA CG   
425  C CD1  . PHE A 31  ? 0.338 0.322 0.323 -0.003 0.004  0.036  31  PHE AAA CD1  
426  C CD2  . PHE A 31  ? 0.350 0.322 0.321 -0.004 0.017  0.033  31  PHE AAA CD2  
427  C CE1  . PHE A 31  ? 0.329 0.325 0.323 -0.002 0.005  0.035  31  PHE AAA CE1  
428  C CE2  . PHE A 31  ? 0.326 0.312 0.310 -0.003 0.017  0.033  31  PHE AAA CE2  
429  C CZ   . PHE A 31  ? 0.326 0.323 0.320 -0.002 0.012  0.034  31  PHE AAA CZ   
430  H H    . PHE A 31  ? 0.384 0.313 0.319 -0.005 0.009  0.036  31  PHE AAA H    
431  H HA   . PHE A 31  ? 0.325 0.292 0.297 -0.005 0.008  0.035  31  PHE AAA HA   
432  H HB2  . PHE A 31  ? 0.347 0.299 0.303 -0.004 0.001  0.037  31  PHE AAA HB2  
433  H HB3  . PHE A 31  ? 0.357 0.299 0.302 -0.005 0.011  0.035  31  PHE AAA HB3  
434  H HD1  . PHE A 31  ? 0.335 0.318 0.321 -0.003 -0.000 0.037  31  PHE AAA HD1  
435  H HD2  . PHE A 31  ? 0.354 0.316 0.317 -0.005 0.022  0.032  31  PHE AAA HD2  
436  H HE1  . PHE A 31  ? 0.320 0.323 0.322 -0.001 0.003  0.036  31  PHE AAA HE1  
437  H HE2  . PHE A 31  ? 0.332 0.319 0.317 -0.003 0.022  0.032  31  PHE AAA HE2  
438  H HZ   . PHE A 31  ? 0.317 0.322 0.317 -0.001 0.012  0.034  31  PHE AAA HZ   
439  N N    . SER A 32  ? 0.337 0.292 0.298 -0.008 0.029  0.030  32  SER AAA N    
440  C CA   . SER A 32  ? 0.362 0.324 0.332 -0.009 0.039  0.027  32  SER AAA CA   
441  C C    . SER A 32  ? 0.330 0.300 0.309 -0.011 0.042  0.025  32  SER AAA C    
442  O O    . SER A 32  ? 0.363 0.346 0.357 -0.011 0.045  0.022  32  SER AAA O    
443  C CB   . SER A 32  ? 0.414 0.358 0.370 -0.010 0.047  0.026  32  SER AAA CB   
444  O OG   . SER A 32  ? 0.484 0.418 0.428 -0.009 0.044  0.028  32  SER AAA OG   
445  H H    . SER A 32  ? 0.354 0.295 0.301 -0.008 0.029  0.031  32  SER AAA H    
446  H HA   . SER A 32  ? 0.349 0.321 0.328 -0.008 0.038  0.027  32  SER AAA HA   
447  H HB2  . SER A 32  ? 0.429 0.361 0.374 -0.011 0.049  0.026  32  SER AAA HB2  
448  H HB3  . SER A 32  ? 0.416 0.365 0.380 -0.011 0.054  0.024  32  SER AAA HB3  
450  N N    . ILE A 33  ? 0.339 0.302 0.311 -0.011 0.040  0.026  33  ILE AAA N    
451  C CA   . ILE A 33  ? 0.352 0.320 0.331 -0.012 0.043  0.024  33  ILE AAA CA   
452  C C    . ILE A 33  ? 0.282 0.263 0.271 -0.011 0.036  0.025  33  ILE AAA C    
453  O O    . ILE A 33  ? 0.253 0.237 0.246 -0.012 0.037  0.024  33  ILE AAA O    
454  C CB   . ILE A 33  ? 0.410 0.359 0.372 -0.013 0.046  0.025  33  ILE AAA CB   
455  C CG1  . ILE A 33  ? 0.454 0.390 0.402 -0.011 0.037  0.028  33  ILE AAA CG1  
456  C CG2  . ILE A 33  ? 0.493 0.427 0.446 -0.015 0.057  0.023  33  ILE AAA CG2  
457  C CD1  . ILE A 33  ? 0.525 0.448 0.463 -0.010 0.036  0.030  33  ILE AAA CD1  
458  H H    . ILE A 33  ? 0.351 0.303 0.312 -0.010 0.036  0.028  33  ILE AAA H    
459  H HA   . ILE A 33  ? 0.341 0.314 0.327 -0.014 0.048  0.022  33  ILE AAA HA   
460  H HB   . ILE A 33  ? 0.414 0.368 0.382 -0.013 0.046  0.024  33  ILE AAA HB   
461  H HG12 . ILE A 33  ? 0.468 0.393 0.406 -0.010 0.038  0.029  33  ILE AAA HG12 
462  H HG13 . ILE A 33  ? 0.448 0.393 0.404 -0.009 0.031  0.029  33  ILE AAA HG13 
463  H HG21 . ILE A 33  ? 0.464 0.407 0.428 -0.016 0.062  0.020  33  ILE AAA HG21 
464  H HG22 . ILE A 33  ? 0.481 0.404 0.424 -0.015 0.058  0.023  33  ILE AAA HG22 
465  H HG23 . ILE A 33  ? 0.477 0.404 0.423 -0.014 0.057  0.023  33  ILE AAA HG23 
466  H HD11 . ILE A 33  ? 0.496 0.429 0.444 -0.011 0.037  0.029  33  ILE AAA HD11 
467  H HD12 . ILE A 33  ? 0.511 0.429 0.443 -0.009 0.029  0.032  33  ILE AAA HD12 
468  H HD13 . ILE A 33  ? 0.518 0.429 0.446 -0.011 0.042  0.029  33  ILE AAA HD13 
469  N N    . SER A 34  ? 0.249 0.236 0.241 -0.009 0.029  0.027  34  SER AAA N    
470  C CA   . SER A 34  ? 0.227 0.223 0.228 -0.008 0.023  0.028  34  SER AAA CA   
471  C C    . SER A 34  ? 0.215 0.227 0.228 -0.008 0.023  0.027  34  SER AAA C    
472  O O    . SER A 34  ? 0.215 0.229 0.228 -0.007 0.022  0.027  34  SER AAA O    
473  C CB   . SER A 34  ? 0.233 0.223 0.229 -0.006 0.016  0.032  34  SER AAA CB   
474  O OG   . SER A 34  ? 0.247 0.223 0.232 -0.006 0.014  0.033  34  SER AAA OG   
475  H H    . SER A 34  ? 0.253 0.239 0.243 -0.009 0.028  0.027  34  SER AAA H    
476  H HA   . SER A 34  ? 0.230 0.227 0.232 -0.009 0.025  0.027  34  SER AAA HA   
477  H HB2  . SER A 34  ? 0.235 0.223 0.228 -0.006 0.014  0.032  34  SER AAA HB2  
478  H HB3  . SER A 34  ? 0.226 0.223 0.230 -0.005 0.013  0.032  34  SER AAA HB3  
480  N N    . ALA A 35  ? 0.208 0.228 0.229 -0.009 0.023  0.026  35  ALA AAA N    
481  C CA   . ALA A 35  ? 0.205 0.237 0.234 -0.008 0.020  0.026  35  ALA AAA CA   
482  C C    . ALA A 35  ? 0.212 0.243 0.240 -0.005 0.015  0.029  35  ALA AAA C    
483  O O    . ALA A 35  ? 0.210 0.235 0.237 -0.005 0.013  0.031  35  ALA AAA O    
484  C CB   . ALA A 35  ? 0.198 0.234 0.231 -0.009 0.021  0.024  35  ALA AAA CB   
485  H H    . ALA A 35  ? 0.211 0.230 0.231 -0.010 0.024  0.025  35  ALA AAA H    
486  H HA   . ALA A 35  ? 0.203 0.238 0.234 -0.008 0.021  0.024  35  ALA AAA HA   
487  H HB1  . ALA A 35  ? 0.195 0.236 0.231 -0.008 0.020  0.024  35  ALA AAA HB1  
488  H HB2  . ALA A 35  ? 0.200 0.238 0.234 -0.011 0.024  0.022  35  ALA AAA HB2  
489  H HB3  . ALA A 35  ? 0.202 0.233 0.233 -0.009 0.021  0.025  35  ALA AAA HB3  
490  N N    . MET A 36  ? 0.224 0.261 0.256 -0.004 0.014  0.029  36  MET AAA N    
491  C CA   . MET A 36  ? 0.219 0.257 0.252 -0.002 0.010  0.032  36  MET AAA CA   
492  C C    . MET A 36  ? 0.209 0.255 0.248 -0.002 0.009  0.031  36  MET AAA C    
493  O O    . MET A 36  ? 0.206 0.256 0.246 -0.002 0.011  0.029  36  MET AAA O    
494  C CB   . MET A 36  ? 0.225 0.259 0.254 -0.002 0.009  0.032  36  MET AAA CB   
495  C CG   . MET A 36  ? 0.250 0.274 0.270 -0.003 0.009  0.033  36  MET AAA CG   
496  S SD   . MET A 36  ? 0.326 0.339 0.341 -0.002 0.003  0.035  36  MET AAA SD   
497  C CE   . MET A 36  ? 0.343 0.357 0.362 -0.001 -0.002 0.038  36  MET AAA CE   
498  H H    . MET A 36  ? 0.217 0.259 0.251 -0.005 0.015  0.027  36  MET AAA H    
499  H HA   . MET A 36  ? 0.221 0.255 0.254 -0.002 0.008  0.033  36  MET AAA HA   
500  H HB2  . MET A 36  ? 0.226 0.264 0.256 -0.002 0.010  0.031  36  MET AAA HB2  
501  H HB3  . MET A 36  ? 0.227 0.261 0.257 -0.001 0.006  0.034  36  MET AAA HB3  
502  H HG2  . MET A 36  ? 0.262 0.285 0.281 -0.004 0.012  0.031  36  MET AAA HG2  
503  H HG3  . MET A 36  ? 0.263 0.284 0.280 -0.002 0.009  0.033  36  MET AAA HG3  
504  H HE1  . MET A 36  ? 0.340 0.350 0.359 -0.001 -0.006 0.039  36  MET AAA HE1  
505  H HE2  . MET A 36  ? 0.340 0.351 0.354 -0.001 -0.002 0.037  36  MET AAA HE2  
506  H HE3  . MET A 36  ? 0.329 0.352 0.356 -0.000 -0.002 0.037  36  MET AAA HE3  
507  N N    . GLY A 37  ? 0.210 0.255 0.252 -0.000 0.007  0.034  37  GLY AAA N    
508  C CA   . GLY A 37  ? 0.209 0.259 0.254 0.001  0.008  0.034  37  GLY AAA CA   
509  C C    . GLY A 37  ? 0.204 0.253 0.251 0.002  0.006  0.036  37  GLY AAA C    
510  O O    . GLY A 37  ? 0.209 0.255 0.258 0.002  0.004  0.037  37  GLY AAA O    
511  H H    . GLY A 37  ? 0.212 0.253 0.253 0.000  0.005  0.035  37  GLY AAA H    
512  H HA2  . GLY A 37  ? 0.207 0.260 0.250 0.001  0.009  0.032  37  GLY AAA HA2  
513  H HA3  . GLY A 37  ? 0.208 0.257 0.254 0.000  0.010  0.034  37  GLY AAA HA3  
514  N N    . TRP A 38  ? 0.198 0.250 0.245 0.003  0.008  0.036  38  TRP AAA N    
515  C CA   . TRP A 38  ? 0.196 0.247 0.246 0.005  0.007  0.038  38  TRP AAA CA   
516  C C    . TRP A 38  ? 0.205 0.254 0.258 0.005  0.011  0.038  38  TRP AAA C    
517  O O    . TRP A 38  ? 0.219 0.267 0.267 0.005  0.014  0.037  38  TRP AAA O    
518  C CB   . TRP A 38  ? 0.207 0.260 0.252 0.006  0.007  0.037  38  TRP AAA CB   
519  C CG   . TRP A 38  ? 0.208 0.261 0.251 0.006  0.005  0.038  38  TRP AAA CG   
520  C CD1  . TRP A 38  ? 0.234 0.289 0.275 0.006  0.004  0.036  38  TRP AAA CD1  
521  C CD2  . TRP A 38  ? 0.217 0.267 0.262 0.007  0.003  0.039  38  TRP AAA CD2  
522  N NE1  . TRP A 38  ? 0.227 0.279 0.266 0.006  0.003  0.037  38  TRP AAA NE1  
523  C CE2  . TRP A 38  ? 0.230 0.278 0.270 0.007  0.002  0.039  38  TRP AAA CE2  
524  C CE3  . TRP A 38  ? 0.218 0.265 0.268 0.007  0.002  0.041  38  TRP AAA CE3  
525  C CZ2  . TRP A 38  ? 0.249 0.292 0.286 0.007  0.000  0.040  38  TRP AAA CZ2  
526  C CZ3  . TRP A 38  ? 0.235 0.278 0.283 0.006  -0.001 0.042  38  TRP AAA CZ3  
527  C CH2  . TRP A 38  ? 0.216 0.257 0.257 0.006  -0.002 0.041  38  TRP AAA CH2  
528  H H    . TRP A 38  ? 0.200 0.253 0.244 0.003  0.008  0.034  38  TRP AAA H    
529  H HA   . TRP A 38  ? 0.200 0.249 0.252 0.005  0.005  0.039  38  TRP AAA HA   
530  H HB2  . TRP A 38  ? 0.206 0.260 0.248 0.006  0.008  0.036  38  TRP AAA HB2  
531  H HB3  . TRP A 38  ? 0.206 0.257 0.252 0.007  0.008  0.038  38  TRP AAA HB3  
532  H HD1  . TRP A 38  ? 0.225 0.282 0.266 0.006  0.005  0.035  38  TRP AAA HD1  
533  H HE1  . TRP A 38  ? 0.230 0.282 0.267 0.006  0.004  0.036  38  TRP AAA HE1  
534  H HE3  . TRP A 38  ? 0.221 0.268 0.275 0.007  0.003  0.041  38  TRP AAA HE3  
535  H HZ2  . TRP A 38  ? 0.238 0.279 0.271 0.007  0.000  0.040  38  TRP AAA HZ2  
536  H HZ3  . TRP A 38  ? 0.227 0.268 0.280 0.006  -0.002 0.043  38  TRP AAA HZ3  
537  H HH2  . TRP A 38  ? 0.231 0.268 0.271 0.006  -0.004 0.042  38  TRP AAA HH2  
538  N N    . TYR A 39  ? 0.220 0.267 0.281 0.005  0.011  0.040  39  TYR AAA N    
539  C CA   . TYR A 39  ? 0.213 0.257 0.282 0.006  0.016  0.041  39  TYR AAA CA   
540  C C    . TYR A 39  ? 0.230 0.273 0.302 0.007  0.018  0.042  39  TYR AAA C    
541  O O    . TYR A 39  ? 0.221 0.266 0.293 0.007  0.014  0.043  39  TYR AAA O    
542  C CB   . TYR A 39  ? 0.216 0.259 0.296 0.005  0.014  0.042  39  TYR AAA CB   
543  C CG   . TYR A 39  ? 0.210 0.253 0.287 0.004  0.013  0.041  39  TYR AAA CG   
544  C CD1  . TYR A 39  ? 0.214 0.258 0.284 0.003  0.008  0.041  39  TYR AAA CD1  
545  C CD2  . TYR A 39  ? 0.220 0.262 0.300 0.004  0.017  0.041  39  TYR AAA CD2  
546  C CE1  . TYR A 39  ? 0.206 0.248 0.272 0.003  0.008  0.040  39  TYR AAA CE1  
547  C CE2  . TYR A 39  ? 0.219 0.260 0.296 0.003  0.017  0.040  39  TYR AAA CE2  
548  C CZ   . TYR A 39  ? 0.211 0.252 0.281 0.002  0.012  0.040  39  TYR AAA CZ   
549  O OH   . TYR A 39  ? 0.195 0.234 0.261 0.001  0.012  0.039  39  TYR AAA OH   
550  H H    . TYR A 39  ? 0.213 0.260 0.277 0.005  0.008  0.041  39  TYR AAA H    
551  H HA   . TYR A 39  ? 0.221 0.264 0.286 0.006  0.019  0.040  39  TYR AAA HA   
552  H HB2  . TYR A 39  ? 0.212 0.256 0.296 0.005  0.010  0.043  39  TYR AAA HB2  
553  H HB3  . TYR A 39  ? 0.214 0.257 0.302 0.005  0.018  0.043  39  TYR AAA HB3  
554  H HD1  . TYR A 39  ? 0.210 0.254 0.278 0.004  0.006  0.041  39  TYR AAA HD1  
555  H HD2  . TYR A 39  ? 0.219 0.259 0.303 0.004  0.022  0.042  39  TYR AAA HD2  
556  H HE1  . TYR A 39  ? 0.210 0.251 0.272 0.002  0.006  0.039  39  TYR AAA HE1  
557  H HE2  . TYR A 39  ? 0.219 0.258 0.298 0.003  0.020  0.040  39  TYR AAA HE2  
559  N N    . ARG A 40  ? 0.235 0.274 0.311 0.007  0.024  0.043  40  ARG AAA N    
560  C CA   . ARG A 40  ? 0.248 0.285 0.329 0.008  0.028  0.044  40  ARG AAA CA   
561  C C    . ARG A 40  ? 0.271 0.305 0.365 0.008  0.035  0.045  40  ARG AAA C    
562  O O    . ARG A 40  ? 0.249 0.280 0.343 0.008  0.039  0.045  40  ARG AAA O    
563  C CB   . ARG A 40  ? 0.276 0.308 0.342 0.009  0.031  0.044  40  ARG AAA CB   
564  C CG   . ARG A 40  ? 0.288 0.313 0.345 0.010  0.038  0.043  40  ARG AAA CG   
565  C CD   . ARG A 40  ? 0.309 0.329 0.350 0.011  0.038  0.042  40  ARG AAA CD   
566  N NE   . ARG A 40  ? 0.325 0.337 0.353 0.012  0.042  0.041  40  ARG AAA NE   
567  C CZ   . ARG A 40  ? 0.366 0.372 0.377 0.013  0.041  0.041  40  ARG AAA CZ   
568  N NH1  . ARG A 40  ? 0.347 0.355 0.355 0.015  0.037  0.041  40  ARG AAA NH1  
569  N NH2  . ARG A 40  ? 0.394 0.389 0.391 0.013  0.045  0.040  40  ARG AAA NH2  
570  H H    . ARG A 40  ? 0.240 0.277 0.315 0.007  0.028  0.042  40  ARG AAA H    
571  H HA   . ARG A 40  ? 0.251 0.290 0.336 0.008  0.024  0.045  40  ARG AAA HA   
572  H HB2  . ARG A 40  ? 0.272 0.304 0.341 0.010  0.032  0.044  40  ARG AAA HB2  
573  H HB3  . ARG A 40  ? 0.270 0.305 0.329 0.009  0.027  0.043  40  ARG AAA HB3  
574  H HG2  . ARG A 40  ? 0.291 0.317 0.344 0.009  0.036  0.042  40  ARG AAA HG2  
575  H HG3  . ARG A 40  ? 0.293 0.315 0.357 0.010  0.043  0.044  40  ARG AAA HG3  
576  H HD2  . ARG A 40  ? 0.308 0.326 0.353 0.012  0.041  0.044  40  ARG AAA HD2  
577  H HD3  . ARG A 40  ? 0.303 0.328 0.341 0.012  0.033  0.042  40  ARG AAA HD3  
578  H HE   . ARG A 40  ? 0.334 0.344 0.364 0.011  0.046  0.041  40  ARG AAA HE   
579  H HH11 . ARG A 40  ? 0.345 0.359 0.361 0.015  0.035  0.042  40  ARG AAA HH11 
580  H HH12 . ARG A 40  ? 0.360 0.364 0.356 0.016  0.036  0.041  40  ARG AAA HH12 
581  H HH21 . ARG A 40  ? 0.388 0.381 0.387 0.012  0.048  0.039  40  ARG AAA HH21 
582  H HH22 . ARG A 40  ? 0.395 0.385 0.380 0.014  0.044  0.039  40  ARG AAA HH22 
583  N N    . GLN A 41  ? 0.293 0.327 0.400 0.008  0.035  0.047  41  GLN AAA N    
584  C CA   . GLN A 41  ? 0.331 0.361 0.454 0.008  0.044  0.048  41  GLN AAA CA   
585  C C    . GLN A 41  ? 0.348 0.373 0.471 0.009  0.050  0.048  41  GLN AAA C    
586  O O    . GLN A 41  ? 0.306 0.334 0.435 0.008  0.045  0.049  41  GLN AAA O    
587  C CB   . GLN A 41  ? 0.366 0.401 0.510 0.007  0.038  0.049  41  GLN AAA CB   
588  C CG   . GLN A 41  ? 0.422 0.454 0.586 0.008  0.047  0.050  41  GLN AAA CG   
589  C CD   . GLN A 41  ? 0.473 0.511 0.656 0.007  0.040  0.051  41  GLN AAA CD   
590  O OE1  . GLN A 41  ? 0.529 0.572 0.713 0.007  0.029  0.052  41  GLN AAA OE1  
591  N NE2  . GLN A 41  ? 0.513 0.549 0.707 0.008  0.048  0.052  41  GLN AAA NE2  
592  H H    . GLN A 41  ? 0.293 0.328 0.401 0.008  0.031  0.047  41  GLN AAA H    
593  H HA   . GLN A 41  ? 0.338 0.364 0.456 0.008  0.049  0.047  41  GLN AAA HA   
594  H HB2  . GLN A 41  ? 0.366 0.403 0.507 0.007  0.034  0.049  41  GLN AAA HB2  
595  H HB3  . GLN A 41  ? 0.365 0.403 0.513 0.007  0.033  0.049  41  GLN AAA HB3  
596  H HG2  . GLN A 41  ? 0.422 0.453 0.593 0.008  0.050  0.051  41  GLN AAA HG2  
597  H HG3  . GLN A 41  ? 0.426 0.453 0.583 0.008  0.054  0.050  41  GLN AAA HG3  
598  H HE21 . GLN A 41  ? 0.499 0.537 0.701 0.008  0.044  0.053  41  GLN AAA HE21 
599  H HE22 . GLN A 41  ? 0.505 0.536 0.700 0.008  0.057  0.052  41  GLN AAA HE22 
600  N N    . ALA A 42  ? 0.383 0.398 0.496 0.010  0.061  0.048  42  ALA AAA N    
601  C CA   . ALA A 42  ? 0.469 0.475 0.580 0.010  0.070  0.049  42  ALA AAA CA   
602  C C    . ALA A 42  ? 0.489 0.496 0.626 0.010  0.077  0.050  42  ALA AAA C    
603  O O    . ALA A 42  ? 0.449 0.459 0.602 0.009  0.077  0.050  42  ALA AAA O    
604  C CB   . ALA A 42  ? 0.478 0.472 0.566 0.011  0.078  0.048  42  ALA AAA CB   
605  H H    . ALA A 42  ? 0.397 0.409 0.503 0.010  0.063  0.047  42  ALA AAA H    
606  H HA   . ALA A 42  ? 0.454 0.463 0.562 0.010  0.066  0.049  42  ALA AAA HA   
607  H HB1  . ALA A 42  ? 0.487 0.474 0.573 0.012  0.084  0.048  42  ALA AAA HB1  
608  H HB2  . ALA A 42  ? 0.479 0.474 0.553 0.012  0.072  0.047  42  ALA AAA HB2  
609  H HB3  . ALA A 42  ? 0.483 0.474 0.572 0.011  0.082  0.048  42  ALA AAA HB3  
610  N N    . PRO A 43  ? 0.580 0.582 0.723 0.010  0.083  0.050  43  PRO AAA N    
611  C CA   . PRO A 43  ? 0.611 0.612 0.782 0.009  0.091  0.051  43  PRO AAA CA   
612  C C    . PRO A 43  ? 0.600 0.591 0.770 0.009  0.105  0.051  43  PRO AAA C    
613  O O    . PRO A 43  ? 0.612 0.589 0.756 0.010  0.113  0.051  43  PRO AAA O    
614  C CB   . PRO A 43  ? 0.691 0.690 0.866 0.008  0.094  0.052  43  PRO AAA CB   
615  C CG   . PRO A 43  ? 0.679 0.674 0.823 0.010  0.089  0.051  43  PRO AAA CG   
616  C CD   . PRO A 43  ? 0.626 0.622 0.751 0.010  0.084  0.050  43  PRO AAA CD   
617  H HA   . PRO A 43  ? 0.605 0.615 0.792 0.008  0.084  0.052  43  PRO AAA HA   
618  H HB2  . PRO A 43  ? 0.677 0.667 0.856 0.008  0.105  0.052  43  PRO AAA HB2  
619  H HB3  . PRO A 43  ? 0.661 0.667 0.852 0.007  0.087  0.052  43  PRO AAA HB3  
620  H HG2  . PRO A 43  ? 0.680 0.665 0.815 0.010  0.098  0.051  43  PRO AAA HG2  
621  H HG3  . PRO A 43  ? 0.664 0.665 0.811 0.009  0.082  0.051  43  PRO AAA HG3  
622  H HD2  . PRO A 43  ? 0.637 0.624 0.747 0.011  0.090  0.050  43  PRO AAA HD2  
623  H HD3  . PRO A 43  ? 0.622 0.623 0.740 0.011  0.075  0.050  43  PRO AAA HD3  
624  N N    . GLY A 44  ? 0.558 0.553 0.753 0.009  0.107  0.052  44  GLY AAA N    
625  C CA   . GLY A 44  ? 0.589 0.574 0.785 0.010  0.121  0.052  44  GLY AAA CA   
626  C C    . GLY A 44  ? 0.580 0.563 0.757 0.010  0.118  0.052  44  GLY AAA C    
627  O O    . GLY A 44  ? 0.539 0.513 0.714 0.010  0.130  0.052  44  GLY AAA O    
628  H H    . GLY A 44  ? 0.563 0.567 0.774 0.008  0.100  0.053  44  GLY AAA H    
629  H HA2  . GLY A 44  ? 0.578 0.567 0.799 0.009  0.123  0.053  44  GLY AAA HA2  
630  H HA3  . GLY A 44  ? 0.593 0.567 0.780 0.010  0.131  0.052  44  GLY AAA HA3  
631  N N    . LYS A 45  ? 0.565 0.557 0.730 0.010  0.104  0.051  45  LYS AAA N    
632  C CA   . LYS A 45  ? 0.570 0.560 0.716 0.010  0.101  0.050  45  LYS AAA CA   
633  C C    . LYS A 45  ? 0.550 0.554 0.708 0.009  0.088  0.050  45  LYS AAA C    
634  O O    . LYS A 45  ? 0.485 0.499 0.659 0.009  0.079  0.051  45  LYS AAA O    
635  C CB   . LYS A 45  ? 0.605 0.589 0.719 0.010  0.099  0.048  45  LYS AAA CB   
636  C CG   . LYS A 45  ? 0.662 0.630 0.763 0.011  0.111  0.048  45  LYS AAA CG   
637  C CD   . LYS A 45  ? 0.724 0.684 0.793 0.012  0.108  0.047  45  LYS AAA CD   
638  C CE   . LYS A 45  ? 0.745 0.708 0.800 0.011  0.101  0.045  45  LYS AAA CE   
639  N NZ   . LYS A 45  ? 0.802 0.753 0.826 0.012  0.099  0.044  45  LYS AAA NZ   
640  H H    . LYS A 45  ? 0.560 0.559 0.728 0.009  0.095  0.051  45  LYS AAA H    
641  H HA   . LYS A 45  ? 0.581 0.564 0.728 0.010  0.110  0.050  45  LYS AAA HA   
642  H HB2  . LYS A 45  ? 0.600 0.591 0.714 0.010  0.090  0.048  45  LYS AAA HB2  
643  H HB3  . LYS A 45  ? 0.610 0.592 0.713 0.010  0.097  0.047  45  LYS AAA HB3  
644  H HG2  . LYS A 45  ? 0.672 0.632 0.775 0.011  0.121  0.048  45  LYS AAA HG2  
645  H HG3  . LYS A 45  ? 0.661 0.631 0.773 0.011  0.112  0.049  45  LYS AAA HG3  
646  H HD2  . LYS A 45  ? 0.730 0.677 0.788 0.012  0.117  0.047  45  LYS AAA HD2  
647  H HD3  . LYS A 45  ? 0.710 0.676 0.778 0.012  0.101  0.047  45  LYS AAA HD3  
648  H HE2  . LYS A 45  ? 0.737 0.711 0.799 0.011  0.092  0.045  45  LYS AAA HE2  
649  H HE3  . LYS A 45  ? 0.752 0.711 0.812 0.011  0.106  0.045  45  LYS AAA HE3  
650  H HZ1  . LYS A 45  ? 0.802 0.740 0.817 0.012  0.108  0.044  45  LYS AAA HZ1  
651  H HZ2  . LYS A 45  ? 0.788 0.741 0.806 0.011  0.096  0.043  45  LYS AAA HZ2  
652  H HZ3  . LYS A 45  ? 0.785 0.740 0.806 0.012  0.094  0.044  45  LYS AAA HZ3  
653  N N    . GLN A 46  ? 0.533 0.535 0.682 0.009  0.089  0.049  46  GLN AAA N    
654  C CA   . GLN A 46  ? 0.530 0.542 0.683 0.009  0.078  0.049  46  GLN AAA CA   
655  C C    . GLN A 46  ? 0.475 0.492 0.609 0.008  0.066  0.048  46  GLN AAA C    
656  O O    . GLN A 46  ? 0.400 0.411 0.513 0.008  0.068  0.046  46  GLN AAA O    
657  C CB   . GLN A 46  ? 0.607 0.612 0.752 0.009  0.085  0.048  46  GLN AAA CB   
658  C CG   . GLN A 46  ? 0.730 0.741 0.891 0.009  0.080  0.049  46  GLN AAA CG   
659  C CD   . GLN A 46  ? 0.838 0.842 0.986 0.009  0.086  0.048  46  GLN AAA CD   
660  O OE1  . GLN A 46  ? 0.940 0.932 1.080 0.009  0.098  0.048  46  GLN AAA OE1  
661  N NE2  . GLN A 46  ? 0.808 0.816 0.951 0.008  0.078  0.048  46  GLN AAA NE2  
662  H H    . GLN A 46  ? 0.549 0.542 0.686 0.010  0.096  0.048  46  GLN AAA H    
663  H HA   . GLN A 46  ? 0.526 0.543 0.697 0.009  0.075  0.050  46  GLN AAA HA   
664  H HB2  . GLN A 46  ? 0.625 0.622 0.773 0.009  0.095  0.049  46  GLN AAA HB2  
665  H HB3  . GLN A 46  ? 0.620 0.622 0.746 0.009  0.083  0.047  46  GLN AAA HB3  
666  H HG2  . GLN A 46  ? 0.712 0.729 0.872 0.009  0.070  0.049  46  GLN AAA HG2  
667  H HG3  . GLN A 46  ? 0.717 0.730 0.898 0.010  0.082  0.051  46  GLN AAA HG3  
668  H HE21 . GLN A 46  ? 0.820 0.824 0.952 0.008  0.080  0.046  46  GLN AAA HE21 
669  H HE22 . GLN A 46  ? 0.808 0.823 0.960 0.009  0.070  0.048  46  GLN AAA HE22 
670  N N    . ARG A 47  ? 0.420 0.445 0.562 0.008  0.055  0.048  47  ARG AAA N    
671  C CA   . ARG A 47  ? 0.420 0.450 0.546 0.008  0.045  0.047  47  ARG AAA CA   
672  C C    . ARG A 47  ? 0.406 0.432 0.514 0.007  0.048  0.045  47  ARG AAA C    
673  O O    . ARG A 47  ? 0.428 0.452 0.539 0.007  0.052  0.045  47  ARG AAA O    
674  C CB   . ARG A 47  ? 0.439 0.475 0.576 0.007  0.035  0.048  47  ARG AAA CB   
675  C CG   . ARG A 47  ? 0.462 0.502 0.585 0.007  0.026  0.047  47  ARG AAA CG   
676  C CD   . ARG A 47  ? 0.516 0.558 0.647 0.006  0.017  0.048  47  ARG AAA CD   
677  N NE   . ARG A 47  ? 0.516 0.560 0.658 0.006  0.011  0.049  47  ARG AAA NE   
678  C CZ   . ARG A 47  ? 0.509 0.553 0.664 0.006  0.004  0.051  47  ARG AAA CZ   
679  N NH1  . ARG A 47  ? 0.615 0.658 0.777 0.007  0.002  0.052  47  ARG AAA NH1  
680  N NH2  . ARG A 47  ? 0.513 0.558 0.676 0.005  -0.001 0.052  47  ARG AAA NH2  
681  H H    . ARG A 47  ? 0.428 0.457 0.586 0.008  0.053  0.049  47  ARG AAA H    
682  H HA   . ARG A 47  ? 0.420 0.449 0.541 0.008  0.045  0.047  47  ARG AAA HA   
683  H HB2  . ARG A 47  ? 0.437 0.475 0.588 0.007  0.034  0.049  47  ARG AAA HB2  
684  H HB3  . ARG A 47  ? 0.439 0.475 0.578 0.007  0.035  0.048  47  ARG AAA HB3  
685  H HG2  . ARG A 47  ? 0.469 0.508 0.581 0.006  0.027  0.046  47  ARG AAA HG2  
686  H HG3  . ARG A 47  ? 0.469 0.508 0.588 0.007  0.026  0.047  47  ARG AAA HG3  
687  H HD2  . ARG A 47  ? 0.503 0.545 0.643 0.007  0.018  0.049  47  ARG AAA HD2  
688  H HD3  . ARG A 47  ? 0.502 0.544 0.622 0.006  0.013  0.047  47  ARG AAA HD3  
689  H HE   . ARG A 47  ? 0.515 0.559 0.652 0.006  0.012  0.049  47  ARG AAA HE   
690  H HH11 . ARG A 47  ? 0.575 0.618 0.732 0.007  0.005  0.051  47  ARG AAA HH11 
691  H HH12 . ARG A 47  ? 0.576 0.620 0.747 0.007  -0.004 0.053  47  ARG AAA HH12 
692  H HH21 . ARG A 47  ? 0.513 0.558 0.672 0.005  0.000  0.051  47  ARG AAA HH21 
693  H HH22 . ARG A 47  ? 0.515 0.560 0.688 0.005  -0.007 0.053  47  ARG AAA HH22 
694  N N    . GLU A 48  ? 0.356 0.383 0.447 0.007  0.044  0.043  48  GLU AAA N    
695  C CA   . GLU A 48  ? 0.366 0.390 0.440 0.006  0.045  0.041  48  GLU AAA CA   
696  C C    . GLU A 48  ? 0.329 0.360 0.395 0.005  0.036  0.040  48  GLU AAA C    
697  O O    . GLU A 48  ? 0.295 0.329 0.362 0.006  0.032  0.040  48  GLU AAA O    
698  C CB   . GLU A 48  ? 0.413 0.428 0.472 0.006  0.051  0.040  48  GLU AAA CB   
699  C CG   . GLU A 48  ? 0.483 0.497 0.538 0.008  0.050  0.041  48  GLU AAA CG   
700  C CD   . GLU A 48  ? 0.571 0.574 0.605 0.008  0.054  0.040  48  GLU AAA CD   
701  O OE1  . GLU A 48  ? 0.692 0.691 0.713 0.008  0.053  0.038  48  GLU AAA OE1  
702  O OE2  . GLU A 48  ? 0.550 0.550 0.582 0.010  0.056  0.041  48  GLU AAA OE2  
703  H H    . GLU A 48  ? 0.367 0.396 0.456 0.007  0.041  0.044  48  GLU AAA H    
704  H HA   . GLU A 48  ? 0.367 0.390 0.442 0.005  0.047  0.041  48  GLU AAA HA   
705  H HB2  . GLU A 48  ? 0.423 0.436 0.470 0.006  0.050  0.039  48  GLU AAA HB2  
706  H HB3  . GLU A 48  ? 0.425 0.434 0.487 0.007  0.058  0.041  48  GLU AAA HB3  
707  H HG2  . GLU A 48  ? 0.481 0.494 0.546 0.008  0.054  0.042  48  GLU AAA HG2  
708  H HG3  . GLU A 48  ? 0.474 0.494 0.529 0.008  0.044  0.041  48  GLU AAA HG3  
709  N N    . LEU A 49  ? 0.331 0.363 0.390 0.004  0.034  0.038  49  LEU AAA N    
710  C CA   . LEU A 49  ? 0.287 0.324 0.339 0.003  0.027  0.036  49  LEU AAA CA   
711  C C    . LEU A 49  ? 0.276 0.311 0.316 0.004  0.027  0.035  49  LEU AAA C    
712  O O    . LEU A 49  ? 0.283 0.312 0.314 0.003  0.031  0.034  49  LEU AAA O    
713  C CB   . LEU A 49  ? 0.281 0.318 0.331 0.002  0.027  0.035  49  LEU AAA CB   
714  C CG   . LEU A 49  ? 0.285 0.327 0.330 0.001  0.022  0.033  49  LEU AAA CG   
715  C CD1  . LEU A 49  ? 0.257 0.303 0.306 0.001  0.017  0.034  49  LEU AAA CD1  
716  C CD2  . LEU A 49  ? 0.306 0.347 0.350 -0.001 0.023  0.031  49  LEU AAA CD2  
717  H H    . LEU A 49  ? 0.323 0.352 0.382 0.004  0.037  0.038  49  LEU AAA H    
718  H HA   . LEU A 49  ? 0.285 0.325 0.342 0.004  0.024  0.037  49  LEU AAA HA   
719  H HB2  . LEU A 49  ? 0.281 0.319 0.339 0.002  0.026  0.036  49  LEU AAA HB2  
720  H HB3  . LEU A 49  ? 0.289 0.322 0.335 0.001  0.030  0.034  49  LEU AAA HB3  
721  H HG   . LEU A 49  ? 0.285 0.327 0.324 0.001  0.021  0.032  49  LEU AAA HG   
722  H HD11 . LEU A 49  ? 0.263 0.309 0.313 0.002  0.017  0.035  49  LEU AAA HD11 
723  H HD12 . LEU A 49  ? 0.263 0.310 0.309 0.000  0.015  0.033  49  LEU AAA HD12 
724  H HD13 . LEU A 49  ? 0.262 0.307 0.317 0.001  0.017  0.035  49  LEU AAA HD13 
725  H HD21 . LEU A 49  ? 0.298 0.338 0.347 -0.001 0.023  0.032  49  LEU AAA HD21 
726  H HD22 . LEU A 49  ? 0.298 0.342 0.340 -0.002 0.021  0.030  49  LEU AAA HD22 
727  H HD23 . LEU A 49  ? 0.304 0.342 0.344 -0.002 0.026  0.030  49  LEU AAA HD23 
728  N N    . VAL A 50  ? 0.272 0.311 0.309 0.005  0.023  0.035  50  VAL AAA N    
729  C CA   . VAL A 50  ? 0.280 0.317 0.306 0.005  0.021  0.034  50  VAL AAA CA   
730  C C    . VAL A 50  ? 0.259 0.302 0.283 0.004  0.016  0.032  50  VAL AAA C    
731  O O    . VAL A 50  ? 0.255 0.296 0.270 0.005  0.014  0.030  50  VAL AAA O    
732  C CB   . VAL A 50  ? 0.297 0.333 0.323 0.008  0.022  0.036  50  VAL AAA CB   
733  C CG1  . VAL A 50  ? 0.333 0.362 0.363 0.008  0.029  0.037  50  VAL AAA CG1  
734  C CG2  . VAL A 50  ? 0.302 0.344 0.334 0.008  0.017  0.037  50  VAL AAA CG2  
735  H H    . VAL A 50  ? 0.268 0.310 0.310 0.005  0.020  0.036  50  VAL AAA H    
736  H HA   . VAL A 50  ? 0.286 0.317 0.306 0.005  0.024  0.033  50  VAL AAA HA   
737  H HB   . VAL A 50  ? 0.308 0.341 0.325 0.008  0.020  0.035  50  VAL AAA HB   
738  H HG11 . VAL A 50  ? 0.330 0.353 0.353 0.008  0.032  0.037  50  VAL AAA HG11 
739  H HG12 . VAL A 50  ? 0.325 0.352 0.353 0.009  0.029  0.038  50  VAL AAA HG12 
740  H HG13 . VAL A 50  ? 0.318 0.349 0.357 0.008  0.029  0.038  50  VAL AAA HG13 
741  H HG21 . VAL A 50  ? 0.294 0.337 0.333 0.008  0.018  0.038  50  VAL AAA HG21 
742  H HG22 . VAL A 50  ? 0.299 0.340 0.330 0.009  0.018  0.038  50  VAL AAA HG22 
743  H HG23 . VAL A 50  ? 0.295 0.341 0.327 0.008  0.014  0.035  50  VAL AAA HG23 
744  N N    . ALA A 51  ? 0.232 0.281 0.263 0.004  0.013  0.031  51  ALA AAA N    
745  C CA   . ALA A 51  ? 0.214 0.269 0.246 0.003  0.010  0.029  51  ALA AAA CA   
746  C C    . ALA A 51  ? 0.210 0.266 0.247 0.001  0.010  0.029  51  ALA AAA C    
747  O O    . ALA A 51  ? 0.200 0.255 0.241 0.002  0.010  0.031  51  ALA AAA O    
748  C CB   . ALA A 51  ? 0.208 0.266 0.240 0.005  0.007  0.030  51  ALA AAA CB   
749  H H    . ALA A 51  ? 0.229 0.278 0.265 0.004  0.014  0.033  51  ALA AAA H    
750  H HA   . ALA A 51  ? 0.220 0.274 0.248 0.002  0.009  0.028  51  ALA AAA HA   
751  H HB1  . ALA A 51  ? 0.208 0.270 0.242 0.004  0.005  0.029  51  ALA AAA HB1  
752  H HB2  . ALA A 51  ? 0.213 0.269 0.241 0.006  0.006  0.030  51  ALA AAA HB2  
753  H HB3  . ALA A 51  ? 0.206 0.264 0.241 0.005  0.007  0.032  51  ALA AAA HB3  
754  N N    . ALA A 52  ? 0.216 0.274 0.253 -0.001 0.010  0.027  52  ALA AAA N    
755  C CA   . ALA A 52  ? 0.207 0.265 0.247 -0.002 0.011  0.026  52  ALA AAA CA   
756  C C    . ALA A 52  ? 0.205 0.267 0.247 -0.004 0.010  0.024  52  ALA AAA C    
757  O O    . ALA A 52  ? 0.215 0.281 0.258 -0.004 0.008  0.022  52  ALA AAA O    
758  C CB   . ALA A 52  ? 0.211 0.265 0.250 -0.004 0.014  0.026  52  ALA AAA CB   
759  H H    . ALA A 52  ? 0.215 0.275 0.251 -0.001 0.009  0.025  52  ALA AAA H    
760  H HA   . ALA A 52  ? 0.207 0.264 0.248 -0.002 0.011  0.028  52  ALA AAA HA   
761  H HB1  . ALA A 52  ? 0.211 0.264 0.251 -0.005 0.015  0.025  52  ALA AAA HB1  
762  H HB2  . ALA A 52  ? 0.211 0.262 0.251 -0.003 0.015  0.027  52  ALA AAA HB2  
763  H HB3  . ALA A 52  ? 0.213 0.268 0.251 -0.005 0.014  0.024  52  ALA AAA HB3  
764  N N    . ILE A 53  ? 0.211 0.272 0.255 -0.005 0.012  0.024  53  ILE AAA N    
765  C CA   . ILE A 53  ? 0.199 0.263 0.247 -0.006 0.013  0.021  53  ILE AAA CA   
766  C C    . ILE A 53  ? 0.206 0.264 0.252 -0.008 0.017  0.021  53  ILE AAA C    
767  O O    . ILE A 53  ? 0.193 0.244 0.234 -0.007 0.018  0.023  53  ILE AAA O    
768  C CB   . ILE A 53  ? 0.196 0.261 0.245 -0.004 0.012  0.023  53  ILE AAA CB   
769  C CG1  . ILE A 53  ? 0.205 0.275 0.262 -0.004 0.014  0.020  53  ILE AAA CG1  
770  C CG2  . ILE A 53  ? 0.193 0.252 0.238 -0.003 0.013  0.025  53  ILE AAA CG2  
771  C CD1  . ILE A 53  ? 0.217 0.291 0.279 -0.002 0.013  0.021  53  ILE AAA CD1  
772  H H    . ILE A 53  ? 0.207 0.264 0.249 -0.004 0.013  0.025  53  ILE AAA H    
773  H HA   . ILE A 53  ? 0.202 0.270 0.253 -0.006 0.012  0.020  53  ILE AAA HA   
774  H HB   . ILE A 53  ? 0.196 0.264 0.245 -0.002 0.010  0.023  53  ILE AAA HB   
775  H HG12 . ILE A 53  ? 0.208 0.274 0.265 -0.006 0.018  0.020  53  ILE AAA HG12 
776  H HG13 . ILE A 53  ? 0.205 0.280 0.267 -0.005 0.013  0.019  53  ILE AAA HG13 
777  H HG21 . ILE A 53  ? 0.194 0.251 0.236 -0.002 0.012  0.027  53  ILE AAA HG21 
778  H HG22 . ILE A 53  ? 0.194 0.254 0.239 -0.001 0.012  0.026  53  ILE AAA HG22 
779  H HG23 . ILE A 53  ? 0.197 0.252 0.240 -0.004 0.016  0.025  53  ILE AAA HG23 
780  H HD11 . ILE A 53  ? 0.212 0.287 0.272 -0.000 0.010  0.022  53  ILE AAA HD11 
781  H HD12 . ILE A 53  ? 0.213 0.290 0.281 -0.002 0.014  0.020  53  ILE AAA HD12 
782  H HD13 . ILE A 53  ? 0.214 0.283 0.271 -0.001 0.015  0.023  53  ILE AAA HD13 
783  N N    . THR A 54  ? 0.203 0.264 0.254 -0.010 0.020  0.018  54  THR AAA N    
784  C CA   . THR A 54  ? 0.195 0.249 0.244 -0.012 0.025  0.016  54  THR AAA CA   
785  C C    . THR A 54  ? 0.202 0.249 0.247 -0.011 0.028  0.018  54  THR AAA C    
786  O O    . THR A 54  ? 0.192 0.242 0.239 -0.009 0.026  0.019  54  THR AAA O    
787  C CB   . THR A 54  ? 0.210 0.268 0.267 -0.015 0.028  0.013  54  THR AAA CB   
788  O OG1  . THR A 54  ? 0.192 0.257 0.259 -0.015 0.027  0.011  54  THR AAA OG1  
789  C CG2  . THR A 54  ? 0.216 0.278 0.274 -0.017 0.025  0.011  54  THR AAA CG2  
790  H H    . THR A 54  ? 0.200 0.266 0.256 -0.010 0.019  0.016  54  THR AAA H    
791  H HA   . THR A 54  ? 0.202 0.252 0.246 -0.012 0.025  0.017  54  THR AAA HA   
792  H HB   . THR A 54  ? 0.209 0.262 0.264 -0.017 0.032  0.012  54  THR AAA HB   
794  H HG21 . THR A 54  ? 0.216 0.273 0.268 -0.017 0.026  0.012  54  THR AAA HG21 
795  H HG22 . THR A 54  ? 0.216 0.280 0.279 -0.019 0.026  0.008  54  THR AAA HG22 
796  H HG23 . THR A 54  ? 0.212 0.278 0.270 -0.015 0.021  0.011  54  THR AAA HG23 
797  N N    . SER A 55  ? 0.203 0.240 0.242 -0.013 0.032  0.018  55  SER AAA N    
798  C CA   . SER A 55  ? 0.211 0.238 0.243 -0.012 0.037  0.018  55  SER AAA CA   
799  C C    . SER A 55  ? 0.226 0.259 0.268 -0.013 0.041  0.016  55  SER AAA C    
800  O O    . SER A 55  ? 0.223 0.251 0.261 -0.011 0.043  0.018  55  SER AAA O    
801  C CB   . SER A 55  ? 0.221 0.236 0.245 -0.014 0.042  0.018  55  SER AAA CB   
802  O OG   . SER A 55  ? 0.215 0.235 0.247 -0.017 0.047  0.014  55  SER AAA OG   
803  H H    . SER A 55  ? 0.206 0.241 0.243 -0.013 0.033  0.018  55  SER AAA H    
804  H HA   . SER A 55  ? 0.215 0.239 0.241 -0.011 0.034  0.021  55  SER AAA HA   
805  H HB2  . SER A 55  ? 0.228 0.234 0.244 -0.014 0.045  0.018  55  SER AAA HB2  
806  H HB3  . SER A 55  ? 0.220 0.233 0.239 -0.014 0.039  0.019  55  SER AAA HB3  
808  N N    . GLY A 56  ? 0.223 0.267 0.279 -0.014 0.041  0.013  56  GLY AAA N    
809  C CA   . GLY A 56  ? 0.217 0.265 0.285 -0.015 0.046  0.011  56  GLY AAA CA   
810  C C    . GLY A 56  ? 0.224 0.282 0.300 -0.012 0.040  0.012  56  GLY AAA C    
811  O O    . GLY A 56  ? 0.215 0.275 0.299 -0.012 0.044  0.012  56  GLY AAA O    
812  H H    . GLY A 56  ? 0.218 0.266 0.276 -0.015 0.039  0.013  56  GLY AAA H    
813  H HA2  . GLY A 56  ? 0.228 0.268 0.292 -0.015 0.052  0.011  56  GLY AAA HA2  
814  H HA3  . GLY A 56  ? 0.220 0.274 0.297 -0.017 0.047  0.009  56  GLY AAA HA3  
815  N N    . GLY A 57  ? 0.212 0.275 0.284 -0.011 0.033  0.014  57  GLY AAA N    
816  C CA   . GLY A 57  ? 0.215 0.285 0.292 -0.008 0.028  0.015  57  GLY AAA CA   
817  C C    . GLY A 57  ? 0.229 0.310 0.317 -0.008 0.023  0.013  57  GLY AAA C    
818  O O    . GLY A 57  ? 0.245 0.331 0.336 -0.005 0.018  0.015  57  GLY AAA O    
819  H H    . GLY A 57  ? 0.215 0.276 0.282 -0.011 0.031  0.014  57  GLY AAA H    
820  H HA2  . GLY A 57  ? 0.216 0.284 0.285 -0.007 0.025  0.017  57  GLY AAA HA2  
821  H HA3  . GLY A 57  ? 0.219 0.287 0.297 -0.007 0.031  0.016  57  GLY AAA HA3  
822  N N    . GLY A 58  ? 0.266 0.350 0.361 -0.011 0.023  0.010  58  GLY AAA N    
823  C CA   . GLY A 58  ? 0.275 0.371 0.384 -0.012 0.017  0.007  58  GLY AAA CA   
824  C C    . GLY A 58  ? 0.301 0.397 0.403 -0.013 0.011  0.007  58  GLY AAA C    
825  O O    . GLY A 58  ? 0.299 0.402 0.410 -0.014 0.006  0.004  58  GLY AAA O    
826  H H    . GLY A 58  ? 0.261 0.341 0.353 -0.013 0.026  0.009  58  GLY AAA H    
827  H HA2  . GLY A 58  ? 0.277 0.376 0.390 -0.009 0.015  0.008  58  GLY AAA HA2  
828  H HA3  . GLY A 58  ? 0.279 0.376 0.398 -0.014 0.021  0.005  58  GLY AAA HA3  
829  N N    . ASP A 59  ? 0.283 0.372 0.371 -0.013 0.012  0.009  59  ASP AAA N    
830  C CA   . ASP A 59  ? 0.280 0.367 0.360 -0.014 0.008  0.008  59  ASP AAA CA   
831  C C    . ASP A 59  ? 0.268 0.349 0.335 -0.011 0.008  0.011  59  ASP AAA C    
832  O O    . ASP A 59  ? 0.269 0.345 0.332 -0.010 0.012  0.014  59  ASP AAA O    
833  C CB   . ASP A 59  ? 0.286 0.369 0.366 -0.018 0.013  0.005  59  ASP AAA CB   
834  C CG   . ASP A 59  ? 0.331 0.412 0.405 -0.020 0.010  0.003  59  ASP AAA CG   
835  O OD1  . ASP A 59  ? 0.343 0.425 0.413 -0.019 0.004  0.004  59  ASP AAA OD1  
836  O OD2  . ASP A 59  ? 0.388 0.465 0.459 -0.023 0.014  0.002  59  ASP AAA OD2  
837  H H    . ASP A 59  ? 0.285 0.370 0.367 -0.012 0.015  0.011  59  ASP AAA H    
838  H HA   . ASP A 59  ? 0.281 0.372 0.365 -0.014 0.003  0.006  59  ASP AAA HA   
839  H HB2  . ASP A 59  ? 0.294 0.381 0.384 -0.019 0.014  0.003  59  ASP AAA HB2  
840  H HB3  . ASP A 59  ? 0.293 0.371 0.368 -0.018 0.017  0.007  59  ASP AAA HB3  
841  N N    . THR A 60  ? 0.277 0.357 0.338 -0.010 0.003  0.012  60  THR AAA N    
842  C CA   . THR A 60  ? 0.299 0.375 0.351 -0.008 0.002  0.015  60  THR AAA CA   
843  C C    . THR A 60  ? 0.331 0.401 0.373 -0.008 0.001  0.014  60  THR AAA C    
844  O O    . THR A 60  ? 0.319 0.389 0.360 -0.011 -0.001 0.011  60  THR AAA O    
845  C CB   . THR A 60  ? 0.324 0.403 0.377 -0.004 -0.001 0.017  60  THR AAA CB   
846  O OG1  . THR A 60  ? 0.348 0.431 0.404 -0.004 -0.007 0.015  60  THR AAA OG1  
847  C CG2  . THR A 60  ? 0.308 0.391 0.369 -0.003 0.001  0.018  60  THR AAA CG2  
848  H H    . THR A 60  ? 0.284 0.366 0.346 -0.011 -0.001 0.010  60  THR AAA H    
849  H HA   . THR A 60  ? 0.301 0.375 0.352 -0.007 0.006  0.016  60  THR AAA HA   
850  H HB   . THR A 60  ? 0.321 0.397 0.368 -0.003 -0.001 0.019  60  THR AAA HB   
852  H HG21 . THR A 60  ? 0.310 0.389 0.367 -0.003 0.004  0.019  60  THR AAA HG21 
853  H HG22 . THR A 60  ? 0.311 0.395 0.372 -0.001 -0.001 0.019  60  THR AAA HG22 
854  H HG23 . THR A 60  ? 0.311 0.397 0.379 -0.004 0.001  0.016  60  THR AAA HG23 
855  N N    . ASN A 61  ? 0.301 0.366 0.337 -0.007 0.004  0.017  61  ASN AAA N    
856  C CA   . ASN A 61  ? 0.344 0.401 0.369 -0.007 0.005  0.017  61  ASN AAA CA   
857  C C    . ASN A 61  ? 0.309 0.364 0.331 -0.003 0.005  0.020  61  ASN AAA C    
858  O O    . ASN A 61  ? 0.284 0.340 0.310 -0.002 0.007  0.023  61  ASN AAA O    
859  C CB   . ASN A 61  ? 0.373 0.426 0.398 -0.009 0.011  0.017  61  ASN AAA CB   
860  C CG   . ASN A 61  ? 0.473 0.517 0.489 -0.009 0.013  0.017  61  ASN AAA CG   
861  O OD1  . ASN A 61  ? 0.521 0.561 0.528 -0.010 0.011  0.015  61  ASN AAA OD1  
862  N ND2  . ASN A 61  ? 0.510 0.551 0.527 -0.010 0.019  0.018  61  ASN AAA ND2  
863  H H    . ASN A 61  ? 0.312 0.377 0.349 -0.005 0.006  0.019  61  ASN AAA H    
864  H HA   . ASN A 61  ? 0.341 0.398 0.363 -0.008 0.002  0.015  61  ASN AAA HA   
865  H HB2  . ASN A 61  ? 0.384 0.439 0.413 -0.010 0.011  0.015  61  ASN AAA HB2  
866  H HB3  . ASN A 61  ? 0.381 0.434 0.409 -0.007 0.013  0.019  61  ASN AAA HB3  
867  H HD21 . ASN A 61  ? 0.504 0.538 0.516 -0.010 0.022  0.018  61  ASN AAA HD21 
868  H HD22 . ASN A 61  ? 0.493 0.535 0.515 -0.010 0.020  0.019  61  ASN AAA HD22 
869  N N    . TYR A 62  ? 0.334 0.382 0.345 -0.003 0.004  0.020  62  TYR AAA N    
870  C CA   . TYR A 62  ? 0.322 0.365 0.327 0.000  0.006  0.023  62  TYR AAA CA   
871  C C    . TYR A 62  ? 0.339 0.369 0.333 0.000  0.011  0.023  62  TYR AAA C    
872  O O    . TYR A 62  ? 0.343 0.368 0.328 -0.002 0.010  0.021  62  TYR AAA O    
873  C CB   . TYR A 62  ? 0.317 0.361 0.318 0.003  -0.001 0.023  62  TYR AAA CB   
874  C CG   . TYR A 62  ? 0.289 0.343 0.302 0.003  -0.004 0.023  62  TYR AAA CG   
875  C CD1  . TYR A 62  ? 0.269 0.326 0.286 0.006  -0.003 0.026  62  TYR AAA CD1  
876  C CD2  . TYR A 62  ? 0.317 0.378 0.337 0.002  -0.009 0.020  62  TYR AAA CD2  
877  C CE1  . TYR A 62  ? 0.279 0.344 0.306 0.006  -0.005 0.026  62  TYR AAA CE1  
878  C CE2  . TYR A 62  ? 0.299 0.370 0.331 0.002  -0.011 0.020  62  TYR AAA CE2  
879  C CZ   . TYR A 62  ? 0.275 0.346 0.309 0.005  -0.008 0.023  62  TYR AAA CZ   
880  O OH   . TYR A 62  ? 0.263 0.342 0.308 0.006  -0.009 0.023  62  TYR AAA OH   
881  H H    . TYR A 62  ? 0.334 0.379 0.339 -0.004 0.002  0.019  62  TYR AAA H    
882  H HA   . TYR A 62  ? 0.317 0.362 0.329 0.001  0.008  0.025  62  TYR AAA HA   
883  H HB2  . TYR A 62  ? 0.323 0.364 0.318 0.002  -0.004 0.021  62  TYR AAA HB2  
884  H HB3  . TYR A 62  ? 0.318 0.357 0.314 0.004  0.001  0.025  62  TYR AAA HB3  
885  H HD1  . TYR A 62  ? 0.278 0.331 0.293 0.007  0.000  0.028  62  TYR AAA HD1  
886  H HD2  . TYR A 62  ? 0.311 0.371 0.328 -0.000 -0.010 0.019  62  TYR AAA HD2  
887  H HE1  . TYR A 62  ? 0.272 0.337 0.301 0.008  -0.004 0.027  62  TYR AAA HE1  
888  H HE2  . TYR A 62  ? 0.296 0.371 0.333 0.001  -0.013 0.019  62  TYR AAA HE2  
890  N N    . ALA A 63  ? 0.362 0.388 0.356 0.002  0.016  0.026  63  ALA AAA N    
891  C CA   . ALA A 63  ? 0.361 0.374 0.344 0.003  0.022  0.027  63  ALA AAA CA   
892  C C    . ALA A 63  ? 0.373 0.379 0.341 0.004  0.017  0.026  63  ALA AAA C    
893  O O    . ALA A 63  ? 0.347 0.358 0.315 0.006  0.011  0.027  63  ALA AAA O    
894  C CB   . ALA A 63  ? 0.341 0.353 0.332 0.004  0.028  0.030  63  ALA AAA CB   
895  H H    . ALA A 63  ? 0.345 0.375 0.347 0.003  0.017  0.028  63  ALA AAA H    
896  H HA   . ALA A 63  ? 0.364 0.373 0.345 0.001  0.025  0.026  63  ALA AAA HA   
897  H HB1  . ALA A 63  ? 0.355 0.358 0.339 0.005  0.033  0.031  63  ALA AAA HB1  
898  H HB2  . ALA A 63  ? 0.338 0.354 0.339 0.004  0.029  0.031  63  ALA AAA HB2  
899  H HB3  . ALA A 63  ? 0.342 0.358 0.335 0.006  0.025  0.031  63  ALA AAA HB3  
900  N N    . ASP A 64  ? 0.420 0.413 0.371 0.003  0.019  0.025  64  ASP AAA N    
901  C CA   . ASP A 64  ? 0.478 0.460 0.411 0.004  0.014  0.024  64  ASP AAA CA   
902  C C    . ASP A 64  ? 0.467 0.445 0.394 0.007  0.015  0.026  64  ASP AAA C    
903  O O    . ASP A 64  ? 0.457 0.433 0.376 0.009  0.007  0.026  64  ASP AAA O    
904  C CB   . ASP A 64  ? 0.578 0.542 0.491 0.002  0.018  0.022  64  ASP AAA CB   
905  C CG   . ASP A 64  ? 0.666 0.626 0.566 -0.000 0.008  0.019  64  ASP AAA CG   
906  O OD1  . ASP A 64  ? 0.736 0.709 0.648 -0.002 0.001  0.016  64  ASP AAA OD1  
907  O OD2  . ASP A 64  ? 0.735 0.678 0.613 0.001  0.006  0.018  64  ASP AAA OD2  
908  H H    . ASP A 64  ? 0.425 0.413 0.375 0.001  0.024  0.024  64  ASP AAA H    
909  H HA   . ASP A 64  ? 0.478 0.467 0.414 0.003  0.006  0.022  64  ASP AAA HA   
910  H HB2  . ASP A 64  ? 0.569 0.534 0.488 0.000  0.023  0.022  64  ASP AAA HB2  
911  H HB3  . ASP A 64  ? 0.585 0.537 0.487 0.003  0.022  0.023  64  ASP AAA HB3  
912  N N    . SER A 65  ? 0.439 0.415 0.373 0.009  0.024  0.029  65  SER AAA N    
913  C CA   . SER A 65  ? 0.448 0.418 0.378 0.012  0.027  0.032  65  SER AAA CA   
914  C C    . SER A 65  ? 0.424 0.409 0.366 0.014  0.020  0.033  65  SER AAA C    
915  O O    . SER A 65  ? 0.438 0.417 0.373 0.016  0.020  0.034  65  SER AAA O    
916  C CB   . SER A 65  ? 0.448 0.417 0.389 0.012  0.038  0.034  65  SER AAA CB   
917  O OG   . SER A 65  ? 0.498 0.482 0.460 0.011  0.037  0.034  65  SER AAA OG   
918  H H    . SER A 65  ? 0.439 0.418 0.382 0.007  0.028  0.029  65  SER AAA H    
919  H HA   . SER A 65  ? 0.462 0.420 0.376 0.012  0.027  0.031  65  SER AAA HA   
920  H HB2  . SER A 65  ? 0.468 0.430 0.404 0.013  0.041  0.035  65  SER AAA HB2  
921  H HB3  . SER A 65  ? 0.470 0.430 0.406 0.010  0.043  0.033  65  SER AAA HB3  
923  N N    . VAL A 66  ? 0.389 0.388 0.345 0.012  0.014  0.032  66  VAL AAA N    
924  C CA   . VAL A 66  ? 0.361 0.373 0.328 0.014  0.008  0.032  66  VAL AAA CA   
925  C C    . VAL A 66  ? 0.338 0.358 0.307 0.013  -0.001 0.030  66  VAL AAA C    
926  O O    . VAL A 66  ? 0.357 0.384 0.333 0.015  -0.006 0.031  66  VAL AAA O    
927  C CB   . VAL A 66  ? 0.343 0.364 0.327 0.013  0.012  0.034  66  VAL AAA CB   
928  C CG1  . VAL A 66  ? 0.342 0.357 0.328 0.013  0.020  0.036  66  VAL AAA CG1  
929  C CG2  . VAL A 66  ? 0.343 0.372 0.336 0.010  0.010  0.032  66  VAL AAA CG2  
930  H H    . VAL A 66  ? 0.386 0.389 0.346 0.010  0.014  0.030  66  VAL AAA H    
931  H HA   . VAL A 66  ? 0.365 0.372 0.326 0.016  0.009  0.034  66  VAL AAA HA   
932  H HB   . VAL A 66  ? 0.339 0.366 0.328 0.014  0.009  0.034  66  VAL AAA HB   
933  H HG11 . VAL A 66  ? 0.351 0.359 0.329 0.015  0.022  0.037  66  VAL AAA HG11 
934  H HG12 . VAL A 66  ? 0.334 0.354 0.330 0.013  0.021  0.036  66  VAL AAA HG12 
935  H HG13 . VAL A 66  ? 0.347 0.357 0.331 0.012  0.024  0.035  66  VAL AAA HG13 
936  H HG21 . VAL A 66  ? 0.346 0.370 0.334 0.009  0.012  0.031  66  VAL AAA HG21 
937  H HG22 . VAL A 66  ? 0.332 0.365 0.334 0.010  0.012  0.033  66  VAL AAA HG22 
938  H HG23 . VAL A 66  ? 0.338 0.373 0.333 0.010  0.005  0.031  66  VAL AAA HG23 
939  N N    . LYS A 67  ? 0.360 0.377 0.324 0.011  -0.004 0.028  67  LYS AAA N    
940  C CA   . LYS A 67  ? 0.396 0.421 0.364 0.010  -0.012 0.025  67  LYS AAA CA   
941  C C    . LYS A 67  ? 0.406 0.431 0.370 0.013  -0.021 0.026  67  LYS AAA C    
942  O O    . LYS A 67  ? 0.437 0.449 0.384 0.015  -0.021 0.027  67  LYS AAA O    
943  C CB   . LYS A 67  ? 0.418 0.436 0.378 0.006  -0.012 0.022  67  LYS AAA CB   
944  C CG   . LYS A 67  ? 0.486 0.510 0.450 0.005  -0.022 0.019  67  LYS AAA CG   
945  C CD   . LYS A 67  ? 0.476 0.516 0.460 0.003  -0.022 0.018  67  LYS AAA CD   
946  C CE   . LYS A 67  ? 0.569 0.614 0.559 -0.000 -0.028 0.014  67  LYS AAA CE   
947  N NZ   . LYS A 67  ? 0.592 0.652 0.602 -0.000 -0.031 0.013  67  LYS AAA NZ   
948  H H    . LYS A 67  ? 0.372 0.381 0.328 0.010  0.000  0.027  67  LYS AAA H    
949  H HA   . LYS A 67  ? 0.379 0.414 0.361 0.009  -0.012 0.025  67  LYS AAA HA   
950  H HB2  . LYS A 67  ? 0.422 0.443 0.389 0.005  -0.007 0.022  67  LYS AAA HB2  
951  H HB3  . LYS A 67  ? 0.442 0.449 0.388 0.007  -0.011 0.023  67  LYS AAA HB3  
952  H HG2  . LYS A 67  ? 0.477 0.495 0.433 0.002  -0.021 0.017  67  LYS AAA HG2  
953  H HG3  . LYS A 67  ? 0.467 0.489 0.425 0.006  -0.027 0.019  67  LYS AAA HG3  
954  H HD2  . LYS A 67  ? 0.490 0.535 0.480 0.005  -0.025 0.019  67  LYS AAA HD2  
955  H HD3  . LYS A 67  ? 0.485 0.527 0.475 0.003  -0.016 0.019  67  LYS AAA HD3  
956  H HE2  . LYS A 67  ? 0.554 0.596 0.542 -0.003 -0.024 0.013  67  LYS AAA HE2  
957  H HE3  . LYS A 67  ? 0.565 0.604 0.547 0.000  -0.034 0.013  67  LYS AAA HE3  
958  H HZ1  . LYS A 67  ? 0.583 0.644 0.595 0.002  -0.036 0.014  67  LYS AAA HZ1  
959  H HZ2  . LYS A 67  ? 0.581 0.643 0.596 -0.003 -0.032 0.011  67  LYS AAA HZ2  
960  H HZ3  . LYS A 67  ? 0.572 0.634 0.588 0.000  -0.026 0.015  67  LYS AAA HZ3  
961  N N    . GLY A 68  ? 0.379 0.416 0.358 0.014  -0.026 0.025  68  GLY AAA N    
962  C CA   . GLY A 68  ? 0.381 0.420 0.359 0.017  -0.034 0.026  68  GLY AAA CA   
963  C C    . GLY A 68  ? 0.368 0.406 0.345 0.021  -0.031 0.029  68  GLY AAA C    
964  O O    . GLY A 68  ? 0.406 0.449 0.389 0.024  -0.036 0.030  68  GLY AAA O    
965  H H    . GLY A 68  ? 0.371 0.417 0.361 0.012  -0.024 0.025  68  GLY AAA H    
966  H HA2  . GLY A 68  ? 0.373 0.422 0.363 0.017  -0.038 0.025  68  GLY AAA HA2  
967  H HA3  . GLY A 68  ? 0.393 0.423 0.358 0.017  -0.038 0.025  68  GLY AAA HA3  
968  N N    . ARG A 69  ? 0.359 0.391 0.331 0.021  -0.022 0.031  69  ARG AAA N    
969  C CA   . ARG A 69  ? 0.346 0.377 0.319 0.024  -0.018 0.034  69  ARG AAA CA   
970  C C    . ARG A 69  ? 0.325 0.368 0.316 0.022  -0.014 0.035  69  ARG AAA C    
971  O O    . ARG A 69  ? 0.309 0.356 0.306 0.025  -0.014 0.036  69  ARG AAA O    
972  C CB   . ARG A 69  ? 0.361 0.380 0.323 0.024  -0.010 0.036  69  ARG AAA CB   
973  C CG   . ARG A 69  ? 0.419 0.422 0.360 0.025  -0.012 0.036  69  ARG AAA CG   
974  C CD   . ARG A 69  ? 0.410 0.397 0.336 0.027  -0.004 0.038  69  ARG AAA CD   
975  N NE   . ARG A 69  ? 0.429 0.414 0.359 0.024  0.005  0.037  69  ARG AAA NE   
976  C CZ   . ARG A 69  ? 0.416 0.404 0.357 0.023  0.013  0.039  69  ARG AAA CZ   
977  N NH1  . ARG A 69  ? 0.410 0.403 0.357 0.026  0.012  0.041  69  ARG AAA NH1  
978  N NH2  . ARG A 69  ? 0.451 0.437 0.396 0.021  0.020  0.039  69  ARG AAA NH2  
979  H H    . ARG A 69  ? 0.360 0.387 0.328 0.019  -0.018 0.031  69  ARG AAA H    
980  H HA   . ARG A 69  ? 0.353 0.384 0.325 0.026  -0.023 0.035  69  ARG AAA HA   
981  H HB2  . ARG A 69  ? 0.362 0.382 0.328 0.022  -0.005 0.036  69  ARG AAA HB2  
982  H HB3  . ARG A 69  ? 0.366 0.384 0.329 0.026  -0.008 0.038  69  ARG AAA HB3  
983  H HG2  . ARG A 69  ? 0.411 0.414 0.348 0.027  -0.019 0.036  69  ARG AAA HG2  
984  H HG3  . ARG A 69  ? 0.407 0.409 0.346 0.023  -0.013 0.034  69  ARG AAA HG3  
985  H HD2  . ARG A 69  ? 0.418 0.406 0.346 0.029  -0.003 0.039  69  ARG AAA HD2  
986  H HD3  . ARG A 69  ? 0.436 0.412 0.347 0.028  -0.007 0.037  69  ARG AAA HD3  
987  H HE   . ARG A 69  ? 0.429 0.410 0.354 0.022  0.006  0.036  69  ARG AAA HE   
988  H HH11 . ARG A 69  ? 0.413 0.407 0.357 0.027  0.007  0.041  69  ARG AAA HH11 
989  H HH12 . ARG A 69  ? 0.405 0.399 0.359 0.025  0.017  0.042  69  ARG AAA HH12 
990  H HH21 . ARG A 69  ? 0.441 0.424 0.382 0.020  0.021  0.037  69  ARG AAA HH21 
991  H HH22 . ARG A 69  ? 0.430 0.418 0.384 0.021  0.025  0.040  69  ARG AAA HH22 
992  N N    . PHE A 70  ? 0.322 0.368 0.319 0.019  -0.011 0.033  70  PHE AAA N    
993  C CA   . PHE A 70  ? 0.310 0.364 0.320 0.017  -0.007 0.033  70  PHE AAA CA   
994  C C    . PHE A 70  ? 0.296 0.358 0.315 0.015  -0.010 0.031  70  PHE AAA C    
995  O O    . PHE A 70  ? 0.329 0.391 0.346 0.013  -0.012 0.029  70  PHE AAA O    
996  C CB   . PHE A 70  ? 0.325 0.375 0.335 0.015  -0.001 0.034  70  PHE AAA CB   
997  C CG   . PHE A 70  ? 0.335 0.377 0.340 0.017  0.004  0.036  70  PHE AAA CG   
998  C CD1  . PHE A 70  ? 0.348 0.384 0.344 0.020  0.003  0.038  70  PHE AAA CD1  
999  C CD2  . PHE A 70  ? 0.353 0.393 0.362 0.015  0.009  0.037  70  PHE AAA CD2  
1000 C CE1  . PHE A 70  ? 0.354 0.382 0.346 0.021  0.009  0.040  70  PHE AAA CE1  
1001 C CE2  . PHE A 70  ? 0.343 0.375 0.350 0.016  0.015  0.039  70  PHE AAA CE2  
1002 C CZ   . PHE A 70  ? 0.347 0.373 0.345 0.019  0.015  0.040  70  PHE AAA CZ   
1003 H H    . PHE A 70  ? 0.325 0.368 0.318 0.017  -0.010 0.032  70  PHE AAA H    
1004 H HA   . PHE A 70  ? 0.309 0.364 0.321 0.019  -0.007 0.035  70  PHE AAA HA   
1005 H HB2  . PHE A 70  ? 0.325 0.373 0.332 0.014  -0.001 0.033  70  PHE AAA HB2  
1006 H HB3  . PHE A 70  ? 0.314 0.369 0.332 0.014  0.000  0.034  70  PHE AAA HB3  
1007 H HD1  . PHE A 70  ? 0.350 0.387 0.344 0.021  -0.001 0.038  70  PHE AAA HD1  
1008 H HD2  . PHE A 70  ? 0.339 0.382 0.353 0.013  0.009  0.036  70  PHE AAA HD2  
1009 H HE1  . PHE A 70  ? 0.360 0.383 0.345 0.023  0.009  0.041  70  PHE AAA HE1  
1010 H HE2  . PHE A 70  ? 0.343 0.374 0.355 0.015  0.018  0.039  70  PHE AAA HE2  
1011 H HZ   . PHE A 70  ? 0.352 0.373 0.349 0.019  0.019  0.041  70  PHE AAA HZ   
1012 N N    . THR A 71  ? 0.286 0.355 0.316 0.015  -0.009 0.031  71  THR AAA N    
1013 C CA   . THR A 71  ? 0.265 0.341 0.305 0.013  -0.010 0.029  71  THR AAA CA   
1014 C C    . THR A 71  ? 0.235 0.310 0.278 0.012  -0.005 0.030  71  THR AAA C    
1015 O O    . THR A 71  ? 0.230 0.305 0.274 0.013  -0.003 0.032  71  THR AAA O    
1016 C CB   . THR A 71  ? 0.274 0.357 0.324 0.015  -0.013 0.029  71  THR AAA CB   
1017 O OG1  . THR A 71  ? 0.311 0.393 0.356 0.017  -0.020 0.029  71  THR AAA OG1  
1018 C CG2  . THR A 71  ? 0.290 0.380 0.352 0.013  -0.013 0.026  71  THR AAA CG2  
1019 H H    . THR A 71  ? 0.281 0.350 0.311 0.017  -0.008 0.033  71  THR AAA H    
1020 H HA   . THR A 71  ? 0.267 0.343 0.306 0.012  -0.011 0.027  71  THR AAA HA   
1021 H HB   . THR A 71  ? 0.279 0.362 0.330 0.017  -0.011 0.030  71  THR AAA HB   
1023 H HG21 . THR A 71  ? 0.280 0.369 0.344 0.012  -0.008 0.026  71  THR AAA HG21 
1024 H HG22 . THR A 71  ? 0.285 0.378 0.353 0.014  -0.015 0.026  71  THR AAA HG22 
1025 H HG23 . THR A 71  ? 0.286 0.375 0.346 0.011  -0.014 0.024  71  THR AAA HG23 
1026 N N    . ILE A 72  ? 0.229 0.305 0.275 0.009  -0.003 0.028  72  ILE AAA N    
1027 C CA   . ILE A 72  ? 0.216 0.289 0.263 0.007  0.001  0.028  72  ILE AAA CA   
1028 C C    . ILE A 72  ? 0.206 0.284 0.261 0.006  0.003  0.027  72  ILE AAA C    
1029 O O    . ILE A 72  ? 0.206 0.289 0.267 0.005  0.001  0.024  72  ILE AAA O    
1030 C CB   . ILE A 72  ? 0.212 0.282 0.256 0.005  0.003  0.028  72  ILE AAA CB   
1031 C CG1  . ILE A 72  ? 0.199 0.265 0.243 0.004  0.006  0.029  72  ILE AAA CG1  
1032 C CG2  . ILE A 72  ? 0.218 0.290 0.264 0.003  0.003  0.025  72  ILE AAA CG2  
1033 C CD1  . ILE A 72  ? 0.195 0.257 0.237 0.002  0.007  0.030  72  ILE AAA CD1  
1034 H H    . ILE A 72  ? 0.230 0.306 0.274 0.007  -0.004 0.027  72  ILE AAA H    
1035 H HA   . ILE A 72  ? 0.215 0.286 0.260 0.008  0.002  0.030  72  ILE AAA HA   
1036 H HB   . ILE A 72  ? 0.212 0.280 0.253 0.006  0.003  0.029  72  ILE AAA HB   
1037 H HG12 . ILE A 72  ? 0.201 0.267 0.247 0.003  0.007  0.028  72  ILE AAA HG12 
1038 H HG13 . ILE A 72  ? 0.201 0.265 0.243 0.005  0.006  0.031  72  ILE AAA HG13 
1039 H HG21 . ILE A 72  ? 0.220 0.293 0.263 0.003  0.000  0.025  72  ILE AAA HG21 
1040 H HG22 . ILE A 72  ? 0.217 0.286 0.261 0.001  0.004  0.025  72  ILE AAA HG22 
1041 H HG23 . ILE A 72  ? 0.216 0.291 0.266 0.002  0.003  0.024  72  ILE AAA HG23 
1042 H HD11 . ILE A 72  ? 0.197 0.257 0.238 0.003  0.006  0.031  72  ILE AAA HD11 
1043 H HD12 . ILE A 72  ? 0.197 0.255 0.238 0.002  0.007  0.031  72  ILE AAA HD12 
1044 H HD13 . ILE A 72  ? 0.197 0.259 0.240 0.001  0.008  0.028  72  ILE AAA HD13 
1045 N N    . SER A 73  ? 0.204 0.278 0.259 0.006  0.006  0.028  73  SER AAA N    
1046 C CA   . SER A 73  ? 0.210 0.285 0.271 0.005  0.010  0.026  73  SER AAA CA   
1047 C C    . SER A 73  ? 0.210 0.276 0.264 0.004  0.014  0.027  73  SER AAA C    
1048 O O    . SER A 73  ? 0.209 0.270 0.256 0.004  0.013  0.029  73  SER AAA O    
1049 C CB   . SER A 73  ? 0.214 0.294 0.282 0.008  0.009  0.026  73  SER AAA CB   
1050 O OG   . SER A 73  ? 0.232 0.307 0.295 0.010  0.010  0.029  73  SER AAA OG   
1051 H H    . SER A 73  ? 0.206 0.276 0.256 0.007  0.007  0.029  73  SER AAA H    
1052 H HA   . SER A 73  ? 0.209 0.287 0.274 0.004  0.010  0.024  73  SER AAA HA   
1053 H HB2  . SER A 73  ? 0.217 0.299 0.292 0.007  0.012  0.025  73  SER AAA HB2  
1054 H HB3  . SER A 73  ? 0.216 0.301 0.287 0.009  0.005  0.026  73  SER AAA HB3  
1056 N N    . ARG A 74  ? 0.225 0.288 0.282 0.003  0.019  0.026  74  ARG AAA N    
1057 C CA   . ARG A 74  ? 0.262 0.313 0.309 0.002  0.023  0.027  74  ARG AAA CA   
1058 C C    . ARG A 74  ? 0.268 0.316 0.318 0.002  0.030  0.026  74  ARG AAA C    
1059 O O    . ARG A 74  ? 0.295 0.350 0.358 0.002  0.032  0.024  74  ARG AAA O    
1060 C CB   . ARG A 74  ? 0.252 0.298 0.293 -0.001 0.023  0.026  74  ARG AAA CB   
1061 C CG   . ARG A 74  ? 0.257 0.305 0.304 -0.003 0.027  0.023  74  ARG AAA CG   
1062 C CD   . ARG A 74  ? 0.250 0.292 0.290 -0.005 0.027  0.023  74  ARG AAA CD   
1063 N NE   . ARG A 74  ? 0.270 0.300 0.297 -0.005 0.027  0.025  74  ARG AAA NE   
1064 C CZ   . ARG A 74  ? 0.258 0.281 0.279 -0.006 0.025  0.026  74  ARG AAA CZ   
1065 N NH1  . ARG A 74  ? 0.233 0.264 0.260 -0.006 0.024  0.025  74  ARG AAA NH1  
1066 N NH2  . ARG A 74  ? 0.280 0.291 0.289 -0.005 0.024  0.028  74  ARG AAA NH2  
1067 H H    . ARG A 74  ? 0.228 0.296 0.293 0.002  0.020  0.024  74  ARG AAA H    
1068 H HA   . ARG A 74  ? 0.254 0.302 0.296 0.003  0.021  0.028  74  ARG AAA HA   
1069 H HB2  . ARG A 74  ? 0.262 0.299 0.294 -0.001 0.024  0.027  74  ARG AAA HB2  
1070 H HB3  . ARG A 74  ? 0.252 0.301 0.293 -0.000 0.019  0.027  74  ARG AAA HB3  
1071 H HG2  . ARG A 74  ? 0.250 0.306 0.305 -0.003 0.026  0.022  74  ARG AAA HG2  
1072 H HG3  . ARG A 74  ? 0.259 0.302 0.305 -0.004 0.032  0.023  74  ARG AAA HG3  
1073 H HD2  . ARG A 74  ? 0.250 0.297 0.292 -0.004 0.023  0.024  74  ARG AAA HD2  
1074 H HD3  . ARG A 74  ? 0.256 0.299 0.300 -0.006 0.030  0.021  74  ARG AAA HD3  
1075 H HE   . ARG A 74  ? 0.268 0.291 0.290 -0.004 0.028  0.026  74  ARG AAA HE   
1076 H HH11 . ARG A 74  ? 0.236 0.274 0.269 -0.007 0.024  0.024  74  ARG AAA HH11 
1077 H HH12 . ARG A 74  ? 0.242 0.269 0.266 -0.007 0.023  0.026  74  ARG AAA HH12 
1078 H HH21 . ARG A 74  ? 0.280 0.285 0.284 -0.005 0.024  0.029  74  ARG AAA HH21 
1079 H HH22 . ARG A 74  ? 0.277 0.285 0.283 -0.006 0.022  0.029  74  ARG AAA HH22 
1080 N N    . ASP A 75  ? 0.301 0.336 0.339 0.002  0.033  0.027  75  ASP AAA N    
1081 C CA   . ASP A 75  ? 0.337 0.362 0.372 0.001  0.041  0.027  75  ASP AAA CA   
1082 C C    . ASP A 75  ? 0.342 0.352 0.363 -0.001 0.044  0.026  75  ASP AAA C    
1083 O O    . ASP A 75  ? 0.311 0.309 0.316 -0.001 0.041  0.028  75  ASP AAA O    
1084 C CB   . ASP A 75  ? 0.371 0.391 0.401 0.003  0.042  0.029  75  ASP AAA CB   
1085 C CG   . ASP A 75  ? 0.417 0.426 0.445 0.003  0.052  0.028  75  ASP AAA CG   
1086 O OD1  . ASP A 75  ? 0.432 0.429 0.452 0.001  0.058  0.027  75  ASP AAA OD1  
1087 O OD2  . ASP A 75  ? 0.467 0.481 0.502 0.006  0.053  0.029  75  ASP AAA OD2  
1088 H H    . ASP A 75  ? 0.302 0.332 0.332 0.002  0.030  0.029  75  ASP AAA H    
1089 H HA   . ASP A 75  ? 0.333 0.365 0.380 0.001  0.044  0.025  75  ASP AAA HA   
1090 H HB2  . ASP A 75  ? 0.364 0.394 0.403 0.005  0.039  0.029  75  ASP AAA HB2  
1091 H HB3  . ASP A 75  ? 0.374 0.388 0.394 0.003  0.038  0.030  75  ASP AAA HB3  
1092 N N    . ARG A 76  ? 0.326 0.336 0.353 -0.003 0.050  0.024  76  ARG AAA N    
1093 C CA   . ARG A 76  ? 0.373 0.370 0.387 -0.005 0.054  0.024  76  ARG AAA CA   
1094 C C    . ARG A 76  ? 0.383 0.359 0.379 -0.005 0.060  0.025  76  ARG AAA C    
1095 O O    . ARG A 76  ? 0.455 0.414 0.432 -0.006 0.058  0.026  76  ARG AAA O    
1096 C CB   . ARG A 76  ? 0.345 0.348 0.372 -0.007 0.059  0.021  76  ARG AAA CB   
1097 C CG   . ARG A 76  ? 0.352 0.372 0.391 -0.007 0.051  0.020  76  ARG AAA CG   
1098 C CD   . ARG A 76  ? 0.387 0.412 0.437 -0.010 0.056  0.017  76  ARG AAA CD   
1099 N NE   . ARG A 76  ? 0.405 0.417 0.440 -0.012 0.057  0.017  76  ARG AAA NE   
1100 C CZ   . ARG A 76  ? 0.405 0.404 0.434 -0.014 0.066  0.016  76  ARG AAA CZ   
1101 N NH1  . ARG A 76  ? 0.386 0.382 0.422 -0.014 0.076  0.014  76  ARG AAA NH1  
1102 N NH2  . ARG A 76  ? 0.413 0.401 0.428 -0.015 0.066  0.016  76  ARG AAA NH2  
1103 H H    . ARG A 76  ? 0.334 0.353 0.373 -0.003 0.052  0.023  76  ARG AAA H    
1104 H HA   . ARG A 76  ? 0.358 0.354 0.366 -0.005 0.048  0.025  76  ARG AAA HA   
1105 H HB2  . ARG A 76  ? 0.356 0.362 0.392 -0.007 0.064  0.019  76  ARG AAA HB2  
1106 H HB3  . ARG A 76  ? 0.364 0.357 0.382 -0.009 0.062  0.020  76  ARG AAA HB3  
1107 H HG2  . ARG A 76  ? 0.354 0.372 0.386 -0.007 0.046  0.021  76  ARG AAA HG2  
1108 H HG3  . ARG A 76  ? 0.348 0.377 0.395 -0.006 0.048  0.020  76  ARG AAA HG3  
1109 H HD2  . ARG A 76  ? 0.371 0.407 0.430 -0.010 0.051  0.016  76  ARG AAA HD2  
1110 H HD3  . ARG A 76  ? 0.384 0.407 0.440 -0.010 0.062  0.015  76  ARG AAA HD3  
1111 H HE   . ARG A 76  ? 0.396 0.409 0.427 -0.011 0.052  0.018  76  ARG AAA HE   
1112 H HH11 . ARG A 76  ? 0.390 0.394 0.436 -0.013 0.076  0.013  76  ARG AAA HH11 
1113 H HH12 . ARG A 76  ? 0.404 0.391 0.435 -0.016 0.083  0.013  76  ARG AAA HH12 
1114 H HH21 . ARG A 76  ? 0.409 0.398 0.420 -0.014 0.060  0.017  76  ARG AAA HH21 
1115 H HH22 . ARG A 76  ? 0.422 0.399 0.431 -0.016 0.072  0.015  76  ARG AAA HH22 
1116 N N    . ALA A 77  ? 0.400 0.374 0.401 -0.004 0.067  0.024  77  ALA AAA N    
1117 C CA   . ALA A 77  ? 0.423 0.374 0.404 -0.005 0.074  0.025  77  ALA AAA CA   
1118 C C    . ALA A 77  ? 0.414 0.357 0.379 -0.004 0.066  0.028  77  ALA AAA C    
1119 O O    . ALA A 77  ? 0.454 0.376 0.397 -0.004 0.067  0.029  77  ALA AAA O    
1120 C CB   . ALA A 77  ? 0.434 0.387 0.428 -0.004 0.085  0.024  77  ALA AAA CB   
1121 H H    . ALA A 77  ? 0.390 0.375 0.405 -0.004 0.068  0.023  77  ALA AAA H    
1122 H HA   . ALA A 77  ? 0.432 0.371 0.403 -0.006 0.078  0.024  77  ALA AAA HA   
1123 H HB1  . ALA A 77  ? 0.445 0.383 0.426 -0.004 0.091  0.024  77  ALA AAA HB1  
1124 H HB2  . ALA A 77  ? 0.428 0.387 0.434 -0.005 0.090  0.022  77  ALA AAA HB2  
1125 H HB3  . ALA A 77  ? 0.421 0.386 0.425 -0.002 0.081  0.024  77  ALA AAA HB3  
1126 N N    . LYS A 78  ? 0.400 0.359 0.376 -0.002 0.057  0.029  78  LYS AAA N    
1127 C CA   . LYS A 78  ? 0.454 0.405 0.416 -0.001 0.050  0.031  78  LYS AAA CA   
1128 C C    . LYS A 78  ? 0.415 0.368 0.373 -0.002 0.040  0.032  78  LYS AAA C    
1129 O O    . LYS A 78  ? 0.431 0.378 0.380 -0.002 0.033  0.034  78  LYS AAA O    
1130 C CB   . LYS A 78  ? 0.503 0.467 0.478 0.001  0.048  0.032  78  LYS AAA CB   
1131 C CG   . LYS A 78  ? 0.601 0.560 0.577 0.002  0.058  0.032  78  LYS AAA CG   
1132 C CD   . LYS A 78  ? 0.667 0.636 0.652 0.005  0.056  0.033  78  LYS AAA CD   
1133 C CE   . LYS A 78  ? 0.805 0.765 0.789 0.006  0.066  0.033  78  LYS AAA CE   
1134 N NZ   . LYS A 78  ? 0.871 0.843 0.867 0.009  0.065  0.034  78  LYS AAA NZ   
1135 H H    . LYS A 78  ? 0.399 0.372 0.389 -0.001 0.056  0.028  78  LYS AAA H    
1136 H HA   . LYS A 78  ? 0.463 0.397 0.410 -0.002 0.054  0.031  78  LYS AAA HA   
1137 H HB2  . LYS A 78  ? 0.494 0.473 0.482 0.002  0.046  0.031  78  LYS AAA HB2  
1138 H HB3  . LYS A 78  ? 0.507 0.469 0.475 0.001  0.042  0.033  78  LYS AAA HB3  
1139 H HG2  . LYS A 78  ? 0.608 0.551 0.569 0.001  0.061  0.032  78  LYS AAA HG2  
1140 H HG3  . LYS A 78  ? 0.591 0.555 0.578 0.002  0.064  0.030  78  LYS AAA HG3  
1141 H HD2  . LYS A 78  ? 0.663 0.647 0.663 0.006  0.053  0.032  78  LYS AAA HD2  
1142 H HD3  . LYS A 78  ? 0.677 0.642 0.654 0.005  0.050  0.034  78  LYS AAA HD3  
1143 H HE2  . LYS A 78  ? 0.802 0.746 0.770 0.005  0.068  0.033  78  LYS AAA HE2  
1144 H HE3  . LYS A 78  ? 0.789 0.751 0.781 0.006  0.073  0.031  78  LYS AAA HE3  
1145 H HZ1  . LYS A 78  ? 0.836 0.822 0.847 0.010  0.062  0.033  78  LYS AAA HZ1  
1146 H HZ2  . LYS A 78  ? 0.854 0.820 0.850 0.010  0.071  0.034  78  LYS AAA HZ2  
1147 H HZ3  . LYS A 78  ? 0.846 0.817 0.836 0.009  0.059  0.035  78  LYS AAA HZ3  
1148 N N    . ASN A 79  ? 0.372 0.332 0.337 -0.003 0.038  0.031  79  ASN AAA N    
1149 C CA   . ASN A 79  ? 0.347 0.309 0.310 -0.003 0.029  0.033  79  ASN AAA CA   
1150 C C    . ASN A 79  ? 0.304 0.280 0.278 -0.001 0.021  0.034  79  ASN AAA C    
1151 O O    . ASN A 79  ? 0.284 0.256 0.253 -0.001 0.014  0.036  79  ASN AAA O    
1152 C CB   . ASN A 79  ? 0.385 0.326 0.327 -0.004 0.025  0.034  79  ASN AAA CB   
1153 C CG   . ASN A 79  ? 0.391 0.314 0.318 -0.005 0.033  0.033  79  ASN AAA CG   
1154 O OD1  . ASN A 79  ? 0.473 0.375 0.381 -0.006 0.036  0.033  79  ASN AAA OD1  
1155 N ND2  . ASN A 79  ? 0.371 0.300 0.305 -0.006 0.037  0.031  79  ASN AAA ND2  
1156 H H    . ASN A 79  ? 0.372 0.337 0.344 -0.003 0.043  0.030  79  ASN AAA H    
1157 H HA   . ASN A 79  ? 0.344 0.311 0.313 -0.003 0.030  0.032  79  ASN AAA HA   
1158 H HB2  . ASN A 79  ? 0.383 0.318 0.319 -0.004 0.024  0.035  79  ASN AAA HB2  
1159 H HB3  . ASN A 79  ? 0.375 0.317 0.317 -0.004 0.019  0.035  79  ASN AAA HB3  
1160 H HD21 . ASN A 79  ? 0.383 0.305 0.314 -0.007 0.044  0.030  79  ASN AAA HD21 
1161 H HD22 . ASN A 79  ? 0.365 0.305 0.309 -0.006 0.033  0.032  79  ASN AAA HD22 
1162 N N    . MET A 80  ? 0.298 0.291 0.288 -0.000 0.023  0.033  80  MET AAA N    
1163 C CA   . MET A 80  ? 0.304 0.308 0.303 0.001  0.018  0.034  80  MET AAA CA   
1164 C C    . MET A 80  ? 0.256 0.275 0.268 0.002  0.017  0.033  80  MET AAA C    
1165 O O    . MET A 80  ? 0.241 0.265 0.259 0.001  0.021  0.031  80  MET AAA O    
1166 C CB   . MET A 80  ? 0.351 0.358 0.353 0.003  0.021  0.034  80  MET AAA CB   
1167 C CG   . MET A 80  ? 0.407 0.397 0.394 0.003  0.024  0.035  80  MET AAA CG   
1168 S SD   . MET A 80  ? 0.498 0.480 0.475 0.002  0.016  0.037  80  MET AAA SD   
1169 C CE   . MET A 80  ? 0.445 0.443 0.436 0.005  0.014  0.038  80  MET AAA CE   
1170 H H    . MET A 80  ? 0.299 0.295 0.294 -0.000 0.028  0.032  80  MET AAA H    
1171 H HA   . MET A 80  ? 0.303 0.304 0.297 0.001  0.013  0.035  80  MET AAA HA   
1172 H HB2  . MET A 80  ? 0.345 0.357 0.354 0.004  0.025  0.033  80  MET AAA HB2  
1173 H HB3  . MET A 80  ? 0.342 0.355 0.348 0.004  0.018  0.035  80  MET AAA HB3  
1174 H HG2  . MET A 80  ? 0.422 0.404 0.403 0.002  0.027  0.034  80  MET AAA HG2  
1175 H HG3  . MET A 80  ? 0.414 0.407 0.405 0.004  0.028  0.035  80  MET AAA HG3  
1176 H HE1  . MET A 80  ? 0.459 0.453 0.446 0.005  0.011  0.039  80  MET AAA HE1  
1177 H HE2  . MET A 80  ? 0.455 0.456 0.449 0.006  0.018  0.038  80  MET AAA HE2  
1178 H HE3  . MET A 80  ? 0.448 0.454 0.446 0.005  0.011  0.038  80  MET AAA HE3  
1179 N N    . VAL A 81  ? 0.237 0.262 0.253 0.003  0.012  0.034  81  VAL AAA N    
1180 C CA   . VAL A 81  ? 0.239 0.277 0.265 0.003  0.010  0.033  81  VAL AAA CA   
1181 C C    . VAL A 81  ? 0.225 0.268 0.254 0.005  0.008  0.035  81  VAL AAA C    
1182 O O    . VAL A 81  ? 0.232 0.270 0.258 0.006  0.006  0.037  81  VAL AAA O    
1183 C CB   . VAL A 81  ? 0.258 0.297 0.286 0.002  0.008  0.034  81  VAL AAA CB   
1184 C CG1  . VAL A 81  ? 0.253 0.301 0.288 0.002  0.008  0.033  81  VAL AAA CG1  
1185 C CG2  . VAL A 81  ? 0.308 0.339 0.330 0.000  0.010  0.033  81  VAL AAA CG2  
1186 H H    . VAL A 81  ? 0.244 0.266 0.257 0.003  0.009  0.036  81  VAL AAA H    
1187 H HA   . VAL A 81  ? 0.237 0.279 0.267 0.003  0.013  0.032  81  VAL AAA HA   
1188 H HB   . VAL A 81  ? 0.263 0.298 0.289 0.002  0.005  0.035  81  VAL AAA HB   
1189 H HG11 . VAL A 81  ? 0.250 0.301 0.286 0.004  0.007  0.033  81  VAL AAA HG11 
1190 H HG12 . VAL A 81  ? 0.252 0.300 0.287 0.002  0.007  0.033  81  VAL AAA HG12 
1191 H HG13 . VAL A 81  ? 0.252 0.303 0.289 0.002  0.010  0.031  81  VAL AAA HG13 
1192 H HG21 . VAL A 81  ? 0.294 0.327 0.318 -0.000 0.013  0.031  81  VAL AAA HG21 
1193 H HG22 . VAL A 81  ? 0.291 0.324 0.316 -0.000 0.009  0.033  81  VAL AAA HG22 
1194 H HG23 . VAL A 81  ? 0.300 0.323 0.315 0.000  0.009  0.034  81  VAL AAA HG23 
1195 N N    . TYR A 82  ? 0.228 0.279 0.263 0.007  0.009  0.034  82  TYR AAA N    
1196 C CA   . TYR A 82  ? 0.223 0.278 0.260 0.009  0.007  0.035  82  TYR AAA CA   
1197 C C    . TYR A 82  ? 0.228 0.288 0.267 0.010  0.005  0.035  82  TYR AAA C    
1198 O O    . TYR A 82  ? 0.231 0.295 0.273 0.009  0.005  0.033  82  TYR AAA O    
1199 C CB   . TYR A 82  ? 0.239 0.297 0.280 0.011  0.009  0.035  82  TYR AAA CB   
1200 C CG   . TYR A 82  ? 0.263 0.313 0.300 0.010  0.013  0.035  82  TYR AAA CG   
1201 C CD1  . TYR A 82  ? 0.286 0.329 0.316 0.011  0.013  0.036  82  TYR AAA CD1  
1202 C CD2  . TYR A 82  ? 0.306 0.357 0.347 0.009  0.017  0.033  82  TYR AAA CD2  
1203 C CE1  . TYR A 82  ? 0.300 0.334 0.324 0.010  0.017  0.037  82  TYR AAA CE1  
1204 C CE2  . TYR A 82  ? 0.318 0.360 0.354 0.009  0.022  0.033  82  TYR AAA CE2  
1205 C CZ   . TYR A 82  ? 0.308 0.341 0.334 0.009  0.022  0.035  82  TYR AAA CZ   
1206 O OH   . TYR A 82  ? 0.362 0.384 0.382 0.009  0.028  0.035  82  TYR AAA OH   
1207 H H    . TYR A 82  ? 0.225 0.279 0.264 0.006  0.010  0.032  82  TYR AAA H    
1208 H HA   . TYR A 82  ? 0.229 0.280 0.263 0.009  0.007  0.036  82  TYR AAA HA   
1209 H HB2  . TYR A 82  ? 0.238 0.301 0.284 0.011  0.009  0.033  82  TYR AAA HB2  
1210 H HB3  . TYR A 82  ? 0.239 0.299 0.280 0.013  0.008  0.036  82  TYR AAA HB3  
1211 H HD1  . TYR A 82  ? 0.283 0.326 0.311 0.011  0.011  0.038  82  TYR AAA HD1  
1212 H HD2  . TYR A 82  ? 0.293 0.350 0.340 0.009  0.017  0.032  82  TYR AAA HD2  
1213 H HE1  . TYR A 82  ? 0.304 0.331 0.322 0.010  0.017  0.038  82  TYR AAA HE1  
1214 H HE2  . TYR A 82  ? 0.314 0.355 0.353 0.008  0.026  0.032  82  TYR AAA HE2  
1216 N N    . LEU A 83  ? 0.225 0.284 0.262 0.011  0.004  0.036  83  LEU AAA N    
1217 C CA   . LEU A 83  ? 0.215 0.278 0.253 0.013  0.003  0.036  83  LEU AAA CA   
1218 C C    . LEU A 83  ? 0.234 0.297 0.270 0.016  0.002  0.038  83  LEU AAA C    
1219 O O    . LEU A 83  ? 0.210 0.268 0.243 0.016  0.003  0.039  83  LEU AAA O    
1220 C CB   . LEU A 83  ? 0.209 0.267 0.245 0.012  0.004  0.037  83  LEU AAA CB   
1221 C CG   . LEU A 83  ? 0.212 0.270 0.244 0.012  0.004  0.037  83  LEU AAA CG   
1222 C CD1  . LEU A 83  ? 0.219 0.280 0.252 0.011  0.003  0.034  83  LEU AAA CD1  
1223 C CD2  . LEU A 83  ? 0.214 0.267 0.246 0.012  0.007  0.038  83  LEU AAA CD2  
1224 H H    . LEU A 83  ? 0.224 0.281 0.260 0.012  0.004  0.038  83  LEU AAA H    
1225 H HA   . LEU A 83  ? 0.219 0.284 0.257 0.012  0.002  0.035  83  LEU AAA HA   
1226 H HB2  . LEU A 83  ? 0.209 0.267 0.246 0.010  0.004  0.037  83  LEU AAA HB2  
1227 H HB3  . LEU A 83  ? 0.211 0.267 0.246 0.012  0.004  0.039  83  LEU AAA HB3  
1228 H HG   . LEU A 83  ? 0.216 0.274 0.246 0.014  0.003  0.037  83  LEU AAA HG   
1229 H HD11 . LEU A 83  ? 0.217 0.281 0.251 0.011  0.002  0.033  83  LEU AAA HD11 
1230 H HD12 . LEU A 83  ? 0.221 0.279 0.250 0.011  0.004  0.034  83  LEU AAA HD12 
1231 H HD13 . LEU A 83  ? 0.215 0.275 0.250 0.009  0.004  0.034  83  LEU AAA HD13 
1232 H HD21 . LEU A 83  ? 0.211 0.264 0.247 0.011  0.007  0.038  83  LEU AAA HD21 
1233 H HD22 . LEU A 83  ? 0.217 0.268 0.246 0.012  0.008  0.038  83  LEU AAA HD22 
1234 H HD23 . LEU A 83  ? 0.214 0.266 0.246 0.013  0.007  0.039  83  LEU AAA HD23 
1235 N N    . GLN A 84  ? 0.212 0.278 0.249 0.017  -0.000 0.037  84  GLN AAA N    
1236 C CA   . GLN A 84  ? 0.246 0.312 0.280 0.021  -0.002 0.038  84  GLN AAA CA   
1237 C C    . GLN A 84  ? 0.263 0.325 0.289 0.021  -0.003 0.038  84  GLN AAA C    
1238 O O    . GLN A 84  ? 0.270 0.333 0.295 0.020  -0.005 0.037  84  GLN AAA O    
1239 C CB   . GLN A 84  ? 0.274 0.347 0.315 0.022  -0.005 0.037  84  GLN AAA CB   
1240 C CG   . GLN A 84  ? 0.289 0.361 0.328 0.026  -0.008 0.038  84  GLN AAA CG   
1241 C CD   . GLN A 84  ? 0.318 0.387 0.356 0.028  -0.004 0.040  84  GLN AAA CD   
1242 O OE1  . GLN A 84  ? 0.342 0.410 0.383 0.027  -0.000 0.040  84  GLN AAA OE1  
1243 N NE2  . GLN A 84  ? 0.357 0.420 0.387 0.031  -0.005 0.042  84  GLN AAA NE2  
1244 H H    . GLN A 84  ? 0.224 0.293 0.263 0.016  -0.001 0.035  84  GLN AAA H    
1245 H HA   . GLN A 84  ? 0.247 0.311 0.280 0.022  -0.000 0.039  84  GLN AAA HA   
1246 H HB2  . GLN A 84  ? 0.267 0.341 0.312 0.021  -0.003 0.036  84  GLN AAA HB2  
1247 H HB3  . GLN A 84  ? 0.270 0.344 0.312 0.021  -0.007 0.035  84  GLN AAA HB3  
1248 H HG2  . GLN A 84  ? 0.293 0.370 0.339 0.027  -0.010 0.037  84  GLN AAA HG2  
1249 H HG3  . GLN A 84  ? 0.298 0.367 0.331 0.027  -0.010 0.038  84  GLN AAA HG3  
1250 H HE21 . GLN A 84  ? 0.347 0.407 0.374 0.031  -0.002 0.043  84  GLN AAA HE21 
1251 H HE22 . GLN A 84  ? 0.350 0.414 0.378 0.032  -0.008 0.042  84  GLN AAA HE22 
1252 N N    . MET A 85  ? 0.267 0.323 0.288 0.023  -0.001 0.040  85  MET AAA N    
1253 C CA   . MET A 85  ? 0.322 0.370 0.333 0.024  0.000  0.041  85  MET AAA CA   
1254 C C    . MET A 85  ? 0.337 0.382 0.341 0.028  -0.002 0.042  85  MET AAA C    
1255 O O    . MET A 85  ? 0.354 0.396 0.357 0.030  -0.000 0.044  85  MET AAA O    
1256 C CB   . MET A 85  ? 0.338 0.381 0.350 0.022  0.006  0.042  85  MET AAA CB   
1257 C CG   . MET A 85  ? 0.343 0.390 0.363 0.019  0.007  0.041  85  MET AAA CG   
1258 S SD   . MET A 85  ? 0.360 0.403 0.385 0.018  0.011  0.043  85  MET AAA SD   
1259 C CE   . MET A 85  ? 0.356 0.394 0.379 0.017  0.015  0.043  85  MET AAA CE   
1260 H H    . MET A 85  ? 0.276 0.331 0.298 0.024  0.001  0.041  85  MET AAA H    
1261 H HA   . MET A 85  ? 0.318 0.366 0.328 0.023  -0.001 0.040  85  MET AAA HA   
1262 H HB2  . MET A 85  ? 0.336 0.379 0.349 0.024  0.007  0.043  85  MET AAA HB2  
1263 H HB3  . MET A 85  ? 0.342 0.380 0.349 0.023  0.008  0.042  85  MET AAA HB3  
1264 H HG2  . MET A 85  ? 0.345 0.392 0.364 0.018  0.007  0.040  85  MET AAA HG2  
1265 H HG3  . MET A 85  ? 0.340 0.391 0.364 0.019  0.005  0.041  85  MET AAA HG3  
1266 H HE1  . MET A 85  ? 0.359 0.394 0.386 0.017  0.018  0.044  85  MET AAA HE1  
1267 H HE2  . MET A 85  ? 0.365 0.399 0.380 0.019  0.016  0.043  85  MET AAA HE2  
1268 H HE3  . MET A 85  ? 0.356 0.396 0.381 0.016  0.014  0.042  85  MET AAA HE3  
1269 N N    . ASN A 86  ? 0.354 0.397 0.351 0.029  -0.007 0.041  86  ASN AAA N    
1270 C CA   . ASN A 86  ? 0.373 0.410 0.360 0.033  -0.011 0.043  86  ASN AAA CA   
1271 C C    . ASN A 86  ? 0.390 0.413 0.360 0.034  -0.008 0.043  86  ASN AAA C    
1272 O O    . ASN A 86  ? 0.366 0.386 0.333 0.031  -0.005 0.042  86  ASN AAA O    
1273 C CB   . ASN A 86  ? 0.381 0.424 0.373 0.035  -0.019 0.041  86  ASN AAA CB   
1274 C CG   . ASN A 86  ? 0.382 0.437 0.391 0.034  -0.019 0.041  86  ASN AAA CG   
1275 O OD1  . ASN A 86  ? 0.386 0.441 0.398 0.035  -0.015 0.042  86  ASN AAA OD1  
1276 N ND2  . ASN A 86  ? 0.431 0.494 0.449 0.033  -0.023 0.038  86  ASN AAA ND2  
1277 H H    . ASN A 86  ? 0.353 0.398 0.351 0.027  -0.008 0.040  86  ASN AAA H    
1278 H HA   . ASN A 86  ? 0.372 0.409 0.361 0.035  -0.009 0.044  86  ASN AAA HA   
1279 H HB2  . ASN A 86  ? 0.385 0.428 0.375 0.033  -0.021 0.040  86  ASN AAA HB2  
1280 H HB3  . ASN A 86  ? 0.392 0.430 0.377 0.038  -0.022 0.042  86  ASN AAA HB3  
1281 H HD21 . ASN A 86  ? 0.407 0.476 0.435 0.032  -0.022 0.038  86  ASN AAA HD21 
1282 H HD22 . ASN A 86  ? 0.418 0.480 0.433 0.032  -0.027 0.037  86  ASN AAA HD22 
1283 N N    . SER A 87  ? 0.417 0.430 0.375 0.037  -0.009 0.045  87  SER AAA N    
1284 C CA   . SER A 87  ? 0.443 0.440 0.382 0.038  -0.007 0.046  87  SER AAA CA   
1285 C C    . SER A 87  ? 0.399 0.390 0.337 0.036  0.004  0.046  87  SER AAA C    
1286 O O    . SER A 87  ? 0.390 0.373 0.320 0.034  0.006  0.045  87  SER AAA O    
1287 C CB   . SER A 87  ? 0.496 0.488 0.424 0.038  -0.014 0.044  87  SER AAA CB   
1288 O OG   . SER A 87  ? 0.547 0.544 0.477 0.041  -0.024 0.044  87  SER AAA OG   
1289 H H    . SER A 87  ? 0.415 0.430 0.375 0.040  -0.011 0.046  87  SER AAA H    
1290 H HA   . SER A 87  ? 0.448 0.439 0.379 0.041  -0.007 0.047  87  SER AAA HA   
1291 H HB2  . SER A 87  ? 0.488 0.487 0.424 0.035  -0.014 0.042  87  SER AAA HB2  
1292 H HB3  . SER A 87  ? 0.509 0.489 0.423 0.039  -0.011 0.044  87  SER AAA HB3  
1294 N N    . LEU A 88  ? 0.389 0.384 0.337 0.035  0.009  0.047  88  LEU AAA N    
1295 C CA   . LEU A 88  ? 0.390 0.383 0.345 0.032  0.018  0.047  88  LEU AAA CA   
1296 C C    . LEU A 88  ? 0.420 0.395 0.358 0.033  0.026  0.048  88  LEU AAA C    
1297 O O    . LEU A 88  ? 0.429 0.393 0.353 0.037  0.025  0.049  88  LEU AAA O    
1298 C CB   . LEU A 88  ? 0.380 0.380 0.349 0.031  0.021  0.048  88  LEU AAA CB   
1299 C CG   . LEU A 88  ? 0.365 0.379 0.349 0.029  0.016  0.047  88  LEU AAA CG   
1300 C CD1  . LEU A 88  ? 0.343 0.363 0.336 0.029  0.016  0.048  88  LEU AAA CD1  
1301 C CD2  . LEU A 88  ? 0.376 0.392 0.367 0.025  0.019  0.045  88  LEU AAA CD2  
1302 H H    . LEU A 88  ? 0.386 0.385 0.339 0.036  0.008  0.048  88  LEU AAA H    
1303 H HA   . LEU A 88  ? 0.387 0.384 0.346 0.030  0.017  0.046  88  LEU AAA HA   
1304 H HB2  . LEU A 88  ? 0.382 0.381 0.348 0.033  0.019  0.049  88  LEU AAA HB2  
1305 H HB3  . LEU A 88  ? 0.381 0.377 0.352 0.030  0.026  0.048  88  LEU AAA HB3  
1306 H HG   . LEU A 88  ? 0.365 0.383 0.347 0.029  0.011  0.046  88  LEU AAA HG   
1307 H HD11 . LEU A 88  ? 0.351 0.369 0.339 0.031  0.015  0.048  88  LEU AAA HD11 
1308 H HD12 . LEU A 88  ? 0.339 0.366 0.339 0.027  0.014  0.047  88  LEU AAA HD12 
1309 H HD13 . LEU A 88  ? 0.347 0.363 0.343 0.027  0.020  0.048  88  LEU AAA HD13 
1310 H HD21 . LEU A 88  ? 0.372 0.384 0.365 0.025  0.024  0.046  88  LEU AAA HD21 
1311 H HD22 . LEU A 88  ? 0.361 0.385 0.361 0.024  0.017  0.045  88  LEU AAA HD22 
1312 H HD23 . LEU A 88  ? 0.375 0.389 0.361 0.025  0.018  0.045  88  LEU AAA HD23 
1313 N N    . LYS A 89  ? 0.459 0.429 0.399 0.030  0.032  0.047  89  LYS AAA N    
1314 C CA   . LYS A 89  ? 0.506 0.457 0.431 0.031  0.042  0.048  89  LYS AAA CA   
1315 C C    . LYS A 89  ? 0.509 0.461 0.450 0.029  0.052  0.048  89  LYS AAA C    
1316 O O    . LYS A 89  ? 0.450 0.417 0.411 0.026  0.050  0.048  89  LYS AAA O    
1317 C CB   . LYS A 89  ? 0.531 0.476 0.446 0.029  0.042  0.046  89  LYS AAA CB   
1318 C CG   . LYS A 89  ? 0.555 0.500 0.457 0.031  0.030  0.045  89  LYS AAA CG   
1319 C CD   . LYS A 89  ? 0.637 0.572 0.526 0.029  0.030  0.043  89  LYS AAA CD   
1320 C CE   . LYS A 89  ? 0.706 0.643 0.585 0.031  0.017  0.042  89  LYS AAA CE   
1321 N NZ   . LYS A 89  ? 0.781 0.709 0.648 0.028  0.016  0.040  89  LYS AAA NZ   
1322 H H    . LYS A 89  ? 0.446 0.424 0.396 0.028  0.032  0.046  89  LYS AAA H    
1323 H HA   . LYS A 89  ? 0.516 0.459 0.430 0.033  0.042  0.049  89  LYS AAA HA   
1324 H HB2  . LYS A 89  ? 0.521 0.474 0.448 0.027  0.042  0.045  89  LYS AAA HB2  
1325 H HB3  . LYS A 89  ? 0.546 0.477 0.450 0.030  0.049  0.046  89  LYS AAA HB3  
1326 H HG2  . LYS A 89  ? 0.577 0.514 0.468 0.034  0.029  0.046  89  LYS AAA HG2  
1327 H HG3  . LYS A 89  ? 0.553 0.511 0.467 0.031  0.024  0.044  89  LYS AAA HG3  
1328 H HD2  . LYS A 89  ? 0.623 0.566 0.523 0.027  0.032  0.042  89  LYS AAA HD2  
1329 H HD3  . LYS A 89  ? 0.648 0.569 0.524 0.030  0.037  0.044  89  LYS AAA HD3  
1330 H HE2  . LYS A 89  ? 0.717 0.645 0.583 0.033  0.015  0.043  89  LYS AAA HE2  
1331 H HE3  . LYS A 89  ? 0.689 0.641 0.582 0.030  0.011  0.041  89  LYS AAA HE3  
1332 H HZ1  . LYS A 89  ? 0.749 0.685 0.628 0.026  0.018  0.039  89  LYS AAA HZ1  
1333 H HZ2  . LYS A 89  ? 0.765 0.694 0.627 0.029  0.008  0.039  89  LYS AAA HZ2  
1334 H HZ3  . LYS A 89  ? 0.776 0.689 0.628 0.029  0.022  0.040  89  LYS AAA HZ3  
1335 N N    . PRO A 90  ? 0.549 0.486 0.483 0.029  0.063  0.050  90  PRO AAA N    
1336 C CA   . PRO A 90  ? 0.539 0.478 0.492 0.027  0.072  0.050  90  PRO AAA CA   
1337 C C    . PRO A 90  ? 0.504 0.449 0.471 0.024  0.074  0.049  90  PRO AAA C    
1338 O O    . PRO A 90  ? 0.504 0.459 0.493 0.022  0.075  0.049  90  PRO AAA O    
1339 C CB   . PRO A 90  ? 0.571 0.488 0.509 0.028  0.085  0.051  90  PRO AAA CB   
1340 C CG   . PRO A 90  ? 0.580 0.487 0.493 0.032  0.079  0.052  90  PRO AAA CG   
1341 C CD   . PRO A 90  ? 0.585 0.501 0.493 0.032  0.067  0.051  90  PRO AAA CD   
1342 H HA   . PRO A 90  ? 0.526 0.473 0.490 0.027  0.070  0.051  90  PRO AAA HA   
1343 H HB2  . PRO A 90  ? 0.575 0.484 0.510 0.028  0.091  0.051  90  PRO AAA HB2  
1344 H HB3  . PRO A 90  ? 0.564 0.482 0.513 0.028  0.090  0.052  90  PRO AAA HB3  
1345 H HG2  . PRO A 90  ? 0.602 0.492 0.499 0.033  0.086  0.052  90  PRO AAA HG2  
1346 H HG3  . PRO A 90  ? 0.580 0.490 0.496 0.033  0.077  0.053  90  PRO AAA HG3  
1347 H HD2  . PRO A 90  ? 0.591 0.498 0.487 0.032  0.068  0.050  90  PRO AAA HD2  
1348 H HD3  . PRO A 90  ? 0.582 0.499 0.482 0.034  0.060  0.051  90  PRO AAA HD3  
1349 N N    . GLU A 91  ? 0.487 0.427 0.442 0.024  0.073  0.048  91  GLU AAA N    
1350 C CA   . GLU A 91  ? 0.503 0.450 0.471 0.021  0.074  0.046  91  GLU AAA CA   
1351 C C    . GLU A 91  ? 0.452 0.418 0.435 0.020  0.064  0.046  91  GLU AAA C    
1352 O O    . GLU A 91  ? 0.446 0.418 0.443 0.017  0.065  0.045  91  GLU AAA O    
1353 C CB   . GLU A 91  ? 0.579 0.513 0.525 0.021  0.076  0.045  91  GLU AAA CB   
1354 C CG   . GLU A 91  ? 0.669 0.600 0.595 0.023  0.065  0.044  91  GLU AAA CG   
1355 C CD   . GLU A 91  ? 0.781 0.691 0.680 0.026  0.068  0.045  91  GLU AAA CD   
1356 O OE1  . GLU A 91  ? 0.802 0.707 0.698 0.028  0.072  0.047  91  GLU AAA OE1  
1357 O OE2  . GLU A 91  ? 0.950 0.847 0.828 0.026  0.067  0.044  91  GLU AAA OE2  
1358 H H    . GLU A 91  ? 0.511 0.443 0.449 0.025  0.071  0.047  91  GLU AAA H    
1359 H HA   . GLU A 91  ? 0.503 0.447 0.481 0.020  0.082  0.047  91  GLU AAA HA   
1360 H HB2  . GLU A 91  ? 0.575 0.514 0.529 0.019  0.075  0.044  91  GLU AAA HB2  
1361 H HB3  . GLU A 91  ? 0.596 0.516 0.534 0.021  0.085  0.046  91  GLU AAA HB3  
1362 H HG2  . GLU A 91  ? 0.653 0.596 0.587 0.023  0.058  0.045  91  GLU AAA HG2  
1363 H HG3  . GLU A 91  ? 0.667 0.600 0.590 0.022  0.061  0.043  91  GLU AAA HG3  
1364 N N    . ASP A 92  ? 0.402 0.377 0.385 0.021  0.055  0.046  92  ASP AAA N    
1365 C CA   . ASP A 92  ? 0.361 0.353 0.359 0.019  0.046  0.045  92  ASP AAA CA   
1366 C C    . ASP A 92  ? 0.343 0.342 0.361 0.018  0.048  0.046  92  ASP AAA C    
1367 O O    . ASP A 92  ? 0.350 0.360 0.379 0.017  0.042  0.046  92  ASP AAA O    
1368 C CB   . ASP A 92  ? 0.361 0.359 0.351 0.021  0.037  0.045  92  ASP AAA CB   
1369 C CG   . ASP A 92  ? 0.384 0.377 0.358 0.022  0.033  0.043  92  ASP AAA CG   
1370 O OD1  . ASP A 92  ? 0.397 0.390 0.370 0.020  0.033  0.042  92  ASP AAA OD1  
1371 O OD2  . ASP A 92  ? 0.393 0.383 0.355 0.024  0.028  0.044  92  ASP AAA OD2  
1372 H H    . ASP A 92  ? 0.412 0.383 0.386 0.022  0.053  0.046  92  ASP AAA H    
1373 H HA   . ASP A 92  ? 0.362 0.357 0.363 0.018  0.045  0.044  92  ASP AAA HA   
1374 H HB2  . ASP A 92  ? 0.367 0.362 0.354 0.022  0.038  0.046  92  ASP AAA HB2  
1375 H HB3  . ASP A 92  ? 0.353 0.360 0.352 0.020  0.033  0.044  92  ASP AAA HB3  
1376 N N    . THR A 93  ? 0.330 0.321 0.351 0.018  0.056  0.048  93  THR AAA N    
1377 C CA   . THR A 93  ? 0.319 0.315 0.360 0.017  0.057  0.048  93  THR AAA CA   
1378 C C    . THR A 93  ? 0.324 0.327 0.382 0.014  0.056  0.048  93  THR AAA C    
1379 O O    . THR A 93  ? 0.304 0.302 0.363 0.014  0.063  0.048  93  THR AAA O    
1380 C CB   . THR A 93  ? 0.322 0.307 0.364 0.017  0.068  0.050  93  THR AAA CB   
1381 O OG1  . THR A 93  ? 0.321 0.300 0.346 0.020  0.067  0.050  93  THR AAA OG1  
1382 C CG2  . THR A 93  ? 0.307 0.298 0.372 0.015  0.068  0.050  93  THR AAA CG2  
1383 H H    . THR A 93  ? 0.345 0.326 0.356 0.019  0.061  0.048  93  THR AAA H    
1384 H HA   . THR A 93  ? 0.315 0.317 0.357 0.017  0.052  0.048  93  THR AAA HA   
1385 H HB   . THR A 93  ? 0.329 0.306 0.368 0.017  0.075  0.049  93  THR AAA HB   
1387 H HG21 . THR A 93  ? 0.307 0.300 0.384 0.014  0.070  0.050  93  THR AAA HG21 
1388 H HG22 . THR A 93  ? 0.316 0.300 0.381 0.015  0.074  0.051  93  THR AAA HG22 
1389 H HG23 . THR A 93  ? 0.302 0.300 0.370 0.015  0.061  0.050  93  THR AAA HG23 
1390 N N    . ALA A 94  ? 0.313 0.326 0.382 0.013  0.048  0.048  94  ALA AAA N    
1391 C CA   . ALA A 94  ? 0.290 0.310 0.375 0.011  0.045  0.048  94  ALA AAA CA   
1392 C C    . ALA A 94  ? 0.269 0.296 0.361 0.010  0.035  0.048  94  ALA AAA C    
1393 O O    . ALA A 94  ? 0.255 0.284 0.337 0.011  0.031  0.048  94  ALA AAA O    
1394 C CB   . ALA A 94  ? 0.292 0.313 0.368 0.011  0.044  0.047  94  ALA AAA CB   
1395 H H    . ALA A 94  ? 0.306 0.322 0.374 0.013  0.044  0.048  94  ALA AAA H    
1396 H HA   . ALA A 94  ? 0.292 0.310 0.388 0.011  0.050  0.048  94  ALA AAA HA   
1397 H HB1  . ALA A 94  ? 0.286 0.311 0.370 0.010  0.040  0.047  94  ALA AAA HB1  
1398 H HB2  . ALA A 94  ? 0.298 0.313 0.371 0.012  0.050  0.047  94  ALA AAA HB2  
1399 H HB3  . ALA A 94  ? 0.293 0.314 0.356 0.012  0.041  0.046  94  ALA AAA HB3  
1400 N N    . VAL A 95  ? 0.266 0.299 0.374 0.008  0.031  0.048  95  VAL AAA N    
1401 C CA   . VAL A 95  ? 0.249 0.287 0.359 0.007  0.021  0.048  95  VAL AAA CA   
1402 C C    . VAL A 95  ? 0.258 0.298 0.357 0.007  0.018  0.047  95  VAL AAA C    
1403 O O    . VAL A 95  ? 0.257 0.296 0.357 0.008  0.021  0.047  95  VAL AAA O    
1404 C CB   . VAL A 95  ? 0.251 0.291 0.381 0.006  0.017  0.049  95  VAL AAA CB   
1405 C CG1  . VAL A 95  ? 0.255 0.295 0.381 0.004  0.005  0.049  95  VAL AAA CG1  
1406 C CG2  . VAL A 95  ? 0.258 0.295 0.402 0.005  0.020  0.050  95  VAL AAA CG2  
1407 H H    . VAL A 95  ? 0.264 0.295 0.381 0.008  0.035  0.049  95  VAL AAA H    
1408 H HA   . VAL A 95  ? 0.255 0.291 0.359 0.007  0.018  0.048  95  VAL AAA HA   
1409 H HB   . VAL A 95  ? 0.252 0.292 0.387 0.006  0.019  0.049  95  VAL AAA HB   
1410 H HG11 . VAL A 95  ? 0.252 0.294 0.372 0.005  0.004  0.048  95  VAL AAA HG11 
1411 H HG12 . VAL A 95  ? 0.253 0.294 0.392 0.003  0.002  0.050  95  VAL AAA HG12 
1412 H HG13 . VAL A 95  ? 0.254 0.294 0.373 0.004  0.004  0.049  95  VAL AAA HG13 
1413 H HG21 . VAL A 95  ? 0.258 0.294 0.395 0.005  0.019  0.050  95  VAL AAA HG21 
1414 H HG22 . VAL A 95  ? 0.255 0.295 0.413 0.004  0.016  0.050  95  VAL AAA HG22 
1415 H HG23 . VAL A 95  ? 0.259 0.294 0.405 0.006  0.028  0.050  95  VAL AAA HG23 
1416 N N    . TYR A 96  ? 0.242 0.283 0.329 0.008  0.013  0.046  96  TYR AAA N    
1417 C CA   . TYR A 96  ? 0.244 0.287 0.321 0.008  0.010  0.045  96  TYR AAA CA   
1418 C C    . TYR A 96  ? 0.231 0.274 0.311 0.006  0.003  0.045  96  TYR AAA C    
1419 O O    . TYR A 96  ? 0.234 0.275 0.314 0.006  -0.001 0.046  96  TYR AAA O    
1420 C CB   . TYR A 96  ? 0.242 0.285 0.306 0.009  0.010  0.044  96  TYR AAA CB   
1421 C CG   . TYR A 96  ? 0.255 0.296 0.313 0.011  0.016  0.044  96  TYR AAA CG   
1422 C CD1  . TYR A 96  ? 0.280 0.316 0.339 0.011  0.021  0.045  96  TYR AAA CD1  
1423 C CD2  . TYR A 96  ? 0.257 0.298 0.306 0.011  0.016  0.043  96  TYR AAA CD2  
1424 C CE1  . TYR A 96  ? 0.295 0.327 0.345 0.013  0.026  0.045  96  TYR AAA CE1  
1425 C CE2  . TYR A 96  ? 0.257 0.294 0.298 0.012  0.020  0.042  96  TYR AAA CE2  
1426 C CZ   . TYR A 96  ? 0.281 0.312 0.320 0.013  0.025  0.044  96  TYR AAA CZ   
1427 O OH   . TYR A 96  ? 0.290 0.314 0.317 0.015  0.028  0.043  96  TYR AAA OH   
1428 H H    . TYR A 96  ? 0.247 0.287 0.332 0.007  0.010  0.047  96  TYR AAA H    
1429 H HA   . TYR A 96  ? 0.241 0.284 0.318 0.008  0.013  0.045  96  TYR AAA HA   
1430 H HB2  . TYR A 96  ? 0.245 0.287 0.309 0.009  0.009  0.045  96  TYR AAA HB2  
1431 H HB3  . TYR A 96  ? 0.243 0.288 0.303 0.009  0.008  0.044  96  TYR AAA HB3  
1432 H HD1  . TYR A 96  ? 0.275 0.311 0.340 0.011  0.020  0.046  96  TYR AAA HD1  
1433 H HD2  . TYR A 96  ? 0.254 0.298 0.303 0.010  0.014  0.042  96  TYR AAA HD2  
1434 H HE1  . TYR A 96  ? 0.292 0.319 0.341 0.014  0.030  0.046  96  TYR AAA HE1  
1435 H HE2  . TYR A 96  ? 0.265 0.303 0.301 0.012  0.019  0.041  96  TYR AAA HE2  
1437 N N    . TYR A 97  ? 0.232 0.276 0.311 0.006  0.003  0.045  97  TYR AAA N    
1438 C CA   . TYR A 97  ? 0.242 0.284 0.321 0.005  -0.003 0.045  97  TYR AAA CA   
1439 C C    . TYR A 97  ? 0.240 0.282 0.308 0.004  -0.002 0.043  97  TYR AAA C    
1440 O O    . TYR A 97  ? 0.253 0.298 0.319 0.005  0.002  0.042  97  TYR AAA O    
1441 C CB   . TYR A 97  ? 0.260 0.302 0.352 0.005  -0.003 0.046  97  TYR AAA CB   
1442 C CG   . TYR A 97  ? 0.246 0.288 0.354 0.005  -0.004 0.047  97  TYR AAA CG   
1443 C CD1  . TYR A 97  ? 0.261 0.301 0.376 0.004  -0.012 0.049  97  TYR AAA CD1  
1444 C CD2  . TYR A 97  ? 0.269 0.312 0.384 0.005  0.004  0.048  97  TYR AAA CD2  
1445 C CE1  . TYR A 97  ? 0.272 0.314 0.406 0.003  -0.012 0.050  97  TYR AAA CE1  
1446 C CE2  . TYR A 97  ? 0.279 0.322 0.411 0.005  0.006  0.049  97  TYR AAA CE2  
1447 C CZ   . TYR A 97  ? 0.301 0.344 0.443 0.004  -0.003 0.050  97  TYR AAA CZ   
1448 O OH   . TYR A 97  ? 0.303 0.348 0.465 0.004  -0.001 0.051  97  TYR AAA OH   
1449 H H    . TYR A 97  ? 0.234 0.278 0.311 0.006  0.006  0.044  97  TYR AAA H    
1450 H HA   . TYR A 97  ? 0.245 0.285 0.323 0.004  -0.007 0.045  97  TYR AAA HA   
1451 H HB2  . TYR A 97  ? 0.251 0.295 0.344 0.005  0.001  0.045  97  TYR AAA HB2  
1452 H HB3  . TYR A 97  ? 0.254 0.294 0.345 0.004  -0.008 0.046  97  TYR AAA HB3  
1453 H HD1  . TYR A 97  ? 0.265 0.302 0.373 0.003  -0.017 0.049  97  TYR AAA HD1  
1454 H HD2  . TYR A 97  ? 0.266 0.310 0.375 0.006  0.009  0.047  97  TYR AAA HD2  
1455 H HE1  . TYR A 97  ? 0.278 0.318 0.417 0.003  -0.018 0.050  97  TYR AAA HE1  
1456 H HE2  . TYR A 97  ? 0.281 0.324 0.417 0.006  0.012  0.049  97  TYR AAA HE2  
1458 N N    A CYS A 98  ? 0.241 0.279 0.301 0.004  -0.006 0.043  98  CYS AAA N    
1459 N N    B CYS A 98  ? 0.237 0.275 0.298 0.004  -0.007 0.043  98  CYS AAA N    
1460 C CA   A CYS A 98  ? 0.245 0.283 0.298 0.003  -0.005 0.041  98  CYS AAA CA   
1461 C CA   B CYS A 98  ? 0.238 0.275 0.291 0.003  -0.006 0.042  98  CYS AAA CA   
1462 C C    A CYS A 98  ? 0.240 0.272 0.293 0.002  -0.009 0.042  98  CYS AAA C    
1463 C C    B CYS A 98  ? 0.234 0.266 0.288 0.002  -0.009 0.042  98  CYS AAA C    
1464 O O    A CYS A 98  ? 0.223 0.251 0.279 0.002  -0.014 0.044  98  CYS AAA O    
1465 O O    B CYS A 98  ? 0.215 0.243 0.273 0.002  -0.014 0.044  98  CYS AAA O    
1466 C CB   A CYS A 98  ? 0.270 0.304 0.311 0.003  -0.005 0.041  98  CYS AAA CB   
1467 C CB   B CYS A 98  ? 0.255 0.287 0.298 0.003  -0.008 0.041  98  CYS AAA CB   
1468 S SG   A CYS A 98  ? 0.317 0.341 0.352 0.002  -0.012 0.042  98  CYS AAA SG   
1469 S SG   B CYS A 98  ? 0.284 0.314 0.317 0.002  -0.004 0.039  98  CYS AAA SG   
1470 H H    A CYS A 98  ? 0.245 0.280 0.304 0.003  -0.010 0.044  98  CYS AAA H    
1471 H H    B CYS A 98  ? 0.241 0.276 0.302 0.003  -0.010 0.044  98  CYS AAA H    
1472 H HA   A CYS A 98  ? 0.244 0.285 0.297 0.003  -0.002 0.041  98  CYS AAA HA   
1473 H HA   B CYS A 98  ? 0.236 0.277 0.288 0.003  -0.003 0.041  98  CYS AAA HA   
1474 H HB2  A CYS A 98  ? 0.274 0.308 0.312 0.002  -0.004 0.039  98  CYS AAA HB2  
1475 H HB2  B CYS A 98  ? 0.257 0.290 0.299 0.003  -0.007 0.041  98  CYS AAA HB2  
1476 H HB3  A CYS A 98  ? 0.271 0.308 0.312 0.004  -0.004 0.040  98  CYS AAA HB3  
1477 H HB3  B CYS A 98  ? 0.263 0.289 0.304 0.002  -0.012 0.042  98  CYS AAA HB3  
1478 N N    . ASN A 99  ? 0.224 0.258 0.276 0.002  -0.006 0.041  99  ASN AAA N    
1479 C CA   . ASN A 99  ? 0.229 0.257 0.281 0.002  -0.008 0.042  99  ASN AAA CA   
1480 C C    . ASN A 99  ? 0.220 0.248 0.265 0.001  -0.003 0.040  99  ASN AAA C    
1481 O O    . ASN A 99  ? 0.198 0.232 0.242 0.000  0.001  0.038  99  ASN AAA O    
1482 C CB   . ASN A 99  ? 0.222 0.252 0.288 0.003  -0.008 0.044  99  ASN AAA CB   
1483 C CG   . ASN A 99  ? 0.241 0.265 0.310 0.003  -0.015 0.045  99  ASN AAA CG   
1484 O OD1  . ASN A 99  ? 0.255 0.271 0.313 0.002  -0.017 0.045  99  ASN AAA OD1  
1485 N ND2  . ASN A 99  ? 0.273 0.298 0.356 0.004  -0.019 0.047  99  ASN AAA ND2  
1486 H H    . ASN A 99  ? 0.227 0.263 0.277 0.002  -0.002 0.040  99  ASN AAA H    
1487 H HA   . ASN A 99  ? 0.232 0.254 0.279 0.002  -0.012 0.043  99  ASN AAA HA   
1488 H HB2  . ASN A 99  ? 0.223 0.257 0.295 0.003  -0.008 0.044  99  ASN AAA HB2  
1489 H HB3  . ASN A 99  ? 0.224 0.257 0.291 0.003  -0.004 0.043  99  ASN AAA HB3  
1490 H HD21 . ASN A 99  ? 0.267 0.288 0.352 0.004  -0.023 0.049  99  ASN AAA HD21 
1491 H HD22 . ASN A 99  ? 0.259 0.288 0.348 0.004  -0.017 0.048  99  ASN AAA HD22 
1492 N N    . PHE A 100 ? 0.226 0.248 0.269 0.000  -0.004 0.040  100 PHE AAA N    
1493 C CA   . PHE A 100 ? 0.240 0.262 0.278 -0.001 0.001  0.038  100 PHE AAA CA   
1494 C C    . PHE A 100 ? 0.220 0.250 0.266 -0.001 0.006  0.037  100 PHE AAA C    
1495 O O    . PHE A 100 ? 0.226 0.258 0.280 0.000  0.005  0.038  100 PHE AAA O    
1496 C CB   . PHE A 100 ? 0.254 0.266 0.288 -0.001 -0.001 0.039  100 PHE AAA CB   
1497 C CG   . PHE A 100 ? 0.294 0.296 0.318 -0.000 -0.006 0.040  100 PHE AAA CG   
1498 C CD1  . PHE A 100 ? 0.333 0.329 0.345 -0.002 -0.003 0.039  100 PHE AAA CD1  
1499 C CD2  . PHE A 100 ? 0.340 0.336 0.366 0.001  -0.014 0.043  100 PHE AAA CD2  
1500 C CE1  . PHE A 100 ? 0.368 0.351 0.366 -0.002 -0.006 0.040  100 PHE AAA CE1  
1501 C CE2  . PHE A 100 ? 0.380 0.363 0.392 0.001  -0.019 0.044  100 PHE AAA CE2  
1502 C CZ   . PHE A 100 ? 0.376 0.351 0.373 -0.001 -0.015 0.042  100 PHE AAA CZ   
1503 H H    . PHE A 100 ? 0.233 0.251 0.277 0.001  -0.008 0.042  100 PHE AAA H    
1504 H HA   . PHE A 100 ? 0.237 0.258 0.269 -0.001 0.003  0.037  100 PHE AAA HA   
1505 H HB2  . PHE A 100 ? 0.258 0.272 0.300 0.000  -0.003 0.041  100 PHE AAA HB2  
1506 H HB3  . PHE A 100 ? 0.260 0.272 0.292 -0.001 0.003  0.038  100 PHE AAA HB3  
1507 H HD1  . PHE A 100 ? 0.327 0.327 0.339 -0.003 0.002  0.037  100 PHE AAA HD1  
1508 H HD2  . PHE A 100 ? 0.332 0.332 0.368 0.002  -0.016 0.044  100 PHE AAA HD2  
1509 H HE1  . PHE A 100 ? 0.366 0.344 0.356 -0.003 -0.002 0.038  100 PHE AAA HE1  
1510 H HE2  . PHE A 100 ? 0.373 0.351 0.386 0.001  -0.026 0.046  100 PHE AAA HE2  
1511 H HZ   . PHE A 100 ? 0.386 0.351 0.372 -0.001 -0.018 0.043  100 PHE AAA HZ   
1512 N N    . ALA A 101 ? 0.208 0.239 0.249 -0.002 0.010  0.034  101 ALA AAA N    
1513 C CA   . ALA A 101 ? 0.205 0.242 0.250 -0.003 0.014  0.033  101 ALA AAA CA   
1514 C C    . ALA A 101 ? 0.218 0.251 0.258 -0.005 0.018  0.030  101 ALA AAA C    
1515 O O    . ALA A 101 ? 0.212 0.250 0.251 -0.007 0.020  0.028  101 ALA AAA O    
1516 C CB   . ALA A 101 ? 0.199 0.241 0.243 -0.003 0.014  0.031  101 ALA AAA CB   
1517 H H    . ALA A 101 ? 0.213 0.243 0.250 -0.003 0.011  0.033  101 ALA AAA H    
1518 H HA   . ALA A 101 ? 0.206 0.242 0.256 -0.002 0.014  0.034  101 ALA AAA HA   
1519 H HB1  . ALA A 101 ? 0.200 0.243 0.244 -0.003 0.016  0.030  101 ALA AAA HB1  
1520 H HB2  . ALA A 101 ? 0.198 0.241 0.245 -0.002 0.012  0.033  101 ALA AAA HB2  
1521 H HB3  . ALA A 101 ? 0.200 0.243 0.241 -0.003 0.014  0.030  101 ALA AAA HB3  
1522 N N    . PRO A 102 ? 0.228 0.255 0.268 -0.005 0.018  0.031  102 PRO AAA N    
1523 C CA   . PRO A 102 ? 0.224 0.248 0.260 -0.007 0.022  0.029  102 PRO AAA CA   
1524 C C    . PRO A 102 ? 0.221 0.249 0.258 -0.009 0.026  0.027  102 PRO AAA C    
1525 O O    . PRO A 102 ? 0.212 0.241 0.252 -0.007 0.027  0.028  102 PRO AAA O    
1526 C CB   . PRO A 102 ? 0.232 0.249 0.269 -0.005 0.022  0.032  102 PRO AAA CB   
1527 C CG   . PRO A 102 ? 0.232 0.249 0.275 -0.003 0.017  0.035  102 PRO AAA CG   
1528 C CD   . PRO A 102 ? 0.222 0.245 0.267 -0.003 0.015  0.035  102 PRO AAA CD   
1529 H HA   . PRO A 102 ? 0.228 0.250 0.260 -0.008 0.022  0.028  102 PRO AAA HA   
1530 H HB2  . PRO A 102 ? 0.232 0.249 0.271 -0.006 0.025  0.031  102 PRO AAA HB2  
1531 H HB3  . PRO A 102 ? 0.237 0.248 0.269 -0.006 0.022  0.032  102 PRO AAA HB3  
1532 H HG2  . PRO A 102 ? 0.230 0.247 0.280 -0.002 0.017  0.036  102 PRO AAA HG2  
1533 H HG3  . PRO A 102 ? 0.235 0.247 0.275 -0.002 0.013  0.036  102 PRO AAA HG3  
1534 H HD2  . PRO A 102 ? 0.222 0.248 0.273 -0.002 0.015  0.036  102 PRO AAA HD2  
1535 H HD3  . PRO A 102 ? 0.226 0.247 0.269 -0.002 0.011  0.036  102 PRO AAA HD3  
1536 N N    . GLY A 103 ? 0.226 0.256 0.261 -0.011 0.028  0.023  103 GLY AAA N    
1537 C CA   . GLY A 103 ? 0.229 0.261 0.262 -0.013 0.031  0.020  103 GLY AAA CA   
1538 C C    . GLY A 103 ? 0.216 0.253 0.250 -0.013 0.028  0.020  103 GLY AAA C    
1539 O O    . GLY A 103 ? 0.241 0.278 0.273 -0.014 0.029  0.018  103 GLY AAA O    
1540 H H    . GLY A 103 ? 0.227 0.255 0.259 -0.012 0.029  0.023  103 GLY AAA H    
1541 H HA2  . GLY A 103 ? 0.228 0.260 0.261 -0.015 0.032  0.018  103 GLY AAA HA2  
1542 H HA3  . GLY A 103 ? 0.229 0.257 0.262 -0.013 0.033  0.021  103 GLY AAA HA3  
1543 N N    . LEU A 104 ? 0.215 0.256 0.252 -0.011 0.025  0.021  104 LEU AAA N    
1544 C CA   . LEU A 104 ? 0.218 0.263 0.255 -0.010 0.022  0.022  104 LEU AAA CA   
1545 C C    . LEU A 104 ? 0.253 0.295 0.289 -0.008 0.024  0.023  104 LEU AAA C    
1546 O O    . LEU A 104 ? 0.261 0.304 0.293 -0.008 0.023  0.023  104 LEU AAA O    
1547 C CB   . LEU A 104 ? 0.214 0.264 0.250 -0.011 0.020  0.018  104 LEU AAA CB   
1548 C CG   . LEU A 104 ? 0.227 0.281 0.267 -0.013 0.019  0.016  104 LEU AAA CG   
1549 C CD1  . LEU A 104 ? 0.232 0.291 0.275 -0.015 0.017  0.013  104 LEU AAA CD1  
1550 C CD2  . LEU A 104 ? 0.221 0.277 0.264 -0.011 0.018  0.019  104 LEU AAA CD2  
1551 H H    . LEU A 104 ? 0.215 0.255 0.252 -0.011 0.024  0.022  104 LEU AAA H    
1552 H HA   . LEU A 104 ? 0.219 0.266 0.257 -0.008 0.020  0.023  104 LEU AAA HA   
1553 H HB2  . LEU A 104 ? 0.222 0.270 0.256 -0.013 0.021  0.017  104 LEU AAA HB2  
1554 H HB3  . LEU A 104 ? 0.218 0.270 0.253 -0.010 0.018  0.019  104 LEU AAA HB3  
1555 H HG   . LEU A 104 ? 0.226 0.277 0.266 -0.014 0.022  0.016  104 LEU AAA HG   
1556 H HD11 . LEU A 104 ? 0.235 0.292 0.275 -0.016 0.018  0.011  104 LEU AAA HD11 
1557 H HD12 . LEU A 104 ? 0.230 0.292 0.277 -0.015 0.017  0.012  104 LEU AAA HD12 
1558 H HD13 . LEU A 104 ? 0.231 0.292 0.272 -0.013 0.014  0.014  104 LEU AAA HD13 
1559 H HD21 . LEU A 104 ? 0.220 0.278 0.262 -0.009 0.016  0.020  104 LEU AAA HD21 
1560 H HD22 . LEU A 104 ? 0.222 0.280 0.267 -0.011 0.019  0.017  104 LEU AAA HD22 
1561 H HD23 . LEU A 104 ? 0.222 0.274 0.263 -0.010 0.019  0.020  104 LEU AAA HD23 
1562 N N    . GLN A 105 ? 0.244 0.283 0.284 -0.007 0.026  0.026  105 GLN AAA N    
1563 C CA   . GLN A 105 ? 0.259 0.294 0.301 -0.006 0.029  0.028  105 GLN AAA CA   
1564 C C    . GLN A 105 ? 0.249 0.284 0.299 -0.003 0.027  0.031  105 GLN AAA C    
1565 O O    . GLN A 105 ? 0.232 0.268 0.283 -0.003 0.022  0.032  105 GLN AAA O    
1566 C CB   . GLN A 105 ? 0.299 0.328 0.339 -0.007 0.034  0.027  105 GLN AAA CB   
1567 C CG   . GLN A 105 ? 0.354 0.381 0.384 -0.010 0.035  0.023  105 GLN AAA CG   
1568 C CD   . GLN A 105 ? 0.463 0.488 0.487 -0.009 0.035  0.023  105 GLN AAA CD   
1569 O OE1  . GLN A 105 ? 0.521 0.545 0.547 -0.007 0.037  0.025  105 GLN AAA OE1  
1570 N NE2  . GLN A 105 ? 0.498 0.522 0.514 -0.012 0.034  0.019  105 GLN AAA NE2  
1571 H H    . GLN A 105 ? 0.249 0.286 0.289 -0.007 0.025  0.026  105 GLN AAA H    
1572 H HA   . GLN A 105 ? 0.263 0.298 0.303 -0.005 0.029  0.028  105 GLN AAA HA   
1573 H HB2  . GLN A 105 ? 0.301 0.329 0.342 -0.007 0.034  0.027  105 GLN AAA HB2  
1574 H HB3  . GLN A 105 ? 0.303 0.329 0.345 -0.006 0.037  0.028  105 GLN AAA HB3  
1575 H HG2  . GLN A 105 ? 0.360 0.391 0.390 -0.011 0.033  0.022  105 GLN AAA HG2  
1576 H HG3  . GLN A 105 ? 0.367 0.390 0.396 -0.011 0.039  0.022  105 GLN AAA HG3  
1577 H HE21 . GLN A 105 ? 0.494 0.515 0.503 -0.011 0.033  0.019  105 GLN AAA HE21 
1578 H HE22 . GLN A 105 ? 0.488 0.514 0.504 -0.013 0.033  0.017  105 GLN AAA HE22 
1579 N N    . SER A 106 ? 0.270 0.302 0.326 -0.002 0.029  0.033  106 SER AAA N    
1580 C CA   . SER A 106 ? 0.296 0.329 0.363 0.000  0.027  0.037  106 SER AAA CA   
1581 C C    . SER A 106 ? 0.301 0.332 0.373 0.001  0.024  0.038  106 SER AAA C    
1582 O O    . SER A 106 ? 0.286 0.313 0.357 0.000  0.027  0.038  106 SER AAA O    
1583 C CB   . SER A 106 ? 0.328 0.359 0.401 0.001  0.032  0.038  106 SER AAA CB   
1584 O OG   . SER A 106 ? 0.346 0.379 0.432 0.003  0.029  0.040  106 SER AAA OG   
1585 H H    . SER A 106 ? 0.276 0.305 0.331 -0.002 0.033  0.033  106 SER AAA H    
1586 H HA   . SER A 106 ? 0.293 0.329 0.359 0.000  0.023  0.037  106 SER AAA HA   
1587 H HB2  . SER A 106 ? 0.327 0.358 0.395 0.001  0.034  0.037  106 SER AAA HB2  
1588 H HB3  . SER A 106 ? 0.328 0.356 0.404 0.001  0.036  0.038  106 SER AAA HB3  
1590 N N    . VAL A 107 ? 0.292 0.324 0.366 0.001  0.017  0.040  107 VAL AAA N    
1591 C CA   . VAL A 107 ? 0.350 0.378 0.429 0.003  0.012  0.042  107 VAL AAA CA   
1592 C C    . VAL A 107 ? 0.400 0.428 0.495 0.004  0.013  0.045  107 VAL AAA C    
1593 O O    . VAL A 107 ? 0.375 0.406 0.479 0.005  0.016  0.045  107 VAL AAA O    
1594 C CB   . VAL A 107 ? 0.360 0.387 0.436 0.003  0.004  0.043  107 VAL AAA CB   
1595 C CG1  . VAL A 107 ? 0.354 0.384 0.440 0.004  0.002  0.045  107 VAL AAA CG1  
1596 C CG2  . VAL A 107 ? 0.400 0.419 0.473 0.003  -0.001 0.045  107 VAL AAA CG2  
1597 H H    . VAL A 107 ? 0.305 0.338 0.377 0.001  0.015  0.040  107 VAL AAA H    
1598 H HA   . VAL A 107 ? 0.353 0.377 0.426 0.002  0.013  0.041  107 VAL AAA HA   
1599 H HB   . VAL A 107 ? 0.363 0.390 0.430 0.002  0.005  0.041  107 VAL AAA HB   
1600 H HG11 . VAL A 107 ? 0.352 0.385 0.440 0.004  0.006  0.044  107 VAL AAA HG11 
1601 H HG12 . VAL A 107 ? 0.355 0.385 0.436 0.004  -0.002 0.045  107 VAL AAA HG12 
1602 H HG13 . VAL A 107 ? 0.356 0.385 0.451 0.005  -0.001 0.047  107 VAL AAA HG13 
1603 H HG21 . VAL A 107 ? 0.391 0.409 0.473 0.005  -0.003 0.046  107 VAL AAA HG21 
1604 H HG22 . VAL A 107 ? 0.392 0.409 0.459 0.003  -0.006 0.045  107 VAL AAA HG22 
1605 H HG23 . VAL A 107 ? 0.393 0.409 0.458 0.003  0.001  0.043  107 VAL AAA HG23 
1606 N N    . ARG A 108 ? 0.495 0.519 0.596 0.006  0.010  0.047  108 ARG AAA N    
1607 C CA   . ARG A 108 ? 0.575 0.598 0.695 0.008  0.008  0.050  108 ARG AAA CA   
1608 C C    . ARG A 108 ? 0.533 0.554 0.655 0.009  -0.004 0.052  108 ARG AAA C    
1609 O O    . ARG A 108 ? 0.512 0.526 0.625 0.009  -0.008 0.052  108 ARG AAA O    
1610 C CB   . ARG A 108 ? 0.723 0.744 0.849 0.009  0.014  0.050  108 ARG AAA CB   
1611 C CG   . ARG A 108 ? 0.906 0.927 1.054 0.012  0.011  0.054  108 ARG AAA CG   
1612 C CD   . ARG A 108 ? 1.107 1.132 1.271 0.012  0.016  0.054  108 ARG AAA CD   
1613 N NE   . ARG A 108 ? 1.249 1.275 1.439 0.014  0.015  0.058  108 ARG AAA NE   
1614 C CZ   . ARG A 108 ? 1.273 1.304 1.483 0.015  0.019  0.059  108 ARG AAA CZ   
1615 N NH1  . ARG A 108 ? 1.290 1.323 1.494 0.014  0.023  0.057  108 ARG AAA NH1  
1616 N NH2  . ARG A 108 ? 1.294 1.326 1.529 0.017  0.018  0.061  108 ARG AAA NH2  
1617 H H    . ARG A 108 ? 0.493 0.512 0.586 0.005  0.009  0.046  108 ARG AAA H    
1618 H HA   . ARG A 108 ? 0.572 0.599 0.699 0.008  0.011  0.050  108 ARG AAA HA   
1619 H HB2  . ARG A 108 ? 0.722 0.743 0.845 0.008  0.021  0.049  108 ARG AAA HB2  
1620 H HB3  . ARG A 108 ? 0.726 0.743 0.842 0.009  0.012  0.050  108 ARG AAA HB3  
1621 H HG2  . ARG A 108 ? 0.904 0.922 1.054 0.012  0.016  0.054  108 ARG AAA HG2  
1622 H HG3  . ARG A 108 ? 0.903 0.922 1.053 0.012  0.003  0.055  108 ARG AAA HG3  
1623 H HD2  . ARG A 108 ? 1.080 1.108 1.243 0.011  0.011  0.054  108 ARG AAA HD2  
1624 H HD3  . ARG A 108 ? 1.084 1.109 1.243 0.011  0.024  0.053  108 ARG AAA HD3  
1625 H HE   . ARG A 108 ? 1.227 1.251 1.420 0.016  0.013  0.059  108 ARG AAA HE   
1626 H HH11 . ARG A 108 ? 1.278 1.311 1.467 0.012  0.023  0.055  108 ARG AAA HH11 
1627 H HH12 . ARG A 108 ? 1.279 1.313 1.495 0.014  0.026  0.058  108 ARG AAA HH12 
1628 H HH21 . ARG A 108 ? 1.287 1.317 1.525 0.019  0.015  0.063  108 ARG AAA HH21 
1629 H HH22 . ARG A 108 ? 1.282 1.317 1.532 0.018  0.021  0.062  108 ARG AAA HH22 
1630 N N    . SER A 109 ? 0.561 0.586 0.691 0.009  -0.009 0.053  109 SER AAA N    
1631 C CA   . SER A 109 ? 0.575 0.595 0.704 0.009  -0.021 0.054  109 SER AAA CA   
1632 C C    . SER A 109 ? 0.641 0.666 0.790 0.010  -0.026 0.056  109 SER AAA C    
1633 O O    . SER A 109 ? 0.607 0.638 0.765 0.009  -0.019 0.055  109 SER AAA O    
1634 C CB   . SER A 109 ? 0.590 0.607 0.699 0.007  -0.024 0.052  109 SER AAA CB   
1635 O OG   . SER A 109 ? 0.570 0.583 0.680 0.007  -0.034 0.054  109 SER AAA OG   
1636 H H    . SER A 109 ? 0.552 0.580 0.687 0.009  -0.005 0.052  109 SER AAA H    
1637 H HA   . SER A 109 ? 0.594 0.609 0.722 0.010  -0.025 0.055  109 SER AAA HA   
1638 H HB2  . SER A 109 ? 0.586 0.598 0.682 0.007  -0.024 0.052  109 SER AAA HB2  
1639 H HB3  . SER A 109 ? 0.576 0.597 0.683 0.007  -0.018 0.051  109 SER AAA HB3  
1641 N N    . GLY A 110 ? 0.695 0.715 0.850 0.011  -0.038 0.058  110 GLY AAA N    
1642 C CA   . GLY A 110 ? 0.707 0.730 0.880 0.011  -0.045 0.060  110 GLY AAA CA   
1643 C C    . GLY A 110 ? 0.711 0.730 0.871 0.009  -0.054 0.059  110 GLY AAA C    
1644 O O    . GLY A 110 ? 0.725 0.745 0.899 0.008  -0.061 0.060  110 GLY AAA O    
1645 H H    . GLY A 110 ? 0.692 0.706 0.839 0.011  -0.043 0.059  110 GLY AAA H    
1646 H HA2  . GLY A 110 ? 0.697 0.726 0.883 0.011  -0.039 0.059  110 GLY AAA HA2  
1647 H HA3  . GLY A 110 ? 0.708 0.729 0.893 0.012  -0.052 0.062  110 GLY AAA HA3  
1648 N N    . SER A 111 ? 0.626 0.639 0.759 0.008  -0.051 0.057  111 SER AAA N    
1649 C CA   . SER A 111 ? 0.527 0.533 0.641 0.006  -0.056 0.056  111 SER AAA CA   
1650 C C    . SER A 111 ? 0.457 0.470 0.565 0.005  -0.047 0.054  111 SER AAA C    
1651 O O    . SER A 111 ? 0.426 0.439 0.520 0.004  -0.039 0.052  111 SER AAA O    
1652 C CB   . SER A 111 ? 0.535 0.529 0.625 0.006  -0.060 0.056  111 SER AAA CB   
1653 O OG   . SER A 111 ? 0.666 0.653 0.760 0.008  -0.067 0.058  111 SER AAA OG   
1654 H H    . SER A 111 ? 0.618 0.631 0.743 0.008  -0.046 0.056  111 SER AAA H    
1655 H HA   . SER A 111 ? 0.535 0.540 0.656 0.006  -0.064 0.057  111 SER AAA HA   
1656 H HB2  . SER A 111 ? 0.559 0.554 0.640 0.006  -0.052 0.054  111 SER AAA HB2  
1657 H HB3  . SER A 111 ? 0.569 0.556 0.649 0.005  -0.065 0.055  111 SER AAA HB3  
1659 N N    . TRP A 112 ? 0.389 0.406 0.506 0.004  -0.048 0.054  112 TRP AAA N    
1660 C CA   . TRP A 112 ? 0.357 0.380 0.472 0.003  -0.040 0.052  112 TRP AAA CA   
1661 C C    . TRP A 112 ? 0.363 0.381 0.472 0.002  -0.047 0.052  112 TRP AAA C    
1662 O O    . TRP A 112 ? 0.381 0.396 0.499 0.002  -0.056 0.053  112 TRP AAA O    
1663 C CB   . TRP A 112 ? 0.319 0.351 0.454 0.004  -0.033 0.052  112 TRP AAA CB   
1664 C CG   . TRP A 112 ? 0.307 0.341 0.442 0.005  -0.024 0.052  112 TRP AAA CG   
1665 C CD1  . TRP A 112 ? 0.326 0.360 0.472 0.006  -0.025 0.053  112 TRP AAA CD1  
1666 C CD2  . TRP A 112 ? 0.292 0.329 0.415 0.005  -0.015 0.050  112 TRP AAA CD2  
1667 N NE1  . TRP A 112 ? 0.303 0.339 0.444 0.007  -0.015 0.052  112 TRP AAA NE1  
1668 C CE2  . TRP A 112 ? 0.297 0.334 0.423 0.006  -0.010 0.050  112 TRP AAA CE2  
1669 C CE3  . TRP A 112 ? 0.271 0.309 0.380 0.004  -0.011 0.048  112 TRP AAA CE3  
1670 C CZ2  . TRP A 112 ? 0.300 0.338 0.415 0.005  -0.002 0.048  112 TRP AAA CZ2  
1671 C CZ3  . TRP A 112 ? 0.267 0.307 0.367 0.004  -0.004 0.047  112 TRP AAA CZ3  
1672 C CH2  . TRP A 112 ? 0.301 0.340 0.404 0.005  0.000  0.046  112 TRP AAA CH2  
1673 H H    . TRP A 112 ? 0.400 0.416 0.528 0.004  -0.054 0.055  112 TRP AAA H    
1674 H HA   . TRP A 112 ? 0.355 0.378 0.458 0.003  -0.035 0.051  112 TRP AAA HA   
1675 H HB2  . TRP A 112 ? 0.325 0.357 0.474 0.004  -0.037 0.054  112 TRP AAA HB2  
1676 H HB3  . TRP A 112 ? 0.321 0.355 0.454 0.004  -0.029 0.052  112 TRP AAA HB3  
1677 H HD1  . TRP A 112 ? 0.317 0.350 0.475 0.007  -0.030 0.055  112 TRP AAA HD1  
1678 H HE1  . TRP A 112 ? 0.307 0.342 0.453 0.007  -0.013 0.053  112 TRP AAA HE1  
1679 H HE3  . TRP A 112 ? 0.279 0.316 0.385 0.004  -0.014 0.048  112 TRP AAA HE3  
1680 H HZ2  . TRP A 112 ? 0.299 0.336 0.417 0.006  0.001  0.048  112 TRP AAA HZ2  
1681 H HZ3  . TRP A 112 ? 0.277 0.317 0.369 0.004  -0.002 0.045  112 TRP AAA HZ3  
1682 H HH2  . TRP A 112 ? 0.291 0.331 0.388 0.004  0.005  0.045  112 TRP AAA HH2  
1683 N N    . GLY A 113 ? 0.332 0.349 0.426 0.001  -0.042 0.050  113 GLY AAA N    
1684 C CA   . GLY A 113 ? 0.341 0.354 0.430 0.000  -0.047 0.050  113 GLY AAA CA   
1685 C C    . GLY A 113 ? 0.335 0.356 0.443 0.000  -0.044 0.051  113 GLY AAA C    
1686 O O    . GLY A 113 ? 0.314 0.343 0.437 0.001  -0.037 0.051  113 GLY AAA O    
1687 H H    . GLY A 113 ? 0.337 0.356 0.423 0.002  -0.037 0.049  113 GLY AAA H    
1688 H HA2  . GLY A 113 ? 0.348 0.355 0.436 -0.001 -0.055 0.051  113 GLY AAA HA2  
1689 H HA3  . GLY A 113 ? 0.341 0.352 0.417 -0.000 -0.044 0.049  113 GLY AAA HA3  
1690 N N    . GLN A 114 ? 0.358 0.377 0.463 -0.001 -0.046 0.050  114 GLN AAA N    
1691 C CA   . GLN A 114 ? 0.393 0.417 0.512 -0.002 -0.042 0.050  114 GLN AAA CA   
1692 C C    . GLN A 114 ? 0.337 0.368 0.454 -0.000 -0.030 0.049  114 GLN AAA C    
1693 O O    . GLN A 114 ? 0.313 0.348 0.442 0.000  -0.024 0.050  114 GLN AAA O    
1694 C CB   . GLN A 114 ? 0.489 0.506 0.600 -0.003 -0.048 0.050  114 GLN AAA CB   
1695 C CG   . GLN A 114 ? 0.631 0.651 0.759 -0.005 -0.048 0.050  114 GLN AAA CG   
1696 C CD   . GLN A 114 ? 0.793 0.805 0.924 -0.007 -0.061 0.050  114 GLN AAA CD   
1697 O OE1  . GLN A 114 ? 0.910 0.913 1.022 -0.008 -0.065 0.050  114 GLN AAA OE1  
1698 N NE2  . GLN A 114 ? 0.852 0.867 1.005 -0.008 -0.067 0.051  114 GLN AAA NE2  
1699 H H    . GLN A 114 ? 0.369 0.381 0.461 -0.002 -0.049 0.050  114 GLN AAA H    
1700 H HA   . GLN A 114 ? 0.389 0.416 0.525 -0.002 -0.044 0.051  114 GLN AAA HA   
1701 H HB2  . GLN A 114 ? 0.503 0.513 0.610 -0.004 -0.057 0.050  114 GLN AAA HB2  
1702 H HB3  . GLN A 114 ? 0.496 0.511 0.593 -0.003 -0.045 0.049  114 GLN AAA HB3  
1703 H HG2  . GLN A 114 ? 0.622 0.643 0.745 -0.004 -0.042 0.049  114 GLN AAA HG2  
1704 H HG3  . GLN A 114 ? 0.619 0.644 0.763 -0.004 -0.045 0.051  114 GLN AAA HG3  
1705 H HE21 . GLN A 114 ? 0.840 0.851 0.995 -0.009 -0.077 0.051  114 GLN AAA HE21 
1706 H HE22 . GLN A 114 ? 0.826 0.848 0.994 -0.007 -0.063 0.052  114 GLN AAA HE22 
1707 N N    . GLY A 115 ? 0.290 0.320 0.390 0.001  -0.026 0.049  115 GLY AAA N    
1708 C CA   . GLY A 115 ? 0.271 0.306 0.368 0.002  -0.016 0.048  115 GLY AAA CA   
1709 C C    . GLY A 115 ? 0.277 0.310 0.368 0.002  -0.014 0.048  115 GLY AAA C    
1710 O O    . GLY A 115 ? 0.274 0.302 0.364 0.001  -0.020 0.048  115 GLY AAA O    
1711 H H    . GLY A 115 ? 0.300 0.327 0.391 0.001  -0.028 0.048  115 GLY AAA H    
1712 H HA2  . GLY A 115 ? 0.275 0.310 0.362 0.003  -0.014 0.047  115 GLY AAA HA2  
1713 H HA3  . GLY A 115 ? 0.273 0.310 0.380 0.003  -0.012 0.048  115 GLY AAA HA3  
1714 N N    . THR A 116 ? 0.278 0.314 0.363 0.004  -0.007 0.047  116 THR AAA N    
1715 C CA   . THR A 116 ? 0.271 0.305 0.350 0.005  -0.004 0.047  116 THR AAA CA   
1716 C C    . THR A 116 ? 0.284 0.320 0.368 0.006  0.004  0.047  116 THR AAA C    
1717 O O    . THR A 116 ? 0.258 0.295 0.337 0.008  0.008  0.047  116 THR AAA O    
1718 C CB   . THR A 116 ? 0.273 0.305 0.336 0.006  -0.004 0.046  116 THR AAA CB   
1719 O OG1  . THR A 116 ? 0.292 0.323 0.351 0.007  -0.002 0.047  116 THR AAA OG1  
1720 C CG2  . THR A 116 ? 0.259 0.296 0.316 0.007  -0.001 0.045  116 THR AAA CG2  
1721 H H    . THR A 116 ? 0.273 0.311 0.357 0.005  -0.004 0.047  116 THR AAA H    
1722 H HA   . THR A 116 ? 0.278 0.309 0.361 0.004  -0.006 0.047  116 THR AAA HA   
1723 H HB   . THR A 116 ? 0.276 0.306 0.337 0.005  -0.009 0.046  116 THR AAA HB   
1725 H HG21 . THR A 116 ? 0.261 0.299 0.321 0.007  -0.003 0.045  116 THR AAA HG21 
1726 H HG22 . THR A 116 ? 0.263 0.299 0.313 0.008  -0.002 0.045  116 THR AAA HG22 
1727 H HG23 . THR A 116 ? 0.261 0.300 0.319 0.009  0.003  0.046  116 THR AAA HG23 
1728 N N    . GLN A 117 ? 0.289 0.323 0.380 0.006  0.007  0.048  117 GLN AAA N    
1729 C CA   . GLN A 117 ? 0.303 0.335 0.397 0.007  0.015  0.049  117 GLN AAA CA   
1730 C C    . GLN A 117 ? 0.286 0.315 0.363 0.010  0.019  0.048  117 GLN AAA C    
1731 O O    . GLN A 117 ? 0.284 0.312 0.354 0.010  0.016  0.048  117 GLN AAA O    
1732 C CB   . GLN A 117 ? 0.330 0.359 0.436 0.006  0.017  0.049  117 GLN AAA CB   
1733 C CG   . GLN A 117 ? 0.325 0.350 0.433 0.007  0.028  0.050  117 GLN AAA CG   
1734 C CD   . GLN A 117 ? 0.348 0.373 0.466 0.007  0.033  0.050  117 GLN AAA CD   
1735 O OE1  . GLN A 117 ? 0.377 0.406 0.513 0.005  0.030  0.050  117 GLN AAA OE1  
1736 N NE2  . GLN A 117 ? 0.355 0.375 0.463 0.009  0.041  0.050  117 GLN AAA NE2  
1737 H H    . GLN A 117 ? 0.293 0.325 0.387 0.005  0.003  0.048  117 GLN AAA H    
1738 H HA   . GLN A 117 ? 0.300 0.333 0.399 0.007  0.018  0.049  117 GLN AAA HA   
1739 H HB2  . GLN A 117 ? 0.320 0.351 0.439 0.004  0.014  0.049  117 GLN AAA HB2  
1740 H HB3  . GLN A 117 ? 0.323 0.350 0.425 0.005  0.014  0.049  117 GLN AAA HB3  
1741 H HG2  . GLN A 117 ? 0.334 0.357 0.449 0.006  0.029  0.050  117 GLN AAA HG2  
1742 H HG3  . GLN A 117 ? 0.335 0.357 0.430 0.009  0.030  0.050  117 GLN AAA HG3  
1743 H HE21 . GLN A 117 ? 0.355 0.375 0.468 0.009  0.045  0.050  117 GLN AAA HE21 
1744 H HE22 . GLN A 117 ? 0.357 0.375 0.453 0.010  0.043  0.050  117 GLN AAA HE22 
1745 N N    . VAL A 118 ? 0.305 0.333 0.376 0.011  0.024  0.048  118 VAL AAA N    
1746 C CA   . VAL A 118 ? 0.296 0.320 0.351 0.014  0.028  0.048  118 VAL AAA CA   
1747 C C    . VAL A 118 ? 0.294 0.311 0.350 0.015  0.037  0.049  118 VAL AAA C    
1748 O O    . VAL A 118 ? 0.299 0.313 0.360 0.015  0.041  0.049  118 VAL AAA O    
1749 C CB   . VAL A 118 ? 0.290 0.317 0.337 0.015  0.025  0.047  118 VAL AAA CB   
1750 C CG1  . VAL A 118 ? 0.299 0.321 0.330 0.018  0.027  0.047  118 VAL AAA CG1  
1751 C CG2  . VAL A 118 ? 0.268 0.301 0.315 0.014  0.018  0.047  118 VAL AAA CG2  
1752 H H    . VAL A 118 ? 0.297 0.325 0.373 0.011  0.026  0.048  118 VAL AAA H    
1753 H HA   . VAL A 118 ? 0.296 0.320 0.348 0.015  0.026  0.049  118 VAL AAA HA   
1754 H HB   . VAL A 118 ? 0.288 0.315 0.338 0.015  0.027  0.047  118 VAL AAA HB   
1755 H HG11 . VAL A 118 ? 0.304 0.321 0.333 0.019  0.032  0.048  118 VAL AAA HG11 
1756 H HG12 . VAL A 118 ? 0.297 0.323 0.324 0.019  0.024  0.047  118 VAL AAA HG12 
1757 H HG13 . VAL A 118 ? 0.300 0.321 0.329 0.019  0.027  0.048  118 VAL AAA HG13 
1758 H HG21 . VAL A 118 ? 0.273 0.306 0.317 0.015  0.017  0.047  118 VAL AAA HG21 
1759 H HG22 . VAL A 118 ? 0.272 0.307 0.314 0.015  0.017  0.046  118 VAL AAA HG22 
1760 H HG23 . VAL A 118 ? 0.269 0.304 0.324 0.013  0.017  0.046  118 VAL AAA HG23 
1761 N N    . THR A 119 ? 0.309 0.319 0.359 0.016  0.040  0.050  119 THR AAA N    
1762 C CA   . THR A 119 ? 0.332 0.332 0.379 0.018  0.050  0.051  119 THR AAA CA   
1763 C C    . THR A 119 ? 0.349 0.343 0.375 0.021  0.050  0.051  119 THR AAA C    
1764 O O    . THR A 119 ? 0.332 0.328 0.354 0.022  0.046  0.052  119 THR AAA O    
1765 C CB   . THR A 119 ? 0.350 0.349 0.411 0.016  0.053  0.051  119 THR AAA CB   
1766 O OG1  . THR A 119 ? 0.349 0.355 0.430 0.013  0.050  0.051  119 THR AAA OG1  
1767 C CG2  . THR A 119 ? 0.365 0.352 0.424 0.016  0.065  0.052  119 THR AAA CG2  
1768 H H    . THR A 119 ? 0.308 0.320 0.356 0.017  0.037  0.050  119 THR AAA H    
1769 H HA   . THR A 119 ? 0.336 0.335 0.386 0.017  0.054  0.050  119 THR AAA HA   
1770 H HB   . THR A 119 ? 0.347 0.347 0.405 0.016  0.049  0.051  119 THR AAA HB   
1772 H HG21 . THR A 119 ? 0.371 0.353 0.416 0.019  0.066  0.052  119 THR AAA HG21 
1773 H HG22 . THR A 119 ? 0.363 0.350 0.434 0.015  0.066  0.052  119 THR AAA HG22 
1774 H HG23 . THR A 119 ? 0.367 0.352 0.428 0.016  0.069  0.052  119 THR AAA HG23 
1775 N N    . VAL A 120 ? 0.354 0.339 0.368 0.023  0.055  0.051  120 VAL AAA N    
1776 C CA   . VAL A 120 ? 0.393 0.369 0.385 0.026  0.055  0.052  120 VAL AAA CA   
1777 C C    . VAL A 120 ? 0.446 0.406 0.430 0.028  0.066  0.053  120 VAL AAA C    
1778 O O    . VAL A 120 ? 0.419 0.370 0.400 0.027  0.073  0.053  120 VAL AAA O    
1779 C CB   . VAL A 120 ? 0.393 0.369 0.374 0.027  0.050  0.051  120 VAL AAA CB   
1780 C CG1  . VAL A 120 ? 0.391 0.359 0.351 0.031  0.047  0.051  120 VAL AAA CG1  
1781 C CG2  . VAL A 120 ? 0.379 0.371 0.372 0.025  0.042  0.049  120 VAL AAA CG2  
1782 H H    . VAL A 120 ? 0.363 0.346 0.380 0.022  0.058  0.051  120 VAL AAA H    
1783 H HA   . VAL A 120 ? 0.391 0.371 0.382 0.028  0.051  0.052  120 VAL AAA HA   
1784 H HB   . VAL A 120 ? 0.397 0.367 0.377 0.026  0.055  0.050  120 VAL AAA HB   
1785 H HG11 . VAL A 120 ? 0.408 0.365 0.359 0.032  0.052  0.052  120 VAL AAA HG11 
1786 H HG12 . VAL A 120 ? 0.396 0.367 0.352 0.031  0.042  0.050  120 VAL AAA HG12 
1787 H HG13 . VAL A 120 ? 0.392 0.364 0.354 0.032  0.043  0.052  120 VAL AAA HG13 
1788 H HG21 . VAL A 120 ? 0.373 0.370 0.368 0.026  0.038  0.050  120 VAL AAA HG21 
1789 H HG22 . VAL A 120 ? 0.381 0.373 0.367 0.026  0.039  0.049  120 VAL AAA HG22 
1790 H HG23 . VAL A 120 ? 0.372 0.367 0.376 0.023  0.044  0.049  120 VAL AAA HG23 
1791 N N    . SER A 121 ? 0.490 0.444 0.467 0.029  0.068  0.054  121 SER AAA N    
1792 C CA   . SER A 121 ? 0.596 0.532 0.562 0.031  0.080  0.055  121 SER AAA CA   
1793 C C    . SER A 121 ? 0.659 0.581 0.597 0.035  0.078  0.056  121 SER AAA C    
1794 O O    . SER A 121 ? 0.646 0.573 0.577 0.038  0.068  0.056  121 SER AAA O    
1795 C CB   . SER A 121 ? 0.579 0.513 0.553 0.030  0.085  0.056  121 SER AAA CB   
1796 O OG   . SER A 121 ? 0.676 0.618 0.650 0.032  0.076  0.056  121 SER AAA OG   
1797 H H    . SER A 121 ? 0.494 0.453 0.473 0.030  0.064  0.054  121 SER AAA H    
1798 H HA   . SER A 121 ? 0.585 0.517 0.556 0.029  0.086  0.055  121 SER AAA HA   
1799 H HB2  . SER A 121 ? 0.620 0.541 0.583 0.032  0.092  0.057  121 SER AAA HB2  
1800 H HB3  . SER A 121 ? 0.599 0.537 0.590 0.027  0.087  0.055  121 SER AAA HB3  
1802 N N    . SER A 122 ? 0.803 0.705 0.725 0.036  0.089  0.056  122 SER AAA N    
1803 C CA   . SER A 122 ? 0.885 0.768 0.777 0.040  0.089  0.058  122 SER AAA CA   
1804 C C    . SER A 122 ? 0.883 0.759 0.764 0.044  0.088  0.059  122 SER AAA C    
1805 O O    . SER A 122 ? 0.979 0.855 0.870 0.043  0.094  0.060  122 SER AAA O    
1806 C CB   . SER A 122 ? 0.984 0.846 0.863 0.040  0.102  0.058  122 SER AAA CB   
1807 O OG   . SER A 122 ? 1.005 0.867 0.879 0.038  0.099  0.056  122 SER AAA OG   
1808 H H    . SER A 122 ? 0.785 0.684 0.715 0.034  0.097  0.056  122 SER AAA H    
1809 H HA   . SER A 122 ? 0.884 0.771 0.770 0.041  0.080  0.057  122 SER AAA HA   
1810 H HB2  . SER A 122 ? 0.965 0.827 0.858 0.038  0.110  0.057  122 SER AAA HB2  
1811 H HB3  . SER A 122 ? 0.988 0.834 0.846 0.042  0.104  0.059  122 SER AAA HB3  
1813 N N    . GLU B 29  ? 0.728 0.823 0.882 0.006  -0.024 -0.034 10  GLU BBB N    
1814 C CA   . GLU B 29  ? 0.749 0.840 0.898 0.003  -0.016 -0.035 10  GLU BBB CA   
1815 C C    . GLU B 29  ? 0.721 0.807 0.855 0.001  -0.016 -0.034 10  GLU BBB C    
1816 O O    . GLU B 29  ? 0.838 0.921 0.963 0.003  -0.020 -0.033 10  GLU BBB O    
1817 C CB   . GLU B 29  ? 0.788 0.878 0.937 0.005  -0.011 -0.033 10  GLU BBB CB   
1818 C CG   . GLU B 29  ? 0.805 0.890 0.948 0.002  -0.004 -0.034 10  GLU BBB CG   
1819 C CD   . GLU B 29  ? 0.780 0.859 0.907 0.002  -0.003 -0.033 10  GLU BBB CD   
1820 O OE1  . GLU B 29  ? 0.732 0.809 0.852 0.004  -0.008 -0.032 10  GLU BBB OE1  
1821 O OE2  . GLU B 29  ? 0.613 0.692 0.736 -0.001 0.002  -0.034 10  GLU BBB OE2  
1822 H H    . GLU B 29  ? 0.737 0.832 0.893 0.008  -0.025 -0.033 10  GLU BBB H    
1823 H HA   . GLU B 29  ? 0.745 0.839 0.901 0.001  -0.014 -0.036 10  GLU BBB HA   
1824 H HB2  . GLU B 29  ? 0.783 0.876 0.942 0.006  -0.011 -0.034 10  GLU BBB HB2  
1825 H HB3  . GLU B 29  ? 0.784 0.871 0.928 0.007  -0.014 -0.032 10  GLU BBB HB3  
1826 H HG2  . GLU B 29  ? 0.793 0.880 0.940 0.000  -0.001 -0.035 10  GLU BBB HG2  
1827 H HG3  . GLU B 29  ? 0.795 0.880 0.941 0.004  -0.001 -0.034 10  GLU BBB HG3  
1828 N N    . PRO B 30  ? 0.652 0.736 0.785 -0.002 -0.012 -0.035 11  PRO BBB N    
1829 C CA   . PRO B 30  ? 0.565 0.646 0.687 -0.004 -0.013 -0.035 11  PRO BBB CA   
1830 C C    . PRO B 30  ? 0.453 0.528 0.563 -0.005 -0.009 -0.034 11  PRO BBB C    
1831 O O    . PRO B 30  ? 0.400 0.473 0.505 -0.007 -0.008 -0.033 11  PRO BBB O    
1832 C CB   . PRO B 30  ? 0.594 0.677 0.725 -0.007 -0.010 -0.036 11  PRO BBB CB   
1833 C CG   . PRO B 30  ? 0.620 0.705 0.756 -0.008 -0.003 -0.036 11  PRO BBB CG   
1834 C CD   . PRO B 30  ? 0.647 0.733 0.787 -0.004 -0.005 -0.036 11  PRO BBB CD   
1835 H HA   . PRO B 30  ? 0.565 0.645 0.685 -0.003 -0.018 -0.035 11  PRO BBB HA   
1836 H HB2  . PRO B 30  ? 0.592 0.673 0.718 -0.009 -0.009 -0.036 11  PRO BBB HB2  
1837 H HB3  . PRO B 30  ? 0.594 0.680 0.733 -0.008 -0.013 -0.038 11  PRO BBB HB3  
1838 H HG2  . PRO B 30  ? 0.618 0.699 0.746 -0.008 0.000  -0.035 11  PRO BBB HG2  
1839 H HG3  . PRO B 30  ? 0.619 0.706 0.764 -0.009 -0.001 -0.037 11  PRO BBB HG3  
1840 H HD2  . PRO B 30  ? 0.642 0.727 0.779 -0.004 -0.002 -0.035 11  PRO BBB HD2  
1841 H HD3  . PRO B 30  ? 0.642 0.732 0.793 -0.004 -0.006 -0.037 11  PRO BBB HD3  
1842 N N    . SER B 31  ? 0.375 0.449 0.482 -0.003 -0.006 -0.033 12  SER BBB N    
1843 C CA   . SER B 31  ? 0.365 0.434 0.460 -0.004 -0.003 -0.032 12  SER BBB CA   
1844 C C    . SER B 31  ? 0.370 0.436 0.455 -0.003 -0.007 -0.031 12  SER BBB C    
1845 O O    . SER B 31  ? 0.326 0.389 0.403 -0.005 -0.005 -0.030 12  SER BBB O    
1846 C CB   . SER B 31  ? 0.358 0.426 0.452 -0.003 0.001  -0.032 12  SER BBB CB   
1847 O OG   . SER B 31  ? 0.387 0.454 0.480 0.000  -0.003 -0.031 12  SER BBB OG   
1848 H H    . SER B 31  ? 0.391 0.466 0.502 -0.002 -0.006 -0.033 12  SER BBB H    
1849 H HA   . SER B 31  ? 0.366 0.436 0.461 -0.006 0.000  -0.032 12  SER BBB HA   
1850 H HB2  . SER B 31  ? 0.365 0.432 0.453 -0.004 0.003  -0.032 12  SER BBB HB2  
1851 H HB3  . SER B 31  ? 0.366 0.437 0.467 -0.003 0.003  -0.033 12  SER BBB HB3  
1853 N N    . ALA B 32  ? 0.355 0.421 0.441 -0.001 -0.012 -0.030 13  ALA BBB N    
1854 C CA   . ALA B 32  ? 0.360 0.422 0.435 -0.001 -0.016 -0.030 13  ALA BBB CA   
1855 C C    . ALA B 32  ? 0.370 0.432 0.445 -0.003 -0.016 -0.031 13  ALA BBB C    
1856 O O    . ALA B 32  ? 0.346 0.404 0.412 -0.004 -0.015 -0.030 13  ALA BBB O    
1857 C CB   . ALA B 32  ? 0.376 0.438 0.451 0.002  -0.021 -0.029 13  ALA BBB CB   
1858 H H    . ALA B 32  ? 0.361 0.429 0.452 -0.000 -0.014 -0.031 13  ALA BBB H    
1859 H HA   . ALA B 32  ? 0.363 0.422 0.433 -0.000 -0.014 -0.029 13  ALA BBB HA   
1860 H HB1  . ALA B 32  ? 0.374 0.434 0.442 0.003  -0.023 -0.029 13  ALA BBB HB1  
1861 H HB2  . ALA B 32  ? 0.372 0.435 0.448 0.004  -0.021 -0.028 13  ALA BBB HB2  
1862 H HB3  . ALA B 32  ? 0.372 0.438 0.454 0.002  -0.024 -0.031 13  ALA BBB HB3  
1863 N N    . ASP B 33  ? 0.340 0.405 0.424 -0.005 -0.017 -0.032 14  ASP BBB N    
1864 C CA   . ASP B 33  ? 0.342 0.406 0.426 -0.008 -0.016 -0.033 14  ASP BBB CA   
1865 C C    . ASP B 33  ? 0.271 0.334 0.353 -0.009 -0.010 -0.032 14  ASP BBB C    
1866 O O    . ASP B 33  ? 0.249 0.309 0.326 -0.011 -0.008 -0.031 14  ASP BBB O    
1867 C CB   . ASP B 33  ? 0.424 0.492 0.519 -0.009 -0.018 -0.036 14  ASP BBB CB   
1868 C CG   . ASP B 33  ? 0.507 0.576 0.601 -0.007 -0.026 -0.038 14  ASP BBB CG   
1869 O OD1  . ASP B 33  ? 0.610 0.676 0.696 -0.007 -0.028 -0.038 14  ASP BBB OD1  
1870 O OD2  . ASP B 33  ? 0.623 0.697 0.726 -0.006 -0.029 -0.039 14  ASP BBB OD2  
1871 H H    . ASP B 33  ? 0.347 0.416 0.438 -0.004 -0.017 -0.033 14  ASP BBB H    
1872 H HA   . ASP B 33  ? 0.343 0.404 0.420 -0.007 -0.018 -0.033 14  ASP BBB HA   
1873 H HB2  . ASP B 33  ? 0.418 0.490 0.521 -0.009 -0.017 -0.036 14  ASP BBB HB2  
1874 H HB3  . ASP B 33  ? 0.420 0.487 0.516 -0.011 -0.017 -0.036 14  ASP BBB HB3  
1875 N N    . TRP B 34  ? 0.240 0.304 0.324 -0.009 -0.006 -0.031 15  TRP BBB N    
1876 C CA   . TRP B 34  ? 0.225 0.289 0.306 -0.011 0.000  -0.030 15  TRP BBB CA   
1877 C C    . TRP B 34  ? 0.198 0.258 0.268 -0.010 0.000  -0.028 15  TRP BBB C    
1878 O O    . TRP B 34  ? 0.189 0.247 0.254 -0.011 0.002  -0.027 15  TRP BBB O    
1879 C CB   . TRP B 34  ? 0.264 0.330 0.349 -0.011 0.005  -0.030 15  TRP BBB CB   
1880 C CG   . TRP B 34  ? 0.302 0.373 0.400 -0.012 0.006  -0.031 15  TRP BBB CG   
1881 C CD1  . TRP B 34  ? 0.307 0.379 0.414 -0.013 0.004  -0.032 15  TRP BBB CD1  
1882 C CD2  . TRP B 34  ? 0.320 0.393 0.424 -0.011 0.009  -0.032 15  TRP BBB CD2  
1883 N NE1  . TRP B 34  ? 0.324 0.401 0.443 -0.013 0.007  -0.033 15  TRP BBB NE1  
1884 C CE2  . TRP B 34  ? 0.344 0.421 0.461 -0.012 0.010  -0.033 15  TRP BBB CE2  
1885 C CE3  . TRP B 34  ? 0.334 0.407 0.435 -0.010 0.012  -0.032 15  TRP BBB CE3  
1886 C CZ2  . TRP B 34  ? 0.394 0.474 0.520 -0.012 0.013  -0.034 15  TRP BBB CZ2  
1887 C CZ3  . TRP B 34  ? 0.384 0.460 0.493 -0.010 0.015  -0.033 15  TRP BBB CZ3  
1888 C CH2  . TRP B 34  ? 0.391 0.470 0.513 -0.010 0.016  -0.034 15  TRP BBB CH2  
1889 H H    . TRP B 34  ? 0.243 0.310 0.332 -0.008 -0.006 -0.032 15  TRP BBB H    
1890 H HA   . TRP B 34  ? 0.230 0.293 0.313 -0.012 0.001  -0.030 15  TRP BBB HA   
1891 H HB2  . TRP B 34  ? 0.262 0.328 0.345 -0.010 0.004  -0.030 15  TRP BBB HB2  
1892 H HB3  . TRP B 34  ? 0.263 0.328 0.344 -0.012 0.008  -0.029 15  TRP BBB HB3  
1893 H HD1  . TRP B 34  ? 0.315 0.386 0.420 -0.014 0.002  -0.032 15  TRP BBB HD1  
1894 H HE1  . TRP B 34  ? 0.327 0.406 0.453 -0.014 0.006  -0.034 15  TRP BBB HE1  
1895 H HE3  . TRP B 34  ? 0.341 0.412 0.434 -0.010 0.012  -0.032 15  TRP BBB HE3  
1896 H HZ2  . TRP B 34  ? 0.374 0.457 0.510 -0.012 0.013  -0.035 15  TRP BBB HZ2  
1897 H HZ3  . TRP B 34  ? 0.369 0.444 0.476 -0.009 0.017  -0.034 15  TRP BBB HZ3  
1898 H HH2  . TRP B 34  ? 0.382 0.464 0.511 -0.010 0.019  -0.035 15  TRP BBB HH2  
1899 N N    . LEU B 35  ? 0.191 0.250 0.256 -0.008 -0.002 -0.028 16  LEU BBB N    
1900 C CA   . LEU B 35  ? 0.205 0.260 0.261 -0.008 -0.002 -0.027 16  LEU BBB CA   
1901 C C    . LEU B 35  ? 0.202 0.254 0.253 -0.008 -0.004 -0.026 16  LEU BBB C    
1902 O O    . LEU B 35  ? 0.198 0.248 0.243 -0.008 -0.002 -0.025 16  LEU BBB O    
1903 C CB   . LEU B 35  ? 0.218 0.272 0.271 -0.005 -0.003 -0.027 16  LEU BBB CB   
1904 C CG   . LEU B 35  ? 0.217 0.268 0.262 -0.005 -0.002 -0.026 16  LEU BBB CG   
1905 C CD1  . LEU B 35  ? 0.221 0.274 0.265 -0.007 0.002  -0.026 16  LEU BBB CD1  
1906 C CD2  . LEU B 35  ? 0.232 0.281 0.276 -0.003 -0.003 -0.026 16  LEU BBB CD2  
1907 H H    . LEU B 35  ? 0.196 0.256 0.265 -0.007 -0.004 -0.029 16  LEU BBB H    
1908 H HA   . LEU B 35  ? 0.203 0.259 0.257 -0.008 0.001  -0.027 16  LEU BBB HA   
1909 H HB2  . LEU B 35  ? 0.214 0.270 0.271 -0.005 -0.001 -0.028 16  LEU BBB HB2  
1910 H HB3  . LEU B 35  ? 0.216 0.269 0.270 -0.004 -0.006 -0.027 16  LEU BBB HB3  
1911 H HG   . LEU B 35  ? 0.221 0.271 0.263 -0.005 -0.004 -0.025 16  LEU BBB HG   
1912 H HD11 . LEU B 35  ? 0.220 0.272 0.262 -0.008 0.002  -0.025 16  LEU BBB HD11 
1913 H HD12 . LEU B 35  ? 0.220 0.271 0.259 -0.006 0.002  -0.026 16  LEU BBB HD12 
1914 H HD13 . LEU B 35  ? 0.220 0.274 0.266 -0.007 0.003  -0.027 16  LEU BBB HD13 
1915 H HD21 . LEU B 35  ? 0.227 0.278 0.275 -0.003 -0.001 -0.027 16  LEU BBB HD21 
1916 H HD22 . LEU B 35  ? 0.227 0.275 0.267 -0.003 -0.002 -0.026 16  LEU BBB HD22 
1917 H HD23 . LEU B 35  ? 0.228 0.277 0.274 -0.002 -0.005 -0.026 16  LEU BBB HD23 
1918 N N    . ALA B 36  ? 0.215 0.267 0.267 -0.007 -0.008 -0.027 17  ALA BBB N    
1919 C CA   . ALA B 36  ? 0.222 0.270 0.270 -0.007 -0.010 -0.028 17  ALA BBB CA   
1920 C C    . ALA B 36  ? 0.223 0.271 0.273 -0.010 -0.007 -0.027 17  ALA BBB C    
1921 O O    . ALA B 36  ? 0.213 0.258 0.258 -0.010 -0.006 -0.026 17  ALA BBB O    
1922 C CB   . ALA B 36  ? 0.230 0.279 0.280 -0.006 -0.015 -0.029 17  ALA BBB CB   
1923 H H    . ALA B 36  ? 0.214 0.267 0.270 -0.006 -0.010 -0.028 17  ALA BBB H    
1924 H HA   . ALA B 36  ? 0.222 0.268 0.264 -0.006 -0.010 -0.027 17  ALA BBB HA   
1925 H HB1  . ALA B 36  ? 0.231 0.277 0.277 -0.006 -0.016 -0.030 17  ALA BBB HB1  
1926 H HB2  . ALA B 36  ? 0.229 0.278 0.277 -0.004 -0.016 -0.029 17  ALA BBB HB2  
1927 H HB3  . ALA B 36  ? 0.228 0.280 0.285 -0.007 -0.015 -0.031 17  ALA BBB HB3  
1928 N N    . THR B 37  ? 0.220 0.271 0.278 -0.011 -0.006 -0.028 18  THR BBB N    
1929 C CA   . THR B 37  ? 0.246 0.296 0.307 -0.013 -0.003 -0.027 18  THR BBB CA   
1930 C C    . THR B 37  ? 0.228 0.278 0.284 -0.013 0.001  -0.024 18  THR BBB C    
1931 O O    . THR B 37  ? 0.228 0.276 0.282 -0.014 0.003  -0.023 18  THR BBB O    
1932 C CB   . THR B 37  ? 0.288 0.342 0.361 -0.015 -0.001 -0.028 18  THR BBB CB   
1933 O OG1  . THR B 37  ? 0.287 0.342 0.365 -0.015 -0.006 -0.032 18  THR BBB OG1  
1934 C CG2  . THR B 37  ? 0.307 0.360 0.384 -0.017 0.003  -0.027 18  THR BBB CG2  
1935 H H    . THR B 37  ? 0.226 0.279 0.289 -0.011 -0.006 -0.029 18  THR BBB H    
1936 H HA   . THR B 37  ? 0.246 0.295 0.307 -0.013 -0.004 -0.028 18  THR BBB HA   
1937 H HB   . THR B 37  ? 0.281 0.337 0.355 -0.014 -0.000 -0.028 18  THR BBB HB   
1939 H HG21 . THR B 37  ? 0.301 0.354 0.374 -0.017 0.006  -0.025 18  THR BBB HG21 
1940 H HG22 . THR B 37  ? 0.302 0.357 0.386 -0.018 0.003  -0.028 18  THR BBB HG22 
1941 H HG23 . THR B 37  ? 0.303 0.353 0.377 -0.017 0.002  -0.027 18  THR BBB HG23 
1942 N N    . ALA B 38  ? 0.209 0.261 0.263 -0.012 0.003  -0.024 19  ALA BBB N    
1943 C CA   . ALA B 38  ? 0.200 0.252 0.248 -0.012 0.006  -0.021 19  ALA BBB CA   
1944 C C    . ALA B 38  ? 0.183 0.232 0.224 -0.011 0.005  -0.020 19  ALA BBB C    
1945 O O    . ALA B 38  ? 0.184 0.232 0.222 -0.012 0.006  -0.018 19  ALA BBB O    
1946 C CB   . ALA B 38  ? 0.187 0.242 0.235 -0.012 0.008  -0.022 19  ALA BBB CB   
1947 H H    . ALA B 38  ? 0.210 0.263 0.266 -0.012 0.002  -0.025 19  ALA BBB H    
1948 H HA   . ALA B 38  ? 0.197 0.249 0.247 -0.013 0.008  -0.020 19  ALA BBB HA   
1949 H HB1  . ALA B 38  ? 0.192 0.247 0.236 -0.012 0.010  -0.020 19  ALA BBB HB1  
1950 H HB2  . ALA B 38  ? 0.192 0.248 0.245 -0.013 0.009  -0.022 19  ALA BBB HB2  
1951 H HB3  . ALA B 38  ? 0.190 0.244 0.237 -0.011 0.006  -0.023 19  ALA BBB HB3  
1952 N N    . ALA B 39  ? 0.183 0.230 0.221 -0.010 0.002  -0.021 20  ALA BBB N    
1953 C CA   . ALA B 39  ? 0.176 0.221 0.209 -0.009 0.000  -0.020 20  ALA BBB CA   
1954 C C    . ALA B 39  ? 0.180 0.221 0.212 -0.010 0.000  -0.020 20  ALA BBB C    
1955 O O    . ALA B 39  ? 0.195 0.235 0.223 -0.009 0.002  -0.018 20  ALA BBB O    
1956 C CB   . ALA B 39  ? 0.184 0.226 0.214 -0.008 -0.002 -0.022 20  ALA BBB CB   
1957 H H    . ALA B 39  ? 0.181 0.229 0.221 -0.010 0.000  -0.023 20  ALA BBB H    
1958 H HA   . ALA B 39  ? 0.179 0.224 0.208 -0.009 0.002  -0.019 20  ALA BBB HA   
1959 H HB1  . ALA B 39  ? 0.182 0.223 0.208 -0.007 -0.003 -0.021 20  ALA BBB HB1  
1960 H HB2  . ALA B 39  ? 0.180 0.225 0.211 -0.007 -0.002 -0.022 20  ALA BBB HB2  
1961 H HB3  . ALA B 39  ? 0.183 0.225 0.215 -0.008 -0.004 -0.023 20  ALA BBB HB3  
1962 N N    . ALA B 40  ? 0.181 0.221 0.217 -0.010 -0.001 -0.022 21  ALA BBB N    
1963 C CA   . ALA B 40  ? 0.194 0.231 0.232 -0.011 -0.001 -0.022 21  ALA BBB CA   
1964 C C    . ALA B 40  ? 0.206 0.243 0.246 -0.012 0.003  -0.019 21  ALA BBB C    
1965 O O    . ALA B 40  ? 0.206 0.240 0.244 -0.012 0.004  -0.018 21  ALA BBB O    
1966 C CB   . ALA B 40  ? 0.200 0.238 0.243 -0.012 -0.004 -0.025 21  ALA BBB CB   
1967 H H    . ALA B 40  ? 0.183 0.225 0.222 -0.010 -0.003 -0.023 21  ALA BBB H    
1968 H HA   . ALA B 40  ? 0.196 0.231 0.229 -0.010 -0.002 -0.022 21  ALA BBB HA   
1969 H HB1  . ALA B 40  ? 0.201 0.236 0.245 -0.013 -0.004 -0.026 21  ALA BBB HB1  
1970 H HB2  . ALA B 40  ? 0.199 0.237 0.240 -0.011 -0.007 -0.027 21  ALA BBB HB2  
1971 H HB3  . ALA B 40  ? 0.198 0.238 0.246 -0.013 -0.003 -0.026 21  ALA BBB HB3  
1972 N N    . ARG B 41  ? 0.231 0.271 0.273 -0.013 0.005  -0.018 22  ARG BBB N    
1973 C CA   . ARG B 41  ? 0.253 0.294 0.296 -0.013 0.009  -0.014 22  ARG BBB CA   
1974 C C    . ARG B 41  ? 0.259 0.300 0.295 -0.012 0.010  -0.011 22  ARG BBB C    
1975 O O    . ARG B 41  ? 0.267 0.309 0.304 -0.012 0.013  -0.008 22  ARG BBB O    
1976 C CB   . ARG B 41  ? 0.299 0.342 0.348 -0.015 0.011  -0.015 22  ARG BBB CB   
1977 C CG   . ARG B 41  ? 0.358 0.401 0.417 -0.016 0.011  -0.017 22  ARG BBB CG   
1978 C CD   . ARG B 41  ? 0.434 0.481 0.499 -0.017 0.013  -0.018 22  ARG BBB CD   
1979 N NE   . ARG B 41  ? 0.499 0.546 0.574 -0.019 0.013  -0.020 22  ARG BBB NE   
1980 C CZ   . ARG B 41  ? 0.551 0.600 0.635 -0.020 0.014  -0.022 22  ARG BBB CZ   
1981 N NH1  . ARG B 41  ? 0.587 0.639 0.670 -0.020 0.017  -0.020 22  ARG BBB NH1  
1982 N NH2  . ARG B 41  ? 0.592 0.641 0.685 -0.022 0.013  -0.025 22  ARG BBB NH2  
1983 H H    . ARG B 41  ? 0.227 0.270 0.271 -0.013 0.005  -0.019 22  ARG BBB H    
1984 H HA   . ARG B 41  ? 0.260 0.298 0.305 -0.014 0.010  -0.014 22  ARG BBB HA   
1985 H HB2  . ARG B 41  ? 0.298 0.344 0.346 -0.014 0.011  -0.016 22  ARG BBB HB2  
1986 H HB3  . ARG B 41  ? 0.301 0.345 0.350 -0.015 0.014  -0.012 22  ARG BBB HB3  
1987 H HG2  . ARG B 41  ? 0.361 0.402 0.421 -0.017 0.012  -0.017 22  ARG BBB HG2  
1988 H HG3  . ARG B 41  ? 0.358 0.401 0.416 -0.016 0.007  -0.020 22  ARG BBB HG3  
1989 H HD2  . ARG B 41  ? 0.427 0.476 0.491 -0.017 0.012  -0.018 22  ARG BBB HD2  
1990 H HD3  . ARG B 41  ? 0.430 0.477 0.495 -0.017 0.017  -0.015 22  ARG BBB HD3  
1991 H HE   . ARG B 41  ? 0.500 0.544 0.575 -0.019 0.011  -0.022 22  ARG BBB HE   
1992 H HH11 . ARG B 41  ? 0.570 0.623 0.647 -0.019 0.018  -0.018 22  ARG BBB HH11 
1993 H HH12 . ARG B 41  ? 0.571 0.626 0.661 -0.021 0.019  -0.021 22  ARG BBB HH12 
1994 H HH21 . ARG B 41  ? 0.576 0.623 0.669 -0.023 0.011  -0.026 22  ARG BBB HH21 
1995 H HH22 . ARG B 41  ? 0.575 0.627 0.675 -0.023 0.014  -0.025 22  ARG BBB HH22 
1996 N N    . GLY B 42  ? 0.232 0.275 0.264 -0.011 0.008  -0.012 23  GLY BBB N    
1997 C CA   . GLY B 42  ? 0.239 0.283 0.266 -0.010 0.009  -0.010 23  GLY BBB CA   
1998 C C    . GLY B 42  ? 0.245 0.293 0.271 -0.010 0.010  -0.009 23  GLY BBB C    
1999 O O    . GLY B 42  ? 0.253 0.303 0.274 -0.009 0.011  -0.007 23  GLY BBB O    
2000 H H    . GLY B 42  ? 0.238 0.280 0.270 -0.011 0.006  -0.014 23  GLY BBB H    
2001 H HA2  . GLY B 42  ? 0.237 0.281 0.262 -0.009 0.007  -0.011 23  GLY BBB HA2  
2002 H HA3  . GLY B 42  ? 0.241 0.283 0.267 -0.009 0.009  -0.008 23  GLY BBB HA3  
2003 N N    . ARG B 43  ? 0.239 0.289 0.267 -0.011 0.011  -0.011 24  ARG BBB N    
2004 C CA   . ARG B 43  ? 0.262 0.316 0.290 -0.011 0.014  -0.011 24  ARG BBB CA   
2005 C C    . ARG B 43  ? 0.227 0.283 0.251 -0.011 0.012  -0.013 24  ARG BBB C    
2006 O O    . ARG B 43  ? 0.202 0.258 0.229 -0.011 0.012  -0.016 24  ARG BBB O    
2007 C CB   . ARG B 43  ? 0.329 0.383 0.363 -0.013 0.016  -0.012 24  ARG BBB CB   
2008 C CG   . ARG B 43  ? 0.397 0.449 0.435 -0.013 0.018  -0.009 24  ARG BBB CG   
2009 C CD   . ARG B 43  ? 0.520 0.573 0.567 -0.015 0.020  -0.011 24  ARG BBB CD   
2010 N NE   . ARG B 43  ? 0.680 0.733 0.727 -0.015 0.025  -0.007 24  ARG BBB NE   
2011 C CZ   . ARG B 43  ? 0.834 0.890 0.879 -0.015 0.028  -0.007 24  ARG BBB CZ   
2012 N NH1  . ARG B 43  ? 0.897 0.955 0.941 -0.015 0.027  -0.010 24  ARG BBB NH1  
2013 N NH2  . ARG B 43  ? 0.877 0.933 0.922 -0.015 0.033  -0.003 24  ARG BBB NH2  
2014 H H    . ARG B 43  ? 0.244 0.294 0.276 -0.011 0.010  -0.013 24  ARG BBB H    
2015 H HA   . ARG B 43  ? 0.265 0.319 0.289 -0.011 0.015  -0.008 24  ARG BBB HA   
2016 H HB2  . ARG B 43  ? 0.323 0.376 0.360 -0.013 0.014  -0.014 24  ARG BBB HB2  
2017 H HB3  . ARG B 43  ? 0.327 0.383 0.360 -0.013 0.018  -0.012 24  ARG BBB HB3  
2018 H HG2  . ARG B 43  ? 0.408 0.461 0.443 -0.013 0.020  -0.006 24  ARG BBB HG2  
2019 H HG3  . ARG B 43  ? 0.404 0.454 0.442 -0.013 0.016  -0.009 24  ARG BBB HG3  
2020 H HD2  . ARG B 43  ? 0.519 0.569 0.569 -0.015 0.018  -0.012 24  ARG BBB HD2  
2021 H HD3  . ARG B 43  ? 0.519 0.573 0.566 -0.015 0.019  -0.013 24  ARG BBB HD3  
2022 H HE   . ARG B 43  ? 0.683 0.733 0.731 -0.015 0.026  -0.005 24  ARG BBB HE   
2023 H HH11 . ARG B 43  ? 0.859 0.917 0.903 -0.015 0.024  -0.012 24  ARG BBB HH11 
2024 H HH12 . ARG B 43  ? 0.866 0.926 0.908 -0.015 0.030  -0.010 24  ARG BBB HH12 
2025 H HH21 . ARG B 43  ? 0.857 0.910 0.903 -0.015 0.034  -0.001 24  ARG BBB HH21 
2026 H HH22 . ARG B 43  ? 0.858 0.915 0.901 -0.015 0.036  -0.003 24  ARG BBB HH22 
2027 N N    . VAL B 44  ? 0.229 0.286 0.247 -0.010 0.012  -0.012 25  VAL BBB N    
2028 C CA   . VAL B 44  ? 0.229 0.288 0.245 -0.010 0.010  -0.015 25  VAL BBB CA   
2029 C C    . VAL B 44  ? 0.207 0.269 0.224 -0.011 0.012  -0.018 25  VAL BBB C    
2030 O O    . VAL B 44  ? 0.207 0.268 0.225 -0.011 0.011  -0.021 25  VAL BBB O    
2031 C CB   . VAL B 44  ? 0.247 0.309 0.258 -0.010 0.009  -0.013 25  VAL BBB CB   
2032 C CG1  . VAL B 44  ? 0.247 0.310 0.256 -0.010 0.008  -0.017 25  VAL BBB CG1  
2033 C CG2  . VAL B 44  ? 0.258 0.316 0.269 -0.009 0.008  -0.011 25  VAL BBB CG2  
2034 H H    . VAL B 44  ? 0.231 0.289 0.247 -0.010 0.012  -0.010 25  VAL BBB H    
2035 H HA   . VAL B 44  ? 0.225 0.282 0.242 -0.010 0.009  -0.016 25  VAL BBB HA   
2036 H HB   . VAL B 44  ? 0.249 0.312 0.258 -0.010 0.010  -0.012 25  VAL BBB HB   
2037 H HG11 . VAL B 44  ? 0.249 0.314 0.256 -0.010 0.009  -0.018 25  VAL BBB HG11 
2038 H HG12 . VAL B 44  ? 0.247 0.311 0.254 -0.010 0.007  -0.016 25  VAL BBB HG12 
2039 H HG13 . VAL B 44  ? 0.244 0.306 0.256 -0.010 0.007  -0.019 25  VAL BBB HG13 
2040 H HG21 . VAL B 44  ? 0.252 0.308 0.265 -0.009 0.007  -0.013 25  VAL BBB HG21 
2041 H HG22 . VAL B 44  ? 0.255 0.315 0.264 -0.008 0.007  -0.010 25  VAL BBB HG22 
2042 H HG23 . VAL B 44  ? 0.255 0.312 0.267 -0.009 0.009  -0.009 25  VAL BBB HG23 
2043 N N    . GLU B 45  ? 0.229 0.293 0.243 -0.011 0.015  -0.016 26  GLU BBB N    
2044 C CA   . GLU B 45  ? 0.228 0.294 0.241 -0.012 0.017  -0.019 26  GLU BBB CA   
2045 C C    . GLU B 45  ? 0.240 0.305 0.261 -0.012 0.018  -0.021 26  GLU BBB C    
2046 O O    . GLU B 45  ? 0.224 0.290 0.247 -0.013 0.019  -0.025 26  GLU BBB O    
2047 C CB   . GLU B 45  ? 0.253 0.322 0.261 -0.012 0.020  -0.017 26  GLU BBB CB   
2048 C CG   . GLU B 45  ? 0.268 0.339 0.267 -0.011 0.018  -0.016 26  GLU BBB CG   
2049 C CD   . GLU B 45  ? 0.270 0.344 0.268 -0.012 0.016  -0.021 26  GLU BBB CD   
2050 O OE1  . GLU B 45  ? 0.268 0.342 0.269 -0.013 0.018  -0.025 26  GLU BBB OE1  
2051 O OE2  . GLU B 45  ? 0.267 0.344 0.262 -0.012 0.013  -0.021 26  GLU BBB OE2  
2052 H H    . GLU B 45  ? 0.226 0.290 0.238 -0.011 0.015  -0.014 26  GLU BBB H    
2053 H HA   . GLU B 45  ? 0.235 0.302 0.246 -0.012 0.016  -0.021 26  GLU BBB HA   
2054 H HB2  . GLU B 45  ? 0.252 0.320 0.261 -0.012 0.021  -0.014 26  GLU BBB HB2  
2055 H HB3  . GLU B 45  ? 0.253 0.324 0.261 -0.012 0.022  -0.019 26  GLU BBB HB3  
2056 H HG2  . GLU B 45  ? 0.264 0.334 0.264 -0.011 0.016  -0.014 26  GLU BBB HG2  
2057 H HG3  . GLU B 45  ? 0.270 0.344 0.266 -0.011 0.019  -0.014 26  GLU BBB HG3  
2058 N N    . GLU B 46  ? 0.236 0.299 0.262 -0.012 0.018  -0.019 27  GLU BBB N    
2059 C CA   . GLU B 46  ? 0.230 0.292 0.264 -0.013 0.018  -0.021 27  GLU BBB CA   
2060 C C    . GLU B 46  ? 0.197 0.258 0.233 -0.012 0.015  -0.023 27  GLU BBB C    
2061 O O    . GLU B 46  ? 0.187 0.249 0.228 -0.012 0.015  -0.026 27  GLU BBB O    
2062 C CB   . GLU B 46  ? 0.287 0.347 0.326 -0.013 0.019  -0.019 27  GLU BBB CB   
2063 C CG   . GLU B 46  ? 0.360 0.421 0.408 -0.013 0.018  -0.021 27  GLU BBB CG   
2064 C CD   . GLU B 46  ? 0.498 0.559 0.553 -0.015 0.019  -0.020 27  GLU BBB CD   
2065 O OE1  . GLU B 46  ? 0.476 0.535 0.528 -0.015 0.021  -0.017 27  GLU BBB OE1  
2066 O OE2  . GLU B 46  ? 0.643 0.704 0.706 -0.015 0.018  -0.022 27  GLU BBB OE2  
2067 H H    . GLU B 46  ? 0.237 0.299 0.262 -0.012 0.018  -0.017 27  GLU BBB H    
2068 H HA   . GLU B 46  ? 0.236 0.300 0.271 -0.013 0.021  -0.022 27  GLU BBB HA   
2069 H HB2  . GLU B 46  ? 0.291 0.352 0.329 -0.014 0.021  -0.017 27  GLU BBB HB2  
2070 H HB3  . GLU B 46  ? 0.286 0.345 0.323 -0.013 0.017  -0.018 27  GLU BBB HB3  
2071 H HG2  . GLU B 46  ? 0.363 0.423 0.412 -0.013 0.015  -0.022 27  GLU BBB HG2  
2072 H HG3  . GLU B 46  ? 0.367 0.430 0.417 -0.013 0.020  -0.022 27  GLU BBB HG3  
2073 N N    . VAL B 47  ? 0.177 0.235 0.210 -0.011 0.012  -0.022 28  VAL BBB N    
2074 C CA   . VAL B 47  ? 0.180 0.237 0.213 -0.010 0.009  -0.024 28  VAL BBB CA   
2075 C C    . VAL B 47  ? 0.195 0.253 0.227 -0.010 0.010  -0.026 28  VAL BBB C    
2076 O O    . VAL B 47  ? 0.197 0.255 0.233 -0.009 0.010  -0.028 28  VAL BBB O    
2077 C CB   . VAL B 47  ? 0.174 0.228 0.203 -0.010 0.007  -0.022 28  VAL BBB CB   
2078 C CG1  . VAL B 47  ? 0.187 0.239 0.215 -0.008 0.005  -0.023 28  VAL BBB CG1  
2079 C CG2  . VAL B 47  ? 0.175 0.227 0.206 -0.010 0.006  -0.021 28  VAL BBB CG2  
2080 H H    . VAL B 47  ? 0.183 0.241 0.213 -0.011 0.012  -0.021 28  VAL BBB H    
2081 H HA   . VAL B 47  ? 0.180 0.236 0.217 -0.010 0.008  -0.025 28  VAL BBB HA   
2082 H HB   . VAL B 47  ? 0.179 0.234 0.204 -0.010 0.008  -0.021 28  VAL BBB HB   
2083 H HG11 . VAL B 47  ? 0.183 0.236 0.210 -0.009 0.006  -0.024 28  VAL BBB HG11 
2084 H HG12 . VAL B 47  ? 0.183 0.233 0.208 -0.008 0.004  -0.022 28  VAL BBB HG12 
2085 H HG13 . VAL B 47  ? 0.183 0.234 0.214 -0.008 0.004  -0.024 28  VAL BBB HG13 
2086 H HG21 . VAL B 47  ? 0.175 0.226 0.208 -0.009 0.004  -0.022 28  VAL BBB HG21 
2087 H HG22 . VAL B 47  ? 0.175 0.225 0.203 -0.009 0.005  -0.020 28  VAL BBB HG22 
2088 H HG23 . VAL B 47  ? 0.176 0.229 0.207 -0.010 0.007  -0.020 28  VAL BBB HG23 
2089 N N    . ARG B 48  ? 0.202 0.262 0.229 -0.011 0.012  -0.027 29  ARG BBB N    
2090 C CA   . ARG B 48  ? 0.222 0.283 0.247 -0.011 0.013  -0.030 29  ARG BBB CA   
2091 C C    . ARG B 48  ? 0.219 0.281 0.249 -0.011 0.016  -0.032 29  ARG BBB C    
2092 O O    . ARG B 48  ? 0.237 0.299 0.271 -0.011 0.016  -0.034 29  ARG BBB O    
2093 C CB   . ARG B 48  ? 0.231 0.295 0.250 -0.012 0.014  -0.030 29  ARG BBB CB   
2094 C CG   . ARG B 48  ? 0.262 0.328 0.280 -0.013 0.014  -0.034 29  ARG BBB CG   
2095 C CD   . ARG B 48  ? 0.290 0.360 0.301 -0.014 0.015  -0.034 29  ARG BBB CD   
2096 N NE   . ARG B 48  ? 0.306 0.377 0.313 -0.013 0.013  -0.031 29  ARG BBB NE   
2097 C CZ   . ARG B 48  ? 0.357 0.429 0.363 -0.013 0.010  -0.030 29  ARG BBB CZ   
2098 N NH1  . ARG B 48  ? 0.349 0.420 0.357 -0.013 0.009  -0.033 29  ARG BBB NH1  
2099 N NH2  . ARG B 48  ? 0.371 0.444 0.374 -0.012 0.009  -0.026 29  ARG BBB NH2  
2100 H H    . ARG B 48  ? 0.206 0.267 0.230 -0.011 0.012  -0.025 29  ARG BBB H    
2101 H HA   . ARG B 48  ? 0.217 0.277 0.243 -0.011 0.012  -0.030 29  ARG BBB HA   
2102 H HB2  . ARG B 48  ? 0.236 0.300 0.252 -0.012 0.012  -0.028 29  ARG BBB HB2  
2103 H HB3  . ARG B 48  ? 0.238 0.304 0.256 -0.012 0.016  -0.029 29  ARG BBB HB3  
2104 H HG2  . ARG B 48  ? 0.260 0.325 0.281 -0.013 0.016  -0.036 29  ARG BBB HG2  
2105 H HG3  . ARG B 48  ? 0.258 0.322 0.277 -0.012 0.013  -0.034 29  ARG BBB HG3  
2106 H HD2  . ARG B 48  ? 0.290 0.361 0.301 -0.014 0.017  -0.035 29  ARG BBB HD2  
2107 H HD3  . ARG B 48  ? 0.289 0.360 0.300 -0.014 0.014  -0.037 29  ARG BBB HD3  
2108 H HE   . ARG B 48  ? 0.317 0.389 0.323 -0.013 0.014  -0.029 29  ARG BBB HE   
2109 H HH11 . ARG B 48  ? 0.349 0.419 0.360 -0.014 0.010  -0.035 29  ARG BBB HH11 
2110 H HH12 . ARG B 48  ? 0.348 0.420 0.356 -0.013 0.007  -0.032 29  ARG BBB HH12 
2111 H HH21 . ARG B 48  ? 0.365 0.438 0.366 -0.012 0.010  -0.024 29  ARG BBB HH21 
2112 H HH22 . ARG B 48  ? 0.362 0.436 0.365 -0.012 0.007  -0.026 29  ARG BBB HH22 
2113 N N    . ALA B 49  ? 0.217 0.281 0.248 -0.012 0.018  -0.031 30  ALA BBB N    
2114 C CA   . ALA B 49  ? 0.211 0.276 0.247 -0.012 0.022  -0.033 30  ALA BBB CA   
2115 C C    . ALA B 49  ? 0.211 0.275 0.256 -0.011 0.020  -0.034 30  ALA BBB C    
2116 O O    . ALA B 49  ? 0.219 0.283 0.268 -0.011 0.022  -0.036 30  ALA BBB O    
2117 C CB   . ALA B 49  ? 0.232 0.299 0.268 -0.013 0.025  -0.032 30  ALA BBB CB   
2118 H H    . ALA B 49  ? 0.217 0.281 0.246 -0.012 0.018  -0.029 30  ALA BBB H    
2119 H HA   . ALA B 49  ? 0.218 0.284 0.253 -0.012 0.023  -0.036 30  ALA BBB HA   
2120 H HB1  . ALA B 49  ? 0.227 0.295 0.267 -0.013 0.027  -0.033 30  ALA BBB HB1  
2121 H HB2  . ALA B 49  ? 0.229 0.297 0.259 -0.013 0.026  -0.031 30  ALA BBB HB2  
2122 H HB3  . ALA B 49  ? 0.224 0.291 0.263 -0.013 0.024  -0.030 30  ALA BBB HB3  
2123 N N    . LEU B 50  ? 0.206 0.269 0.253 -0.010 0.017  -0.031 31  LEU BBB N    
2124 C CA   . LEU B 50  ? 0.208 0.270 0.262 -0.009 0.014  -0.032 31  LEU BBB CA   
2125 C C    . LEU B 50  ? 0.217 0.277 0.271 -0.008 0.013  -0.033 31  LEU BBB C    
2126 O O    . LEU B 50  ? 0.206 0.266 0.266 -0.006 0.013  -0.034 31  LEU BBB O    
2127 C CB   . LEU B 50  ? 0.214 0.274 0.268 -0.009 0.011  -0.029 31  LEU BBB CB   
2128 C CG   . LEU B 50  ? 0.209 0.272 0.269 -0.010 0.013  -0.029 31  LEU BBB CG   
2129 C CD1  . LEU B 50  ? 0.198 0.259 0.256 -0.011 0.010  -0.027 31  LEU BBB CD1  
2130 C CD2  . LEU B 50  ? 0.229 0.294 0.298 -0.010 0.014  -0.030 31  LEU BBB CD2  
2131 H H    . LEU B 50  ? 0.207 0.270 0.251 -0.011 0.016  -0.030 31  LEU BBB H    
2132 H HA   . LEU B 50  ? 0.211 0.274 0.271 -0.009 0.016  -0.033 31  LEU BBB HA   
2133 H HB2  . LEU B 50  ? 0.211 0.270 0.260 -0.009 0.010  -0.028 31  LEU BBB HB2  
2134 H HB3  . LEU B 50  ? 0.210 0.270 0.268 -0.008 0.009  -0.030 31  LEU BBB HB3  
2135 H HG   . LEU B 50  ? 0.213 0.277 0.270 -0.011 0.016  -0.029 31  LEU BBB HG   
2136 H HD11 . LEU B 50  ? 0.201 0.261 0.254 -0.011 0.010  -0.026 31  LEU BBB HD11 
2137 H HD12 . LEU B 50  ? 0.202 0.264 0.264 -0.012 0.012  -0.027 31  LEU BBB HD12 
2138 H HD13 . LEU B 50  ? 0.200 0.261 0.261 -0.010 0.007  -0.028 31  LEU BBB HD13 
2139 H HD21 . LEU B 50  ? 0.221 0.286 0.293 -0.009 0.011  -0.030 31  LEU BBB HD21 
2140 H HD22 . LEU B 50  ? 0.223 0.289 0.296 -0.011 0.014  -0.030 31  LEU BBB HD22 
2141 H HD23 . LEU B 50  ? 0.223 0.289 0.293 -0.010 0.016  -0.031 31  LEU BBB HD23 
2142 N N    . LEU B 51  ? 0.209 0.266 0.256 -0.008 0.012  -0.032 32  LEU BBB N    
2143 C CA   . LEU B 51  ? 0.235 0.290 0.281 -0.007 0.011  -0.033 32  LEU BBB CA   
2144 C C    . LEU B 51  ? 0.257 0.313 0.306 -0.007 0.015  -0.036 32  LEU BBB C    
2145 O O    . LEU B 51  ? 0.271 0.325 0.324 -0.006 0.015  -0.036 32  LEU BBB O    
2146 C CB   . LEU B 51  ? 0.248 0.301 0.288 -0.007 0.010  -0.032 32  LEU BBB CB   
2147 C CG   . LEU B 51  ? 0.247 0.298 0.284 -0.006 0.007  -0.029 32  LEU BBB CG   
2148 C CD1  . LEU B 51  ? 0.255 0.306 0.287 -0.007 0.006  -0.028 32  LEU BBB CD1  
2149 C CD2  . LEU B 51  ? 0.237 0.286 0.277 -0.004 0.004  -0.028 32  LEU BBB CD2  
2150 H H    . LEU B 51  ? 0.217 0.274 0.260 -0.008 0.011  -0.031 32  LEU BBB H    
2151 H HA   . LEU B 51  ? 0.235 0.289 0.285 -0.005 0.009  -0.032 32  LEU BBB HA   
2152 H HB2  . LEU B 51  ? 0.245 0.300 0.282 -0.008 0.011  -0.032 32  LEU BBB HB2  
2153 H HB3  . LEU B 51  ? 0.245 0.297 0.285 -0.007 0.010  -0.032 32  LEU BBB HB3  
2154 H HG   . LEU B 51  ? 0.246 0.299 0.284 -0.007 0.006  -0.028 32  LEU BBB HG   
2155 H HD11 . LEU B 51  ? 0.253 0.305 0.283 -0.008 0.007  -0.028 32  LEU BBB HD11 
2156 H HD12 . LEU B 51  ? 0.252 0.301 0.283 -0.006 0.004  -0.026 32  LEU BBB HD12 
2157 H HD13 . LEU B 51  ? 0.253 0.302 0.284 -0.007 0.006  -0.029 32  LEU BBB HD13 
2158 H HD21 . LEU B 51  ? 0.241 0.288 0.281 -0.004 0.005  -0.028 32  LEU BBB HD21 
2159 H HD22 . LEU B 51  ? 0.240 0.288 0.277 -0.004 0.003  -0.027 32  LEU BBB HD22 
2160 H HD23 . LEU B 51  ? 0.240 0.290 0.284 -0.004 0.004  -0.028 32  LEU BBB HD23 
2161 N N    . GLU B 52  ? 0.277 0.335 0.323 -0.009 0.017  -0.038 33  GLU BBB N    
2162 C CA   . GLU B 52  ? 0.297 0.356 0.344 -0.010 0.021  -0.042 33  GLU BBB CA   
2163 C C    . GLU B 52  ? 0.314 0.374 0.370 -0.009 0.023  -0.042 33  GLU BBB C    
2164 O O    . GLU B 52  ? 0.344 0.402 0.404 -0.008 0.025  -0.045 33  GLU BBB O    
2165 C CB   . GLU B 52  ? 0.331 0.393 0.372 -0.011 0.023  -0.043 33  GLU BBB CB   
2166 C CG   . GLU B 52  ? 0.354 0.416 0.388 -0.012 0.020  -0.043 33  GLU BBB CG   
2167 C CD   . GLU B 52  ? 0.436 0.497 0.472 -0.013 0.021  -0.046 33  GLU BBB CD   
2168 O OE1  . GLU B 52  ? 0.475 0.536 0.513 -0.013 0.024  -0.051 33  GLU BBB OE1  
2169 O OE2  . GLU B 52  ? 0.449 0.507 0.484 -0.012 0.018  -0.045 33  GLU BBB OE2  
2170 H H    . GLU B 52  ? 0.276 0.336 0.319 -0.010 0.017  -0.037 33  GLU BBB H    
2171 H HA   . GLU B 52  ? 0.303 0.360 0.350 -0.009 0.020  -0.042 33  GLU BBB HA   
2172 H HB2  . GLU B 52  ? 0.328 0.392 0.368 -0.012 0.023  -0.041 33  GLU BBB HB2  
2173 H HB3  . GLU B 52  ? 0.331 0.394 0.373 -0.012 0.025  -0.046 33  GLU BBB HB3  
2174 H HG2  . GLU B 52  ? 0.363 0.424 0.396 -0.012 0.018  -0.040 33  GLU BBB HG2  
2175 H HG3  . GLU B 52  ? 0.368 0.433 0.398 -0.013 0.021  -0.044 33  GLU BBB HG3  
2176 N N    . ALA B 53  ? 0.329 0.390 0.389 -0.008 0.022  -0.040 34  ALA BBB N    
2177 C CA   . ALA B 53  ? 0.347 0.409 0.416 -0.007 0.024  -0.041 34  ALA BBB CA   
2178 C C    . ALA B 53  ? 0.382 0.442 0.456 -0.004 0.021  -0.039 34  ALA BBB C    
2179 O O    . ALA B 53  ? 0.431 0.492 0.514 -0.003 0.022  -0.039 34  ALA BBB O    
2180 C CB   . ALA B 53  ? 0.355 0.419 0.426 -0.008 0.025  -0.040 34  ALA BBB CB   
2181 H H    . ALA B 53  ? 0.328 0.389 0.385 -0.008 0.021  -0.039 34  ALA BBB H    
2182 H HA   . ALA B 53  ? 0.354 0.416 0.424 -0.007 0.027  -0.044 34  ALA BBB HA   
2183 H HB1  . ALA B 53  ? 0.353 0.419 0.431 -0.007 0.026  -0.041 34  ALA BBB HB1  
2184 H HB2  . ALA B 53  ? 0.354 0.420 0.421 -0.009 0.027  -0.040 34  ALA BBB HB2  
2185 H HB3  . ALA B 53  ? 0.350 0.415 0.421 -0.007 0.022  -0.038 34  ALA BBB HB3  
2186 N N    . GLY B 54  ? 0.326 0.384 0.397 -0.004 0.017  -0.037 35  GLY BBB N    
2187 C CA   . GLY B 54  ? 0.320 0.375 0.394 -0.001 0.015  -0.036 35  GLY BBB CA   
2188 C C    . GLY B 54  ? 0.314 0.369 0.388 0.000  0.010  -0.033 35  GLY BBB C    
2189 O O    . GLY B 54  ? 0.337 0.391 0.414 0.003  0.007  -0.031 35  GLY BBB O    
2190 H H    . GLY B 54  ? 0.336 0.393 0.401 -0.005 0.017  -0.037 35  GLY BBB H    
2191 H HA2  . GLY B 54  ? 0.321 0.374 0.392 -0.001 0.015  -0.035 35  GLY BBB HA2  
2192 H HA3  . GLY B 54  ? 0.322 0.377 0.402 0.000  0.016  -0.036 35  GLY BBB HA3  
2193 N N    . ALA B 55  ? 0.286 0.343 0.356 -0.001 0.008  -0.032 36  ALA BBB N    
2194 C CA   . ALA B 55  ? 0.291 0.348 0.359 -0.001 0.004  -0.030 36  ALA BBB CA   
2195 C C    . ALA B 55  ? 0.305 0.357 0.367 0.001  0.002  -0.028 36  ALA BBB C    
2196 O O    . ALA B 55  ? 0.285 0.335 0.341 0.000  0.003  -0.029 36  ALA BBB O    
2197 C CB   . ALA B 55  ? 0.285 0.343 0.350 -0.003 0.004  -0.030 36  ALA BBB CB   
2198 H H    . ALA B 55  ? 0.293 0.351 0.361 -0.003 0.010  -0.033 36  ALA BBB H    
2199 H HA   . ALA B 55  ? 0.292 0.350 0.366 0.000  0.002  -0.030 36  ALA BBB HA   
2200 H HB1  . ALA B 55  ? 0.287 0.344 0.351 -0.003 0.001  -0.029 36  ALA BBB HB1  
2201 H HB2  . ALA B 55  ? 0.286 0.346 0.356 -0.004 0.006  -0.031 36  ALA BBB HB2  
2202 H HB3  . ALA B 55  ? 0.286 0.343 0.346 -0.004 0.005  -0.030 36  ALA BBB HB3  
2203 N N    . LEU B 56  ? 0.326 0.377 0.389 0.003  -0.002 -0.027 37  LEU BBB N    
2204 C CA   . LEU B 56  ? 0.345 0.392 0.402 0.005  -0.003 -0.025 37  LEU BBB CA   
2205 C C    . LEU B 56  ? 0.309 0.354 0.358 0.004  -0.005 -0.024 37  LEU BBB C    
2206 O O    . LEU B 56  ? 0.294 0.340 0.342 0.004  -0.008 -0.024 37  LEU BBB O    
2207 C CB   . LEU B 56  ? 0.411 0.458 0.471 0.009  -0.006 -0.023 37  LEU BBB CB   
2208 C CG   . LEU B 56  ? 0.439 0.487 0.508 0.010  -0.004 -0.023 37  LEU BBB CG   
2209 C CD1  . LEU B 56  ? 0.483 0.530 0.554 0.014  -0.007 -0.020 37  LEU BBB CD1  
2210 C CD2  . LEU B 56  ? 0.476 0.521 0.544 0.010  0.001  -0.024 37  LEU BBB CD2  
2211 H H    . LEU B 56  ? 0.326 0.379 0.392 0.004  -0.004 -0.027 37  LEU BBB H    
2212 H HA   . LEU B 56  ? 0.345 0.391 0.402 0.005  -0.001 -0.025 37  LEU BBB HA   
2213 H HB2  . LEU B 56  ? 0.401 0.450 0.463 0.009  -0.009 -0.023 37  LEU BBB HB2  
2214 H HB3  . LEU B 56  ? 0.404 0.447 0.459 0.010  -0.007 -0.021 37  LEU BBB HB3  
2215 H HG   . LEU B 56  ? 0.446 0.497 0.520 0.009  -0.003 -0.024 37  LEU BBB HG   
2216 H HD11 . LEU B 56  ? 0.470 0.520 0.542 0.015  -0.011 -0.020 37  LEU BBB HD11 
2217 H HD12 . LEU B 56  ? 0.471 0.519 0.548 0.015  -0.006 -0.020 37  LEU BBB HD12 
2218 H HD13 . LEU B 56  ? 0.473 0.517 0.538 0.016  -0.008 -0.018 37  LEU BBB HD13 
2219 H HD21 . LEU B 56  ? 0.466 0.507 0.528 0.010  0.001  -0.023 37  LEU BBB HD21 
2220 H HD22 . LEU B 56  ? 0.466 0.510 0.539 0.011  0.002  -0.024 37  LEU BBB HD22 
2221 H HD23 . LEU B 56  ? 0.462 0.508 0.530 0.007  0.003  -0.026 37  LEU BBB HD23 
2222 N N    . PRO B 57  ? 0.309 0.351 0.352 0.004  -0.003 -0.024 38  PRO BBB N    
2223 C CA   . PRO B 57  ? 0.292 0.333 0.328 0.003  -0.004 -0.023 38  PRO BBB CA   
2224 C C    . PRO B 57  ? 0.290 0.328 0.321 0.005  -0.008 -0.021 38  PRO BBB C    
2225 O O    . PRO B 57  ? 0.288 0.325 0.315 0.004  -0.009 -0.021 38  PRO BBB O    
2226 C CB   . PRO B 57  ? 0.300 0.338 0.333 0.002  -0.001 -0.023 38  PRO BBB CB   
2227 C CG   . PRO B 57  ? 0.309 0.346 0.346 0.003  0.001  -0.023 38  PRO BBB CG   
2228 C CD   . PRO B 57  ? 0.331 0.371 0.374 0.004  0.000  -0.024 38  PRO BBB CD   
2229 H HA   . PRO B 57  ? 0.294 0.336 0.331 0.001  -0.004 -0.024 38  PRO BBB HA   
2230 H HB2  . PRO B 57  ? 0.301 0.337 0.330 0.003  -0.002 -0.022 38  PRO BBB HB2  
2231 H HB3  . PRO B 57  ? 0.298 0.338 0.331 0.000  0.000  -0.024 38  PRO BBB HB3  
2232 H HG2  . PRO B 57  ? 0.315 0.349 0.350 0.005  0.000  -0.021 38  PRO BBB HG2  
2233 H HG3  . PRO B 57  ? 0.311 0.348 0.349 0.002  0.003  -0.024 38  PRO BBB HG3  
2234 H HD2  . PRO B 57  ? 0.323 0.362 0.369 0.006  0.000  -0.023 38  PRO BBB HD2  
2235 H HD3  . PRO B 57  ? 0.319 0.361 0.365 0.002  0.002  -0.026 38  PRO BBB HD3  
2236 N N    . ASN B 58  ? 0.294 0.331 0.326 0.008  -0.009 -0.020 39  ASN BBB N    
2237 C CA   . ASN B 58  ? 0.296 0.330 0.321 0.010  -0.013 -0.018 39  ASN BBB CA   
2238 C C    . ASN B 58  ? 0.333 0.371 0.363 0.011  -0.017 -0.019 39  ASN BBB C    
2239 O O    . ASN B 58  ? 0.350 0.386 0.375 0.013  -0.021 -0.018 39  ASN BBB O    
2240 C CB   . ASN B 58  ? 0.317 0.346 0.338 0.013  -0.012 -0.015 39  ASN BBB CB   
2241 C CG   . ASN B 58  ? 0.296 0.322 0.314 0.012  -0.007 -0.015 39  ASN BBB CG   
2242 O OD1  . ASN B 58  ? 0.302 0.327 0.315 0.010  -0.007 -0.015 39  ASN BBB OD1  
2243 N ND2  . ASN B 58  ? 0.288 0.313 0.310 0.012  -0.004 -0.015 39  ASN BBB ND2  
2244 H H    . ASN B 58  ? 0.293 0.330 0.329 0.008  -0.008 -0.020 39  ASN BBB H    
2245 H HA   . ASN B 58  ? 0.306 0.339 0.327 0.009  -0.013 -0.019 39  ASN BBB HA   
2246 H HB2  . ASN B 58  ? 0.308 0.339 0.335 0.014  -0.011 -0.015 39  ASN BBB HB2  
2247 H HB3  . ASN B 58  ? 0.313 0.341 0.330 0.014  -0.014 -0.014 39  ASN BBB HB3  
2248 H HD21 . ASN B 58  ? 0.291 0.313 0.311 0.012  -0.001 -0.014 39  ASN BBB HD21 
2249 H HD22 . ASN B 58  ? 0.289 0.316 0.316 0.012  -0.003 -0.015 39  ASN BBB HD22 
2250 N N    . ALA B 59  ? 0.329 0.371 0.367 0.009  -0.017 -0.021 40  ALA BBB N    
2251 C CA   . ALA B 59  ? 0.324 0.371 0.368 0.010  -0.022 -0.022 40  ALA BBB CA   
2252 C C    . ALA B 59  ? 0.317 0.364 0.357 0.008  -0.025 -0.024 40  ALA BBB C    
2253 O O    . ALA B 59  ? 0.336 0.383 0.377 0.005  -0.022 -0.025 40  ALA BBB O    
2254 C CB   . ALA B 59  ? 0.322 0.373 0.377 0.008  -0.020 -0.023 40  ALA BBB CB   
2255 H H    . ALA B 59  ? 0.324 0.368 0.365 0.007  -0.015 -0.022 40  ALA BBB H    
2256 H HA   . ALA B 59  ? 0.328 0.374 0.371 0.012  -0.024 -0.021 40  ALA BBB HA   
2257 H HB1  . ALA B 59  ? 0.322 0.377 0.382 0.009  -0.023 -0.024 40  ALA BBB HB1  
2258 H HB2  . ALA B 59  ? 0.321 0.372 0.378 0.010  -0.018 -0.023 40  ALA BBB HB2  
2259 H HB3  . ALA B 59  ? 0.319 0.370 0.374 0.006  -0.018 -0.025 40  ALA BBB HB3  
2260 N N    . PRO B 60  ? 0.330 0.377 0.368 0.009  -0.030 -0.024 41  PRO BBB N    
2261 C CA   . PRO B 60  ? 0.370 0.417 0.405 0.007  -0.032 -0.027 41  PRO BBB CA   
2262 C C    . PRO B 60  ? 0.388 0.440 0.434 0.005  -0.034 -0.030 41  PRO BBB C    
2263 O O    . PRO B 60  ? 0.371 0.428 0.427 0.005  -0.034 -0.030 41  PRO BBB O    
2264 C CB   . PRO B 60  ? 0.359 0.405 0.387 0.010  -0.037 -0.027 41  PRO BBB CB   
2265 C CG   . PRO B 60  ? 0.370 0.419 0.401 0.014  -0.039 -0.024 41  PRO BBB CG   
2266 C CD   . PRO B 60  ? 0.361 0.408 0.396 0.013  -0.034 -0.022 41  PRO BBB CD   
2267 H HA   . PRO B 60  ? 0.361 0.406 0.392 0.006  -0.030 -0.027 41  PRO BBB HA   
2268 H HB2  . PRO B 60  ? 0.368 0.416 0.397 0.009  -0.041 -0.029 41  PRO BBB HB2  
2269 H HB3  . PRO B 60  ? 0.368 0.410 0.388 0.011  -0.036 -0.026 41  PRO BBB HB3  
2270 H HG2  . PRO B 60  ? 0.368 0.420 0.405 0.014  -0.043 -0.025 41  PRO BBB HG2  
2271 H HG3  . PRO B 60  ? 0.373 0.418 0.396 0.016  -0.041 -0.022 41  PRO BBB HG3  
2272 H HD2  . PRO B 60  ? 0.354 0.405 0.397 0.014  -0.034 -0.022 41  PRO BBB HD2  
2273 H HD3  . PRO B 60  ? 0.357 0.401 0.388 0.015  -0.032 -0.020 41  PRO BBB HD3  
2274 N N    . ASN B 61  ? 0.461 0.512 0.506 0.002  -0.034 -0.032 42  ASN BBB N    
2275 C CA   . ASN B 61  ? 0.502 0.558 0.558 -0.001 -0.035 -0.035 42  ASN BBB CA   
2276 C C    . ASN B 61  ? 0.526 0.585 0.583 0.001  -0.042 -0.038 42  ASN BBB C    
2277 O O    . ASN B 61  ? 0.579 0.635 0.626 0.003  -0.045 -0.037 42  ASN BBB O    
2278 C CB   . ASN B 61  ? 0.450 0.503 0.505 -0.004 -0.031 -0.036 42  ASN BBB CB   
2279 C CG   . ASN B 61  ? 0.453 0.502 0.500 -0.004 -0.032 -0.038 42  ASN BBB CG   
2280 O OD1  . ASN B 61  ? 0.454 0.502 0.495 -0.002 -0.037 -0.039 42  ASN BBB OD1  
2281 N ND2  . ASN B 61  ? 0.454 0.500 0.500 -0.006 -0.029 -0.038 42  ASN BBB ND2  
2282 H H    . ASN B 61  ? 0.452 0.500 0.491 0.002  -0.033 -0.032 42  ASN BBB H    
2283 H HA   . ASN B 61  ? 0.484 0.543 0.547 -0.001 -0.033 -0.035 42  ASN BBB HA   
2284 H HB2  . ASN B 61  ? 0.459 0.515 0.522 -0.005 -0.030 -0.037 42  ASN BBB HB2  
2285 H HB3  . ASN B 61  ? 0.458 0.509 0.510 -0.004 -0.027 -0.034 42  ASN BBB HB3  
2286 H HD21 . ASN B 61  ? 0.456 0.500 0.498 -0.007 -0.030 -0.039 42  ASN BBB HD21 
2287 H HD22 . ASN B 61  ? 0.449 0.497 0.500 -0.008 -0.026 -0.037 42  ASN BBB HD22 
2288 N N    . SER B 62  ? 0.561 0.624 0.628 -0.002 -0.044 -0.041 43  SER BBB N    
2289 C CA   . SER B 62  ? 0.578 0.644 0.647 -0.002 -0.050 -0.045 43  SER BBB CA   
2290 C C    . SER B 62  ? 0.545 0.607 0.601 -0.001 -0.054 -0.047 43  SER BBB C    
2291 O O    . SER B 62  ? 0.592 0.656 0.647 0.000  -0.060 -0.049 43  SER BBB O    
2292 C CB   . SER B 62  ? 0.645 0.715 0.728 -0.006 -0.050 -0.049 43  SER BBB CB   
2293 O OG   . SER B 62  ? 0.623 0.687 0.702 -0.009 -0.045 -0.050 43  SER BBB OG   
2294 H H    . SER B 62  ? 0.551 0.616 0.626 -0.003 -0.041 -0.041 43  SER BBB H    
2295 H HA   . SER B 62  ? 0.582 0.651 0.654 -0.000 -0.054 -0.045 43  SER BBB HA   
2296 H HB2  . SER B 62  ? 0.627 0.700 0.712 -0.006 -0.055 -0.052 43  SER BBB HB2  
2297 H HB3  . SER B 62  ? 0.619 0.692 0.710 -0.007 -0.048 -0.048 43  SER BBB HB3  
2299 N N    . TYR B 63  ? 0.526 0.581 0.573 -0.002 -0.049 -0.046 44  TYR BBB N    
2300 C CA   . TYR B 63  ? 0.504 0.554 0.538 -0.001 -0.052 -0.047 44  TYR BBB CA   
2301 C C    . TYR B 63  ? 0.505 0.551 0.527 0.003  -0.051 -0.043 44  TYR BBB C    
2302 O O    . TYR B 63  ? 0.559 0.602 0.570 0.004  -0.052 -0.044 44  TYR BBB O    
2303 C CB   . TYR B 63  ? 0.499 0.545 0.532 -0.004 -0.048 -0.050 44  TYR BBB CB   
2304 C CG   . TYR B 63  ? 0.487 0.536 0.530 -0.007 -0.050 -0.055 44  TYR BBB CG   
2305 C CD1  . TYR B 63  ? 0.516 0.568 0.573 -0.010 -0.047 -0.055 44  TYR BBB CD1  
2306 C CD2  . TYR B 63  ? 0.531 0.580 0.570 -0.008 -0.056 -0.060 44  TYR BBB CD2  
2307 C CE1  . TYR B 63  ? 0.527 0.582 0.595 -0.013 -0.049 -0.060 44  TYR BBB CE1  
2308 C CE2  . TYR B 63  ? 0.504 0.557 0.555 -0.011 -0.058 -0.065 44  TYR BBB CE2  
2309 C CZ   . TYR B 63  ? 0.504 0.560 0.570 -0.014 -0.055 -0.065 44  TYR BBB CZ   
2310 O OH   . TYR B 63  ? 0.503 0.562 0.582 -0.017 -0.057 -0.070 44  TYR BBB OH   
2311 H H    . TYR B 63  ? 0.519 0.572 0.567 -0.003 -0.045 -0.044 44  TYR BBB H    
2312 H HA   . TYR B 63  ? 0.513 0.566 0.549 -0.001 -0.057 -0.050 44  TYR BBB HA   
2313 H HB2  . TYR B 63  ? 0.492 0.536 0.526 -0.005 -0.043 -0.047 44  TYR BBB HB2  
2314 H HB3  . TYR B 63  ? 0.502 0.544 0.525 -0.003 -0.048 -0.050 44  TYR BBB HB3  
2315 H HD1  . TYR B 63  ? 0.504 0.556 0.562 -0.010 -0.044 -0.052 44  TYR BBB HD1  
2316 H HD2  . TYR B 63  ? 0.521 0.568 0.551 -0.006 -0.058 -0.060 44  TYR BBB HD2  
2317 H HE1  . TYR B 63  ? 0.512 0.569 0.589 -0.015 -0.047 -0.059 44  TYR BBB HE1  
2318 H HE2  . TYR B 63  ? 0.520 0.572 0.568 -0.011 -0.062 -0.069 44  TYR BBB HE2  
2320 N N    . GLY B 64  ? 0.499 0.548 0.525 0.005  -0.050 -0.040 45  GLY BBB N    
2321 C CA   . GLY B 64  ? 0.490 0.535 0.507 0.009  -0.049 -0.035 45  GLY BBB CA   
2322 C C    . GLY B 64  ? 0.452 0.492 0.463 0.008  -0.042 -0.033 45  GLY BBB C    
2323 O O    . GLY B 64  ? 0.455 0.490 0.455 0.010  -0.041 -0.030 45  GLY BBB O    
2324 H H    . GLY B 64  ? 0.493 0.545 0.527 0.004  -0.050 -0.040 45  GLY BBB H    
2325 H HA2  . GLY B 64  ? 0.481 0.530 0.503 0.010  -0.049 -0.033 45  GLY BBB HA2  
2326 H HA3  . GLY B 64  ? 0.491 0.536 0.501 0.010  -0.052 -0.035 45  GLY BBB HA3  
2327 N N    . ARG B 65  ? 0.410 0.450 0.428 0.004  -0.038 -0.034 46  ARG BBB N    
2328 C CA   . ARG B 65  ? 0.367 0.402 0.380 0.003  -0.032 -0.032 46  ARG BBB CA   
2329 C C    . ARG B 65  ? 0.333 0.371 0.352 0.003  -0.028 -0.030 46  ARG BBB C    
2330 O O    . ARG B 65  ? 0.319 0.360 0.347 0.001  -0.028 -0.030 46  ARG BBB O    
2331 C CB   . ARG B 65  ? 0.374 0.408 0.388 0.000  -0.031 -0.035 46  ARG BBB CB   
2332 C CG   . ARG B 65  ? 0.388 0.420 0.396 0.001  -0.034 -0.038 46  ARG BBB CG   
2333 C CD   . ARG B 65  ? 0.387 0.416 0.397 -0.002 -0.032 -0.040 46  ARG BBB CD   
2334 N NE   . ARG B 65  ? 0.406 0.432 0.411 -0.003 -0.035 -0.044 46  ARG BBB NE   
2335 C CZ   . ARG B 65  ? 0.396 0.424 0.407 -0.005 -0.036 -0.048 46  ARG BBB CZ   
2336 N NH1  . ARG B 65  ? 0.404 0.436 0.427 -0.008 -0.035 -0.048 46  ARG BBB NH1  
2337 N NH2  . ARG B 65  ? 0.443 0.468 0.448 -0.006 -0.038 -0.052 46  ARG BBB NH2  
2338 H H    . ARG B 65  ? 0.406 0.449 0.431 0.003  -0.039 -0.035 46  ARG BBB H    
2339 H HA   . ARG B 65  ? 0.374 0.406 0.379 0.005  -0.032 -0.031 46  ARG BBB HA   
2340 H HB2  . ARG B 65  ? 0.371 0.408 0.393 -0.001 -0.032 -0.036 46  ARG BBB HB2  
2341 H HB3  . ARG B 65  ? 0.370 0.402 0.383 -0.000 -0.027 -0.033 46  ARG BBB HB3  
2342 H HG2  . ARG B 65  ? 0.390 0.418 0.389 0.002  -0.033 -0.036 46  ARG BBB HG2  
2343 H HG3  . ARG B 65  ? 0.390 0.424 0.399 0.001  -0.038 -0.039 46  ARG BBB HG3  
2344 H HD2  . ARG B 65  ? 0.386 0.418 0.405 -0.004 -0.032 -0.041 46  ARG BBB HD2  
2345 H HD3  . ARG B 65  ? 0.387 0.414 0.395 -0.003 -0.028 -0.038 46  ARG BBB HD3  
2346 H HE   . ARG B 65  ? 0.405 0.429 0.403 -0.001 -0.035 -0.044 46  ARG BBB HE   
2347 H HH11 . ARG B 65  ? 0.395 0.429 0.422 -0.008 -0.033 -0.046 46  ARG BBB HH11 
2348 H HH12 . ARG B 65  ? 0.402 0.434 0.430 -0.010 -0.036 -0.051 46  ARG BBB HH12 
2349 H HH21 . ARG B 65  ? 0.433 0.456 0.431 -0.004 -0.039 -0.052 46  ARG BBB HH21 
2350 H HH22 . ARG B 65  ? 0.430 0.456 0.441 -0.008 -0.040 -0.055 46  ARG BBB HH22 
2351 N N    . ARG B 66  ? 0.323 0.357 0.336 0.004  -0.025 -0.027 47  ARG BBB N    
2352 C CA   . ARG B 66  ? 0.309 0.344 0.326 0.004  -0.021 -0.025 47  ARG BBB CA   
2353 C C    . ARG B 66  ? 0.254 0.289 0.273 0.001  -0.017 -0.025 47  ARG BBB C    
2354 O O    . ARG B 66  ? 0.224 0.257 0.240 0.000  -0.017 -0.026 47  ARG BBB O    
2355 C CB   . ARG B 66  ? 0.335 0.367 0.346 0.006  -0.019 -0.022 47  ARG BBB CB   
2356 C CG   . ARG B 66  ? 0.404 0.436 0.416 0.009  -0.023 -0.021 47  ARG BBB CG   
2357 C CD   . ARG B 66  ? 0.487 0.515 0.491 0.012  -0.021 -0.018 47  ARG BBB CD   
2358 N NE   . ARG B 66  ? 0.568 0.598 0.574 0.015  -0.025 -0.017 47  ARG BBB NE   
2359 C CZ   . ARG B 66  ? 0.604 0.633 0.604 0.017  -0.029 -0.017 47  ARG BBB CZ   
2360 N NH1  . ARG B 66  ? 0.693 0.719 0.684 0.017  -0.031 -0.018 47  ARG BBB NH1  
2361 N NH2  . ARG B 66  ? 0.601 0.633 0.604 0.020  -0.032 -0.015 47  ARG BBB NH2  
2362 H H    . ARG B 66  ? 0.327 0.358 0.334 0.005  -0.025 -0.026 47  ARG BBB H    
2363 H HA   . ARG B 66  ? 0.303 0.341 0.326 0.004  -0.022 -0.025 47  ARG BBB HA   
2364 H HB2  . ARG B 66  ? 0.346 0.374 0.351 0.007  -0.019 -0.022 47  ARG BBB HB2  
2365 H HB3  . ARG B 66  ? 0.339 0.371 0.353 0.006  -0.017 -0.022 47  ARG BBB HB3  
2366 H HG2  . ARG B 66  ? 0.401 0.436 0.419 0.009  -0.022 -0.021 47  ARG BBB HG2  
2367 H HG3  . ARG B 66  ? 0.407 0.440 0.418 0.009  -0.026 -0.022 47  ARG BBB HG3  
2368 H HD2  . ARG B 66  ? 0.488 0.513 0.486 0.012  -0.022 -0.018 47  ARG BBB HD2  
2369 H HD3  . ARG B 66  ? 0.481 0.508 0.486 0.012  -0.018 -0.017 47  ARG BBB HD3  
2370 H HE   . ARG B 66  ? 0.557 0.588 0.567 0.015  -0.024 -0.016 47  ARG BBB HE   
2371 H HH11 . ARG B 66  ? 0.655 0.680 0.646 0.015  -0.029 -0.019 47  ARG BBB HH11 
2372 H HH12 . ARG B 66  ? 0.664 0.690 0.651 0.019  -0.034 -0.018 47  ARG BBB HH12 
2373 H HH21 . ARG B 66  ? 0.601 0.633 0.609 0.021  -0.031 -0.014 47  ARG BBB HH21 
2374 H HH22 . ARG B 66  ? 0.609 0.641 0.608 0.022  -0.035 -0.015 47  ARG BBB HH22 
2375 N N    . PRO B 67  ? 0.234 0.272 0.258 -0.000 -0.015 -0.025 48  PRO BBB N    
2376 C CA   . PRO B 67  ? 0.221 0.259 0.246 -0.002 -0.011 -0.024 48  PRO BBB CA   
2377 C C    . PRO B 67  ? 0.212 0.247 0.231 -0.002 -0.010 -0.023 48  PRO BBB C    
2378 O O    . PRO B 67  ? 0.192 0.226 0.210 -0.003 -0.008 -0.023 48  PRO BBB O    
2379 C CB   . PRO B 67  ? 0.216 0.257 0.245 -0.002 -0.009 -0.024 48  PRO BBB CB   
2380 C CG   . PRO B 67  ? 0.231 0.274 0.265 -0.001 -0.011 -0.025 48  PRO BBB CG   
2381 C CD   . PRO B 67  ? 0.231 0.272 0.261 0.001  -0.014 -0.024 48  PRO BBB CD   
2382 H HA   . PRO B 67  ? 0.220 0.259 0.248 -0.003 -0.011 -0.025 48  PRO BBB HA   
2383 H HB2  . PRO B 67  ? 0.220 0.259 0.245 -0.002 -0.008 -0.023 48  PRO BBB HB2  
2384 H HB3  . PRO B 67  ? 0.218 0.260 0.248 -0.004 -0.007 -0.024 48  PRO BBB HB3  
2385 H HG2  . PRO B 67  ? 0.226 0.270 0.261 -0.001 -0.010 -0.024 48  PRO BBB HG2  
2386 H HG3  . PRO B 67  ? 0.226 0.272 0.265 -0.002 -0.011 -0.026 48  PRO BBB HG3  
2387 H HD2  . PRO B 67  ? 0.234 0.273 0.261 0.002  -0.014 -0.023 48  PRO BBB HD2  
2388 H HD3  . PRO B 67  ? 0.234 0.277 0.267 0.001  -0.017 -0.025 48  PRO BBB HD3  
2389 N N    . ILE B 68  ? 0.216 0.248 0.230 -0.000 -0.009 -0.022 49  ILE BBB N    
2390 C CA   . ILE B 68  ? 0.222 0.250 0.231 0.000  -0.007 -0.021 49  ILE BBB CA   
2391 C C    . ILE B 68  ? 0.212 0.237 0.216 0.000  -0.008 -0.021 49  ILE BBB C    
2392 O O    . ILE B 68  ? 0.208 0.231 0.210 -0.000 -0.006 -0.021 49  ILE BBB O    
2393 C CB   . ILE B 68  ? 0.237 0.262 0.242 0.002  -0.006 -0.019 49  ILE BBB CB   
2394 C CG1  . ILE B 68  ? 0.267 0.290 0.270 0.002  -0.003 -0.018 49  ILE BBB CG1  
2395 C CG2  . ILE B 68  ? 0.236 0.259 0.236 0.004  -0.008 -0.019 49  ILE BBB CG2  
2396 C CD1  . ILE B 68  ? 0.270 0.297 0.277 0.000  -0.001 -0.018 49  ILE BBB CD1  
2397 H H    . ILE B 68  ? 0.218 0.249 0.232 0.001  -0.010 -0.022 49  ILE BBB H    
2398 H HA   . ILE B 68  ? 0.218 0.248 0.228 -0.001 -0.005 -0.020 49  ILE BBB HA   
2399 H HB   . ILE B 68  ? 0.237 0.264 0.245 0.002  -0.005 -0.019 49  ILE BBB HB   
2400 H HG12 . ILE B 68  ? 0.264 0.284 0.263 0.003  -0.002 -0.017 49  ILE BBB HG12 
2401 H HG13 . ILE B 68  ? 0.261 0.284 0.263 0.001  -0.003 -0.018 49  ILE BBB HG13 
2402 H HG21 . ILE B 68  ? 0.239 0.263 0.241 0.004  -0.010 -0.020 49  ILE BBB HG21 
2403 H HG22 . ILE B 68  ? 0.240 0.261 0.239 0.006  -0.007 -0.018 49  ILE BBB HG22 
2404 H HG23 . ILE B 68  ? 0.241 0.261 0.237 0.005  -0.008 -0.019 49  ILE BBB HG23 
2405 H HD11 . ILE B 68  ? 0.265 0.295 0.275 -0.001 -0.001 -0.018 49  ILE BBB HD11 
2406 H HD12 . ILE B 68  ? 0.268 0.293 0.273 0.000  0.001  -0.017 49  ILE BBB HD12 
2407 H HD13 . ILE B 68  ? 0.267 0.295 0.276 0.001  -0.001 -0.018 49  ILE BBB HD13 
2408 N N    . GLN B 69  ? 0.208 0.233 0.212 0.001  -0.012 -0.023 50  GLN BBB N    
2409 C CA   . GLN B 69  ? 0.224 0.246 0.224 0.001  -0.013 -0.025 50  GLN BBB CA   
2410 C C    . GLN B 69  ? 0.231 0.254 0.236 -0.002 -0.013 -0.026 50  GLN BBB C    
2411 O O    . GLN B 69  ? 0.247 0.267 0.250 -0.002 -0.012 -0.027 50  GLN BBB O    
2412 C CB   . GLN B 69  ? 0.250 0.272 0.247 0.002  -0.018 -0.026 50  GLN BBB CB   
2413 C CG   . GLN B 69  ? 0.271 0.290 0.262 0.005  -0.018 -0.024 50  GLN BBB CG   
2414 C CD   . GLN B 69  ? 0.296 0.316 0.284 0.007  -0.023 -0.025 50  GLN BBB CD   
2415 O OE1  . GLN B 69  ? 0.329 0.353 0.322 0.008  -0.025 -0.025 50  GLN BBB OE1  
2416 N NE2  . GLN B 69  ? 0.318 0.335 0.298 0.008  -0.024 -0.026 50  GLN BBB NE2  
2417 H H    . GLN B 69  ? 0.213 0.239 0.219 0.001  -0.013 -0.023 50  GLN BBB H    
2418 H HA   . GLN B 69  ? 0.229 0.248 0.225 0.001  -0.012 -0.024 50  GLN BBB HA   
2419 H HB2  . GLN B 69  ? 0.248 0.273 0.249 0.002  -0.019 -0.027 50  GLN BBB HB2  
2420 H HB3  . GLN B 69  ? 0.253 0.273 0.247 0.002  -0.018 -0.028 50  GLN BBB HB3  
2421 H HG2  . GLN B 69  ? 0.274 0.290 0.259 0.006  -0.016 -0.024 50  GLN BBB HG2  
2422 H HG3  . GLN B 69  ? 0.268 0.288 0.261 0.005  -0.016 -0.023 50  GLN BBB HG3  
2423 H HE21 . GLN B 69  ? 0.318 0.336 0.297 0.009  -0.028 -0.028 50  GLN BBB HE21 
2424 H HE22 . GLN B 69  ? 0.316 0.329 0.291 0.009  -0.022 -0.026 50  GLN BBB HE22 
2425 N N    . VAL B 70  ? 0.212 0.240 0.225 -0.003 -0.013 -0.027 51  VAL BBB N    
2426 C CA   . VAL B 70  ? 0.208 0.237 0.227 -0.006 -0.012 -0.028 51  VAL BBB CA   
2427 C C    . VAL B 70  ? 0.205 0.234 0.226 -0.007 -0.008 -0.025 51  VAL BBB C    
2428 O O    . VAL B 70  ? 0.215 0.244 0.240 -0.008 -0.007 -0.025 51  VAL BBB O    
2429 C CB   . VAL B 70  ? 0.225 0.258 0.252 -0.007 -0.015 -0.030 51  VAL BBB CB   
2430 C CG1  . VAL B 70  ? 0.247 0.280 0.272 -0.005 -0.020 -0.032 51  VAL BBB CG1  
2431 C CG2  . VAL B 70  ? 0.219 0.256 0.250 -0.007 -0.013 -0.028 51  VAL BBB CG2  
2432 H H    . VAL B 70  ? 0.213 0.243 0.228 -0.003 -0.013 -0.026 51  VAL BBB H    
2433 H HA   . VAL B 70  ? 0.216 0.242 0.233 -0.006 -0.013 -0.029 51  VAL BBB HA   
2434 H HB   . VAL B 70  ? 0.225 0.258 0.255 -0.008 -0.014 -0.031 51  VAL BBB HB   
2435 H HG11 . VAL B 70  ? 0.245 0.276 0.266 -0.005 -0.020 -0.033 51  VAL BBB HG11 
2436 H HG12 . VAL B 70  ? 0.241 0.278 0.272 -0.006 -0.021 -0.034 51  VAL BBB HG12 
2437 H HG13 . VAL B 70  ? 0.242 0.275 0.263 -0.004 -0.020 -0.031 51  VAL BBB HG13 
2438 H HG21 . VAL B 70  ? 0.219 0.255 0.246 -0.005 -0.013 -0.027 51  VAL BBB HG21 
2439 H HG22 . VAL B 70  ? 0.219 0.259 0.255 -0.007 -0.014 -0.029 51  VAL BBB HG22 
2440 H HG23 . VAL B 70  ? 0.217 0.254 0.249 -0.008 -0.010 -0.027 51  VAL BBB HG23 
2441 N N    A MET B 71  ? 0.202 0.232 0.220 -0.006 -0.007 -0.023 52  MET BBB N    
2442 N N    B MET B 71  ? 0.214 0.244 0.232 -0.006 -0.007 -0.023 52  MET BBB N    
2443 C CA   A MET B 71  ? 0.190 0.222 0.210 -0.006 -0.004 -0.021 52  MET BBB CA   
2444 C CA   B MET B 71  ? 0.210 0.242 0.230 -0.006 -0.004 -0.021 52  MET BBB CA   
2445 C C    A MET B 71  ? 0.203 0.232 0.222 -0.007 -0.002 -0.019 52  MET BBB C    
2446 C C    B MET B 71  ? 0.214 0.243 0.233 -0.007 -0.002 -0.019 52  MET BBB C    
2447 O O    A MET B 71  ? 0.206 0.231 0.222 -0.006 -0.002 -0.020 52  MET BBB O    
2448 O O    B MET B 71  ? 0.216 0.241 0.232 -0.006 -0.002 -0.020 52  MET BBB O    
2449 C CB   A MET B 71  ? 0.186 0.218 0.202 -0.005 -0.003 -0.019 52  MET BBB CB   
2450 C CB   B MET B 71  ? 0.222 0.254 0.238 -0.005 -0.003 -0.019 52  MET BBB CB   
2451 C CG   A MET B 71  ? 0.181 0.210 0.192 -0.004 -0.002 -0.019 52  MET BBB CG   
2452 C CG   B MET B 71  ? 0.229 0.258 0.241 -0.004 -0.003 -0.019 52  MET BBB CG   
2453 S SD   A MET B 71  ? 0.175 0.205 0.185 -0.003 -0.001 -0.018 52  MET BBB SD   
2454 S SD   B MET B 71  ? 0.246 0.277 0.257 -0.004 -0.001 -0.017 52  MET BBB SD   
2455 C CE   A MET B 71  ? 0.160 0.186 0.165 -0.002 -0.000 -0.017 52  MET BBB CE   
2456 C CE   B MET B 71  ? 0.242 0.276 0.255 -0.005 0.001  -0.015 52  MET BBB CE   
2457 H H    A MET B 71  ? 0.200 0.230 0.216 -0.005 -0.007 -0.023 52  MET BBB H    
2458 H H    B MET B 71  ? 0.211 0.241 0.227 -0.005 -0.007 -0.023 52  MET BBB H    
2459 H HA   A MET B 71  ? 0.192 0.226 0.216 -0.007 -0.003 -0.021 52  MET BBB HA   
2460 H HA   B MET B 71  ? 0.212 0.246 0.235 -0.007 -0.003 -0.021 52  MET BBB HA   
2461 H HB2  A MET B 71  ? 0.183 0.218 0.201 -0.006 -0.001 -0.018 52  MET BBB HB2  
2462 H HB2  B MET B 71  ? 0.218 0.252 0.236 -0.006 -0.001 -0.018 52  MET BBB HB2  
2463 H HB3  A MET B 71  ? 0.184 0.218 0.201 -0.005 -0.003 -0.020 52  MET BBB HB3  
2464 H HB3  B MET B 71  ? 0.219 0.253 0.236 -0.005 -0.003 -0.020 52  MET BBB HB3  
2465 H HG2  A MET B 71  ? 0.184 0.211 0.194 -0.003 -0.004 -0.020 52  MET BBB HG2  
2466 H HG2  B MET B 71  ? 0.234 0.262 0.244 -0.003 -0.004 -0.020 52  MET BBB HG2  
2467 H HG3  A MET B 71  ? 0.182 0.210 0.193 -0.004 -0.001 -0.018 52  MET BBB HG3  
2468 H HG3  B MET B 71  ? 0.234 0.261 0.245 -0.004 -0.002 -0.019 52  MET BBB HG3  
2469 H HE1  A MET B 71  ? 0.165 0.191 0.170 -0.001 0.001  -0.016 52  MET BBB HE1  
2470 H HE1  B MET B 71  ? 0.241 0.277 0.254 -0.005 0.002  -0.015 52  MET BBB HE1  
2471 H HE2  A MET B 71  ? 0.168 0.191 0.171 -0.001 -0.001 -0.018 52  MET BBB HE2  
2472 H HE2  B MET B 71  ? 0.245 0.276 0.257 -0.005 0.002  -0.015 52  MET BBB HE2  
2473 H HE3  A MET B 71  ? 0.166 0.191 0.171 -0.002 0.001  -0.016 52  MET BBB HE3  
2474 H HE3  B MET B 71  ? 0.243 0.278 0.258 -0.006 0.001  -0.016 52  MET BBB HE3  
2475 N N    . MET B 72  ? 0.215 0.246 0.238 -0.008 0.001  -0.017 53  MET BBB N    
2476 C CA   . MET B 72  ? 0.245 0.274 0.267 -0.008 0.003  -0.015 53  MET BBB CA   
2477 C C    . MET B 72  ? 0.244 0.273 0.262 -0.006 0.003  -0.014 53  MET BBB C    
2478 O O    . MET B 72  ? 0.244 0.276 0.261 -0.006 0.003  -0.012 53  MET BBB O    
2479 C CB   . MET B 72  ? 0.283 0.315 0.308 -0.009 0.005  -0.012 53  MET BBB CB   
2480 C CG   . MET B 72  ? 0.363 0.394 0.389 -0.008 0.008  -0.009 53  MET BBB CG   
2481 S SD   . MET B 72  ? 0.442 0.476 0.470 -0.009 0.010  -0.006 53  MET BBB SD   
2482 C CE   . MET B 72  ? 0.560 0.591 0.590 -0.008 0.013  -0.002 53  MET BBB CE   
2483 H H    . MET B 72  ? 0.216 0.249 0.240 -0.008 0.001  -0.017 53  MET BBB H    
2484 H HA   . MET B 72  ? 0.248 0.275 0.272 -0.008 0.003  -0.016 53  MET BBB HA   
2485 H HB2  . MET B 72  ? 0.289 0.323 0.318 -0.010 0.005  -0.013 53  MET BBB HB2  
2486 H HB3  . MET B 72  ? 0.287 0.323 0.311 -0.008 0.005  -0.012 53  MET BBB HB3  
2487 H HG2  . MET B 72  ? 0.358 0.389 0.380 -0.007 0.007  -0.008 53  MET BBB HG2  
2488 H HG3  . MET B 72  ? 0.361 0.389 0.388 -0.008 0.008  -0.010 53  MET BBB HG3  
2489 H HE1  . MET B 72  ? 0.524 0.555 0.554 -0.008 0.015  0.001  53  MET BBB HE1  
2490 H HE2  . MET B 72  ? 0.521 0.552 0.549 -0.006 0.012  -0.001 53  MET BBB HE2  
2491 H HE3  . MET B 72  ? 0.523 0.550 0.555 -0.008 0.013  -0.004 53  MET BBB HE3  
2492 N N    . MET B 73  ? 0.251 0.275 0.267 -0.006 0.003  -0.014 54  MET BBB N    
2493 C CA   . MET B 73  ? 0.258 0.281 0.271 -0.004 0.004  -0.013 54  MET BBB CA   
2494 C C    . MET B 73  ? 0.256 0.281 0.270 -0.004 0.006  -0.010 54  MET BBB C    
2495 O O    . MET B 73  ? 0.274 0.300 0.287 -0.003 0.006  -0.009 54  MET BBB O    
2496 C CB   . MET B 73  ? 0.282 0.299 0.292 -0.003 0.004  -0.015 54  MET BBB CB   
2497 C CG   . MET B 73  ? 0.279 0.294 0.285 -0.003 0.002  -0.018 54  MET BBB CG   
2498 S SD   . MET B 73  ? 0.304 0.321 0.306 -0.002 0.001  -0.017 54  MET BBB SD   
2499 C CE   . MET B 73  ? 0.261 0.278 0.261 -0.002 -0.002 -0.020 54  MET BBB CE   
2500 H H    . MET B 73  ? 0.254 0.276 0.271 -0.006 0.003  -0.015 54  MET BBB H    
2501 H HA   . MET B 73  ? 0.259 0.283 0.270 -0.004 0.003  -0.014 54  MET BBB HA   
2502 H HB2  . MET B 73  ? 0.278 0.294 0.290 -0.004 0.005  -0.015 54  MET BBB HB2  
2503 H HB3  . MET B 73  ? 0.276 0.292 0.285 -0.003 0.006  -0.014 54  MET BBB HB3  
2504 H HG2  . MET B 73  ? 0.286 0.303 0.294 -0.004 0.001  -0.019 54  MET BBB HG2  
2505 H HG3  . MET B 73  ? 0.290 0.302 0.293 -0.003 0.003  -0.019 54  MET BBB HG3  
2506 H HE1  . MET B 73  ? 0.274 0.291 0.272 -0.001 -0.003 -0.020 54  MET BBB HE1  
2507 H HE2  . MET B 73  ? 0.273 0.292 0.276 -0.003 -0.003 -0.021 54  MET BBB HE2  
2508 H HE3  . MET B 73  ? 0.278 0.292 0.275 -0.001 -0.003 -0.022 54  MET BBB HE3  
2509 N N    . GLY B 74  ? 0.241 0.267 0.258 -0.004 0.007  -0.008 55  GLY BBB N    
2510 C CA   . GLY B 74  ? 0.259 0.289 0.278 -0.004 0.008  -0.004 55  GLY BBB CA   
2511 C C    . GLY B 74  ? 0.256 0.291 0.274 -0.004 0.007  -0.004 55  GLY BBB C    
2512 O O    . GLY B 74  ? 0.300 0.338 0.317 -0.003 0.007  -0.001 55  GLY BBB O    
2513 H H    . GLY B 74  ? 0.250 0.275 0.269 -0.005 0.007  -0.009 55  GLY BBB H    
2514 H HA2  . GLY B 74  ? 0.255 0.284 0.274 -0.002 0.009  -0.003 55  GLY BBB HA2  
2515 H HA3  . GLY B 74  ? 0.256 0.285 0.277 -0.004 0.009  -0.003 55  GLY BBB HA3  
2516 N N    . SER B 75  ? 0.235 0.272 0.251 -0.005 0.006  -0.006 56  SER BBB N    
2517 C CA   . SER B 75  ? 0.236 0.278 0.252 -0.005 0.005  -0.007 56  SER BBB CA   
2518 C C    . SER B 75  ? 0.218 0.260 0.232 -0.005 0.004  -0.009 56  SER BBB C    
2519 O O    . SER B 75  ? 0.206 0.247 0.220 -0.005 0.003  -0.011 56  SER BBB O    
2520 C CB   . SER B 75  ? 0.240 0.283 0.256 -0.006 0.005  -0.008 56  SER BBB CB   
2521 O OG   . SER B 75  ? 0.253 0.300 0.267 -0.007 0.005  -0.009 56  SER BBB OG   
2522 H H    . SER B 75  ? 0.240 0.275 0.257 -0.005 0.005  -0.008 56  SER BBB H    
2523 H HA   . SER B 75  ? 0.234 0.278 0.249 -0.005 0.005  -0.005 56  SER BBB HA   
2524 H HB2  . SER B 75  ? 0.244 0.286 0.261 -0.007 0.007  -0.006 56  SER BBB HB2  
2525 H HB3  . SER B 75  ? 0.242 0.283 0.259 -0.007 0.005  -0.010 56  SER BBB HB3  
2527 N N    . ALA B 76  ? 0.192 0.235 0.206 -0.004 0.004  -0.008 57  ALA BBB N    
2528 C CA   . ALA B 76  ? 0.187 0.231 0.201 -0.004 0.003  -0.010 57  ALA BBB CA   
2529 C C    . ALA B 76  ? 0.210 0.258 0.224 -0.005 0.003  -0.012 57  ALA BBB C    
2530 O O    . ALA B 76  ? 0.219 0.265 0.233 -0.005 0.003  -0.014 57  ALA BBB O    
2531 C CB   . ALA B 76  ? 0.197 0.243 0.213 -0.003 0.004  -0.008 57  ALA BBB CB   
2532 H H    . ALA B 76  ? 0.198 0.242 0.213 -0.004 0.004  -0.006 57  ALA BBB H    
2533 H HA   . ALA B 76  ? 0.194 0.235 0.208 -0.004 0.004  -0.011 57  ALA BBB HA   
2534 H HB1  . ALA B 76  ? 0.194 0.239 0.210 -0.003 0.004  -0.010 57  ALA BBB HB1  
2535 H HB2  . ALA B 76  ? 0.195 0.238 0.211 -0.003 0.004  -0.007 57  ALA BBB HB2  
2536 H HB3  . ALA B 76  ? 0.195 0.244 0.211 -0.003 0.003  -0.007 57  ALA BBB HB3  
2537 N N    . ARG B 77  ? 0.227 0.279 0.240 -0.006 0.003  -0.011 58  ARG BBB N    
2538 C CA   . ARG B 77  ? 0.231 0.286 0.244 -0.007 0.003  -0.014 58  ARG BBB CA   
2539 C C    . ARG B 77  ? 0.204 0.256 0.218 -0.007 0.003  -0.016 58  ARG BBB C    
2540 O O    . ARG B 77  ? 0.210 0.263 0.225 -0.008 0.003  -0.018 58  ARG BBB O    
2541 C CB   . ARG B 77  ? 0.279 0.337 0.289 -0.007 0.003  -0.012 58  ARG BBB CB   
2542 C CG   . ARG B 77  ? 0.335 0.399 0.343 -0.008 0.002  -0.013 58  ARG BBB CG   
2543 C CD   . ARG B 77  ? 0.288 0.356 0.293 -0.007 0.003  -0.010 58  ARG BBB CD   
2544 N NE   . ARG B 77  ? 0.282 0.353 0.284 -0.008 0.003  -0.014 58  ARG BBB NE   
2545 C CZ   . ARG B 77  ? 0.269 0.342 0.268 -0.009 0.005  -0.013 58  ARG BBB CZ   
2546 N NH1  . ARG B 77  ? 0.292 0.363 0.290 -0.008 0.006  -0.009 58  ARG BBB NH1  
2547 N NH2  . ARG B 77  ? 0.272 0.348 0.270 -0.010 0.005  -0.017 58  ARG BBB NH2  
2548 H H    . ARG B 77  ? 0.225 0.277 0.238 -0.006 0.003  -0.009 58  ARG BBB H    
2549 H HA   . ARG B 77  ? 0.233 0.289 0.246 -0.007 0.002  -0.015 58  ARG BBB HA   
2550 H HB2  . ARG B 77  ? 0.279 0.337 0.290 -0.007 0.003  -0.010 58  ARG BBB HB2  
2551 H HB3  . ARG B 77  ? 0.279 0.337 0.289 -0.008 0.004  -0.013 58  ARG BBB HB3  
2552 H HG2  . ARG B 77  ? 0.305 0.370 0.313 -0.008 0.002  -0.016 58  ARG BBB HG2  
2553 H HG3  . ARG B 77  ? 0.290 0.355 0.299 -0.007 0.001  -0.012 58  ARG BBB HG3  
2554 H HD2  . ARG B 77  ? 0.299 0.369 0.303 -0.007 0.002  -0.008 58  ARG BBB HD2  
2555 H HD3  . ARG B 77  ? 0.297 0.362 0.302 -0.007 0.004  -0.009 58  ARG BBB HD3  
2556 H HE   . ARG B 77  ? 0.279 0.351 0.282 -0.009 0.002  -0.016 58  ARG BBB HE   
2557 H HH11 . ARG B 77  ? 0.284 0.353 0.284 -0.007 0.006  -0.007 58  ARG BBB HH11 
2558 H HH12 . ARG B 77  ? 0.288 0.361 0.284 -0.008 0.008  -0.009 58  ARG BBB HH12 
2559 H HH21 . ARG B 77  ? 0.272 0.349 0.271 -0.010 0.004  -0.020 58  ARG BBB HH21 
2560 H HH22 . ARG B 77  ? 0.276 0.353 0.271 -0.010 0.007  -0.017 58  ARG BBB HH22 
2561 N N    . VAL B 78  ? 0.199 0.249 0.214 -0.007 0.003  -0.015 59  VAL BBB N    
2562 C CA   . VAL B 78  ? 0.191 0.238 0.207 -0.007 0.003  -0.017 59  VAL BBB CA   
2563 C C    . VAL B 78  ? 0.176 0.221 0.192 -0.006 0.002  -0.018 59  VAL BBB C    
2564 O O    . VAL B 78  ? 0.175 0.219 0.192 -0.006 0.002  -0.020 59  VAL BBB O    
2565 C CB   . VAL B 78  ? 0.198 0.243 0.216 -0.007 0.003  -0.016 59  VAL BBB CB   
2566 C CG1  . VAL B 78  ? 0.224 0.267 0.244 -0.007 0.002  -0.018 59  VAL BBB CG1  
2567 C CG2  . VAL B 78  ? 0.226 0.274 0.245 -0.008 0.005  -0.015 59  VAL BBB CG2  
2568 H H    . VAL B 78  ? 0.199 0.248 0.214 -0.007 0.004  -0.013 59  VAL BBB H    
2569 H HA   . VAL B 78  ? 0.191 0.240 0.208 -0.008 0.004  -0.018 59  VAL BBB HA   
2570 H HB   . VAL B 78  ? 0.207 0.250 0.224 -0.007 0.003  -0.015 59  VAL BBB HB   
2571 H HG11 . VAL B 78  ? 0.216 0.257 0.234 -0.006 0.001  -0.018 59  VAL BBB HG11 
2572 H HG12 . VAL B 78  ? 0.216 0.259 0.238 -0.008 0.001  -0.018 59  VAL BBB HG12 
2573 H HG13 . VAL B 78  ? 0.215 0.260 0.236 -0.007 0.002  -0.019 59  VAL BBB HG13 
2574 H HG21 . VAL B 78  ? 0.217 0.266 0.237 -0.009 0.005  -0.016 59  VAL BBB HG21 
2575 H HG22 . VAL B 78  ? 0.218 0.264 0.239 -0.009 0.005  -0.014 59  VAL BBB HG22 
2576 H HG23 . VAL B 78  ? 0.218 0.267 0.235 -0.008 0.005  -0.013 59  VAL BBB HG23 
2577 N N    . ALA B 79  ? 0.168 0.210 0.182 -0.006 0.002  -0.017 60  ALA BBB N    
2578 C CA   . ALA B 79  ? 0.185 0.223 0.198 -0.004 0.002  -0.017 60  ALA BBB CA   
2579 C C    . ALA B 79  ? 0.175 0.215 0.190 -0.005 0.003  -0.019 60  ALA BBB C    
2580 O O    . ALA B 79  ? 0.157 0.195 0.172 -0.004 0.003  -0.020 60  ALA BBB O    
2581 C CB   . ALA B 79  ? 0.185 0.220 0.196 -0.004 0.003  -0.016 60  ALA BBB CB   
2582 H H    . ALA B 79  ? 0.175 0.216 0.188 -0.005 0.002  -0.015 60  ALA BBB H    
2583 H HA   . ALA B 79  ? 0.181 0.217 0.194 -0.004 0.001  -0.018 60  ALA BBB HA   
2584 H HB1  . ALA B 79  ? 0.187 0.219 0.197 -0.003 0.003  -0.016 60  ALA BBB HB1  
2585 H HB2  . ALA B 79  ? 0.186 0.220 0.197 -0.004 0.002  -0.015 60  ALA BBB HB2  
2586 H HB3  . ALA B 79  ? 0.185 0.221 0.197 -0.004 0.003  -0.015 60  ALA BBB HB3  
2587 N N    . GLU B 80  ? 0.196 0.239 0.211 -0.006 0.003  -0.019 61  GLU BBB N    
2588 C CA   . GLU B 80  ? 0.221 0.266 0.238 -0.006 0.004  -0.021 61  GLU BBB CA   
2589 C C    . GLU B 80  ? 0.205 0.252 0.224 -0.007 0.004  -0.023 61  GLU BBB C    
2590 O O    . GLU B 80  ? 0.208 0.253 0.229 -0.007 0.005  -0.025 61  GLU BBB O    
2591 C CB   . GLU B 80  ? 0.263 0.313 0.281 -0.007 0.004  -0.021 61  GLU BBB CB   
2592 C CG   . GLU B 80  ? 0.313 0.362 0.333 -0.007 0.004  -0.020 61  GLU BBB CG   
2593 C CD   . GLU B 80  ? 0.375 0.430 0.396 -0.007 0.003  -0.020 61  GLU BBB CD   
2594 O OE1  . GLU B 80  ? 0.492 0.551 0.510 -0.008 0.001  -0.019 61  GLU BBB OE1  
2595 O OE2  . GLU B 80  ? 0.330 0.386 0.354 -0.007 0.003  -0.020 61  GLU BBB OE2  
2596 H H    . GLU B 80  ? 0.196 0.241 0.211 -0.006 0.003  -0.018 61  GLU BBB H    
2597 H HA   . GLU B 80  ? 0.221 0.263 0.239 -0.006 0.005  -0.021 61  GLU BBB HA   
2598 H HB2  . GLU B 80  ? 0.263 0.315 0.280 -0.007 0.003  -0.020 61  GLU BBB HB2  
2599 H HB3  . GLU B 80  ? 0.263 0.315 0.283 -0.008 0.004  -0.023 61  GLU BBB HB3  
2600 H HG2  . GLU B 80  ? 0.313 0.361 0.335 -0.007 0.005  -0.020 61  GLU BBB HG2  
2601 H HG3  . GLU B 80  ? 0.313 0.360 0.331 -0.006 0.004  -0.018 61  GLU BBB HG3  
2602 N N    . LEU B 81  ? 0.202 0.251 0.221 -0.008 0.004  -0.023 62  LEU BBB N    
2603 C CA   . LEU B 81  ? 0.203 0.253 0.223 -0.008 0.005  -0.025 62  LEU BBB CA   
2604 C C    . LEU B 81  ? 0.188 0.234 0.210 -0.007 0.005  -0.025 62  LEU BBB C    
2605 O O    . LEU B 81  ? 0.200 0.246 0.225 -0.007 0.006  -0.027 62  LEU BBB O    
2606 C CB   . LEU B 81  ? 0.246 0.299 0.265 -0.009 0.005  -0.025 62  LEU BBB CB   
2607 C CG   . LEU B 81  ? 0.285 0.341 0.305 -0.010 0.006  -0.027 62  LEU BBB CG   
2608 C CD1  . LEU B 81  ? 0.286 0.344 0.306 -0.011 0.007  -0.030 62  LEU BBB CD1  
2609 C CD2  . LEU B 81  ? 0.291 0.349 0.309 -0.010 0.007  -0.025 62  LEU BBB CD2  
2610 H H    . LEU B 81  ? 0.203 0.253 0.220 -0.008 0.004  -0.022 62  LEU BBB H    
2611 H HA   . LEU B 81  ? 0.208 0.260 0.229 -0.009 0.006  -0.027 62  LEU BBB HA   
2612 H HB2  . LEU B 81  ? 0.243 0.298 0.261 -0.009 0.005  -0.024 62  LEU BBB HB2  
2613 H HB3  . LEU B 81  ? 0.243 0.294 0.262 -0.008 0.004  -0.023 62  LEU BBB HB3  
2614 H HG   . LEU B 81  ? 0.278 0.332 0.301 -0.009 0.007  -0.027 62  LEU BBB HG   
2615 H HD11 . LEU B 81  ? 0.285 0.342 0.308 -0.010 0.008  -0.031 62  LEU BBB HD11 
2616 H HD12 . LEU B 81  ? 0.287 0.348 0.307 -0.011 0.008  -0.031 62  LEU BBB HD12 
2617 H HD13 . LEU B 81  ? 0.286 0.346 0.304 -0.011 0.007  -0.029 62  LEU BBB HD13 
2618 H HD21 . LEU B 81  ? 0.290 0.350 0.306 -0.010 0.007  -0.024 62  LEU BBB HD21 
2619 H HD22 . LEU B 81  ? 0.290 0.350 0.309 -0.011 0.008  -0.026 62  LEU BBB HD22 
2620 H HD23 . LEU B 81  ? 0.289 0.345 0.308 -0.010 0.007  -0.023 62  LEU BBB HD23 
2621 N N    . LEU B 82  ? 0.170 0.213 0.191 -0.006 0.003  -0.023 63  LEU BBB N    
2622 C CA   . LEU B 82  ? 0.178 0.218 0.200 -0.004 0.002  -0.023 63  LEU BBB CA   
2623 C C    . LEU B 82  ? 0.171 0.208 0.192 -0.003 0.003  -0.023 63  LEU BBB C    
2624 O O    . LEU B 82  ? 0.191 0.227 0.215 -0.002 0.004  -0.023 63  LEU BBB O    
2625 C CB   . LEU B 82  ? 0.185 0.223 0.204 -0.003 0.000  -0.021 63  LEU BBB CB   
2626 C CG   . LEU B 82  ? 0.199 0.240 0.220 -0.004 -0.001 -0.022 63  LEU BBB CG   
2627 C CD1  . LEU B 82  ? 0.196 0.234 0.215 -0.004 -0.002 -0.021 63  LEU BBB CD1  
2628 C CD2  . LEU B 82  ? 0.217 0.260 0.243 -0.004 -0.001 -0.023 63  LEU BBB CD2  
2629 H H    . LEU B 82  ? 0.175 0.219 0.195 -0.006 0.003  -0.022 63  LEU BBB H    
2630 H HA   . LEU B 82  ? 0.176 0.218 0.200 -0.004 0.002  -0.024 63  LEU BBB HA   
2631 H HB2  . LEU B 82  ? 0.187 0.224 0.204 -0.003 0.001  -0.021 63  LEU BBB HB2  
2632 H HB3  . LEU B 82  ? 0.188 0.225 0.207 -0.002 -0.001 -0.021 63  LEU BBB HB3  
2633 H HG   . LEU B 82  ? 0.197 0.240 0.219 -0.005 0.001  -0.022 63  LEU BBB HG   
2634 H HD11 . LEU B 82  ? 0.197 0.234 0.214 -0.004 -0.001 -0.020 63  LEU BBB HD11 
2635 H HD12 . LEU B 82  ? 0.197 0.236 0.218 -0.005 -0.003 -0.021 63  LEU BBB HD12 
2636 H HD13 . LEU B 82  ? 0.199 0.235 0.217 -0.003 -0.003 -0.021 63  LEU BBB HD13 
2637 H HD21 . LEU B 82  ? 0.213 0.253 0.239 -0.002 -0.002 -0.023 63  LEU BBB HD21 
2638 H HD22 . LEU B 82  ? 0.211 0.255 0.239 -0.004 -0.002 -0.023 63  LEU BBB HD22 
2639 H HD23 . LEU B 82  ? 0.211 0.255 0.238 -0.004 0.000  -0.024 63  LEU BBB HD23 
2640 N N    . LEU B 83  ? 0.190 0.226 0.210 -0.003 0.004  -0.022 64  LEU BBB N    
2641 C CA   . LEU B 83  ? 0.211 0.244 0.231 -0.002 0.006  -0.022 64  LEU BBB CA   
2642 C C    . LEU B 83  ? 0.221 0.256 0.246 -0.003 0.008  -0.024 64  LEU BBB C    
2643 O O    . LEU B 83  ? 0.206 0.238 0.233 -0.002 0.009  -0.024 64  LEU BBB O    
2644 C CB   . LEU B 83  ? 0.212 0.243 0.230 -0.002 0.006  -0.020 64  LEU BBB CB   
2645 C CG   . LEU B 83  ? 0.228 0.257 0.242 -0.001 0.005  -0.018 64  LEU BBB CG   
2646 C CD1  . LEU B 83  ? 0.227 0.256 0.239 -0.001 0.006  -0.017 64  LEU BBB CD1  
2647 C CD2  . LEU B 83  ? 0.251 0.275 0.262 0.002  0.006  -0.017 64  LEU BBB CD2  
2648 H H    . LEU B 83  ? 0.189 0.226 0.207 -0.004 0.004  -0.022 64  LEU BBB H    
2649 H HA   . LEU B 83  ? 0.211 0.241 0.230 -0.001 0.006  -0.021 64  LEU BBB HA   
2650 H HB2  . LEU B 83  ? 0.213 0.248 0.232 -0.003 0.006  -0.021 64  LEU BBB HB2  
2651 H HB3  . LEU B 83  ? 0.216 0.246 0.235 -0.002 0.008  -0.020 64  LEU BBB HB3  
2652 H HG   . LEU B 83  ? 0.228 0.258 0.240 -0.001 0.004  -0.019 64  LEU BBB HG   
2653 H HD11 . LEU B 83  ? 0.225 0.257 0.239 -0.002 0.005  -0.018 64  LEU BBB HD11 
2654 H HD12 . LEU B 83  ? 0.229 0.255 0.238 -0.000 0.006  -0.016 64  LEU BBB HD12 
2655 H HD13 . LEU B 83  ? 0.228 0.256 0.241 -0.001 0.008  -0.017 64  LEU BBB HD13 
2656 H HD21 . LEU B 83  ? 0.247 0.269 0.258 0.002  0.008  -0.016 64  LEU BBB HD21 
2657 H HD22 . LEU B 83  ? 0.247 0.269 0.254 0.002  0.005  -0.016 64  LEU BBB HD22 
2658 H HD23 . LEU B 83  ? 0.246 0.270 0.257 0.002  0.005  -0.017 64  LEU BBB HD23 
2659 N N    . LEU B 84  ? 0.228 0.267 0.254 -0.005 0.008  -0.026 65  LEU BBB N    
2660 C CA   . LEU B 84  ? 0.254 0.295 0.285 -0.007 0.010  -0.030 65  LEU BBB CA   
2661 C C    . LEU B 84  ? 0.260 0.300 0.293 -0.005 0.011  -0.030 65  LEU BBB C    
2662 O O    . LEU B 84  ? 0.251 0.289 0.289 -0.005 0.013  -0.032 65  LEU BBB O    
2663 C CB   . LEU B 84  ? 0.266 0.312 0.295 -0.009 0.009  -0.032 65  LEU BBB CB   
2664 C CG   . LEU B 84  ? 0.322 0.372 0.353 -0.010 0.010  -0.036 65  LEU BBB CG   
2665 C CD1  . LEU B 84  ? 0.304 0.353 0.339 -0.011 0.011  -0.036 65  LEU BBB CD1  
2666 C CD2  . LEU B 84  ? 0.362 0.418 0.390 -0.012 0.008  -0.036 65  LEU BBB CD2  
2667 H H    . LEU B 84  ? 0.230 0.272 0.255 -0.006 0.007  -0.026 65  LEU BBB H    
2668 H HA   . LEU B 84  ? 0.253 0.293 0.285 -0.007 0.011  -0.030 65  LEU BBB HA   
2669 H HB2  . LEU B 84  ? 0.274 0.321 0.301 -0.009 0.008  -0.030 65  LEU BBB HB2  
2670 H HB3  . LEU B 84  ? 0.274 0.322 0.303 -0.008 0.009  -0.032 65  LEU BBB HB3  
2671 H HG   . LEU B 84  ? 0.315 0.365 0.349 -0.011 0.011  -0.037 65  LEU BBB HG   
2672 H HD11 . LEU B 84  ? 0.310 0.355 0.348 -0.010 0.012  -0.036 65  LEU BBB HD11 
2673 H HD12 . LEU B 84  ? 0.311 0.362 0.347 -0.012 0.011  -0.039 65  LEU BBB HD12 
2674 H HD13 . LEU B 84  ? 0.309 0.357 0.343 -0.010 0.010  -0.034 65  LEU BBB HD13 
2675 H HD21 . LEU B 84  ? 0.348 0.403 0.374 -0.011 0.007  -0.034 65  LEU BBB HD21 
2676 H HD22 . LEU B 84  ? 0.351 0.409 0.379 -0.013 0.009  -0.039 65  LEU BBB HD22 
2677 H HD23 . LEU B 84  ? 0.349 0.405 0.376 -0.012 0.008  -0.036 65  LEU BBB HD23 
2678 N N    . HIS B 85  ? 0.237 0.277 0.269 -0.005 0.009  -0.029 66  HIS BBB N    
2679 C CA   . HIS B 85  ? 0.231 0.270 0.267 -0.003 0.009  -0.029 66  HIS BBB CA   
2680 C C    . HIS B 85  ? 0.227 0.262 0.263 -0.001 0.009  -0.026 66  HIS BBB C    
2681 O O    . HIS B 85  ? 0.256 0.291 0.295 0.001  0.008  -0.026 66  HIS BBB O    
2682 C CB   . HIS B 85  ? 0.238 0.281 0.274 -0.004 0.008  -0.030 66  HIS BBB CB   
2683 C CG   . HIS B 85  ? 0.241 0.288 0.278 -0.006 0.010  -0.033 66  HIS BBB CG   
2684 N ND1  . HIS B 85  ? 0.306 0.355 0.339 -0.008 0.010  -0.033 66  HIS BBB ND1  
2685 C CD2  . HIS B 85  ? 0.246 0.294 0.287 -0.007 0.012  -0.035 66  HIS BBB CD2  
2686 C CE1  . HIS B 85  ? 0.262 0.314 0.295 -0.009 0.012  -0.036 66  HIS BBB CE1  
2687 N NE2  . HIS B 85  ? 0.260 0.311 0.298 -0.009 0.014  -0.038 66  HIS BBB NE2  
2688 H H    . HIS B 85  ? 0.239 0.280 0.269 -0.005 0.008  -0.028 66  HIS BBB H    
2689 H HA   . HIS B 85  ? 0.234 0.273 0.273 -0.004 0.011  -0.031 66  HIS BBB HA   
2690 H HB2  . HIS B 85  ? 0.236 0.279 0.269 -0.004 0.007  -0.028 66  HIS BBB HB2  
2691 H HB3  . HIS B 85  ? 0.238 0.280 0.276 -0.003 0.008  -0.029 66  HIS BBB HB3  
2693 H HD2  . HIS B 85  ? 0.250 0.297 0.295 -0.006 0.013  -0.036 66  HIS BBB HD2  
2694 H HE1  . HIS B 85  ? 0.272 0.327 0.302 -0.010 0.012  -0.037 66  HIS BBB HE1  
2696 N N    . GLY B 86  ? 0.209 0.240 0.241 0.000  0.008  -0.024 67  GLY BBB N    
2697 C CA   . GLY B 86  ? 0.219 0.246 0.250 0.003  0.008  -0.021 67  GLY BBB CA   
2698 C C    . GLY B 86  ? 0.218 0.244 0.244 0.005  0.005  -0.019 67  GLY BBB C    
2699 O O    . GLY B 86  ? 0.233 0.256 0.257 0.008  0.004  -0.016 67  GLY BBB O    
2700 H H    . GLY B 86  ? 0.214 0.246 0.244 -0.001 0.008  -0.024 67  GLY BBB H    
2701 H HA2  . GLY B 86  ? 0.218 0.243 0.249 0.003  0.010  -0.021 67  GLY BBB HA2  
2702 H HA3  . GLY B 86  ? 0.218 0.245 0.252 0.004  0.009  -0.021 67  GLY BBB HA3  
2703 N N    . ALA B 87  ? 0.212 0.240 0.235 0.003  0.003  -0.020 68  ALA BBB N    
2704 C CA   . ALA B 87  ? 0.220 0.246 0.237 0.005  0.000  -0.018 68  ALA BBB CA   
2705 C C    . ALA B 87  ? 0.236 0.257 0.247 0.006  0.002  -0.016 68  ALA BBB C    
2706 O O    . ALA B 87  ? 0.269 0.289 0.281 0.005  0.004  -0.016 68  ALA BBB O    
2707 C CB   . ALA B 87  ? 0.217 0.246 0.233 0.003  -0.001 -0.019 68  ALA BBB CB   
2708 H H    . ALA B 87  ? 0.212 0.242 0.236 0.002  0.003  -0.021 68  ALA BBB H    
2709 H HA   . ALA B 87  ? 0.223 0.249 0.241 0.006  -0.001 -0.018 68  ALA BBB HA   
2710 H HB1  . ALA B 87  ? 0.219 0.247 0.232 0.003  -0.002 -0.019 68  ALA BBB HB1  
2711 H HB2  . ALA B 87  ? 0.215 0.247 0.234 0.002  -0.001 -0.020 68  ALA BBB HB2  
2712 H HB3  . ALA B 87  ? 0.215 0.245 0.231 0.002  0.001  -0.019 68  ALA BBB HB3  
2713 N N    . GLU B 88  ? 0.250 0.269 0.257 0.009  -0.001 -0.014 69  GLU BBB N    
2714 C CA   . GLU B 88  ? 0.257 0.270 0.257 0.011  0.001  -0.012 69  GLU BBB CA   
2715 C C    . GLU B 88  ? 0.275 0.289 0.271 0.010  -0.000 -0.013 69  GLU BBB C    
2716 O O    . GLU B 88  ? 0.298 0.313 0.292 0.009  -0.004 -0.014 69  GLU BBB O    
2717 C CB   . GLU B 88  ? 0.270 0.281 0.266 0.014  -0.001 -0.010 69  GLU BBB CB   
2718 C CG   . GLU B 88  ? 0.289 0.299 0.290 0.015  0.001  -0.008 69  GLU BBB CG   
2719 C CD   . GLU B 88  ? 0.311 0.317 0.312 0.016  0.006  -0.006 69  GLU BBB CD   
2720 O OE1  . GLU B 88  ? 0.297 0.300 0.293 0.015  0.008  -0.006 69  GLU BBB OE1  
2721 O OE2  . GLU B 88  ? 0.299 0.304 0.306 0.016  0.009  -0.006 69  GLU BBB OE2  
2722 H H    . GLU B 88  ? 0.248 0.269 0.255 0.009  -0.003 -0.015 69  GLU BBB H    
2723 H HA   . GLU B 88  ? 0.261 0.273 0.263 0.010  0.004  -0.011 69  GLU BBB HA   
2724 H HB2  . GLU B 88  ? 0.272 0.286 0.269 0.014  -0.004 -0.010 69  GLU BBB HB2  
2725 H HB3  . GLU B 88  ? 0.277 0.285 0.267 0.015  -0.001 -0.008 69  GLU BBB HB3  
2726 H HG2  . GLU B 88  ? 0.285 0.298 0.291 0.014  0.001  -0.010 69  GLU BBB HG2  
2727 H HG3  . GLU B 88  ? 0.293 0.303 0.292 0.018  -0.001 -0.006 69  GLU BBB HG3  
2728 N N    . PRO B 89  ? 0.280 0.291 0.274 0.009  0.003  -0.012 70  PRO BBB N    
2729 C CA   . PRO B 89  ? 0.274 0.284 0.264 0.008  0.003  -0.013 70  PRO BBB CA   
2730 C C    . PRO B 89  ? 0.294 0.299 0.275 0.010  0.001  -0.012 70  PRO BBB C    
2731 O O    . PRO B 89  ? 0.294 0.299 0.273 0.010  0.001  -0.013 70  PRO BBB O    
2732 C CB   . PRO B 89  ? 0.268 0.277 0.260 0.007  0.007  -0.012 70  PRO BBB CB   
2733 C CG   . PRO B 89  ? 0.284 0.291 0.278 0.009  0.010  -0.010 70  PRO BBB CG   
2734 C CD   . PRO B 89  ? 0.275 0.283 0.271 0.009  0.007  -0.011 70  PRO BBB CD   
2735 H HA   . PRO B 89  ? 0.273 0.286 0.265 0.007  0.001  -0.014 70  PRO BBB HA   
2736 H HB2  . PRO B 89  ? 0.275 0.281 0.263 0.008  0.008  -0.011 70  PRO BBB HB2  
2737 H HB3  . PRO B 89  ? 0.267 0.280 0.264 0.006  0.007  -0.013 70  PRO BBB HB3  
2738 H HG2  . PRO B 89  ? 0.283 0.286 0.273 0.010  0.011  -0.009 70  PRO BBB HG2  
2739 H HG3  . PRO B 89  ? 0.275 0.284 0.274 0.007  0.011  -0.011 70  PRO BBB HG3  
2740 H HD2  . PRO B 89  ? 0.283 0.288 0.276 0.011  0.008  -0.009 70  PRO BBB HD2  
2741 H HD3  . PRO B 89  ? 0.274 0.286 0.275 0.008  0.008  -0.012 70  PRO BBB HD3  
2742 N N    . ASN B 90  ? 0.282 0.284 0.258 0.013  0.001  -0.010 71  ASN BBB N    
2743 C CA   . ASN B 90  ? 0.327 0.325 0.294 0.015  0.001  -0.009 71  ASN BBB CA   
2744 C C    . ASN B 90  ? 0.364 0.364 0.327 0.016  -0.005 -0.011 71  ASN BBB C    
2745 O O    . ASN B 90  ? 0.422 0.418 0.376 0.019  -0.006 -0.010 71  ASN BBB O    
2746 C CB   . ASN B 90  ? 0.305 0.297 0.266 0.018  0.004  -0.006 71  ASN BBB CB   
2747 C CG   . ASN B 90  ? 0.291 0.282 0.255 0.017  0.010  -0.005 71  ASN BBB CG   
2748 O OD1  . ASN B 90  ? 0.316 0.306 0.278 0.016  0.011  -0.007 71  ASN BBB OD1  
2749 N ND2  . ASN B 90  ? 0.281 0.271 0.250 0.017  0.013  -0.003 71  ASN BBB ND2  
2750 H H    . ASN B 90  ? 0.294 0.297 0.273 0.014  0.002  -0.009 71  ASN BBB H    
2751 H HA   . ASN B 90  ? 0.319 0.316 0.284 0.014  0.002  -0.011 71  ASN BBB HA   
2752 H HB2  . ASN B 90  ? 0.308 0.302 0.272 0.019  0.004  -0.005 71  ASN BBB HB2  
2753 H HB3  . ASN B 90  ? 0.316 0.306 0.269 0.020  0.003  -0.006 71  ASN BBB HB3  
2754 H HD21 . ASN B 90  ? 0.285 0.273 0.254 0.017  0.017  -0.002 71  ASN BBB HD21 
2755 H HD22 . ASN B 90  ? 0.282 0.274 0.254 0.017  0.013  -0.003 71  ASN BBB HD22 
2756 N N    A CYS B 91  ? 0.402 0.406 0.371 0.015  -0.008 -0.013 72  CYS BBB N    
2757 N N    B CYS B 91  ? 0.382 0.387 0.352 0.015  -0.008 -0.013 72  CYS BBB N    
2758 C CA   A CYS B 91  ? 0.424 0.431 0.392 0.016  -0.014 -0.014 72  CYS BBB CA   
2759 C CA   B CYS B 91  ? 0.393 0.401 0.362 0.015  -0.014 -0.015 72  CYS BBB CA   
2760 C C    A CYS B 91  ? 0.415 0.421 0.378 0.015  -0.016 -0.017 72  CYS BBB C    
2761 C C    B CYS B 91  ? 0.400 0.406 0.363 0.015  -0.016 -0.017 72  CYS BBB C    
2762 O O    A CYS B 91  ? 0.444 0.451 0.412 0.012  -0.014 -0.019 72  CYS BBB O    
2763 O O    B CYS B 91  ? 0.429 0.435 0.394 0.012  -0.013 -0.019 72  CYS BBB O    
2764 C CB   A CYS B 91  ? 0.446 0.459 0.424 0.014  -0.016 -0.015 72  CYS BBB CB   
2765 C CB   B CYS B 91  ? 0.388 0.401 0.368 0.013  -0.015 -0.016 72  CYS BBB CB   
2766 S SG   A CYS B 91  ? 0.496 0.512 0.482 0.010  -0.013 -0.017 72  CYS BBB SG   
2767 S SG   B CYS B 91  ? 0.404 0.419 0.390 0.014  -0.014 -0.014 72  CYS BBB SG   
2768 H H    A CYS B 91  ? 0.389 0.396 0.364 0.013  -0.007 -0.013 72  CYS BBB H    
2769 H H    B CYS B 91  ? 0.372 0.379 0.347 0.013  -0.007 -0.014 72  CYS BBB H    
2770 H HA   A CYS B 91  ? 0.429 0.434 0.392 0.018  -0.015 -0.012 72  CYS BBB HA   
2771 H HA   B CYS B 91  ? 0.398 0.404 0.363 0.018  -0.015 -0.013 72  CYS BBB HA   
2772 H HB2  A CYS B 91  ? 0.454 0.469 0.432 0.015  -0.020 -0.017 72  CYS BBB HB2  
2773 H HB2  B CYS B 91  ? 0.387 0.401 0.370 0.011  -0.014 -0.017 72  CYS BBB HB2  
2774 H HB3  A CYS B 91  ? 0.452 0.465 0.432 0.016  -0.015 -0.014 72  CYS BBB HB3  
2775 H HB3  B CYS B 91  ? 0.393 0.409 0.373 0.013  -0.019 -0.018 72  CYS BBB HB3  
2778 N N    . ALA B 92  ? 0.410 0.415 0.365 0.017  -0.019 -0.018 73  ALA BBB N    
2779 C CA   . ALA B 92  ? 0.426 0.429 0.375 0.016  -0.021 -0.022 73  ALA BBB CA   
2780 C C    . ALA B 92  ? 0.435 0.443 0.389 0.014  -0.027 -0.026 73  ALA BBB C    
2781 O O    . ALA B 92  ? 0.422 0.434 0.380 0.016  -0.031 -0.025 73  ALA BBB O    
2782 C CB   . ALA B 92  ? 0.457 0.455 0.393 0.019  -0.021 -0.020 73  ALA BBB CB   
2783 H H    . ALA B 92  ? 0.418 0.423 0.371 0.019  -0.021 -0.017 73  ALA BBB H    
2784 H HA   . ALA B 92  ? 0.426 0.428 0.377 0.014  -0.018 -0.022 73  ALA BBB HA   
2785 H HB1  . ALA B 92  ? 0.456 0.452 0.387 0.019  -0.022 -0.023 73  ALA BBB HB1  
2786 H HB2  . ALA B 92  ? 0.451 0.446 0.385 0.020  -0.017 -0.018 73  ALA BBB HB2  
2787 H HB3  . ALA B 92  ? 0.455 0.454 0.389 0.021  -0.024 -0.019 73  ALA BBB HB3  
2788 N N    . ASP B 93  ? 0.470 0.477 0.425 0.012  -0.027 -0.029 74  ASP BBB N    
2789 C CA   . ASP B 93  ? 0.511 0.523 0.471 0.010  -0.032 -0.034 74  ASP BBB CA   
2790 C C    . ASP B 93  ? 0.589 0.601 0.540 0.013  -0.038 -0.035 74  ASP BBB C    
2791 O O    . ASP B 93  ? 0.504 0.511 0.443 0.015  -0.037 -0.036 74  ASP BBB O    
2792 C CB   . ASP B 93  ? 0.521 0.530 0.483 0.007  -0.031 -0.038 74  ASP BBB CB   
2793 C CG   . ASP B 93  ? 0.529 0.544 0.500 0.005  -0.035 -0.042 74  ASP BBB CG   
2794 O OD1  . ASP B 93  ? 0.608 0.624 0.574 0.005  -0.041 -0.046 74  ASP BBB OD1  
2795 O OD2  . ASP B 93  ? 0.484 0.501 0.465 0.002  -0.034 -0.042 74  ASP BBB OD2  
2796 H H    . ASP B 93  ? 0.470 0.474 0.423 0.011  -0.024 -0.030 74  ASP BBB H    
2797 H HA   . ASP B 93  ? 0.512 0.527 0.480 0.009  -0.033 -0.033 74  ASP BBB HA   
2798 H HB2  . ASP B 93  ? 0.515 0.524 0.481 0.006  -0.027 -0.036 74  ASP BBB HB2  
2799 H HB3  . ASP B 93  ? 0.527 0.533 0.481 0.008  -0.031 -0.039 74  ASP BBB HB3  
2800 N N    . PRO B 94  ? 0.666 0.683 0.622 0.014  -0.043 -0.036 75  PRO BBB N    
2801 C CA   . PRO B 94  ? 0.690 0.709 0.638 0.017  -0.049 -0.036 75  PRO BBB CA   
2802 C C    . PRO B 94  ? 0.698 0.715 0.637 0.017  -0.053 -0.041 75  PRO BBB C    
2803 O O    . PRO B 94  ? 0.727 0.743 0.655 0.020  -0.057 -0.041 75  PRO BBB O    
2804 C CB   . PRO B 94  ? 0.736 0.763 0.696 0.017  -0.054 -0.036 75  PRO BBB CB   
2805 C CG   . PRO B 94  ? 0.710 0.740 0.684 0.013  -0.051 -0.038 75  PRO BBB CG   
2806 C CD   . PRO B 94  ? 0.667 0.691 0.638 0.011  -0.044 -0.036 75  PRO BBB CD   
2807 H HA   . PRO B 94  ? 0.699 0.715 0.641 0.020  -0.048 -0.032 75  PRO BBB HA   
2808 H HB2  . PRO B 94  ? 0.726 0.756 0.685 0.017  -0.060 -0.039 75  PRO BBB HB2  
2809 H HB3  . PRO B 94  ? 0.720 0.747 0.680 0.019  -0.054 -0.032 75  PRO BBB HB3  
2810 H HG2  . PRO B 94  ? 0.705 0.737 0.683 0.011  -0.054 -0.042 75  PRO BBB HG2  
2811 H HG3  . PRO B 94  ? 0.699 0.732 0.680 0.013  -0.052 -0.036 75  PRO BBB HG3  
2812 H HD2  . PRO B 94  ? 0.669 0.692 0.644 0.009  -0.043 -0.038 75  PRO BBB HD2  
2813 H HD3  . PRO B 94  ? 0.667 0.691 0.641 0.012  -0.041 -0.033 75  PRO BBB HD3  
2814 N N    . ALA B 95  ? 0.671 0.687 0.615 0.013  -0.052 -0.046 76  ALA BBB N    
2815 C CA   . ALA B 95  ? 0.703 0.717 0.639 0.012  -0.054 -0.052 76  ALA BBB CA   
2816 C C    . ALA B 95  ? 0.758 0.763 0.684 0.012  -0.047 -0.051 76  ALA BBB C    
2817 O O    . ALA B 95  ? 0.824 0.826 0.737 0.014  -0.048 -0.052 76  ALA BBB O    
2818 C CB   . ALA B 95  ? 0.678 0.696 0.627 0.007  -0.056 -0.057 76  ALA BBB CB   
2819 H H    . ALA B 95  ? 0.674 0.691 0.626 0.010  -0.049 -0.046 76  ALA BBB H    
2820 H HA   . ALA B 95  ? 0.713 0.728 0.642 0.014  -0.058 -0.053 76  ALA BBB HA   
2821 H HB1  . ALA B 95  ? 0.691 0.707 0.636 0.006  -0.057 -0.061 76  ALA BBB HB1  
2822 H HB2  . ALA B 95  ? 0.683 0.706 0.638 0.007  -0.060 -0.058 76  ALA BBB HB2  
2823 H HB3  . ALA B 95  ? 0.676 0.693 0.632 0.005  -0.051 -0.056 76  ALA BBB HB3  
2824 N N    . THR B 96  ? 0.731 0.734 0.666 0.009  -0.041 -0.050 77  THR BBB N    
2825 C CA   . THR B 96  ? 0.658 0.654 0.588 0.008  -0.035 -0.050 77  THR BBB CA   
2826 C C    . THR B 96  ? 0.610 0.603 0.533 0.012  -0.030 -0.044 77  THR BBB C    
2827 O O    . THR B 96  ? 0.571 0.558 0.487 0.012  -0.025 -0.044 77  THR BBB O    
2828 C CB   . THR B 96  ? 0.670 0.667 0.613 0.005  -0.030 -0.051 77  THR BBB CB   
2829 O OG1  . THR B 96  ? 0.620 0.620 0.571 0.004  -0.028 -0.046 77  THR BBB OG1  
2830 C CG2  . THR B 96  ? 0.687 0.687 0.638 0.002  -0.034 -0.056 77  THR BBB CG2  
2831 H H    . THR B 96  ? 0.708 0.714 0.652 0.008  -0.041 -0.049 77  THR BBB H    
2832 H HA   . THR B 96  ? 0.674 0.669 0.598 0.008  -0.036 -0.054 77  THR BBB HA   
2833 H HB   . THR B 96  ? 0.664 0.656 0.603 0.005  -0.027 -0.051 77  THR BBB HB   
2835 H HG21 . THR B 96  ? 0.690 0.688 0.636 0.001  -0.036 -0.060 77  THR BBB HG21 
2836 H HG22 . THR B 96  ? 0.676 0.676 0.635 -0.000 -0.031 -0.056 77  THR BBB HG22 
2837 H HG23 . THR B 96  ? 0.679 0.684 0.635 0.001  -0.038 -0.056 77  THR BBB HG23 
2838 N N    . LEU B 97  ? 0.575 0.571 0.500 0.014  -0.030 -0.040 78  LEU BBB N    
2839 C CA   . LEU B 97  ? 0.545 0.537 0.465 0.016  -0.025 -0.034 78  LEU BBB CA   
2840 C C    . LEU B 97  ? 0.450 0.440 0.377 0.014  -0.019 -0.032 78  LEU BBB C    
2841 O O    . LEU B 97  ? 0.439 0.424 0.361 0.015  -0.013 -0.029 78  LEU BBB O    
2842 C CB   . LEU B 97  ? 0.579 0.565 0.483 0.019  -0.024 -0.033 78  LEU BBB CB   
2843 C CG   . LEU B 97  ? 0.640 0.627 0.534 0.022  -0.030 -0.035 78  LEU BBB CG   
2844 C CD1  . LEU B 97  ? 0.662 0.642 0.539 0.024  -0.028 -0.035 78  LEU BBB CD1  
2845 C CD2  . LEU B 97  ? 0.635 0.626 0.531 0.025  -0.033 -0.030 78  LEU BBB CD2  
2846 H H    . LEU B 97  ? 0.574 0.573 0.502 0.014  -0.034 -0.040 78  LEU BBB H    
2847 H HA   . LEU B 97  ? 0.532 0.527 0.456 0.017  -0.027 -0.031 78  LEU BBB HA   
2848 H HB2  . LEU B 97  ? 0.587 0.570 0.489 0.018  -0.021 -0.035 78  LEU BBB HB2  
2849 H HB3  . LEU B 97  ? 0.584 0.568 0.487 0.021  -0.020 -0.029 78  LEU BBB HB3  
2850 H HG   . LEU B 97  ? 0.631 0.621 0.528 0.020  -0.034 -0.039 78  LEU BBB HG   
2851 H HD11 . LEU B 97  ? 0.659 0.637 0.537 0.023  -0.025 -0.038 78  LEU BBB HD11 
2852 H HD12 . LEU B 97  ? 0.668 0.650 0.539 0.026  -0.032 -0.037 78  LEU BBB HD12 
2853 H HD13 . LEU B 97  ? 0.661 0.639 0.535 0.027  -0.024 -0.031 78  LEU BBB HD13 
2854 H HD21 . LEU B 97  ? 0.636 0.624 0.529 0.026  -0.029 -0.026 78  LEU BBB HD21 
2855 H HD22 . LEU B 97  ? 0.645 0.637 0.534 0.027  -0.038 -0.031 78  LEU BBB HD22 
2856 H HD23 . LEU B 97  ? 0.627 0.623 0.533 0.023  -0.035 -0.030 78  LEU BBB HD23 
2857 N N    . THR B 98  ? 0.385 0.377 0.322 0.011  -0.019 -0.035 79  THR BBB N    
2858 C CA   . THR B 98  ? 0.380 0.373 0.325 0.009  -0.014 -0.033 79  THR BBB CA   
2859 C C    . THR B 98  ? 0.322 0.318 0.273 0.009  -0.013 -0.028 79  THR BBB C    
2860 O O    . THR B 98  ? 0.323 0.323 0.278 0.009  -0.017 -0.029 79  THR BBB O    
2861 C CB   . THR B 98  ? 0.407 0.401 0.361 0.006  -0.014 -0.036 79  THR BBB CB   
2862 O OG1  . THR B 98  ? 0.472 0.462 0.419 0.005  -0.016 -0.041 79  THR BBB OG1  
2863 C CG2  . THR B 98  ? 0.410 0.403 0.370 0.004  -0.009 -0.034 79  THR BBB CG2  
2864 H H    . THR B 98  ? 0.399 0.395 0.340 0.009  -0.022 -0.037 79  THR BBB H    
2865 H HA   . THR B 98  ? 0.378 0.366 0.318 0.010  -0.010 -0.032 79  THR BBB HA   
2866 H HB   . THR B 98  ? 0.408 0.406 0.368 0.005  -0.017 -0.036 79  THR BBB HB   
2868 H HG21 . THR B 98  ? 0.401 0.396 0.363 0.005  -0.008 -0.031 79  THR BBB HG21 
2869 H HG22 . THR B 98  ? 0.405 0.398 0.369 0.003  -0.009 -0.035 79  THR BBB HG22 
2870 H HG23 . THR B 98  ? 0.411 0.400 0.365 0.005  -0.006 -0.034 79  THR BBB HG23 
2871 N N    . ARG B 99  ? 0.325 0.319 0.276 0.010  -0.008 -0.025 80  ARG BBB N    
2872 C CA   . ARG B 99  ? 0.309 0.306 0.267 0.010  -0.006 -0.022 80  ARG BBB CA   
2873 C C    . ARG B 99  ? 0.275 0.275 0.242 0.007  -0.004 -0.022 80  ARG BBB C    
2874 O O    . ARG B 99  ? 0.262 0.260 0.230 0.006  -0.003 -0.024 80  ARG BBB O    
2875 C CB   . ARG B 99  ? 0.325 0.318 0.279 0.012  -0.002 -0.019 80  ARG BBB CB   
2876 C CG   . ARG B 99  ? 0.394 0.385 0.341 0.015  -0.003 -0.017 80  ARG BBB CG   
2877 C CD   . ARG B 99  ? 0.444 0.432 0.381 0.016  -0.005 -0.018 80  ARG BBB CD   
2878 N NE   . ARG B 99  ? 0.523 0.507 0.451 0.020  -0.004 -0.015 80  ARG BBB NE   
2879 C CZ   . ARG B 99  ? 0.581 0.561 0.497 0.022  -0.005 -0.016 80  ARG BBB CZ   
2880 N NH1  . ARG B 99  ? 0.542 0.521 0.454 0.021  -0.006 -0.020 80  ARG BBB NH1  
2881 N NH2  . ARG B 99  ? 0.633 0.611 0.542 0.025  -0.003 -0.012 80  ARG BBB NH2  
2882 H H    . ARG B 99  ? 0.325 0.315 0.273 0.010  -0.005 -0.025 80  ARG BBB H    
2883 H HA   . ARG B 99  ? 0.307 0.306 0.267 0.010  -0.009 -0.022 80  ARG BBB HA   
2884 H HB2  . ARG B 99  ? 0.338 0.329 0.289 0.012  0.000  -0.019 80  ARG BBB HB2  
2885 H HB3  . ARG B 99  ? 0.328 0.324 0.288 0.011  -0.000 -0.017 80  ARG BBB HB3  
2886 H HG2  . ARG B 99  ? 0.386 0.376 0.334 0.015  0.000  -0.014 80  ARG BBB HG2  
2887 H HG3  . ARG B 99  ? 0.383 0.378 0.335 0.014  -0.006 -0.017 80  ARG BBB HG3  
2888 H HD2  . ARG B 99  ? 0.450 0.440 0.387 0.016  -0.009 -0.021 80  ARG BBB HD2  
2889 H HD3  . ARG B 99  ? 0.451 0.436 0.386 0.016  -0.003 -0.019 80  ARG BBB HD3  
2890 H HE   . ARG B 99  ? 0.515 0.500 0.446 0.020  -0.003 -0.013 80  ARG BBB HE   
2891 H HH11 . ARG B 99  ? 0.550 0.531 0.468 0.019  -0.007 -0.022 80  ARG BBB HH11 
2892 H HH12 . ARG B 99  ? 0.564 0.541 0.467 0.022  -0.006 -0.021 80  ARG BBB HH12 
2893 H HH21 . ARG B 99  ? 0.609 0.587 0.521 0.026  -0.002 -0.010 80  ARG BBB HH21 
2894 H HH22 . ARG B 99  ? 0.621 0.595 0.521 0.027  -0.004 -0.012 80  ARG BBB HH22 
2895 N N    . PRO B 100 ? 0.268 0.272 0.243 0.006  -0.004 -0.020 81  PRO BBB N    
2896 C CA   . PRO B 100 ? 0.253 0.260 0.235 0.004  -0.002 -0.020 81  PRO BBB CA   
2897 C C    . PRO B 100 ? 0.230 0.234 0.211 0.004  0.002  -0.019 81  PRO BBB C    
2898 O O    . PRO B 100 ? 0.224 0.229 0.209 0.003  0.002  -0.019 81  PRO BBB O    
2899 C CB   . PRO B 100 ? 0.256 0.266 0.242 0.004  -0.002 -0.018 81  PRO BBB CB   
2900 C CG   . PRO B 100 ? 0.264 0.275 0.248 0.005  -0.005 -0.019 81  PRO BBB CG   
2901 C CD   . PRO B 100 ? 0.264 0.270 0.239 0.007  -0.006 -0.019 81  PRO BBB CD   
2902 H HA   . PRO B 100 ? 0.250 0.259 0.235 0.003  -0.004 -0.021 81  PRO BBB HA   
2903 H HB2  . PRO B 100 ? 0.255 0.264 0.240 0.005  0.000  -0.017 81  PRO BBB HB2  
2904 H HB3  . PRO B 100 ? 0.251 0.264 0.241 0.003  -0.002 -0.018 81  PRO BBB HB3  
2905 H HG2  . PRO B 100 ? 0.259 0.271 0.245 0.006  -0.005 -0.018 81  PRO BBB HG2  
2906 H HG3  . PRO B 100 ? 0.259 0.273 0.246 0.004  -0.007 -0.020 81  PRO BBB HG3  
2907 H HD2  . PRO B 100 ? 0.269 0.273 0.241 0.009  -0.004 -0.017 81  PRO BBB HD2  
2908 H HD3  . PRO B 100 ? 0.270 0.277 0.244 0.008  -0.009 -0.020 81  PRO BBB HD3  
2909 N N    . VAL B 101 ? 0.237 0.238 0.214 0.006  0.004  -0.017 82  VAL BBB N    
2910 C CA   . VAL B 101 ? 0.257 0.255 0.234 0.006  0.008  -0.016 82  VAL BBB CA   
2911 C C    . VAL B 101 ? 0.265 0.259 0.239 0.006  0.009  -0.018 82  VAL BBB C    
2912 O O    . VAL B 101 ? 0.271 0.265 0.249 0.006  0.011  -0.017 82  VAL BBB O    
2913 C CB   . VAL B 101 ? 0.293 0.288 0.267 0.008  0.012  -0.014 82  VAL BBB CB   
2914 C CG1  . VAL B 101 ? 0.317 0.316 0.297 0.007  0.012  -0.013 82  VAL BBB CG1  
2915 C CG2  . VAL B 101 ? 0.305 0.295 0.269 0.010  0.011  -0.015 82  VAL BBB CG2  
2916 H H    . VAL B 101 ? 0.243 0.243 0.217 0.007  0.004  -0.017 82  VAL BBB H    
2917 H HA   . VAL B 101 ? 0.255 0.256 0.237 0.005  0.009  -0.015 82  VAL BBB HA   
2918 H HB   . VAL B 101 ? 0.293 0.287 0.268 0.008  0.014  -0.014 82  VAL BBB HB   
2919 H HG11 . VAL B 101 ? 0.303 0.304 0.288 0.006  0.013  -0.012 82  VAL BBB HG11 
2920 H HG12 . VAL B 101 ? 0.309 0.306 0.288 0.008  0.015  -0.011 82  VAL BBB HG12 
2921 H HG13 . VAL B 101 ? 0.306 0.306 0.286 0.007  0.010  -0.013 82  VAL BBB HG13 
2922 H HG21 . VAL B 101 ? 0.303 0.295 0.267 0.010  0.009  -0.015 82  VAL BBB HG21 
2923 H HG22 . VAL B 101 ? 0.306 0.294 0.269 0.011  0.014  -0.013 82  VAL BBB HG22 
2924 H HG23 . VAL B 101 ? 0.308 0.296 0.269 0.010  0.011  -0.016 82  VAL BBB HG23 
2925 N N    . HIS B 102 ? 0.281 0.272 0.248 0.007  0.007  -0.021 83  HIS BBB N    
2926 C CA   . HIS B 102 ? 0.290 0.278 0.254 0.006  0.007  -0.023 83  HIS BBB CA   
2927 C C    . HIS B 102 ? 0.283 0.274 0.256 0.004  0.006  -0.024 83  HIS BBB C    
2928 O O    . HIS B 102 ? 0.277 0.265 0.252 0.004  0.009  -0.024 83  HIS BBB O    
2929 C CB   . HIS B 102 ? 0.316 0.302 0.273 0.007  0.003  -0.027 83  HIS BBB CB   
2930 C CG   . HIS B 102 ? 0.341 0.323 0.287 0.009  0.004  -0.026 83  HIS BBB CG   
2931 N ND1  . HIS B 102 ? 0.368 0.344 0.307 0.011  0.008  -0.027 83  HIS BBB ND1  
2932 C CD2  . HIS B 102 ? 0.320 0.302 0.260 0.011  0.002  -0.025 83  HIS BBB CD2  
2933 C CE1  . HIS B 102 ? 0.354 0.327 0.283 0.013  0.008  -0.026 83  HIS BBB CE1  
2934 N NE2  . HIS B 102 ? 0.379 0.356 0.309 0.014  0.004  -0.024 83  HIS BBB NE2  
2935 H H    . HIS B 102 ? 0.281 0.273 0.245 0.007  0.005  -0.021 83  HIS BBB H    
2936 H HA   . HIS B 102 ? 0.295 0.280 0.258 0.007  0.010  -0.023 83  HIS BBB HA   
2937 H HB2  . HIS B 102 ? 0.312 0.302 0.272 0.006  0.000  -0.027 83  HIS BBB HB2  
2938 H HB3  . HIS B 102 ? 0.318 0.303 0.275 0.006  0.003  -0.029 83  HIS BBB HB3  
2940 H HD2  . HIS B 102 ? 0.332 0.319 0.277 0.011  -0.001 -0.024 83  HIS BBB HD2  
2941 H HE1  . HIS B 102 ? 0.372 0.341 0.294 0.015  0.010  -0.026 83  HIS BBB HE1  
2943 N N    . ASP B 103 ? 0.282 0.277 0.259 0.003  0.003  -0.024 84  ASP BBB N    
2944 C CA   . ASP B 103 ? 0.275 0.273 0.260 0.001  0.003  -0.025 84  ASP BBB CA   
2945 C C    . ASP B 103 ? 0.250 0.250 0.241 0.000  0.006  -0.021 84  ASP BBB C    
2946 O O    . ASP B 103 ? 0.259 0.258 0.254 -0.001 0.007  -0.021 84  ASP BBB O    
2947 C CB   . ASP B 103 ? 0.289 0.291 0.278 -0.001 -0.001 -0.026 84  ASP BBB CB   
2948 C CG   . ASP B 103 ? 0.345 0.346 0.329 -0.001 -0.005 -0.030 84  ASP BBB CG   
2949 O OD1  . ASP B 103 ? 0.358 0.355 0.341 -0.001 -0.004 -0.033 84  ASP BBB OD1  
2950 O OD2  . ASP B 103 ? 0.326 0.330 0.309 0.000  -0.008 -0.030 84  ASP BBB OD2  
2951 H H    . ASP B 103 ? 0.279 0.277 0.256 0.003  0.001  -0.024 84  ASP BBB H    
2952 H HA   . ASP B 103 ? 0.279 0.274 0.264 0.000  0.003  -0.027 84  ASP BBB HA   
2953 H HB2  . ASP B 103 ? 0.293 0.298 0.281 -0.000 -0.002 -0.024 84  ASP BBB HB2  
2954 H HB3  . ASP B 103 ? 0.292 0.297 0.286 -0.002 -0.001 -0.025 84  ASP BBB HB3  
2955 N N    . ALA B 104 ? 0.248 0.251 0.239 0.001  0.006  -0.019 85  ALA BBB N    
2956 C CA   . ALA B 104 ? 0.247 0.253 0.244 0.001  0.008  -0.016 85  ALA BBB CA   
2957 C C    . ALA B 104 ? 0.229 0.231 0.226 0.002  0.012  -0.015 85  ALA BBB C    
2958 O O    . ALA B 104 ? 0.235 0.238 0.237 0.002  0.013  -0.013 85  ALA BBB O    
2959 C CB   . ALA B 104 ? 0.232 0.241 0.229 0.002  0.008  -0.014 85  ALA BBB CB   
2960 H H    . ALA B 104 ? 0.249 0.252 0.238 0.002  0.005  -0.019 85  ALA BBB H    
2961 H HA   . ALA B 104 ? 0.237 0.246 0.238 0.000  0.008  -0.015 85  ALA BBB HA   
2962 H HB1  . ALA B 104 ? 0.233 0.244 0.233 0.001  0.009  -0.013 85  ALA BBB HB1  
2963 H HB2  . ALA B 104 ? 0.234 0.245 0.231 0.001  0.006  -0.015 85  ALA BBB HB2  
2964 H HB3  . ALA B 104 ? 0.238 0.245 0.232 0.003  0.009  -0.014 85  ALA BBB HB3  
2965 N N    . ALA B 105 ? 0.264 0.261 0.255 0.003  0.013  -0.016 86  ALA BBB N    
2966 C CA   . ALA B 105 ? 0.269 0.261 0.259 0.004  0.017  -0.016 86  ALA BBB CA   
2967 C C    . ALA B 105 ? 0.271 0.260 0.262 0.004  0.018  -0.018 86  ALA BBB C    
2968 O O    . ALA B 105 ? 0.288 0.277 0.285 0.004  0.021  -0.016 86  ALA BBB O    
2969 C CB   . ALA B 105 ? 0.284 0.272 0.267 0.006  0.019  -0.017 86  ALA BBB CB   
2970 H H    . ALA B 105 ? 0.259 0.255 0.246 0.004  0.012  -0.017 86  ALA BBB H    
2971 H HA   . ALA B 105 ? 0.267 0.262 0.262 0.005  0.019  -0.014 86  ALA BBB HA   
2972 H HB1  . ALA B 105 ? 0.284 0.269 0.267 0.007  0.022  -0.017 86  ALA BBB HB1  
2973 H HB2  . ALA B 105 ? 0.279 0.269 0.262 0.006  0.020  -0.015 86  ALA BBB HB2  
2974 H HB3  . ALA B 105 ? 0.285 0.271 0.263 0.006  0.018  -0.019 86  ALA BBB HB3  
2975 N N    . ARG B 106 ? 0.291 0.279 0.279 0.003  0.015  -0.021 87  ARG BBB N    
2976 C CA   . ARG B 106 ? 0.314 0.298 0.304 0.002  0.016  -0.024 87  ARG BBB CA   
2977 C C    . ARG B 106 ? 0.339 0.326 0.338 0.000  0.016  -0.022 87  ARG BBB C    
2978 O O    . ARG B 106 ? 0.326 0.310 0.329 0.000  0.019  -0.022 87  ARG BBB O    
2979 C CB   . ARG B 106 ? 0.371 0.355 0.356 0.001  0.012  -0.028 87  ARG BBB CB   
2980 C CG   . ARG B 106 ? 0.450 0.430 0.436 -0.001 0.012  -0.033 87  ARG BBB CG   
2981 C CD   . ARG B 106 ? 0.516 0.496 0.496 -0.002 0.007  -0.037 87  ARG BBB CD   
2982 N NE   . ARG B 106 ? 0.646 0.621 0.624 -0.002 0.008  -0.043 87  ARG BBB NE   
2983 C CZ   . ARG B 106 ? 0.699 0.671 0.668 -0.002 0.005  -0.047 87  ARG BBB CZ   
2984 N NH1  . ARG B 106 ? 0.747 0.723 0.709 -0.001 0.001  -0.047 87  ARG BBB NH1  
2985 N NH2  . ARG B 106 ? 0.741 0.709 0.709 -0.003 0.005  -0.053 87  ARG BBB NH2  
2986 H H    . ARG B 106 ? 0.292 0.280 0.276 0.003  0.013  -0.022 87  ARG BBB H    
2987 H HA   . ARG B 106 ? 0.330 0.310 0.318 0.002  0.018  -0.025 87  ARG BBB HA   
2988 H HB2  . ARG B 106 ? 0.376 0.358 0.355 0.002  0.011  -0.029 87  ARG BBB HB2  
2989 H HB3  . ARG B 106 ? 0.368 0.356 0.356 -0.000 0.009  -0.028 87  ARG BBB HB3  
2990 H HG2  . ARG B 106 ? 0.441 0.423 0.434 -0.002 0.012  -0.032 87  ARG BBB HG2  
2991 H HG3  . ARG B 106 ? 0.450 0.425 0.433 -0.000 0.015  -0.034 87  ARG BBB HG3  
2992 H HD2  . ARG B 106 ? 0.528 0.508 0.502 -0.000 0.006  -0.037 87  ARG BBB HD2  
2993 H HD3  . ARG B 106 ? 0.522 0.506 0.506 -0.003 0.005  -0.037 87  ARG BBB HD3  
2994 H HE   . ARG B 106 ? 0.629 0.602 0.611 -0.003 0.010  -0.043 87  ARG BBB HE   
2995 H HH11 . ARG B 106 ? 0.720 0.698 0.683 0.000  0.001  -0.043 87  ARG BBB HH11 
2996 H HH12 . ARG B 106 ? 0.732 0.706 0.688 -0.000 -0.001 -0.050 87  ARG BBB HH12 
2997 H HH21 . ARG B 106 ? 0.725 0.692 0.699 -0.004 0.008  -0.053 87  ARG BBB HH21 
2998 H HH22 . ARG B 106 ? 0.732 0.699 0.693 -0.003 0.003  -0.056 87  ARG BBB HH22 
2999 N N    . GLU B 107 ? 0.282 0.275 0.284 -0.000 0.014  -0.019 88  GLU BBB N    
3000 C CA   . GLU B 107 ? 0.286 0.283 0.296 -0.001 0.015  -0.016 88  GLU BBB CA   
3001 C C    . GLU B 107 ? 0.252 0.251 0.265 0.000  0.017  -0.012 88  GLU BBB C    
3002 O O    . GLU B 107 ? 0.247 0.248 0.265 0.000  0.018  -0.009 88  GLU BBB O    
3003 C CB   . GLU B 107 ? 0.313 0.314 0.324 -0.002 0.012  -0.017 88  GLU BBB CB   
3004 C CG   . GLU B 107 ? 0.355 0.354 0.364 -0.004 0.009  -0.021 88  GLU BBB CG   
3005 C CD   . GLU B 107 ? 0.416 0.420 0.428 -0.005 0.006  -0.022 88  GLU BBB CD   
3006 O OE1  . GLU B 107 ? 0.433 0.441 0.449 -0.006 0.007  -0.018 88  GLU BBB OE1  
3007 O OE2  . GLU B 107 ? 0.470 0.474 0.480 -0.006 0.003  -0.025 88  GLU BBB OE2  
3008 H H    . GLU B 107 ? 0.293 0.288 0.293 0.000  0.013  -0.019 88  GLU BBB H    
3009 H HA   . GLU B 107 ? 0.287 0.280 0.299 -0.002 0.016  -0.018 88  GLU BBB HA   
3010 H HB2  . GLU B 107 ? 0.311 0.315 0.320 -0.002 0.010  -0.016 88  GLU BBB HB2  
3011 H HB3  . GLU B 107 ? 0.312 0.315 0.327 -0.003 0.012  -0.014 88  GLU BBB HB3  
3012 H HG2  . GLU B 107 ? 0.362 0.358 0.374 -0.005 0.010  -0.022 88  GLU BBB HG2  
3013 H HG3  . GLU B 107 ? 0.361 0.359 0.366 -0.003 0.008  -0.023 88  GLU BBB HG3  
3014 N N    . GLY B 108 ? 0.234 0.233 0.245 0.002  0.018  -0.011 89  GLY BBB N    
3015 C CA   . GLY B 108 ? 0.230 0.231 0.245 0.003  0.020  -0.007 89  GLY BBB CA   
3016 C C    . GLY B 108 ? 0.224 0.232 0.242 0.003  0.018  -0.004 89  GLY BBB C    
3017 O O    . GLY B 108 ? 0.237 0.248 0.259 0.004  0.019  -0.001 89  GLY BBB O    
3018 H H    . GLY B 108 ? 0.240 0.236 0.246 0.002  0.018  -0.013 89  GLY BBB H    
3019 H HA2  . GLY B 108 ? 0.232 0.231 0.246 0.004  0.022  -0.008 89  GLY BBB HA2  
3020 H HA3  . GLY B 108 ? 0.232 0.231 0.251 0.004  0.022  -0.006 89  GLY BBB HA3  
3021 N N    . PHE B 109 ? 0.239 0.250 0.254 0.002  0.015  -0.006 90  PHE BBB N    
3022 C CA   . PHE B 109 ? 0.232 0.250 0.249 0.002  0.013  -0.004 90  PHE BBB CA   
3023 C C    . PHE B 109 ? 0.234 0.253 0.249 0.002  0.013  -0.005 90  PHE BBB C    
3024 O O    . PHE B 109 ? 0.223 0.242 0.235 0.002  0.012  -0.007 90  PHE BBB O    
3025 C CB   . PHE B 109 ? 0.237 0.256 0.252 0.000  0.011  -0.006 90  PHE BBB CB   
3026 C CG   . PHE B 109 ? 0.252 0.271 0.269 -0.000 0.011  -0.005 90  PHE BBB CG   
3027 C CD1  . PHE B 109 ? 0.254 0.275 0.275 0.000  0.012  -0.001 90  PHE BBB CD1  
3028 C CD2  . PHE B 109 ? 0.262 0.277 0.278 -0.001 0.011  -0.008 90  PHE BBB CD2  
3029 C CE1  . PHE B 109 ? 0.262 0.282 0.286 -0.000 0.013  0.000  90  PHE BBB CE1  
3030 C CE2  . PHE B 109 ? 0.284 0.298 0.304 -0.002 0.012  -0.007 90  PHE BBB CE2  
3031 C CZ   . PHE B 109 ? 0.273 0.290 0.297 -0.002 0.013  -0.003 90  PHE BBB CZ   
3032 H H    . PHE B 109 ? 0.236 0.245 0.247 0.002  0.014  -0.008 90  PHE BBB H    
3033 H HA   . PHE B 109 ? 0.234 0.254 0.254 0.002  0.014  -0.002 90  PHE BBB HA   
3034 H HB2  . PHE B 109 ? 0.239 0.257 0.251 -0.000 0.010  -0.008 90  PHE BBB HB2  
3035 H HB3  . PHE B 109 ? 0.236 0.260 0.252 0.000  0.010  -0.005 90  PHE BBB HB3  
3036 H HD1  . PHE B 109 ? 0.254 0.279 0.276 0.001  0.012  0.001  90  PHE BBB HD1  
3037 H HD2  . PHE B 109 ? 0.265 0.279 0.278 -0.002 0.010  -0.010 90  PHE BBB HD2  
3038 H HE1  . PHE B 109 ? 0.263 0.285 0.289 0.000  0.014  0.003  90  PHE BBB HE1  
3039 H HE2  . PHE B 109 ? 0.277 0.289 0.297 -0.003 0.011  -0.010 90  PHE BBB HE2  
3040 H HZ   . PHE B 109 ? 0.274 0.289 0.300 -0.003 0.014  -0.002 90  PHE BBB HZ   
3041 N N    . LEU B 110 ? 0.228 0.249 0.247 0.003  0.015  -0.002 91  LEU BBB N    
3042 C CA   . LEU B 110 ? 0.230 0.253 0.251 0.004  0.015  -0.003 91  LEU BBB CA   
3043 C C    . LEU B 110 ? 0.240 0.268 0.261 0.003  0.013  -0.004 91  LEU BBB C    
3044 O O    . LEU B 110 ? 0.205 0.232 0.225 0.002  0.013  -0.005 91  LEU BBB O    
3045 C CB   . LEU B 110 ? 0.230 0.255 0.258 0.005  0.017  -0.000 91  LEU BBB CB   
3046 C CG   . LEU B 110 ? 0.236 0.264 0.267 0.005  0.018  -0.000 91  LEU BBB CG   
3047 C CD1  . LEU B 110 ? 0.239 0.261 0.266 0.005  0.021  -0.002 91  LEU BBB CD1  
3048 C CD2  . LEU B 110 ? 0.245 0.276 0.284 0.007  0.019  0.002  91  LEU BBB CD2  
3049 H H    . LEU B 110 ? 0.230 0.252 0.253 0.004  0.015  -0.001 91  LEU BBB H    
3050 H HA   . LEU B 110 ? 0.234 0.253 0.252 0.004  0.017  -0.004 91  LEU BBB HA   
3051 H HB2  . LEU B 110 ? 0.235 0.256 0.262 0.006  0.019  0.000  91  LEU BBB HB2  
3052 H HB3  . LEU B 110 ? 0.231 0.259 0.260 0.005  0.016  0.002  91  LEU BBB HB3  
3053 H HG   . LEU B 110 ? 0.234 0.266 0.265 0.004  0.016  -0.001 91  LEU BBB HG   
3054 H HD11 . LEU B 110 ? 0.239 0.260 0.262 0.005  0.019  -0.004 91  LEU BBB HD11 
3055 H HD12 . LEU B 110 ? 0.239 0.262 0.269 0.006  0.022  -0.002 91  LEU BBB HD12 
3056 H HD13 . LEU B 110 ? 0.242 0.259 0.267 0.006  0.022  -0.003 91  LEU BBB HD13 
3057 H HD21 . LEU B 110 ? 0.245 0.272 0.284 0.008  0.021  0.003  91  LEU BBB HD21 
3058 H HD22 . LEU B 110 ? 0.241 0.274 0.283 0.007  0.019  0.002  91  LEU BBB HD22 
3059 H HD23 . LEU B 110 ? 0.241 0.276 0.282 0.007  0.017  0.004  91  LEU BBB HD23 
3060 N N    . ASP B 111 ? 0.249 0.283 0.272 0.002  0.010  -0.003 92  ASP BBB N    
3061 C CA   . ASP B 111 ? 0.264 0.303 0.287 0.001  0.008  -0.004 92  ASP BBB CA   
3062 C C    . ASP B 111 ? 0.214 0.250 0.233 -0.000 0.008  -0.007 92  ASP BBB C    
3063 O O    . ASP B 111 ? 0.179 0.216 0.198 -0.001 0.008  -0.008 92  ASP BBB O    
3064 C CB   . ASP B 111 ? 0.303 0.347 0.326 0.000  0.006  -0.002 92  ASP BBB CB   
3065 C CG   . ASP B 111 ? 0.442 0.491 0.469 0.001  0.005  0.000  92  ASP BBB CG   
3066 O OD1  . ASP B 111 ? 0.560 0.610 0.592 0.002  0.006  -0.000 92  ASP BBB OD1  
3067 O OD2  . ASP B 111 ? 0.562 0.616 0.589 0.002  0.004  0.003  92  ASP BBB OD2  
3068 H H    . ASP B 111 ? 0.251 0.285 0.275 0.002  0.010  -0.001 92  ASP BBB H    
3069 H HA   . ASP B 111 ? 0.257 0.298 0.282 0.001  0.008  -0.004 92  ASP BBB HA   
3070 H HB2  . ASP B 111 ? 0.322 0.364 0.344 0.001  0.007  -0.001 92  ASP BBB HB2  
3071 H HB3  . ASP B 111 ? 0.319 0.366 0.341 -0.001 0.005  -0.004 92  ASP BBB HB3  
3072 N N    . THR B 112 ? 0.198 0.230 0.213 -0.000 0.008  -0.007 93  THR BBB N    
3073 C CA   . THR B 112 ? 0.210 0.239 0.222 -0.001 0.007  -0.009 93  THR BBB CA   
3074 C C    . THR B 112 ? 0.205 0.230 0.215 0.000  0.009  -0.010 93  THR BBB C    
3075 O O    . THR B 112 ? 0.184 0.208 0.192 0.000  0.008  -0.011 93  THR BBB O    
3076 C CB   . THR B 112 ? 0.213 0.240 0.223 -0.001 0.006  -0.010 93  THR BBB CB   
3077 O OG1  . THR B 112 ? 0.229 0.260 0.241 -0.002 0.006  -0.009 93  THR BBB OG1  
3078 C CG2  . THR B 112 ? 0.233 0.258 0.241 -0.002 0.005  -0.012 93  THR BBB CG2  
3079 H H    . THR B 112 ? 0.206 0.236 0.221 -0.000 0.008  -0.006 93  THR BBB H    
3080 H HA   . THR B 112 ? 0.205 0.237 0.217 -0.002 0.006  -0.010 93  THR BBB HA   
3081 H HB   . THR B 112 ? 0.222 0.246 0.231 -0.001 0.007  -0.010 93  THR BBB HB   
3083 H HG21 . THR B 112 ? 0.229 0.251 0.234 -0.001 0.005  -0.013 93  THR BBB HG21 
3084 H HG22 . THR B 112 ? 0.227 0.252 0.235 -0.002 0.004  -0.013 93  THR BBB HG22 
3085 H HG23 . THR B 112 ? 0.225 0.253 0.233 -0.002 0.004  -0.013 93  THR BBB HG23 
3086 N N    . LEU B 113 ? 0.225 0.246 0.234 0.001  0.011  -0.009 94  LEU BBB N    
3087 C CA   . LEU B 113 ? 0.236 0.252 0.241 0.002  0.013  -0.010 94  LEU BBB CA   
3088 C C    . LEU B 113 ? 0.206 0.225 0.216 0.002  0.014  -0.009 94  LEU BBB C    
3089 O O    . LEU B 113 ? 0.186 0.201 0.192 0.003  0.015  -0.010 94  LEU BBB O    
3090 C CB   . LEU B 113 ? 0.290 0.302 0.295 0.004  0.015  -0.009 94  LEU BBB CB   
3091 C CG   . LEU B 113 ? 0.368 0.375 0.370 0.005  0.018  -0.009 94  LEU BBB CG   
3092 C CD1  . LEU B 113 ? 0.427 0.429 0.420 0.006  0.018  -0.011 94  LEU BBB CD1  
3093 C CD2  . LEU B 113 ? 0.408 0.412 0.412 0.006  0.022  -0.008 94  LEU BBB CD2  
3094 H H    . LEU B 113 ? 0.223 0.244 0.233 0.001  0.011  -0.008 94  LEU BBB H    
3095 H HA   . LEU B 113 ? 0.240 0.253 0.242 0.003  0.012  -0.011 94  LEU BBB HA   
3096 H HB2  . LEU B 113 ? 0.294 0.304 0.297 0.003  0.015  -0.010 94  LEU BBB HB2  
3097 H HB3  . LEU B 113 ? 0.290 0.305 0.300 0.004  0.016  -0.008 94  LEU BBB HB3  
3098 H HG   . LEU B 113 ? 0.366 0.374 0.369 0.005  0.019  -0.009 94  LEU BBB HG   
3099 H HD11 . LEU B 113 ? 0.407 0.411 0.400 0.005  0.015  -0.011 94  LEU BBB HD11 
3100 H HD12 . LEU B 113 ? 0.413 0.412 0.404 0.007  0.020  -0.011 94  LEU BBB HD12 
3101 H HD13 . LEU B 113 ? 0.411 0.411 0.403 0.005  0.017  -0.012 94  LEU BBB HD13 
3102 H HD21 . LEU B 113 ? 0.397 0.400 0.400 0.006  0.022  -0.008 94  LEU BBB HD21 
3103 H HD22 . LEU B 113 ? 0.400 0.400 0.400 0.007  0.024  -0.008 94  LEU BBB HD22 
3104 H HD23 . LEU B 113 ? 0.393 0.401 0.402 0.006  0.022  -0.007 94  LEU BBB HD23 
3105 N N    . VAL B 114 ? 0.198 0.221 0.213 0.002  0.014  -0.009 95  VAL BBB N    
3106 C CA   . VAL B 114 ? 0.204 0.231 0.224 0.001  0.015  -0.009 95  VAL BBB CA   
3107 C C    . VAL B 114 ? 0.178 0.206 0.198 0.000  0.013  -0.011 95  VAL BBB C    
3108 O O    . VAL B 114 ? 0.184 0.210 0.205 0.000  0.015  -0.011 95  VAL BBB O    
3109 C CB   . VAL B 114 ? 0.218 0.251 0.244 0.001  0.014  -0.008 95  VAL BBB CB   
3110 C CG1  . VAL B 114 ? 0.220 0.257 0.252 -0.001 0.014  -0.010 95  VAL BBB CG1  
3111 C CG2  . VAL B 114 ? 0.237 0.269 0.266 0.002  0.016  -0.006 95  VAL BBB CG2  
3112 H H    . VAL B 114 ? 0.200 0.226 0.217 0.002  0.013  -0.008 95  VAL BBB H    
3113 H HA   . VAL B 114 ? 0.203 0.226 0.223 0.002  0.017  -0.009 95  VAL BBB HA   
3114 H HB   . VAL B 114 ? 0.217 0.253 0.243 0.000  0.012  -0.008 95  VAL BBB HB   
3115 H HG11 . VAL B 114 ? 0.217 0.257 0.249 -0.002 0.012  -0.011 95  VAL BBB HG11 
3116 H HG12 . VAL B 114 ? 0.218 0.259 0.255 -0.001 0.013  -0.009 95  VAL BBB HG12 
3117 H HG13 . VAL B 114 ? 0.220 0.254 0.253 -0.000 0.016  -0.010 95  VAL BBB HG13 
3118 H HG21 . VAL B 114 ? 0.233 0.262 0.263 0.002  0.018  -0.006 95  VAL BBB HG21 
3119 H HG22 . VAL B 114 ? 0.230 0.266 0.263 0.002  0.015  -0.006 95  VAL BBB HG22 
3120 H HG23 . VAL B 114 ? 0.233 0.261 0.259 0.003  0.016  -0.006 95  VAL BBB HG23 
3121 N N    . VAL B 115 ? 0.179 0.210 0.197 -0.001 0.011  -0.012 96  VAL BBB N    
3122 C CA   . VAL B 115 ? 0.175 0.207 0.192 -0.002 0.009  -0.014 96  VAL BBB CA   
3123 C C    . VAL B 115 ? 0.167 0.193 0.180 -0.001 0.010  -0.014 96  VAL BBB C    
3124 O O    . VAL B 115 ? 0.167 0.192 0.181 -0.001 0.012  -0.014 96  VAL BBB O    
3125 C CB   . VAL B 115 ? 0.185 0.220 0.201 -0.003 0.007  -0.014 96  VAL BBB CB   
3126 C CG1  . VAL B 115 ? 0.198 0.234 0.214 -0.003 0.006  -0.016 96  VAL BBB CG1  
3127 C CG2  . VAL B 115 ? 0.184 0.226 0.204 -0.004 0.006  -0.014 96  VAL BBB CG2  
3128 H H    . VAL B 115 ? 0.177 0.209 0.195 -0.001 0.010  -0.011 96  VAL BBB H    
3129 H HA   . VAL B 115 ? 0.174 0.209 0.195 -0.003 0.010  -0.015 96  VAL BBB HA   
3130 H HB   . VAL B 115 ? 0.186 0.220 0.200 -0.002 0.007  -0.013 96  VAL BBB HB   
3131 H HG11 . VAL B 115 ? 0.196 0.227 0.208 -0.002 0.006  -0.015 96  VAL BBB HG11 
3132 H HG12 . VAL B 115 ? 0.193 0.231 0.208 -0.004 0.005  -0.016 96  VAL BBB HG12 
3133 H HG13 . VAL B 115 ? 0.194 0.230 0.211 -0.003 0.007  -0.017 96  VAL BBB HG13 
3134 H HG21 . VAL B 115 ? 0.183 0.227 0.205 -0.004 0.006  -0.015 96  VAL BBB HG21 
3135 H HG22 . VAL B 115 ? 0.183 0.227 0.201 -0.004 0.005  -0.014 96  VAL BBB HG22 
3136 H HG23 . VAL B 115 ? 0.184 0.226 0.205 -0.003 0.006  -0.013 96  VAL BBB HG23 
3137 N N    . LEU B 116 ? 0.190 0.212 0.199 0.001  0.010  -0.013 97  LEU BBB N    
3138 C CA   . LEU B 116 ? 0.190 0.208 0.194 0.002  0.010  -0.013 97  LEU BBB CA   
3139 C C    . LEU B 116 ? 0.201 0.215 0.204 0.003  0.014  -0.012 97  LEU BBB C    
3140 O O    . LEU B 116 ? 0.184 0.196 0.186 0.004  0.015  -0.011 97  LEU BBB O    
3141 C CB   . LEU B 116 ? 0.203 0.217 0.201 0.003  0.009  -0.013 97  LEU BBB CB   
3142 C CG   . LEU B 116 ? 0.207 0.224 0.206 0.002  0.006  -0.014 97  LEU BBB CG   
3143 C CD1  . LEU B 116 ? 0.218 0.232 0.213 0.002  0.006  -0.014 97  LEU BBB CD1  
3144 C CD2  . LEU B 116 ? 0.216 0.233 0.214 0.002  0.004  -0.015 97  LEU BBB CD2  
3145 H H    . LEU B 116 ? 0.184 0.207 0.192 0.001  0.010  -0.012 97  LEU BBB H    
3146 H HA   . LEU B 116 ? 0.193 0.212 0.197 0.002  0.009  -0.013 97  LEU BBB HA   
3147 H HB2  . LEU B 116 ? 0.202 0.216 0.201 0.003  0.010  -0.012 97  LEU BBB HB2  
3148 H HB3  . LEU B 116 ? 0.206 0.217 0.200 0.004  0.010  -0.013 97  LEU BBB HB3  
3149 H HG   . LEU B 116 ? 0.205 0.226 0.208 0.001  0.006  -0.014 97  LEU BBB HG   
3150 H HD11 . LEU B 116 ? 0.215 0.229 0.212 0.002  0.007  -0.014 97  LEU BBB HD11 
3151 H HD12 . LEU B 116 ? 0.214 0.230 0.211 0.001  0.004  -0.015 97  LEU BBB HD12 
3152 H HD13 . LEU B 116 ? 0.219 0.230 0.211 0.003  0.006  -0.015 97  LEU BBB HD13 
3153 H HD21 . LEU B 116 ? 0.217 0.231 0.211 0.004  0.004  -0.014 97  LEU BBB HD21 
3154 H HD22 . LEU B 116 ? 0.212 0.231 0.211 0.002  0.002  -0.016 97  LEU BBB HD22 
3155 H HD23 . LEU B 116 ? 0.211 0.230 0.212 0.002  0.005  -0.015 97  LEU BBB HD23 
3156 N N    . HIS B 117 ? 0.207 0.219 0.211 0.004  0.016  -0.011 98  HIS BBB N    
3157 C CA   . HIS B 117 ? 0.214 0.222 0.218 0.005  0.021  -0.009 98  HIS BBB CA   
3158 C C    . HIS B 117 ? 0.207 0.217 0.218 0.004  0.022  -0.010 98  HIS BBB C    
3159 O O    . HIS B 117 ? 0.206 0.212 0.216 0.005  0.025  -0.009 98  HIS BBB O    
3160 C CB   . HIS B 117 ? 0.208 0.216 0.214 0.005  0.023  -0.008 98  HIS BBB CB   
3161 C CG   . HIS B 117 ? 0.219 0.223 0.226 0.006  0.028  -0.007 98  HIS BBB CG   
3162 N ND1  . HIS B 117 ? 0.247 0.244 0.248 0.008  0.031  -0.006 98  HIS BBB ND1  
3163 C CD2  . HIS B 117 ? 0.213 0.219 0.228 0.006  0.031  -0.007 98  HIS BBB CD2  
3164 C CE1  . HIS B 117 ? 0.235 0.230 0.239 0.009  0.036  -0.005 98  HIS BBB CE1  
3165 N NE2  . HIS B 117 ? 0.245 0.245 0.259 0.007  0.035  -0.005 98  HIS BBB NE2  
3166 H H    . HIS B 117 ? 0.205 0.219 0.210 0.003  0.016  -0.011 98  HIS BBB H    
3167 H HA   . HIS B 117 ? 0.216 0.220 0.214 0.006  0.021  -0.009 98  HIS BBB HA   
3168 H HB2  . HIS B 117 ? 0.213 0.219 0.215 0.006  0.022  -0.008 98  HIS BBB HB2  
3169 H HB3  . HIS B 117 ? 0.207 0.219 0.218 0.004  0.022  -0.009 98  HIS BBB HB3  
3171 H HD2  . HIS B 117 ? 0.217 0.227 0.237 0.005  0.029  -0.007 98  HIS BBB HD2  
3172 H HE1  . HIS B 117 ? 0.247 0.238 0.248 0.010  0.039  -0.003 98  HIS BBB HE1  
3174 N N    . ARG B 118 ? 0.191 0.208 0.208 0.002  0.020  -0.011 99  ARG BBB N    
3175 C CA   . ARG B 118 ? 0.207 0.227 0.231 0.000  0.021  -0.013 99  ARG BBB CA   
3176 C C    . ARG B 118 ? 0.185 0.202 0.207 0.001  0.021  -0.013 99  ARG BBB C    
3177 O O    . ARG B 118 ? 0.172 0.188 0.198 0.001  0.024  -0.013 99  ARG BBB O    
3178 C CB   . ARG B 118 ? 0.216 0.244 0.245 -0.002 0.018  -0.015 99  ARG BBB CB   
3179 C CG   . ARG B 118 ? 0.235 0.266 0.271 -0.004 0.018  -0.018 99  ARG BBB CG   
3180 C CD   . ARG B 118 ? 0.259 0.297 0.298 -0.006 0.015  -0.020 99  ARG BBB CD   
3181 N NE   . ARG B 118 ? 0.287 0.329 0.330 -0.006 0.014  -0.019 99  ARG BBB NE   
3182 C CZ   . ARG B 118 ? 0.283 0.329 0.325 -0.006 0.012  -0.018 99  ARG BBB CZ   
3183 N NH1  . ARG B 118 ? 0.285 0.335 0.332 -0.006 0.012  -0.017 99  ARG BBB NH1  
3184 N NH2  . ARG B 118 ? 0.266 0.312 0.301 -0.005 0.010  -0.017 99  ARG BBB NH2  
3185 H H    . ARG B 118 ? 0.195 0.215 0.213 0.001  0.018  -0.012 99  ARG BBB H    
3186 H HA   . ARG B 118 ? 0.203 0.221 0.230 0.000  0.024  -0.012 99  ARG BBB HA   
3187 H HB2  . ARG B 118 ? 0.217 0.246 0.248 -0.002 0.018  -0.014 99  ARG BBB HB2  
3188 H HB3  . ARG B 118 ? 0.216 0.245 0.242 -0.002 0.015  -0.015 99  ARG BBB HB3  
3189 H HG2  . ARG B 118 ? 0.237 0.265 0.270 -0.003 0.018  -0.018 99  ARG BBB HG2  
3190 H HG3  . ARG B 118 ? 0.237 0.267 0.277 -0.004 0.021  -0.017 99  ARG BBB HG3  
3191 H HD2  . ARG B 118 ? 0.258 0.297 0.293 -0.006 0.013  -0.020 99  ARG BBB HD2  
3192 H HD3  . ARG B 118 ? 0.258 0.298 0.301 -0.007 0.016  -0.022 99  ARG BBB HD3  
3193 H HE   . ARG B 118 ? 0.280 0.322 0.327 -0.006 0.016  -0.020 99  ARG BBB HE   
3194 H HH11 . ARG B 118 ? 0.284 0.334 0.335 -0.006 0.013  -0.018 99  ARG BBB HH11 
3195 H HH12 . ARG B 118 ? 0.283 0.335 0.329 -0.005 0.010  -0.016 99  ARG BBB HH12 
3196 H HH21 . ARG B 118 ? 0.271 0.316 0.304 -0.005 0.010  -0.018 99  ARG BBB HH21 
3197 H HH22 . ARG B 118 ? 0.271 0.320 0.306 -0.005 0.008  -0.016 99  ARG BBB HH22 
3198 N N    . ALA B 119 ? 0.173 0.191 0.191 0.001  0.018  -0.014 100 ALA BBB N    
3199 C CA   . ALA B 119 ? 0.184 0.199 0.199 0.002  0.017  -0.014 100 ALA BBB CA   
3200 C C    . ALA B 119 ? 0.198 0.206 0.207 0.005  0.019  -0.011 100 ALA BBB C    
3201 O O    . ALA B 119 ? 0.210 0.217 0.220 0.006  0.019  -0.011 100 ALA BBB O    
3202 C CB   . ALA B 119 ? 0.184 0.202 0.197 0.002  0.013  -0.015 100 ALA BBB CB   
3203 H H    . ALA B 119 ? 0.176 0.196 0.192 0.001  0.016  -0.014 100 ALA BBB H    
3204 H HA   . ALA B 119 ? 0.183 0.200 0.203 0.001  0.018  -0.015 100 ALA BBB HA   
3205 H HB1  . ALA B 119 ? 0.184 0.202 0.197 0.002  0.013  -0.015 100 ALA BBB HB1  
3206 H HB2  . ALA B 119 ? 0.180 0.202 0.196 0.000  0.012  -0.016 100 ALA BBB HB2  
3207 H HB3  . ALA B 119 ? 0.184 0.201 0.193 0.002  0.012  -0.014 100 ALA BBB HB3  
3208 N N    . GLY B 120 ? 0.199 0.204 0.204 0.006  0.021  -0.009 101 GLY BBB N    
3209 C CA   . GLY B 120 ? 0.214 0.212 0.212 0.009  0.023  -0.006 101 GLY BBB CA   
3210 C C    . GLY B 120 ? 0.227 0.223 0.217 0.011  0.021  -0.006 101 GLY BBB C    
3211 O O    . GLY B 120 ? 0.231 0.223 0.214 0.013  0.021  -0.004 101 GLY BBB O    
3212 H H    . GLY B 120 ? 0.200 0.206 0.206 0.005  0.021  -0.009 101 GLY BBB H    
3213 H HA2  . GLY B 120 ? 0.217 0.213 0.216 0.009  0.027  -0.005 101 GLY BBB HA2  
3214 H HA3  . GLY B 120 ? 0.216 0.213 0.214 0.010  0.023  -0.006 101 GLY BBB HA3  
3215 N N    . ALA B 121 ? 0.230 0.229 0.219 0.009  0.018  -0.008 102 ALA BBB N    
3216 C CA   . ALA B 121 ? 0.249 0.246 0.231 0.010  0.017  -0.008 102 ALA BBB CA   
3217 C C    . ALA B 121 ? 0.262 0.253 0.239 0.012  0.021  -0.006 102 ALA BBB C    
3218 O O    . ALA B 121 ? 0.282 0.273 0.263 0.011  0.024  -0.006 102 ALA BBB O    
3219 C CB   . ALA B 121 ? 0.236 0.237 0.221 0.008  0.014  -0.010 102 ALA BBB CB   
3220 H H    . ALA B 121 ? 0.227 0.229 0.221 0.008  0.018  -0.009 102 ALA BBB H    
3221 H HA   . ALA B 121 ? 0.249 0.244 0.226 0.011  0.014  -0.008 102 ALA BBB HA   
3222 H HB1  . ALA B 121 ? 0.242 0.241 0.222 0.009  0.012  -0.011 102 ALA BBB HB1  
3223 H HB2  . ALA B 121 ? 0.234 0.238 0.223 0.007  0.012  -0.011 102 ALA BBB HB2  
3224 H HB3  . ALA B 121 ? 0.237 0.238 0.224 0.008  0.016  -0.010 102 ALA BBB HB3  
3225 N N    . ARG B 122 ? 0.284 0.270 0.251 0.015  0.021  -0.005 103 ARG BBB N    
3226 C CA   . ARG B 122 ? 0.334 0.314 0.293 0.017  0.025  -0.004 103 ARG BBB CA   
3227 C C    . ARG B 122 ? 0.326 0.306 0.283 0.016  0.025  -0.006 103 ARG BBB C    
3228 O O    . ARG B 122 ? 0.309 0.291 0.265 0.015  0.020  -0.008 103 ARG BBB O    
3229 C CB   . ARG B 122 ? 0.381 0.356 0.329 0.020  0.024  -0.002 103 ARG BBB CB   
3230 C CG   . ARG B 122 ? 0.449 0.424 0.401 0.021  0.025  0.001  103 ARG BBB CG   
3231 C CD   . ARG B 122 ? 0.566 0.536 0.505 0.025  0.025  0.003  103 ARG BBB CD   
3232 N NE   . ARG B 122 ? 0.691 0.655 0.624 0.026  0.030  0.005  103 ARG BBB NE   
3233 C CZ   . ARG B 122 ? 0.824 0.784 0.755 0.028  0.036  0.009  103 ARG BBB CZ   
3234 N NH1  . ARG B 122 ? 0.835 0.795 0.770 0.030  0.036  0.012  103 ARG BBB NH1  
3235 N NH2  . ARG B 122 ? 0.825 0.778 0.750 0.030  0.042  0.011  103 ARG BBB NH2  
3236 H H    . ARG B 122 ? 0.292 0.278 0.256 0.015  0.018  -0.005 103 ARG BBB H    
3237 H HA   . ARG B 122 ? 0.330 0.309 0.293 0.016  0.029  -0.002 103 ARG BBB HA   
3238 H HB2  . ARG B 122 ? 0.387 0.364 0.332 0.020  0.020  -0.004 103 ARG BBB HB2  
3239 H HB3  . ARG B 122 ? 0.394 0.365 0.337 0.021  0.027  -0.001 103 ARG BBB HB3  
3240 H HG2  . ARG B 122 ? 0.453 0.427 0.408 0.021  0.030  0.002  103 ARG BBB HG2  
3241 H HG3  . ARG B 122 ? 0.446 0.425 0.403 0.020  0.023  -0.000 103 ARG BBB HG3  
3242 H HD2  . ARG B 122 ? 0.564 0.535 0.506 0.026  0.025  0.005  103 ARG BBB HD2  
3243 H HD3  . ARG B 122 ? 0.563 0.535 0.498 0.025  0.020  0.001  103 ARG BBB HD3  
3244 H HE   . ARG B 122 ? 0.692 0.655 0.623 0.026  0.031  0.003  103 ARG BBB HE   
3245 H HH11 . ARG B 122 ? 0.817 0.780 0.755 0.029  0.032  0.011  103 ARG BBB HH11 
3246 H HH12 . ARG B 122 ? 0.827 0.782 0.760 0.031  0.040  0.015  103 ARG BBB HH12 
3247 H HH21 . ARG B 122 ? 0.820 0.774 0.743 0.029  0.042  0.009  103 ARG BBB HH21 
3248 H HH22 . ARG B 122 ? 0.825 0.776 0.749 0.031  0.046  0.014  103 ARG BBB HH22 
3249 N N    . LEU B 123 ? 0.338 0.315 0.296 0.016  0.030  -0.005 104 LEU BBB N    
3250 C CA   . LEU B 123 ? 0.374 0.350 0.332 0.015  0.030  -0.007 104 LEU BBB CA   
3251 C C    . LEU B 123 ? 0.410 0.380 0.356 0.018  0.032  -0.008 104 LEU BBB C    
3252 O O    . LEU B 123 ? 0.443 0.411 0.386 0.017  0.032  -0.010 104 LEU BBB O    
3253 C CB   . LEU B 123 ? 0.365 0.343 0.332 0.014  0.035  -0.006 104 LEU BBB CB   
3254 C CG   . LEU B 123 ? 0.346 0.330 0.325 0.012  0.033  -0.006 104 LEU BBB CG   
3255 C CD1  . LEU B 123 ? 0.342 0.328 0.330 0.011  0.037  -0.005 104 LEU BBB CD1  
3256 C CD2  . LEU B 123 ? 0.345 0.334 0.326 0.010  0.027  -0.008 104 LEU BBB CD2  
3257 H H    . LEU B 123 ? 0.344 0.320 0.305 0.016  0.033  -0.004 104 LEU BBB H    
3258 H HA   . LEU B 123 ? 0.366 0.345 0.326 0.014  0.027  -0.009 104 LEU BBB HA   
3259 H HB2  . LEU B 123 ? 0.368 0.343 0.334 0.016  0.039  -0.004 104 LEU BBB HB2  
3260 H HB3  . LEU B 123 ? 0.365 0.342 0.332 0.014  0.036  -0.007 104 LEU BBB HB3  
3261 H HG   . LEU B 123 ? 0.348 0.333 0.328 0.012  0.033  -0.005 104 LEU BBB HG   
3262 H HD11 . LEU B 123 ? 0.346 0.329 0.334 0.012  0.040  -0.004 104 LEU BBB HD11 
3263 H HD12 . LEU B 123 ? 0.336 0.327 0.331 0.010  0.035  -0.005 104 LEU BBB HD12 
3264 H HD13 . LEU B 123 ? 0.344 0.329 0.330 0.012  0.037  -0.006 104 LEU BBB HD13 
3265 H HD21 . LEU B 123 ? 0.346 0.333 0.324 0.011  0.027  -0.009 104 LEU BBB HD21 
3266 H HD22 . LEU B 123 ? 0.338 0.331 0.325 0.009  0.027  -0.008 104 LEU BBB HD22 
3267 H HD23 . LEU B 123 ? 0.344 0.333 0.322 0.011  0.025  -0.008 104 LEU BBB HD23 
3268 N N    . ASP B 124 ? 0.451 0.416 0.388 0.020  0.034  -0.006 105 ASP BBB N    
3269 C CA   . ASP B 124 ? 0.494 0.452 0.417 0.023  0.036  -0.006 105 ASP BBB CA   
3270 C C    . ASP B 124 ? 0.480 0.438 0.393 0.024  0.030  -0.008 105 ASP BBB C    
3271 O O    . ASP B 124 ? 0.567 0.521 0.468 0.026  0.031  -0.007 105 ASP BBB O    
3272 C CB   . ASP B 124 ? 0.596 0.550 0.516 0.025  0.042  -0.001 105 ASP BBB CB   
3273 C CG   . ASP B 124 ? 0.670 0.627 0.595 0.025  0.039  0.001  105 ASP BBB CG   
3274 O OD1  . ASP B 124 ? 0.710 0.668 0.629 0.026  0.034  0.001  105 ASP BBB OD1  
3275 O OD2  . ASP B 124 ? 0.814 0.773 0.750 0.024  0.043  0.003  105 ASP BBB OD2  
3276 H H    . ASP B 124 ? 0.448 0.414 0.387 0.020  0.033  -0.004 105 ASP BBB H    
3277 H HA   . ASP B 124 ? 0.502 0.459 0.425 0.022  0.039  -0.007 105 ASP BBB HA   
3278 H HB2  . ASP B 124 ? 0.598 0.548 0.507 0.027  0.042  -0.001 105 ASP BBB HB2  
3279 H HB3  . ASP B 124 ? 0.587 0.540 0.512 0.025  0.046  -0.000 105 ASP BBB HB3  
3280 N N    . VAL B 125 ? 0.448 0.412 0.367 0.022  0.024  -0.010 106 VAL BBB N    
3281 C CA   . VAL B 125 ? 0.457 0.422 0.369 0.022  0.017  -0.012 106 VAL BBB CA   
3282 C C    . VAL B 125 ? 0.442 0.405 0.349 0.021  0.016  -0.017 106 VAL BBB C    
3283 O O    . VAL B 125 ? 0.436 0.400 0.350 0.019  0.018  -0.019 106 VAL BBB O    
3284 C CB   . VAL B 125 ? 0.476 0.448 0.398 0.020  0.012  -0.013 106 VAL BBB CB   
3285 C CG1  . VAL B 125 ? 0.485 0.458 0.410 0.021  0.013  -0.009 106 VAL BBB CG1  
3286 C CG2  . VAL B 125 ? 0.451 0.427 0.385 0.017  0.013  -0.014 106 VAL BBB CG2  
3287 H H    . VAL B 125 ? 0.446 0.414 0.374 0.020  0.024  -0.010 106 VAL BBB H    
3288 H HA   . VAL B 125 ? 0.465 0.428 0.370 0.024  0.017  -0.011 106 VAL BBB HA   
3289 H HB   . VAL B 125 ? 0.472 0.445 0.391 0.020  0.008  -0.015 106 VAL BBB HB   
3290 H HG11 . VAL B 125 ? 0.489 0.460 0.406 0.024  0.012  -0.008 106 VAL BBB HG11 
3291 H HG12 . VAL B 125 ? 0.475 0.452 0.406 0.020  0.010  -0.009 106 VAL BBB HG12 
3292 H HG13 . VAL B 125 ? 0.479 0.452 0.408 0.021  0.017  -0.007 106 VAL BBB HG13 
3293 H HG21 . VAL B 125 ? 0.451 0.427 0.390 0.017  0.016  -0.012 106 VAL BBB HG21 
3294 H HG22 . VAL B 125 ? 0.449 0.430 0.389 0.016  0.009  -0.015 106 VAL BBB HG22 
3295 H HG23 . VAL B 125 ? 0.456 0.431 0.390 0.016  0.013  -0.016 106 VAL BBB HG23 
3296 N N    . ARG B 126 ? 0.461 0.423 0.357 0.023  0.012  -0.019 107 ARG BBB N    
3297 C CA   . ARG B 126 ? 0.486 0.446 0.376 0.022  0.010  -0.025 107 ARG BBB CA   
3298 C C    . ARG B 126 ? 0.460 0.425 0.353 0.020  0.002  -0.028 107 ARG BBB C    
3299 O O    . ARG B 126 ? 0.525 0.493 0.415 0.022  -0.002 -0.026 107 ARG BBB O    
3300 C CB   . ARG B 126 ? 0.549 0.503 0.424 0.025  0.013  -0.025 107 ARG BBB CB   
3301 C CG   . ARG B 126 ? 0.572 0.520 0.446 0.026  0.021  -0.023 107 ARG BBB CG   
3302 C CD   . ARG B 126 ? 0.628 0.569 0.487 0.028  0.024  -0.024 107 ARG BBB CD   
3303 N NE   . ARG B 126 ? 0.624 0.559 0.482 0.029  0.033  -0.022 107 ARG BBB NE   
3304 C CZ   . ARG B 126 ? 0.629 0.562 0.491 0.028  0.038  -0.024 107 ARG BBB CZ   
3305 N NH1  . ARG B 126 ? 0.632 0.566 0.498 0.025  0.036  -0.029 107 ARG BBB NH1  
3306 N NH2  . ARG B 126 ? 0.663 0.592 0.526 0.029  0.046  -0.020 107 ARG BBB NH2  
3307 H H    . ARG B 126 ? 0.468 0.429 0.358 0.025  0.011  -0.017 107 ARG BBB H    
3308 H HA   . ARG B 126 ? 0.481 0.441 0.378 0.020  0.012  -0.026 107 ARG BBB HA   
3309 H HB2  . ARG B 126 ? 0.548 0.501 0.416 0.027  0.010  -0.024 107 ARG BBB HB2  
3310 H HB3  . ARG B 126 ? 0.547 0.500 0.419 0.024  0.011  -0.030 107 ARG BBB HB3  
3311 H HG2  . ARG B 126 ? 0.569 0.518 0.452 0.024  0.023  -0.024 107 ARG BBB HG2  
3312 H HG3  . ARG B 126 ? 0.573 0.522 0.450 0.027  0.023  -0.019 107 ARG BBB HG3  
3313 H HD2  . ARG B 126 ? 0.624 0.565 0.474 0.030  0.022  -0.023 107 ARG BBB HD2  
3314 H HD3  . ARG B 126 ? 0.620 0.561 0.477 0.027  0.023  -0.029 107 ARG BBB HD3  
3315 H HE   . ARG B 126 ? 0.629 0.564 0.486 0.031  0.036  -0.018 107 ARG BBB HE   
3316 H HH11 . ARG B 126 ? 0.630 0.566 0.495 0.024  0.031  -0.031 107 ARG BBB HH11 
3317 H HH12 . ARG B 126 ? 0.631 0.563 0.500 0.025  0.040  -0.030 107 ARG BBB HH12 
3318 H HH21 . ARG B 126 ? 0.653 0.581 0.514 0.031  0.048  -0.017 107 ARG BBB HH21 
3319 H HH22 . ARG B 126 ? 0.651 0.579 0.518 0.028  0.050  -0.022 107 ARG BBB HH22 
3320 N N    . ASP B 127 ? 0.461 0.428 0.360 0.018  0.000  -0.032 108 ASP BBB N    
3321 C CA   . ASP B 127 ? 0.498 0.469 0.400 0.016  -0.007 -0.036 108 ASP BBB CA   
3322 C C    . ASP B 127 ? 0.569 0.539 0.458 0.017  -0.011 -0.040 108 ASP BBB C    
3323 O O    . ASP B 127 ? 0.542 0.506 0.418 0.020  -0.008 -0.040 108 ASP BBB O    
3324 C CB   . ASP B 127 ? 0.488 0.462 0.402 0.012  -0.006 -0.039 108 ASP BBB CB   
3325 C CG   . ASP B 127 ? 0.542 0.511 0.454 0.011  -0.003 -0.043 108 ASP BBB CG   
3326 O OD1  . ASP B 127 ? 0.604 0.567 0.504 0.013  -0.001 -0.044 108 ASP BBB OD1  
3327 O OD2  . ASP B 127 ? 0.516 0.486 0.438 0.008  -0.003 -0.045 108 ASP BBB OD2  
3328 H H    . ASP B 127 ? 0.467 0.432 0.369 0.016  0.003  -0.033 108 ASP BBB H    
3329 H HA   . ASP B 127 ? 0.495 0.471 0.401 0.016  -0.009 -0.034 108 ASP BBB HA   
3330 H HB2  . ASP B 127 ? 0.497 0.475 0.415 0.011  -0.011 -0.041 108 ASP BBB HB2  
3331 H HB3  . ASP B 127 ? 0.491 0.466 0.412 0.012  -0.004 -0.036 108 ASP BBB HB3  
3332 N N    . ALA B 128 ? 0.593 0.567 0.485 0.016  -0.017 -0.045 109 ALA BBB N    
3333 C CA   . ALA B 128 ? 0.653 0.626 0.533 0.017  -0.023 -0.050 109 ALA BBB CA   
3334 C C    . ALA B 128 ? 0.676 0.642 0.546 0.017  -0.019 -0.054 109 ALA BBB C    
3335 O O    . ALA B 128 ? 0.762 0.725 0.616 0.020  -0.021 -0.055 109 ALA BBB O    
3336 C CB   . ALA B 128 ? 0.662 0.642 0.551 0.014  -0.030 -0.054 109 ALA BBB CB   
3337 H H    . ALA B 128 ? 0.590 0.567 0.491 0.014  -0.019 -0.046 109 ALA BBB H    
3338 H HA   . ALA B 128 ? 0.653 0.627 0.526 0.020  -0.024 -0.047 109 ALA BBB HA   
3339 H HB1  . ALA B 128 ? 0.668 0.648 0.549 0.015  -0.034 -0.058 109 ALA BBB HB1  
3340 H HB2  . ALA B 128 ? 0.652 0.636 0.546 0.015  -0.033 -0.052 109 ALA BBB HB2  
3341 H HB3  . ALA B 128 ? 0.653 0.632 0.549 0.012  -0.028 -0.056 109 ALA BBB HB3  
3342 N N    . TRP B 129 ? 0.681 0.644 0.558 0.015  -0.013 -0.055 110 TRP BBB N    
3343 C CA   . TRP B 129 ? 0.684 0.640 0.554 0.014  -0.009 -0.059 110 TRP BBB CA   
3344 C C    . TRP B 129 ? 0.668 0.618 0.533 0.016  -0.000 -0.054 110 TRP BBB C    
3345 O O    . TRP B 129 ? 0.703 0.648 0.569 0.016  0.005  -0.057 110 TRP BBB O    
3346 C CB   . TRP B 129 ? 0.739 0.696 0.623 0.010  -0.008 -0.063 110 TRP BBB CB   
3347 C CG   . TRP B 129 ? 0.825 0.787 0.715 0.007  -0.015 -0.068 110 TRP BBB CG   
3348 C CD1  . TRP B 129 ? 0.900 0.861 0.784 0.006  -0.019 -0.076 110 TRP BBB CD1  
3349 C CD2  . TRP B 129 ? 0.910 0.879 0.814 0.006  -0.019 -0.066 110 TRP BBB CD2  
3350 N NE1  . TRP B 129 ? 0.967 0.935 0.862 0.004  -0.026 -0.079 110 TRP BBB NE1  
3351 C CE2  . TRP B 129 ? 0.949 0.922 0.856 0.003  -0.025 -0.073 110 TRP BBB CE2  
3352 C CE3  . TRP B 129 ? 0.904 0.876 0.818 0.006  -0.017 -0.060 110 TRP BBB CE3  
3353 C CZ2  . TRP B 129 ? 0.962 0.941 0.882 0.001  -0.029 -0.073 110 TRP BBB CZ2  
3354 C CZ3  . TRP B 129 ? 0.896 0.875 0.821 0.003  -0.021 -0.060 110 TRP BBB CZ3  
3355 C CH2  . TRP B 129 ? 0.951 0.933 0.880 0.001  -0.027 -0.066 110 TRP BBB CH2  
3356 H H    . TRP B 129 ? 0.666 0.631 0.554 0.013  -0.012 -0.053 110 TRP BBB H    
3357 H HA   . TRP B 129 ? 0.704 0.659 0.565 0.015  -0.012 -0.063 110 TRP BBB HA   
3358 H HB2  . TRP B 129 ? 0.733 0.691 0.625 0.010  -0.005 -0.060 110 TRP BBB HB2  
3359 H HB3  . TRP B 129 ? 0.750 0.702 0.629 0.010  -0.004 -0.066 110 TRP BBB HB3  
3360 H HD1  . TRP B 129 ? 0.916 0.873 0.791 0.007  -0.018 -0.079 110 TRP BBB HD1  
3361 H HE1  . TRP B 129 ? 0.951 0.920 0.845 0.002  -0.029 -0.084 110 TRP BBB HE1  
3362 H HE3  . TRP B 129 ? 0.897 0.868 0.810 0.007  -0.013 -0.056 110 TRP BBB HE3  
3363 H HZ2  . TRP B 129 ? 0.951 0.933 0.874 -0.001 -0.033 -0.077 110 TRP BBB HZ2  
3364 H HZ3  . TRP B 129 ? 0.895 0.876 0.827 0.003  -0.020 -0.056 110 TRP BBB HZ3  
3365 H HH2  . TRP B 129 ? 0.924 0.911 0.862 -0.000 -0.029 -0.066 110 TRP BBB HH2  
3366 N N    . GLY B 130 ? 0.658 0.609 0.521 0.019  0.000  -0.048 111 GLY BBB N    
3367 C CA   . GLY B 130 ? 0.609 0.556 0.468 0.021  0.008  -0.043 111 GLY BBB CA   
3368 C C    . GLY B 130 ? 0.586 0.532 0.459 0.019  0.014  -0.041 111 GLY BBB C    
3369 O O    . GLY B 130 ? 0.606 0.547 0.476 0.021  0.021  -0.039 111 GLY BBB O    
3370 H H    . GLY B 130 ? 0.645 0.601 0.509 0.020  -0.004 -0.047 111 GLY BBB H    
3371 H HA2  . GLY B 130 ? 0.617 0.566 0.475 0.023  0.008  -0.039 111 GLY BBB HA2  
3372 H HA3  . GLY B 130 ? 0.636 0.578 0.485 0.023  0.011  -0.045 111 GLY BBB HA3  
3373 N N    . ARG B 131 ? 0.555 0.507 0.443 0.017  0.012  -0.041 112 ARG BBB N    
3374 C CA   . ARG B 131 ? 0.519 0.472 0.420 0.015  0.017  -0.038 112 ARG BBB CA   
3375 C C    . ARG B 131 ? 0.456 0.413 0.364 0.016  0.018  -0.032 112 ARG BBB C    
3376 O O    . ARG B 131 ? 0.415 0.376 0.324 0.016  0.013  -0.031 112 ARG BBB O    
3377 C CB   . ARG B 131 ? 0.539 0.494 0.450 0.012  0.015  -0.041 112 ARG BBB CB   
3378 C CG   . ARG B 131 ? 0.592 0.541 0.498 0.011  0.017  -0.047 112 ARG BBB CG   
3379 C CD   . ARG B 131 ? 0.598 0.550 0.516 0.008  0.014  -0.051 112 ARG BBB CD   
3380 N NE   . ARG B 131 ? 0.609 0.566 0.528 0.007  0.007  -0.052 112 ARG BBB NE   
3381 C CZ   . ARG B 131 ? 0.596 0.557 0.525 0.004  0.004  -0.054 112 ARG BBB CZ   
3382 N NH1  . ARG B 131 ? 0.597 0.555 0.534 0.002  0.008  -0.056 112 ARG BBB NH1  
3383 N NH2  . ARG B 131 ? 0.635 0.601 0.567 0.003  -0.002 -0.055 112 ARG BBB NH2  
3384 H H    . ARG B 131 ? 0.550 0.506 0.441 0.016  0.007  -0.042 112 ARG BBB H    
3385 H HA   . ARG B 131 ? 0.523 0.471 0.420 0.016  0.022  -0.038 112 ARG BBB HA   
3386 H HB2  . ARG B 131 ? 0.539 0.498 0.453 0.011  0.011  -0.042 112 ARG BBB HB2  
3387 H HB3  . ARG B 131 ? 0.534 0.490 0.454 0.011  0.018  -0.039 112 ARG BBB HB3  
3388 H HG2  . ARG B 131 ? 0.586 0.532 0.493 0.012  0.022  -0.046 112 ARG BBB HG2  
3389 H HG3  . ARG B 131 ? 0.593 0.541 0.490 0.012  0.014  -0.050 112 ARG BBB HG3  
3390 H HD2  . ARG B 131 ? 0.591 0.544 0.517 0.007  0.017  -0.048 112 ARG BBB HD2  
3391 H HD3  . ARG B 131 ? 0.606 0.554 0.520 0.008  0.015  -0.055 112 ARG BBB HD3  
3392 H HE   . ARG B 131 ? 0.604 0.564 0.520 0.008  0.005  -0.050 112 ARG BBB HE   
3393 H HH11 . ARG B 131 ? 0.601 0.555 0.536 0.003  0.012  -0.056 112 ARG BBB HH11 
3394 H HH12 . ARG B 131 ? 0.596 0.555 0.539 0.000  0.006  -0.058 112 ARG BBB HH12 
3395 H HH21 . ARG B 131 ? 0.621 0.589 0.548 0.005  -0.004 -0.053 112 ARG BBB HH21 
3396 H HH22 . ARG B 131 ? 0.617 0.586 0.556 0.001  -0.003 -0.057 112 ARG BBB HH22 
3397 N N    . LEU B 132 ? 0.429 0.384 0.341 0.016  0.024  -0.029 113 LEU BBB N    
3398 C CA   . LEU B 132 ? 0.417 0.375 0.338 0.016  0.026  -0.024 113 LEU BBB CA   
3399 C C    . LEU B 132 ? 0.385 0.348 0.319 0.014  0.025  -0.024 113 LEU BBB C    
3400 O O    . LEU B 132 ? 0.346 0.308 0.283 0.012  0.025  -0.027 113 LEU BBB O    
3401 C CB   . LEU B 132 ? 0.423 0.377 0.344 0.018  0.033  -0.021 113 LEU BBB CB   
3402 C CG   . LEU B 132 ? 0.459 0.408 0.367 0.021  0.037  -0.020 113 LEU BBB CG   
3403 C CD1  . LEU B 132 ? 0.482 0.427 0.394 0.022  0.045  -0.017 113 LEU BBB CD1  
3404 C CD2  . LEU B 132 ? 0.468 0.419 0.375 0.022  0.034  -0.017 113 LEU BBB CD2  
3405 H H    . LEU B 132 ? 0.441 0.391 0.349 0.017  0.028  -0.030 113 LEU BBB H    
3406 H HA   . LEU B 132 ? 0.412 0.373 0.332 0.017  0.024  -0.023 113 LEU BBB HA   
3407 H HB2  . LEU B 132 ? 0.429 0.382 0.352 0.017  0.036  -0.023 113 LEU BBB HB2  
3408 H HB3  . LEU B 132 ? 0.420 0.377 0.349 0.017  0.034  -0.019 113 LEU BBB HB3  
3409 H HG   . LEU B 132 ? 0.468 0.414 0.369 0.021  0.036  -0.023 113 LEU BBB HG   
3410 H HD11 . LEU B 132 ? 0.477 0.420 0.390 0.021  0.047  -0.019 113 LEU BBB HD11 
3411 H HD12 . LEU B 132 ? 0.484 0.425 0.387 0.024  0.047  -0.016 113 LEU BBB HD12 
3412 H HD13 . LEU B 132 ? 0.467 0.416 0.388 0.021  0.045  -0.015 113 LEU BBB HD13 
3413 H HD21 . LEU B 132 ? 0.456 0.411 0.372 0.021  0.034  -0.015 113 LEU BBB HD21 
3414 H HD22 . LEU B 132 ? 0.472 0.420 0.372 0.024  0.037  -0.015 113 LEU BBB HD22 
3415 H HD23 . LEU B 132 ? 0.465 0.419 0.369 0.022  0.029  -0.018 113 LEU BBB HD23 
3416 N N    . PRO B 133 ? 0.354 0.323 0.297 0.013  0.023  -0.021 114 PRO BBB N    
3417 C CA   . PRO B 133 ? 0.341 0.315 0.296 0.011  0.023  -0.020 114 PRO BBB CA   
3418 C C    . PRO B 133 ? 0.339 0.310 0.299 0.011  0.028  -0.020 114 PRO BBB C    
3419 O O    . PRO B 133 ? 0.326 0.298 0.291 0.010  0.027  -0.021 114 PRO BBB O    
3420 C CB   . PRO B 133 ? 0.331 0.310 0.292 0.011  0.022  -0.017 114 PRO BBB CB   
3421 C CG   . PRO B 133 ? 0.325 0.302 0.277 0.012  0.020  -0.017 114 PRO BBB CG   
3422 C CD   . PRO B 133 ? 0.347 0.317 0.288 0.014  0.022  -0.018 114 PRO BBB CD   
3423 H HA   . PRO B 133 ? 0.339 0.315 0.295 0.010  0.020  -0.022 114 PRO BBB HA   
3424 H HB2  . PRO B 133 ? 0.328 0.306 0.291 0.011  0.025  -0.015 114 PRO BBB HB2  
3425 H HB3  . PRO B 133 ? 0.323 0.305 0.289 0.009  0.020  -0.017 114 PRO BBB HB3  
3426 H HG2  . PRO B 133 ? 0.328 0.306 0.281 0.013  0.021  -0.015 114 PRO BBB HG2  
3427 H HG3  . PRO B 133 ? 0.328 0.308 0.280 0.011  0.016  -0.018 114 PRO BBB HG3  
3428 H HD2  . PRO B 133 ? 0.349 0.317 0.288 0.015  0.026  -0.016 114 PRO BBB HD2  
3429 H HD3  . PRO B 133 ? 0.351 0.320 0.285 0.015  0.020  -0.019 114 PRO BBB HD3  
3430 N N    . VAL B 134 ? 0.362 0.330 0.320 0.013  0.033  -0.018 115 VAL BBB N    
3431 C CA   . VAL B 134 ? 0.367 0.333 0.331 0.013  0.038  -0.017 115 VAL BBB CA   
3432 C C    . VAL B 134 ? 0.358 0.319 0.318 0.013  0.039  -0.021 115 VAL BBB C    
3433 O O    . VAL B 134 ? 0.371 0.332 0.339 0.012  0.041  -0.021 115 VAL BBB O    
3434 C CB   . VAL B 134 ? 0.381 0.345 0.344 0.015  0.044  -0.015 115 VAL BBB CB   
3435 C CG1  . VAL B 134 ? 0.394 0.350 0.344 0.017  0.046  -0.017 115 VAL BBB CG1  
3436 C CG2  . VAL B 134 ? 0.416 0.379 0.388 0.015  0.048  -0.014 115 VAL BBB CG2  
3437 H H    . VAL B 134 ? 0.361 0.328 0.315 0.014  0.034  -0.017 115 VAL BBB H    
3438 H HA   . VAL B 134 ? 0.358 0.328 0.330 0.012  0.037  -0.016 115 VAL BBB HA   
3439 H HB   . VAL B 134 ? 0.382 0.348 0.347 0.015  0.043  -0.013 115 VAL BBB HB   
3440 H HG11 . VAL B 134 ? 0.396 0.352 0.340 0.016  0.043  -0.018 115 VAL BBB HG11 
3441 H HG12 . VAL B 134 ? 0.396 0.351 0.345 0.018  0.050  -0.015 115 VAL BBB HG12 
3442 H HG13 . VAL B 134 ? 0.399 0.352 0.347 0.017  0.049  -0.019 115 VAL BBB HG13 
3443 H HG21 . VAL B 134 ? 0.408 0.369 0.379 0.015  0.050  -0.015 115 VAL BBB HG21 
3444 H HG22 . VAL B 134 ? 0.406 0.368 0.380 0.016  0.052  -0.012 115 VAL BBB HG22 
3445 H HG23 . VAL B 134 ? 0.396 0.365 0.377 0.014  0.046  -0.012 115 VAL BBB HG23 
3446 N N    . ASP B 135 ? 0.389 0.346 0.338 0.013  0.038  -0.025 116 ASP BBB N    
3447 C CA   . ASP B 135 ? 0.412 0.364 0.356 0.013  0.038  -0.029 116 ASP BBB CA   
3448 C C    . ASP B 135 ? 0.394 0.349 0.347 0.010  0.034  -0.031 116 ASP BBB C    
3449 O O    . ASP B 135 ? 0.358 0.310 0.315 0.010  0.037  -0.033 116 ASP BBB O    
3450 C CB   . ASP B 135 ? 0.450 0.398 0.380 0.013  0.035  -0.033 116 ASP BBB CB   
3451 C CG   . ASP B 135 ? 0.516 0.460 0.435 0.016  0.039  -0.032 116 ASP BBB CG   
3452 O OD1  . ASP B 135 ? 0.511 0.452 0.433 0.017  0.045  -0.029 116 ASP BBB OD1  
3453 O OD2  . ASP B 135 ? 0.520 0.463 0.427 0.017  0.035  -0.033 116 ASP BBB OD2  
3454 H H    . ASP B 135 ? 0.389 0.346 0.332 0.014  0.036  -0.024 116 ASP BBB H    
3455 H HA   . ASP B 135 ? 0.415 0.364 0.360 0.014  0.043  -0.029 116 ASP BBB HA   
3456 H HB2  . ASP B 135 ? 0.452 0.404 0.382 0.013  0.030  -0.033 116 ASP BBB HB2  
3457 H HB3  . ASP B 135 ? 0.461 0.406 0.389 0.013  0.035  -0.037 116 ASP BBB HB3  
3458 N N    . LEU B 136 ? 0.385 0.346 0.340 0.009  0.029  -0.030 117 LEU BBB N    
3459 C CA   . LEU B 136 ? 0.369 0.333 0.332 0.007  0.026  -0.031 117 LEU BBB CA   
3460 C C    . LEU B 136 ? 0.347 0.313 0.321 0.007  0.029  -0.027 117 LEU BBB C    
3461 O O    . LEU B 136 ? 0.342 0.307 0.322 0.006  0.030  -0.029 117 LEU BBB O    
3462 C CB   . LEU B 136 ? 0.377 0.346 0.340 0.006  0.020  -0.031 117 LEU BBB CB   
3463 C CG   . LEU B 136 ? 0.426 0.394 0.378 0.006  0.016  -0.034 117 LEU BBB CG   
3464 C CD1  . LEU B 136 ? 0.458 0.432 0.412 0.006  0.011  -0.033 117 LEU BBB CD1  
3465 C CD2  . LEU B 136 ? 0.435 0.400 0.385 0.005  0.015  -0.040 117 LEU BBB CD2  
3466 H H    . LEU B 136 ? 0.381 0.344 0.334 0.010  0.027  -0.028 117 LEU BBB H    
3467 H HA   . LEU B 136 ? 0.377 0.337 0.337 0.006  0.026  -0.035 117 LEU BBB HA   
3468 H HB2  . LEU B 136 ? 0.377 0.350 0.343 0.006  0.020  -0.027 117 LEU BBB HB2  
3469 H HB3  . LEU B 136 ? 0.379 0.351 0.348 0.004  0.019  -0.031 117 LEU BBB HB3  
3470 H HG   . LEU B 136 ? 0.429 0.394 0.375 0.008  0.018  -0.033 117 LEU BBB HG   
3471 H HD11 . LEU B 136 ? 0.441 0.417 0.397 0.007  0.012  -0.029 117 LEU BBB HD11 
3472 H HD12 . LEU B 136 ? 0.451 0.424 0.398 0.007  0.009  -0.034 117 LEU BBB HD12 
3473 H HD13 . LEU B 136 ? 0.441 0.418 0.401 0.004  0.010  -0.033 117 LEU BBB HD13 
3474 H HD21 . LEU B 136 ? 0.431 0.397 0.388 0.003  0.014  -0.040 117 LEU BBB HD21 
3475 H HD22 . LEU B 136 ? 0.439 0.404 0.383 0.005  0.012  -0.042 117 LEU BBB HD22 
3476 H HD23 . LEU B 136 ? 0.441 0.401 0.388 0.006  0.018  -0.041 117 LEU BBB HD23 
3477 N N    . ALA B 137 ? 0.330 0.299 0.308 0.008  0.031  -0.023 118 ALA BBB N    
3478 C CA   . ALA B 137 ? 0.326 0.299 0.315 0.008  0.033  -0.019 118 ALA BBB CA   
3479 C C    . ALA B 137 ? 0.329 0.296 0.320 0.009  0.038  -0.020 118 ALA BBB C    
3480 O O    . ALA B 137 ? 0.319 0.287 0.318 0.009  0.039  -0.019 118 ALA BBB O    
3481 C CB   . ALA B 137 ? 0.296 0.272 0.286 0.009  0.033  -0.016 118 ALA BBB CB   
3482 H H    . ALA B 137 ? 0.334 0.303 0.308 0.009  0.031  -0.022 118 ALA BBB H    
3483 H HA   . ALA B 137 ? 0.316 0.291 0.309 0.007  0.031  -0.019 118 ALA BBB HA   
3484 H HB1  . ALA B 137 ? 0.299 0.279 0.297 0.009  0.034  -0.013 118 ALA BBB HB1  
3485 H HB2  . ALA B 137 ? 0.300 0.280 0.289 0.008  0.030  -0.016 118 ALA BBB HB2  
3486 H HB3  . ALA B 137 ? 0.307 0.281 0.294 0.010  0.036  -0.016 118 ALA BBB HB3  
3487 N N    . GLU B 138 ? 0.344 0.307 0.329 0.011  0.042  -0.021 119 GLU BBB N    
3488 C CA   . GLU B 138 ? 0.368 0.325 0.355 0.012  0.048  -0.022 119 GLU BBB CA   
3489 C C    . GLU B 138 ? 0.360 0.312 0.347 0.011  0.048  -0.026 119 GLU BBB C    
3490 O O    . GLU B 138 ? 0.360 0.310 0.355 0.011  0.052  -0.025 119 GLU BBB O    
3491 C CB   . GLU B 138 ? 0.415 0.367 0.393 0.014  0.052  -0.023 119 GLU BBB CB   
3492 C CG   . GLU B 138 ? 0.459 0.414 0.444 0.015  0.055  -0.018 119 GLU BBB CG   
3493 C CD   . GLU B 138 ? 0.521 0.473 0.499 0.017  0.059  -0.018 119 GLU BBB CD   
3494 O OE1  . GLU B 138 ? 0.574 0.520 0.539 0.017  0.060  -0.022 119 GLU BBB OE1  
3495 O OE2  . GLU B 138 ? 0.606 0.560 0.590 0.017  0.061  -0.015 119 GLU BBB OE2  
3496 H H    . GLU B 138 ? 0.349 0.310 0.327 0.011  0.041  -0.022 119 GLU BBB H    
3497 H HA   . GLU B 138 ? 0.365 0.324 0.360 0.013  0.049  -0.019 119 GLU BBB HA   
3498 H HB2  . GLU B 138 ? 0.418 0.369 0.388 0.013  0.049  -0.024 119 GLU BBB HB2  
3499 H HB3  . GLU B 138 ? 0.422 0.369 0.399 0.014  0.055  -0.025 119 GLU BBB HB3  
3500 H HG2  . GLU B 138 ? 0.457 0.413 0.449 0.016  0.057  -0.017 119 GLU BBB HG2  
3501 H HG3  . GLU B 138 ? 0.451 0.412 0.439 0.014  0.051  -0.016 119 GLU BBB HG3  
3502 N N    . GLU B 139 ? 0.387 0.337 0.366 0.010  0.045  -0.030 120 GLU BBB N    
3503 C CA   . GLU B 139 ? 0.434 0.379 0.411 0.008  0.045  -0.035 120 GLU BBB CA   
3504 C C    . GLU B 139 ? 0.386 0.334 0.376 0.007  0.044  -0.033 120 GLU BBB C    
3505 O O    . GLU B 139 ? 0.394 0.337 0.388 0.007  0.048  -0.036 120 GLU BBB O    
3506 C CB   . GLU B 139 ? 0.529 0.473 0.495 0.007  0.040  -0.040 120 GLU BBB CB   
3507 C CG   . GLU B 139 ? 0.652 0.595 0.621 0.005  0.038  -0.045 120 GLU BBB CG   
3508 C CD   . GLU B 139 ? 0.770 0.714 0.731 0.003  0.032  -0.050 120 GLU BBB CD   
3509 O OE1  . GLU B 139 ? 0.792 0.738 0.744 0.004  0.028  -0.049 120 GLU BBB OE1  
3510 O OE2  . GLU B 139 ? 0.797 0.739 0.759 0.001  0.030  -0.056 120 GLU BBB OE2  
3511 H H    . GLU B 139 ? 0.390 0.342 0.363 0.009  0.042  -0.030 120 GLU BBB H    
3512 H HA   . GLU B 139 ? 0.438 0.379 0.415 0.009  0.049  -0.037 120 GLU BBB HA   
3513 H HB2  . GLU B 139 ? 0.538 0.478 0.496 0.008  0.042  -0.043 120 GLU BBB HB2  
3514 H HB3  . GLU B 139 ? 0.524 0.473 0.489 0.007  0.037  -0.039 120 GLU BBB HB3  
3515 H HG2  . GLU B 139 ? 0.637 0.583 0.614 0.004  0.037  -0.043 120 GLU BBB HG2  
3516 H HG3  . GLU B 139 ? 0.651 0.589 0.620 0.005  0.041  -0.048 120 GLU BBB HG3  
3517 N N    . LEU B 140 ? 0.349 0.304 0.345 0.006  0.041  -0.029 121 LEU BBB N    
3518 C CA   . LEU B 140 ? 0.344 0.302 0.350 0.005  0.040  -0.026 121 LEU BBB CA   
3519 C C    . LEU B 140 ? 0.323 0.284 0.339 0.007  0.043  -0.020 121 LEU BBB C    
3520 O O    . LEU B 140 ? 0.335 0.297 0.358 0.007  0.043  -0.017 121 LEU BBB O    
3521 C CB   . LEU B 140 ? 0.363 0.327 0.369 0.004  0.034  -0.026 121 LEU BBB CB   
3522 C CG   . LEU B 140 ? 0.392 0.353 0.392 0.001  0.031  -0.032 121 LEU BBB CG   
3523 C CD1  . LEU B 140 ? 0.400 0.368 0.399 0.000  0.026  -0.031 121 LEU BBB CD1  
3524 C CD2  . LEU B 140 ? 0.416 0.373 0.422 -0.000 0.033  -0.034 121 LEU BBB CD2  
3525 H H    . LEU B 140 ? 0.352 0.310 0.345 0.007  0.039  -0.027 121 LEU BBB H    
3526 H HA   . LEU B 140 ? 0.351 0.305 0.358 0.005  0.042  -0.029 121 LEU BBB HA   
3527 H HB2  . LEU B 140 ? 0.358 0.325 0.361 0.004  0.033  -0.024 121 LEU BBB HB2  
3528 H HB3  . LEU B 140 ? 0.358 0.324 0.370 0.003  0.034  -0.023 121 LEU BBB HB3  
3529 H HG   . LEU B 140 ? 0.399 0.357 0.392 0.002  0.031  -0.034 121 LEU BBB HG   
3530 H HD11 . LEU B 140 ? 0.393 0.363 0.388 0.001  0.025  -0.029 121 LEU BBB HD11 
3531 H HD12 . LEU B 140 ? 0.399 0.366 0.395 -0.001 0.023  -0.035 121 LEU BBB HD12 
3532 H HD13 . LEU B 140 ? 0.391 0.361 0.396 -0.000 0.025  -0.028 121 LEU BBB HD13 
3533 H HD21 . LEU B 140 ? 0.405 0.365 0.419 -0.000 0.034  -0.031 121 LEU BBB HD21 
3534 H HD22 . LEU B 140 ? 0.411 0.369 0.416 -0.002 0.030  -0.038 121 LEU BBB HD22 
3535 H HD23 . LEU B 140 ? 0.415 0.368 0.421 0.001  0.036  -0.036 121 LEU BBB HD23 
3536 N N    . GLY B 141 ? 0.303 0.264 0.317 0.009  0.046  -0.018 122 GLY BBB N    
3537 C CA   . GLY B 141 ? 0.293 0.257 0.316 0.011  0.048  -0.013 122 GLY BBB CA   
3538 C C    . GLY B 141 ? 0.311 0.284 0.338 0.011  0.044  -0.008 122 GLY BBB C    
3539 O O    . GLY B 141 ? 0.305 0.282 0.341 0.012  0.045  -0.003 122 GLY BBB O    
3540 H H    . GLY B 141 ? 0.309 0.269 0.317 0.009  0.046  -0.020 122 GLY BBB H    
3541 H HA2  . GLY B 141 ? 0.303 0.265 0.325 0.012  0.051  -0.013 122 GLY BBB HA2  
3542 H HA3  . GLY B 141 ? 0.302 0.265 0.331 0.012  0.050  -0.012 122 GLY BBB HA3  
3543 N N    . HIS B 142 ? 0.310 0.287 0.331 0.010  0.040  -0.009 123 HIS BBB N    
3544 C CA   . HIS B 142 ? 0.290 0.275 0.313 0.010  0.036  -0.006 123 HIS BBB CA   
3545 C C    . HIS B 142 ? 0.285 0.272 0.310 0.011  0.038  -0.004 123 HIS BBB C    
3546 O O    . HIS B 142 ? 0.342 0.329 0.361 0.011  0.037  -0.006 123 HIS BBB O    
3547 C CB   . HIS B 142 ? 0.299 0.286 0.316 0.008  0.032  -0.008 123 HIS BBB CB   
3548 C CG   . HIS B 142 ? 0.292 0.277 0.308 0.006  0.030  -0.010 123 HIS BBB CG   
3549 N ND1  . HIS B 142 ? 0.297 0.284 0.320 0.006  0.030  -0.008 123 HIS BBB ND1  
3550 C CD2  . HIS B 142 ? 0.302 0.285 0.312 0.004  0.027  -0.014 123 HIS BBB CD2  
3551 C CE1  . HIS B 142 ? 0.303 0.288 0.324 0.004  0.028  -0.010 123 HIS BBB CE1  
3552 N NE2  . HIS B 142 ? 0.305 0.288 0.319 0.003  0.026  -0.015 123 HIS BBB NE2  
3553 H H    . HIS B 142 ? 0.310 0.283 0.324 0.009  0.039  -0.013 123 HIS BBB H    
3554 H HA   . HIS B 142 ? 0.292 0.279 0.320 0.010  0.036  -0.003 123 HIS BBB HA   
3555 H HB2  . HIS B 142 ? 0.297 0.281 0.308 0.008  0.032  -0.011 123 HIS BBB HB2  
3556 H HB3  . HIS B 142 ? 0.290 0.281 0.308 0.008  0.030  -0.006 123 HIS BBB HB3  
3558 H HD2  . HIS B 142 ? 0.303 0.285 0.307 0.004  0.026  -0.016 123 HIS BBB HD2  
3559 H HE1  . HIS B 142 ? 0.302 0.287 0.327 0.003  0.029  -0.009 123 HIS BBB HE1  
3561 N N    . ARG B 143 ? 0.281 0.270 0.314 0.013  0.040  -0.001 124 ARG BBB N    
3562 C CA   . ARG B 143 ? 0.296 0.285 0.332 0.014  0.043  0.000  124 ARG BBB CA   
3563 C C    . ARG B 143 ? 0.294 0.291 0.332 0.014  0.040  0.002  124 ARG BBB C    
3564 O O    . ARG B 143 ? 0.299 0.295 0.336 0.014  0.042  0.001  124 ARG BBB O    
3565 C CB   . ARG B 143 ? 0.309 0.299 0.356 0.016  0.047  0.003  124 ARG BBB CB   
3566 C CG   . ARG B 143 ? 0.315 0.295 0.359 0.017  0.052  0.001  124 ARG BBB CG   
3567 C CD   . ARG B 143 ? 0.316 0.295 0.369 0.019  0.057  0.003  124 ARG BBB CD   
3568 N NE   . ARG B 143 ? 0.310 0.280 0.361 0.020  0.061  -0.000 124 ARG BBB NE   
3569 C CZ   . ARG B 143 ? 0.298 0.260 0.343 0.020  0.066  -0.004 124 ARG BBB CZ   
3570 N NH1  . ARG B 143 ? 0.316 0.279 0.359 0.021  0.068  -0.004 124 ARG BBB NH1  
3571 N NH2  . ARG B 143 ? 0.300 0.255 0.343 0.020  0.070  -0.007 124 ARG BBB NH2  
3572 H H    . ARG B 143 ? 0.285 0.275 0.323 0.013  0.041  0.001  124 ARG BBB H    
3573 H HA   . ARG B 143 ? 0.300 0.285 0.331 0.014  0.046  -0.002 124 ARG BBB HA   
3574 H HB2  . ARG B 143 ? 0.303 0.296 0.354 0.017  0.045  0.006  124 ARG BBB HB2  
3575 H HB3  . ARG B 143 ? 0.305 0.297 0.355 0.017  0.048  0.005  124 ARG BBB HB3  
3576 H HG2  . ARG B 143 ? 0.318 0.295 0.356 0.017  0.053  -0.002 124 ARG BBB HG2  
3577 H HG3  . ARG B 143 ? 0.316 0.295 0.358 0.016  0.051  0.000  124 ARG BBB HG3  
3578 H HD2  . ARG B 143 ? 0.310 0.293 0.370 0.020  0.055  0.007  124 ARG BBB HD2  
3579 H HD3  . ARG B 143 ? 0.313 0.293 0.368 0.020  0.059  0.003  124 ARG BBB HD3  
3580 H HE   . ARG B 143 ? 0.308 0.277 0.360 0.019  0.061  0.000  124 ARG BBB HE   
3581 H HH11 . ARG B 143 ? 0.305 0.274 0.350 0.021  0.066  -0.002 124 ARG BBB HH11 
3582 H HH12 . ARG B 143 ? 0.316 0.274 0.355 0.021  0.072  -0.006 124 ARG BBB HH12 
3583 H HH21 . ARG B 143 ? 0.303 0.257 0.349 0.020  0.069  -0.007 124 ARG BBB HH21 
3584 H HH22 . ARG B 143 ? 0.309 0.259 0.348 0.020  0.073  -0.010 124 ARG BBB HH22 
3585 N N    . ASP B 144 ? 0.302 0.306 0.343 0.013  0.036  0.004  125 ASP BBB N    
3586 C CA   . ASP B 144 ? 0.319 0.330 0.361 0.012  0.032  0.005  125 ASP BBB CA   
3587 C C    . ASP B 144 ? 0.274 0.282 0.308 0.011  0.032  0.001  125 ASP BBB C    
3588 O O    . ASP B 144 ? 0.252 0.262 0.287 0.011  0.033  0.001  125 ASP BBB O    
3589 C CB   . ASP B 144 ? 0.360 0.378 0.404 0.011  0.028  0.007  125 ASP BBB CB   
3590 C CG   . ASP B 144 ? 0.409 0.424 0.447 0.010  0.025  0.005  125 ASP BBB CG   
3591 O OD1  . ASP B 144 ? 0.472 0.480 0.505 0.009  0.027  0.003  125 ASP BBB OD1  
3592 O OD2  . ASP B 144 ? 0.448 0.470 0.487 0.009  0.022  0.007  125 ASP BBB OD2  
3593 H H    . ASP B 144 ? 0.304 0.308 0.345 0.013  0.035  0.005  125 ASP BBB H    
3594 H HA   . ASP B 144 ? 0.313 0.326 0.360 0.013  0.034  0.006  125 ASP BBB HA   
3595 H HB2  . ASP B 144 ? 0.356 0.379 0.401 0.011  0.025  0.007  125 ASP BBB HB2  
3596 H HB3  . ASP B 144 ? 0.359 0.379 0.409 0.013  0.028  0.009  125 ASP BBB HB3  
3597 N N    . VAL B 145 ? 0.266 0.270 0.292 0.010  0.030  -0.001 126 VAL BBB N    
3598 C CA   . VAL B 145 ? 0.278 0.279 0.296 0.009  0.030  -0.004 126 VAL BBB CA   
3599 C C    . VAL B 145 ? 0.290 0.285 0.304 0.010  0.034  -0.005 126 VAL BBB C    
3600 O O    . VAL B 145 ? 0.279 0.274 0.290 0.010  0.035  -0.006 126 VAL BBB O    
3601 C CB   . VAL B 145 ? 0.278 0.276 0.290 0.008  0.027  -0.006 126 VAL BBB CB   
3602 C CG1  . VAL B 145 ? 0.295 0.290 0.298 0.007  0.027  -0.009 126 VAL BBB CG1  
3603 C CG2  . VAL B 145 ? 0.284 0.288 0.299 0.006  0.023  -0.005 126 VAL BBB CG2  
3604 H H    . VAL B 145 ? 0.272 0.275 0.299 0.009  0.030  -0.001 126 VAL BBB H    
3605 H HA   . VAL B 145 ? 0.273 0.278 0.292 0.008  0.028  -0.004 126 VAL BBB HA   
3606 H HB   . VAL B 145 ? 0.287 0.281 0.299 0.008  0.029  -0.007 126 VAL BBB HB   
3607 H HG11 . VAL B 145 ? 0.296 0.286 0.296 0.008  0.029  -0.010 126 VAL BBB HG11 
3608 H HG12 . VAL B 145 ? 0.290 0.285 0.291 0.007  0.024  -0.010 126 VAL BBB HG12 
3609 H HG13 . VAL B 145 ? 0.289 0.286 0.292 0.007  0.026  -0.008 126 VAL BBB HG13 
3610 H HG21 . VAL B 145 ? 0.277 0.285 0.292 0.006  0.022  -0.005 126 VAL BBB HG21 
3611 H HG22 . VAL B 145 ? 0.282 0.283 0.293 0.006  0.022  -0.007 126 VAL BBB HG22 
3612 H HG23 . VAL B 145 ? 0.280 0.285 0.299 0.007  0.024  -0.003 126 VAL BBB HG23 
3613 N N    . ALA B 146 ? 0.298 0.287 0.311 0.011  0.038  -0.006 127 ALA BBB N    
3614 C CA   . ALA B 146 ? 0.314 0.297 0.322 0.012  0.043  -0.007 127 ALA BBB CA   
3615 C C    . ALA B 146 ? 0.302 0.287 0.316 0.013  0.046  -0.005 127 ALA BBB C    
3616 O O    . ALA B 146 ? 0.304 0.286 0.314 0.014  0.048  -0.005 127 ALA BBB O    
3617 C CB   . ALA B 146 ? 0.309 0.286 0.317 0.013  0.047  -0.009 127 ALA BBB CB   
3618 H H    . ALA B 146 ? 0.300 0.289 0.315 0.011  0.038  -0.006 127 ALA BBB H    
3619 H HA   . ALA B 146 ? 0.311 0.291 0.312 0.012  0.042  -0.009 127 ALA BBB HA   
3620 H HB1  . ALA B 146 ? 0.318 0.291 0.322 0.014  0.050  -0.010 127 ALA BBB HB1  
3621 H HB2  . ALA B 146 ? 0.314 0.289 0.318 0.013  0.045  -0.010 127 ALA BBB HB2  
3622 H HB3  . ALA B 146 ? 0.310 0.289 0.326 0.014  0.048  -0.007 127 ALA BBB HB3  
3623 N N    . ARG B 147 ? 0.316 0.307 0.341 0.014  0.045  -0.002 128 ARG BBB N    
3624 C CA   . ARG B 147 ? 0.355 0.350 0.389 0.014  0.048  -0.000 128 ARG BBB CA   
3625 C C    . ARG B 147 ? 0.355 0.353 0.387 0.013  0.046  -0.001 128 ARG BBB C    
3626 O O    . ARG B 147 ? 0.330 0.326 0.363 0.013  0.049  -0.001 128 ARG BBB O    
3627 C CB   . ARG B 147 ? 0.367 0.368 0.413 0.015  0.047  0.002  128 ARG BBB CB   
3628 C CG   . ARG B 147 ? 0.441 0.438 0.491 0.017  0.051  0.003  128 ARG BBB CG   
3629 C CD   . ARG B 147 ? 0.483 0.488 0.546 0.018  0.050  0.007  128 ARG BBB CD   
3630 N NE   . ARG B 147 ? 0.500 0.513 0.566 0.017  0.044  0.008  128 ARG BBB NE   
3631 C CZ   . ARG B 147 ? 0.502 0.516 0.569 0.017  0.041  0.010  128 ARG BBB CZ   
3632 N NH1  . ARG B 147 ? 0.497 0.505 0.564 0.019  0.045  0.011  128 ARG BBB NH1  
3633 N NH2  . ARG B 147 ? 0.520 0.541 0.587 0.016  0.036  0.012  128 ARG BBB NH2  
3634 H H    . ARG B 147 ? 0.318 0.312 0.347 0.013  0.044  -0.002 128 ARG BBB H    
3635 H HA   . ARG B 147 ? 0.355 0.345 0.387 0.015  0.052  -0.001 128 ARG BBB HA   
3636 H HB2  . ARG B 147 ? 0.375 0.380 0.421 0.014  0.043  0.003  128 ARG BBB HB2  
3637 H HB3  . ARG B 147 ? 0.376 0.381 0.428 0.015  0.047  0.003  128 ARG BBB HB3  
3638 H HG2  . ARG B 147 ? 0.438 0.432 0.488 0.017  0.056  0.003  128 ARG BBB HG2  
3639 H HG3  . ARG B 147 ? 0.435 0.429 0.481 0.017  0.051  0.002  128 ARG BBB HG3  
3640 H HD2  . ARG B 147 ? 0.476 0.483 0.546 0.018  0.052  0.008  128 ARG BBB HD2  
3641 H HD3  . ARG B 147 ? 0.480 0.482 0.545 0.019  0.053  0.007  128 ARG BBB HD3  
3642 H HE   . ARG B 147 ? 0.492 0.509 0.558 0.016  0.042  0.008  128 ARG BBB HE   
3643 H HH11 . ARG B 147 ? 0.504 0.508 0.570 0.019  0.049  0.009  128 ARG BBB HH11 
3644 H HH12 . ARG B 147 ? 0.501 0.509 0.569 0.019  0.044  0.012  128 ARG BBB HH12 
3645 H HH21 . ARG B 147 ? 0.508 0.533 0.575 0.015  0.034  0.011  128 ARG BBB HH21 
3646 H HH22 . ARG B 147 ? 0.511 0.533 0.579 0.017  0.035  0.013  128 ARG BBB HH22 
3647 N N    . TYR B 148 ? 0.331 0.334 0.362 0.011  0.040  -0.001 129 TYR BBB N    
3648 C CA   . TYR B 148 ? 0.310 0.315 0.339 0.010  0.038  -0.002 129 TYR BBB CA   
3649 C C    . TYR B 148 ? 0.298 0.297 0.318 0.010  0.040  -0.003 129 TYR BBB C    
3650 O O    . TYR B 148 ? 0.334 0.332 0.356 0.010  0.042  -0.003 129 TYR BBB O    
3651 C CB   . TYR B 148 ? 0.306 0.317 0.334 0.008  0.032  -0.003 129 TYR BBB CB   
3652 C CG   . TYR B 148 ? 0.297 0.310 0.324 0.007  0.030  -0.004 129 TYR BBB CG   
3653 C CD1  . TYR B 148 ? 0.280 0.300 0.316 0.006  0.029  -0.003 129 TYR BBB CD1  
3654 C CD2  . TYR B 148 ? 0.317 0.326 0.336 0.007  0.029  -0.005 129 TYR BBB CD2  
3655 C CE1  . TYR B 148 ? 0.287 0.308 0.322 0.005  0.028  -0.005 129 TYR BBB CE1  
3656 C CE2  . TYR B 148 ? 0.315 0.325 0.334 0.006  0.028  -0.006 129 TYR BBB CE2  
3657 C CZ   . TYR B 148 ? 0.309 0.326 0.337 0.005  0.028  -0.006 129 TYR BBB CZ   
3658 O OH   . TYR B 148 ? 0.289 0.307 0.318 0.004  0.027  -0.007 129 TYR BBB OH   
3659 H H    . TYR B 148 ? 0.329 0.333 0.360 0.011  0.038  -0.001 129 TYR BBB H    
3660 H HA   . TYR B 148 ? 0.308 0.317 0.344 0.010  0.038  -0.001 129 TYR BBB HA   
3661 H HB2  . TYR B 148 ? 0.301 0.316 0.335 0.008  0.030  -0.001 129 TYR BBB HB2  
3662 H HB3  . TYR B 148 ? 0.306 0.314 0.329 0.008  0.031  -0.003 129 TYR BBB HB3  
3663 H HD1  . TYR B 148 ? 0.285 0.308 0.326 0.006  0.029  -0.002 129 TYR BBB HD1  
3664 H HD2  . TYR B 148 ? 0.315 0.320 0.328 0.008  0.030  -0.005 129 TYR BBB HD2  
3665 H HE1  . TYR B 148 ? 0.287 0.313 0.329 0.004  0.027  -0.005 129 TYR BBB HE1  
3666 H HE2  . TYR B 148 ? 0.315 0.323 0.329 0.006  0.028  -0.006 129 TYR BBB HE2  
3668 N N    . LEU B 149 ? 0.308 0.301 0.319 0.011  0.040  -0.005 130 LEU BBB N    
3669 C CA   . LEU B 149 ? 0.322 0.309 0.323 0.012  0.042  -0.006 130 LEU BBB CA   
3670 C C    . LEU B 149 ? 0.385 0.366 0.384 0.014  0.049  -0.005 130 LEU BBB C    
3671 O O    . LEU B 149 ? 0.422 0.401 0.417 0.014  0.051  -0.004 130 LEU BBB O    
3672 C CB   . LEU B 149 ? 0.322 0.305 0.313 0.012  0.039  -0.008 130 LEU BBB CB   
3673 C CG   . LEU B 149 ? 0.325 0.312 0.316 0.010  0.033  -0.009 130 LEU BBB CG   
3674 C CD1  . LEU B 149 ? 0.330 0.314 0.316 0.010  0.032  -0.011 130 LEU BBB CD1  
3675 C CD2  . LEU B 149 ? 0.317 0.304 0.303 0.010  0.031  -0.009 130 LEU BBB CD2  
3676 H H    . LEU B 149 ? 0.309 0.301 0.319 0.011  0.039  -0.005 130 LEU BBB H    
3677 H HA   . LEU B 149 ? 0.327 0.316 0.328 0.011  0.040  -0.005 130 LEU BBB HA   
3678 H HB2  . LEU B 149 ? 0.327 0.308 0.319 0.012  0.041  -0.008 130 LEU BBB HB2  
3679 H HB3  . LEU B 149 ? 0.331 0.310 0.315 0.013  0.041  -0.008 130 LEU BBB HB3  
3680 H HG   . LEU B 149 ? 0.316 0.308 0.314 0.009  0.032  -0.008 130 LEU BBB HG   
3681 H HD11 . LEU B 149 ? 0.329 0.313 0.319 0.010  0.033  -0.011 130 LEU BBB HD11 
3682 H HD12 . LEU B 149 ? 0.326 0.313 0.312 0.009  0.028  -0.012 130 LEU BBB HD12 
3683 H HD13 . LEU B 149 ? 0.336 0.315 0.314 0.011  0.033  -0.012 130 LEU BBB HD13 
3684 H HD21 . LEU B 149 ? 0.325 0.308 0.304 0.011  0.032  -0.009 130 LEU BBB HD21 
3685 H HD22 . LEU B 149 ? 0.316 0.306 0.302 0.009  0.028  -0.010 130 LEU BBB HD22 
3686 H HD23 . LEU B 149 ? 0.316 0.306 0.307 0.010  0.032  -0.008 130 LEU BBB HD23 
3687 N N    . ARG B 150 ? 0.419 0.399 0.423 0.014  0.052  -0.004 131 ARG BBB N    
3688 C CA   . ARG B 150 ? 0.447 0.421 0.450 0.016  0.060  -0.004 131 ARG BBB CA   
3689 C C    . ARG B 150 ? 0.425 0.403 0.437 0.016  0.062  -0.002 131 ARG BBB C    
3690 O O    . ARG B 150 ? 0.438 0.412 0.446 0.017  0.066  -0.001 131 ARG BBB O    
3691 C CB   . ARG B 150 ? 0.479 0.452 0.486 0.017  0.063  -0.004 131 ARG BBB CB   
3692 C CG   . ARG B 150 ? 0.545 0.511 0.540 0.018  0.063  -0.007 131 ARG BBB CG   
3693 C CD   . ARG B 150 ? 0.670 0.632 0.668 0.019  0.067  -0.008 131 ARG BBB CD   
3694 N NE   . ARG B 150 ? 0.745 0.713 0.759 0.019  0.068  -0.005 131 ARG BBB NE   
3695 C CZ   . ARG B 150 ? 0.753 0.723 0.773 0.019  0.065  -0.005 131 ARG BBB CZ   
3696 N NH1  . ARG B 150 ? 0.722 0.689 0.736 0.018  0.063  -0.007 131 ARG BBB NH1  
3697 N NH2  . ARG B 150 ? 0.763 0.740 0.797 0.019  0.066  -0.002 131 ARG BBB NH2  
3698 H H    . ARG B 150 ? 0.413 0.395 0.421 0.014  0.051  -0.004 131 ARG BBB H    
3699 H HA   . ARG B 150 ? 0.451 0.421 0.445 0.017  0.061  -0.004 131 ARG BBB HA   
3700 H HB2  . ARG B 150 ? 0.479 0.456 0.493 0.016  0.060  -0.003 131 ARG BBB HB2  
3701 H HB3  . ARG B 150 ? 0.488 0.458 0.498 0.018  0.068  -0.003 131 ARG BBB HB3  
3702 H HG2  . ARG B 150 ? 0.562 0.523 0.549 0.019  0.065  -0.007 131 ARG BBB HG2  
3703 H HG3  . ARG B 150 ? 0.552 0.520 0.545 0.017  0.058  -0.008 131 ARG BBB HG3  
3704 H HD2  . ARG B 150 ? 0.664 0.621 0.658 0.020  0.072  -0.008 131 ARG BBB HD2  
3705 H HD3  . ARG B 150 ? 0.659 0.619 0.652 0.018  0.065  -0.010 131 ARG BBB HD3  
3706 H HE   . ARG B 150 ? 0.726 0.696 0.745 0.019  0.069  -0.004 131 ARG BBB HE   
3707 H HH11 . ARG B 150 ? 0.736 0.700 0.741 0.018  0.062  -0.009 131 ARG BBB HH11 
3708 H HH12 . ARG B 150 ? 0.730 0.699 0.749 0.018  0.062  -0.007 131 ARG BBB HH12 
3709 H HH21 . ARG B 150 ? 0.753 0.732 0.791 0.019  0.067  -0.000 131 ARG BBB HH21 
3710 H HH22 . ARG B 150 ? 0.752 0.730 0.789 0.019  0.064  -0.001 131 ARG BBB HH22 
3711 N N    . ALA B 151 ? 0.392 0.378 0.416 0.014  0.058  -0.001 132 ALA BBB N    
3712 C CA   . ALA B 151 ? 0.391 0.383 0.426 0.013  0.059  0.000  132 ALA BBB CA   
3713 C C    . ALA B 151 ? 0.421 0.412 0.451 0.012  0.058  -0.000 132 ALA BBB C    
3714 O O    . ALA B 151 ? 0.472 0.462 0.506 0.012  0.062  0.001  132 ALA BBB O    
3715 C CB   . ALA B 151 ? 0.338 0.339 0.384 0.012  0.055  0.000  132 ALA BBB CB   
3716 H H    . ALA B 151 ? 0.394 0.384 0.421 0.014  0.055  -0.001 132 ALA BBB H    
3717 H HA   . ALA B 151 ? 0.390 0.380 0.429 0.014  0.064  0.001  132 ALA BBB HA   
3718 H HB1  . ALA B 151 ? 0.349 0.354 0.402 0.011  0.055  0.001  132 ALA BBB HB1  
3719 H HB2  . ALA B 151 ? 0.351 0.353 0.401 0.013  0.056  0.001  132 ALA BBB HB2  
3720 H HB3  . ALA B 151 ? 0.348 0.351 0.391 0.011  0.050  -0.000 132 ALA BBB HB3  
3721 N N    . ALA B 152 ? 0.456 0.447 0.478 0.012  0.053  -0.001 133 ALA BBB N    
3722 C CA   . ALA B 152 ? 0.484 0.475 0.502 0.011  0.051  -0.001 133 ALA BBB CA   
3723 C C    . ALA B 152 ? 0.537 0.519 0.546 0.013  0.057  -0.000 133 ALA BBB C    
3724 O O    . ALA B 152 ? 0.579 0.560 0.588 0.013  0.058  0.001  133 ALA BBB O    
3725 C CB   . ALA B 152 ? 0.422 0.415 0.435 0.010  0.045  -0.003 133 ALA BBB CB   
3726 H H    . ALA B 152 ? 0.452 0.444 0.471 0.012  0.050  -0.002 133 ALA BBB H    
3727 H HA   . ALA B 152 ? 0.471 0.465 0.497 0.010  0.052  -0.001 133 ALA BBB HA   
3728 H HB1  . ALA B 152 ? 0.439 0.432 0.450 0.010  0.044  -0.003 133 ALA BBB HB1  
3729 H HB2  . ALA B 152 ? 0.434 0.432 0.452 0.009  0.042  -0.003 133 ALA BBB HB2  
3730 H HB3  . ALA B 152 ? 0.442 0.432 0.448 0.011  0.044  -0.003 133 ALA BBB HB3  
3731 N N    . ALA B 153 ? 0.644 0.619 0.643 0.015  0.059  -0.000 134 ALA BBB N    
3732 C CA   . ALA B 153 ? 0.773 0.740 0.761 0.017  0.064  0.001  134 ALA BBB CA   
3733 C C    . ALA B 153 ? 0.830 0.795 0.826 0.018  0.072  0.003  134 ALA BBB C    
3734 O O    . ALA B 153 ? 0.958 0.921 0.957 0.019  0.077  0.004  134 ALA BBB O    
3735 C CB   . ALA B 153 ? 0.801 0.763 0.780 0.019  0.065  -0.000 134 ALA BBB CB   
3736 H H    . ALA B 153 ? 0.642 0.619 0.641 0.015  0.057  -0.001 134 ALA BBB H    
3737 H HA   . ALA B 153 ? 0.764 0.730 0.746 0.018  0.062  0.001  134 ALA BBB HA   
3738 H HB1  . ALA B 153 ? 0.803 0.760 0.774 0.020  0.069  0.000  134 ALA BBB HB1  
3739 H HB2  . ALA B 153 ? 0.793 0.756 0.768 0.018  0.061  -0.002 134 ALA BBB HB2  
3740 H HB3  . ALA B 153 ? 0.792 0.756 0.777 0.019  0.067  -0.001 134 ALA BBB HB3  
# 
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   GLN 1   1   1   GLN GLN AAA . n 
A 1 2   VAL 2   2   2   VAL VAL AAA . n 
A 1 3   GLN 3   3   3   GLN GLN AAA . n 
A 1 4   LEU 4   4   4   LEU LEU AAA . n 
A 1 5   VAL 5   5   5   VAL VAL AAA . n 
A 1 6   GLU 6   6   6   GLU GLU AAA . n 
A 1 7   SER 7   7   7   SER SER AAA . n 
A 1 8   GLY 8   8   8   GLY GLY AAA . n 
A 1 9   GLY 9   9   9   GLY GLY AAA . n 
A 1 10  GLY 10  10  10  GLY GLY AAA . n 
A 1 11  LEU 11  11  11  LEU LEU AAA . n 
A 1 12  VAL 12  12  12  VAL VAL AAA . n 
A 1 13  GLN 13  13  13  GLN GLN AAA . n 
A 1 14  ALA 14  14  14  ALA ALA AAA . n 
A 1 15  GLY 15  15  15  GLY GLY AAA . n 
A 1 16  ALA 16  16  16  ALA ALA AAA . n 
A 1 17  SER 17  17  17  SER SER AAA . n 
A 1 18  LEU 18  18  18  LEU LEU AAA . n 
A 1 19  ARG 19  19  19  ARG ARG AAA . n 
A 1 20  LEU 20  20  20  LEU LEU AAA . n 
A 1 21  SER 21  21  21  SER SER AAA . n 
A 1 22  CYS 22  22  22  CYS CYS AAA . n 
A 1 23  ALA 23  23  23  ALA ALA AAA . n 
A 1 24  ALA 24  24  24  ALA ALA AAA . n 
A 1 25  SER 25  25  25  SER SER AAA . n 
A 1 26  GLY 26  26  26  GLY GLY AAA . n 
A 1 27  SER 27  27  27  SER SER AAA . n 
A 1 28  THR 28  28  28  THR THR AAA . n 
A 1 29  TYR 29  29  29  TYR TYR AAA . n 
A 1 30  MET 30  30  30  MET MET AAA . n 
A 1 31  PHE 31  31  31  PHE PHE AAA . n 
A 1 32  SER 32  32  32  SER SER AAA . n 
A 1 33  ILE 33  33  33  ILE ILE AAA . n 
A 1 34  SER 34  34  34  SER SER AAA . n 
A 1 35  ALA 35  35  35  ALA ALA AAA . n 
A 1 36  MET 36  36  36  MET MET AAA . n 
A 1 37  GLY 37  37  37  GLY GLY AAA . n 
A 1 38  TRP 38  38  38  TRP TRP AAA . n 
A 1 39  TYR 39  39  39  TYR TYR AAA . n 
A 1 40  ARG 40  40  40  ARG ARG AAA . n 
A 1 41  GLN 41  41  41  GLN GLN AAA . n 
A 1 42  ALA 42  42  42  ALA ALA AAA . n 
A 1 43  PRO 43  43  43  PRO PRO AAA . n 
A 1 44  GLY 44  44  44  GLY GLY AAA . n 
A 1 45  LYS 45  45  45  LYS LYS AAA . n 
A 1 46  GLN 46  46  46  GLN GLN AAA . n 
A 1 47  ARG 47  47  47  ARG ARG AAA . n 
A 1 48  GLU 48  48  48  GLU GLU AAA . n 
A 1 49  LEU 49  49  49  LEU LEU AAA . n 
A 1 50  VAL 50  50  50  VAL VAL AAA . n 
A 1 51  ALA 51  51  51  ALA ALA AAA . n 
A 1 52  ALA 52  52  52  ALA ALA AAA . n 
A 1 53  ILE 53  53  53  ILE ILE AAA . n 
A 1 54  THR 54  54  54  THR THR AAA . n 
A 1 55  SER 55  55  55  SER SER AAA . n 
A 1 56  GLY 56  56  56  GLY GLY AAA . n 
A 1 57  GLY 57  57  57  GLY GLY AAA . n 
A 1 58  GLY 58  58  58  GLY GLY AAA . n 
A 1 59  ASP 59  59  59  ASP ASP AAA . n 
A 1 60  THR 60  60  60  THR THR AAA . n 
A 1 61  ASN 61  61  61  ASN ASN AAA . n 
A 1 62  TYR 62  62  62  TYR TYR AAA . n 
A 1 63  ALA 63  63  63  ALA ALA AAA . n 
A 1 64  ASP 64  64  64  ASP ASP AAA . n 
A 1 65  SER 65  65  65  SER SER AAA . n 
A 1 66  VAL 66  66  66  VAL VAL AAA . n 
A 1 67  LYS 67  67  67  LYS LYS AAA . n 
A 1 68  GLY 68  68  68  GLY GLY AAA . n 
A 1 69  ARG 69  69  69  ARG ARG AAA . n 
A 1 70  PHE 70  70  70  PHE PHE AAA . n 
A 1 71  THR 71  71  71  THR THR AAA . n 
A 1 72  ILE 72  72  72  ILE ILE AAA . n 
A 1 73  SER 73  73  73  SER SER AAA . n 
A 1 74  ARG 74  74  74  ARG ARG AAA . n 
A 1 75  ASP 75  75  75  ASP ASP AAA . n 
A 1 76  ARG 76  76  76  ARG ARG AAA . n 
A 1 77  ALA 77  77  77  ALA ALA AAA . n 
A 1 78  LYS 78  78  78  LYS LYS AAA . n 
A 1 79  ASN 79  79  79  ASN ASN AAA . n 
A 1 80  MET 80  80  80  MET MET AAA . n 
A 1 81  VAL 81  81  81  VAL VAL AAA . n 
A 1 82  TYR 82  82  82  TYR TYR AAA . n 
A 1 83  LEU 83  83  83  LEU LEU AAA . n 
A 1 84  GLN 84  84  84  GLN GLN AAA . n 
A 1 85  MET 85  85  85  MET MET AAA . n 
A 1 86  ASN 86  86  86  ASN ASN AAA . n 
A 1 87  SER 87  87  87  SER SER AAA . n 
A 1 88  LEU 88  88  88  LEU LEU AAA . n 
A 1 89  LYS 89  89  89  LYS LYS AAA . n 
A 1 90  PRO 90  90  90  PRO PRO AAA . n 
A 1 91  GLU 91  91  91  GLU GLU AAA . n 
A 1 92  ASP 92  92  92  ASP ASP AAA . n 
A 1 93  THR 93  93  93  THR THR AAA . n 
A 1 94  ALA 94  94  94  ALA ALA AAA . n 
A 1 95  VAL 95  95  95  VAL VAL AAA . n 
A 1 96  TYR 96  96  96  TYR TYR AAA . n 
A 1 97  TYR 97  97  97  TYR TYR AAA . n 
A 1 98  CYS 98  98  98  CYS CYS AAA . n 
A 1 99  ASN 99  99  99  ASN ASN AAA . n 
A 1 100 PHE 100 100 100 PHE PHE AAA . n 
A 1 101 ALA 101 101 101 ALA ALA AAA . n 
A 1 102 PRO 102 102 102 PRO PRO AAA . n 
A 1 103 GLY 103 103 103 GLY GLY AAA . n 
A 1 104 LEU 104 104 104 LEU LEU AAA . n 
A 1 105 GLN 105 105 105 GLN GLN AAA . n 
A 1 106 SER 106 106 106 SER SER AAA . n 
A 1 107 VAL 107 107 107 VAL VAL AAA . n 
A 1 108 ARG 108 108 108 ARG ARG AAA . n 
A 1 109 SER 109 109 109 SER SER AAA . n 
A 1 110 GLY 110 110 110 GLY GLY AAA . n 
A 1 111 SER 111 111 111 SER SER AAA . n 
A 1 112 TRP 112 112 112 TRP TRP AAA . n 
A 1 113 GLY 113 113 113 GLY GLY AAA . n 
A 1 114 GLN 114 114 114 GLN GLN AAA . n 
A 1 115 GLY 115 115 115 GLY GLY AAA . n 
A 1 116 THR 116 116 116 THR THR AAA . n 
A 1 117 GLN 117 117 117 GLN GLN AAA . n 
A 1 118 VAL 118 118 118 VAL VAL AAA . n 
A 1 119 THR 119 119 119 THR THR AAA . n 
A 1 120 VAL 120 120 120 VAL VAL AAA . n 
A 1 121 SER 121 121 121 SER SER AAA . n 
A 1 122 SER 122 122 122 SER SER AAA . n 
A 1 123 HIS 123 123 ?   ?   ?   AAA . n 
A 1 124 HIS 124 124 ?   ?   ?   AAA . n 
A 1 125 HIS 125 125 ?   ?   ?   AAA . n 
A 1 126 HIS 126 126 ?   ?   ?   AAA . n 
A 1 127 HIS 127 127 ?   ?   ?   AAA . n 
A 1 128 HIS 128 128 ?   ?   ?   AAA . n 
A 1 129 GLU 129 129 ?   ?   ?   AAA . n 
A 1 130 PRO 130 130 ?   ?   ?   AAA . n 
A 1 131 GLU 131 131 ?   ?   ?   AAA . n 
A 1 132 ALA 132 132 ?   ?   ?   AAA . n 
B 2 1   MET 1   -18 ?   ?   ?   BBB . n 
B 2 2   ALA 2   -17 ?   ?   ?   BBB . n 
B 2 3   HIS 3   -16 ?   ?   ?   BBB . n 
B 2 4   HIS 4   -15 ?   ?   ?   BBB . n 
B 2 5   HIS 5   -14 ?   ?   ?   BBB . n 
B 2 6   HIS 6   -13 ?   ?   ?   BBB . n 
B 2 7   HIS 7   -12 ?   ?   ?   BBB . n 
B 2 8   HIS 8   -11 ?   ?   ?   BBB . n 
B 2 9   SER 9   -10 ?   ?   ?   BBB . n 
B 2 10  SER 10  -9  ?   ?   ?   BBB . n 
B 2 11  GLY 11  -8  ?   ?   ?   BBB . n 
B 2 12  LEU 12  -7  ?   ?   ?   BBB . n 
B 2 13  GLU 13  -6  ?   ?   ?   BBB . n 
B 2 14  VAL 14  -5  ?   ?   ?   BBB . n 
B 2 15  LEU 15  -4  ?   ?   ?   BBB . n 
B 2 16  PHE 16  -3  ?   ?   ?   BBB . n 
B 2 17  GLN 17  -2  ?   ?   ?   BBB . n 
B 2 18  GLY 18  -1  ?   ?   ?   BBB . n 
B 2 19  PRO 19  0   ?   ?   ?   BBB . n 
B 2 20  MET 20  1   ?   ?   ?   BBB . n 
B 2 21  GLU 21  2   ?   ?   ?   BBB . n 
B 2 22  PRO 22  3   ?   ?   ?   BBB . n 
B 2 23  ALA 23  4   ?   ?   ?   BBB . n 
B 2 24  ALA 24  5   ?   ?   ?   BBB . n 
B 2 25  GLY 25  6   ?   ?   ?   BBB . n 
B 2 26  SER 26  7   ?   ?   ?   BBB . n 
B 2 27  SER 27  8   ?   ?   ?   BBB . n 
B 2 28  MET 28  9   ?   ?   ?   BBB . n 
B 2 29  GLU 29  10  10  GLU GLU BBB . n 
B 2 30  PRO 30  11  11  PRO PRO BBB . n 
B 2 31  SER 31  12  12  SER SER BBB . n 
B 2 32  ALA 32  13  13  ALA ALA BBB . n 
B 2 33  ASP 33  14  14  ASP ASP BBB . n 
B 2 34  TRP 34  15  15  TRP TRP BBB . n 
B 2 35  LEU 35  16  16  LEU LEU BBB . n 
B 2 36  ALA 36  17  17  ALA ALA BBB . n 
B 2 37  THR 37  18  18  THR THR BBB . n 
B 2 38  ALA 38  19  19  ALA ALA BBB . n 
B 2 39  ALA 39  20  20  ALA ALA BBB . n 
B 2 40  ALA 40  21  21  ALA ALA BBB . n 
B 2 41  ARG 41  22  22  ARG ARG BBB . n 
B 2 42  GLY 42  23  23  GLY GLY BBB . n 
B 2 43  ARG 43  24  24  ARG ARG BBB . n 
B 2 44  VAL 44  25  25  VAL VAL BBB . n 
B 2 45  GLU 45  26  26  GLU GLU BBB . n 
B 2 46  GLU 46  27  27  GLU GLU BBB . n 
B 2 47  VAL 47  28  28  VAL VAL BBB . n 
B 2 48  ARG 48  29  29  ARG ARG BBB . n 
B 2 49  ALA 49  30  30  ALA ALA BBB . n 
B 2 50  LEU 50  31  31  LEU LEU BBB . n 
B 2 51  LEU 51  32  32  LEU LEU BBB . n 
B 2 52  GLU 52  33  33  GLU GLU BBB . n 
B 2 53  ALA 53  34  34  ALA ALA BBB . n 
B 2 54  GLY 54  35  35  GLY GLY BBB . n 
B 2 55  ALA 55  36  36  ALA ALA BBB . n 
B 2 56  LEU 56  37  37  LEU LEU BBB . n 
B 2 57  PRO 57  38  38  PRO PRO BBB . n 
B 2 58  ASN 58  39  39  ASN ASN BBB . n 
B 2 59  ALA 59  40  40  ALA ALA BBB . n 
B 2 60  PRO 60  41  41  PRO PRO BBB . n 
B 2 61  ASN 61  42  42  ASN ASN BBB . n 
B 2 62  SER 62  43  43  SER SER BBB . n 
B 2 63  TYR 63  44  44  TYR TYR BBB . n 
B 2 64  GLY 64  45  45  GLY GLY BBB . n 
B 2 65  ARG 65  46  46  ARG ARG BBB . n 
B 2 66  ARG 66  47  47  ARG ARG BBB . n 
B 2 67  PRO 67  48  48  PRO PRO BBB . n 
B 2 68  ILE 68  49  49  ILE ILE BBB . n 
B 2 69  GLN 69  50  50  GLN GLN BBB . n 
B 2 70  VAL 70  51  51  VAL VAL BBB . n 
B 2 71  MET 71  52  52  MET MET BBB . n 
B 2 72  MET 72  53  53  MET MET BBB . n 
B 2 73  MET 73  54  54  MET MET BBB . n 
B 2 74  GLY 74  55  55  GLY GLY BBB . n 
B 2 75  SER 75  56  56  SER SER BBB . n 
B 2 76  ALA 76  57  57  ALA ALA BBB . n 
B 2 77  ARG 77  58  58  ARG ARG BBB . n 
B 2 78  VAL 78  59  59  VAL VAL BBB . n 
B 2 79  ALA 79  60  60  ALA ALA BBB . n 
B 2 80  GLU 80  61  61  GLU GLU BBB . n 
B 2 81  LEU 81  62  62  LEU LEU BBB . n 
B 2 82  LEU 82  63  63  LEU LEU BBB . n 
B 2 83  LEU 83  64  64  LEU LEU BBB . n 
B 2 84  LEU 84  65  65  LEU LEU BBB . n 
B 2 85  HIS 85  66  66  HIS HIS BBB . n 
B 2 86  GLY 86  67  67  GLY GLY BBB . n 
B 2 87  ALA 87  68  68  ALA ALA BBB . n 
B 2 88  GLU 88  69  69  GLU GLU BBB . n 
B 2 89  PRO 89  70  70  PRO PRO BBB . n 
B 2 90  ASN 90  71  71  ASN ASN BBB . n 
B 2 91  CYS 91  72  72  CYS CYS BBB . n 
B 2 92  ALA 92  73  73  ALA ALA BBB . n 
B 2 93  ASP 93  74  74  ASP ASP BBB . n 
B 2 94  PRO 94  75  75  PRO PRO BBB . n 
B 2 95  ALA 95  76  76  ALA ALA BBB . n 
B 2 96  THR 96  77  77  THR THR BBB . n 
B 2 97  LEU 97  78  78  LEU LEU BBB . n 
B 2 98  THR 98  79  79  THR THR BBB . n 
B 2 99  ARG 99  80  80  ARG ARG BBB . n 
B 2 100 PRO 100 81  81  PRO PRO BBB . n 
B 2 101 VAL 101 82  82  VAL VAL BBB . n 
B 2 102 HIS 102 83  83  HIS HIS BBB . n 
B 2 103 ASP 103 84  84  ASP ASP BBB . n 
B 2 104 ALA 104 85  85  ALA ALA BBB . n 
B 2 105 ALA 105 86  86  ALA ALA BBB . n 
B 2 106 ARG 106 87  87  ARG ARG BBB . n 
B 2 107 GLU 107 88  88  GLU GLU BBB . n 
B 2 108 GLY 108 89  89  GLY GLY BBB . n 
B 2 109 PHE 109 90  90  PHE PHE BBB . n 
B 2 110 LEU 110 91  91  LEU LEU BBB . n 
B 2 111 ASP 111 92  92  ASP ASP BBB . n 
B 2 112 THR 112 93  93  THR THR BBB . n 
B 2 113 LEU 113 94  94  LEU LEU BBB . n 
B 2 114 VAL 114 95  95  VAL VAL BBB . n 
B 2 115 VAL 115 96  96  VAL VAL BBB . n 
B 2 116 LEU 116 97  97  LEU LEU BBB . n 
B 2 117 HIS 117 98  98  HIS HIS BBB . n 
B 2 118 ARG 118 99  99  ARG ARG BBB . n 
B 2 119 ALA 119 100 100 ALA ALA BBB . n 
B 2 120 GLY 120 101 101 GLY GLY BBB . n 
B 2 121 ALA 121 102 102 ALA ALA BBB . n 
B 2 122 ARG 122 103 103 ARG ARG BBB . n 
B 2 123 LEU 123 104 104 LEU LEU BBB . n 
B 2 124 ASP 124 105 105 ASP ASP BBB . n 
B 2 125 VAL 125 106 106 VAL VAL BBB . n 
B 2 126 ARG 126 107 107 ARG ARG BBB . n 
B 2 127 ASP 127 108 108 ASP ASP BBB . n 
B 2 128 ALA 128 109 109 ALA ALA BBB . n 
B 2 129 TRP 129 110 110 TRP TRP BBB . n 
B 2 130 GLY 130 111 111 GLY GLY BBB . n 
B 2 131 ARG 131 112 112 ARG ARG BBB . n 
B 2 132 LEU 132 113 113 LEU LEU BBB . n 
B 2 133 PRO 133 114 114 PRO PRO BBB . n 
B 2 134 VAL 134 115 115 VAL VAL BBB . n 
B 2 135 ASP 135 116 116 ASP ASP BBB . n 
B 2 136 LEU 136 117 117 LEU LEU BBB . n 
B 2 137 ALA 137 118 118 ALA ALA BBB . n 
B 2 138 GLU 138 119 119 GLU GLU BBB . n 
B 2 139 GLU 139 120 120 GLU GLU BBB . n 
B 2 140 LEU 140 121 121 LEU LEU BBB . n 
B 2 141 GLY 141 122 122 GLY GLY BBB . n 
B 2 142 HIS 142 123 123 HIS HIS BBB . n 
B 2 143 ARG 143 124 124 ARG ARG BBB . n 
B 2 144 ASP 144 125 125 ASP ASP BBB . n 
B 2 145 VAL 145 126 126 VAL VAL BBB . n 
B 2 146 ALA 146 127 127 ALA ALA BBB . n 
B 2 147 ARG 147 128 128 ARG ARG BBB . n 
B 2 148 TYR 148 129 129 TYR TYR BBB . n 
B 2 149 LEU 149 130 130 LEU LEU BBB . n 
B 2 150 ARG 150 131 131 ARG ARG BBB . n 
B 2 151 ALA 151 132 132 ALA ALA BBB . n 
B 2 152 ALA 152 133 133 ALA ALA BBB . n 
B 2 153 ALA 153 134 134 ALA ALA BBB . n 
B 2 154 GLY 154 135 ?   ?   ?   BBB . n 
B 2 155 GLY 155 136 ?   ?   ?   BBB . n 
B 2 156 THR 156 137 ?   ?   ?   BBB . n 
B 2 157 ARG 157 138 ?   ?   ?   BBB . n 
B 2 158 GLY 158 139 ?   ?   ?   BBB . n 
B 2 159 SER 159 140 ?   ?   ?   BBB . n 
B 2 160 ASN 160 141 ?   ?   ?   BBB . n 
B 2 161 HIS 161 142 ?   ?   ?   BBB . n 
B 2 162 ALA 162 143 ?   ?   ?   BBB . n 
B 2 163 ARG 163 144 ?   ?   ?   BBB . n 
B 2 164 ILE 164 145 ?   ?   ?   BBB . n 
B 2 165 ASP 165 146 ?   ?   ?   BBB . n 
B 2 166 ALA 166 147 ?   ?   ?   BBB . n 
B 2 167 ALA 167 148 ?   ?   ?   BBB . n 
B 2 168 GLU 168 149 ?   ?   ?   BBB . n 
B 2 169 GLY 169 150 ?   ?   ?   BBB . n 
B 2 170 PRO 170 151 ?   ?   ?   BBB . n 
B 2 171 SER 171 152 ?   ?   ?   BBB . n 
B 2 172 ASP 172 153 ?   ?   ?   BBB . n 
B 2 173 ILE 173 154 ?   ?   ?   BBB . n 
B 2 174 PRO 174 155 ?   ?   ?   BBB . n 
B 2 175 ASP 175 156 ?   ?   ?   BBB . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 3 HOH 1  201 69  HOH HOH AAA . 
C 3 HOH 2  202 46  HOH HOH AAA . 
C 3 HOH 3  203 21  HOH HOH AAA . 
C 3 HOH 4  204 67  HOH HOH AAA . 
C 3 HOH 5  205 35  HOH HOH AAA . 
C 3 HOH 6  206 18  HOH HOH AAA . 
C 3 HOH 7  207 15  HOH HOH AAA . 
C 3 HOH 8  208 38  HOH HOH AAA . 
C 3 HOH 9  209 60  HOH HOH AAA . 
C 3 HOH 10 210 7   HOH HOH AAA . 
C 3 HOH 11 211 64  HOH HOH AAA . 
C 3 HOH 12 212 65  HOH HOH AAA . 
C 3 HOH 13 213 28  HOH HOH AAA . 
C 3 HOH 14 214 30  HOH HOH AAA . 
C 3 HOH 15 215 4   HOH HOH AAA . 
C 3 HOH 16 216 75  HOH HOH AAA . 
C 3 HOH 17 217 5   HOH HOH AAA . 
C 3 HOH 18 218 33  HOH HOH AAA . 
C 3 HOH 19 219 24  HOH HOH AAA . 
C 3 HOH 20 220 49  HOH HOH AAA . 
C 3 HOH 21 221 68  HOH HOH AAA . 
C 3 HOH 22 222 6   HOH HOH AAA . 
C 3 HOH 23 223 45  HOH HOH AAA . 
C 3 HOH 24 224 61  HOH HOH AAA . 
C 3 HOH 25 225 59  HOH HOH AAA . 
C 3 HOH 26 226 78  HOH HOH AAA . 
C 3 HOH 27 227 99  HOH HOH AAA . 
C 3 HOH 28 228 90  HOH HOH AAA . 
C 3 HOH 29 229 54  HOH HOH AAA . 
C 3 HOH 30 230 88  HOH HOH AAA . 
C 3 HOH 31 231 34  HOH HOH AAA . 
C 3 HOH 32 232 79  HOH HOH AAA . 
C 3 HOH 33 233 103 HOH HOH AAA . 
C 3 HOH 34 234 57  HOH HOH AAA . 
C 3 HOH 35 235 31  HOH HOH AAA . 
C 3 HOH 36 236 102 HOH HOH AAA . 
C 3 HOH 37 237 37  HOH HOH AAA . 
C 3 HOH 38 238 77  HOH HOH AAA . 
C 3 HOH 39 239 74  HOH HOH AAA . 
C 3 HOH 40 240 62  HOH HOH AAA . 
C 3 HOH 41 241 84  HOH HOH AAA . 
C 3 HOH 42 242 91  HOH HOH AAA . 
C 3 HOH 43 243 104 HOH HOH AAA . 
D 3 HOH 1  201 72  HOH HOH BBB . 
D 3 HOH 2  202 97  HOH HOH BBB . 
D 3 HOH 3  203 51  HOH HOH BBB . 
D 3 HOH 4  204 82  HOH HOH BBB . 
D 3 HOH 5  205 20  HOH HOH BBB . 
D 3 HOH 6  206 55  HOH HOH BBB . 
D 3 HOH 7  207 13  HOH HOH BBB . 
D 3 HOH 8  208 14  HOH HOH BBB . 
D 3 HOH 9  209 16  HOH HOH BBB . 
D 3 HOH 10 210 43  HOH HOH BBB . 
D 3 HOH 11 211 26  HOH HOH BBB . 
D 3 HOH 12 212 1   HOH HOH BBB . 
D 3 HOH 13 213 76  HOH HOH BBB . 
D 3 HOH 14 214 48  HOH HOH BBB . 
D 3 HOH 15 215 11  HOH HOH BBB . 
D 3 HOH 16 216 70  HOH HOH BBB . 
D 3 HOH 17 217 17  HOH HOH BBB . 
D 3 HOH 18 218 3   HOH HOH BBB . 
D 3 HOH 19 219 9   HOH HOH BBB . 
D 3 HOH 20 220 39  HOH HOH BBB . 
D 3 HOH 21 221 42  HOH HOH BBB . 
D 3 HOH 22 222 106 HOH HOH BBB . 
D 3 HOH 23 223 29  HOH HOH BBB . 
D 3 HOH 24 224 89  HOH HOH BBB . 
D 3 HOH 25 225 25  HOH HOH BBB . 
D 3 HOH 26 226 41  HOH HOH BBB . 
D 3 HOH 27 227 23  HOH HOH BBB . 
D 3 HOH 28 228 58  HOH HOH BBB . 
D 3 HOH 29 229 10  HOH HOH BBB . 
D 3 HOH 30 230 80  HOH HOH BBB . 
D 3 HOH 31 231 53  HOH HOH BBB . 
D 3 HOH 32 232 19  HOH HOH BBB . 
D 3 HOH 33 233 93  HOH HOH BBB . 
D 3 HOH 34 234 12  HOH HOH BBB . 
D 3 HOH 35 235 2   HOH HOH BBB . 
D 3 HOH 36 236 40  HOH HOH BBB . 
D 3 HOH 37 237 56  HOH HOH BBB . 
D 3 HOH 38 238 8   HOH HOH BBB . 
D 3 HOH 39 239 63  HOH HOH BBB . 
D 3 HOH 40 240 98  HOH HOH BBB . 
D 3 HOH 41 241 66  HOH HOH BBB . 
D 3 HOH 42 242 36  HOH HOH BBB . 
D 3 HOH 43 243 50  HOH HOH BBB . 
D 3 HOH 44 244 105 HOH HOH BBB . 
D 3 HOH 45 245 81  HOH HOH BBB . 
D 3 HOH 46 246 100 HOH HOH BBB . 
D 3 HOH 47 247 47  HOH HOH BBB . 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
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)' 1270  ? 
1 MORE         -3    ? 
1 'SSA (A^2)'  11620 ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 AAA HOH 236 ? C HOH . 
2 1 BBB HOH 245 ? D HOH . 
# 
_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       2022-07-13 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -8.2490 12.4238 2.5774  0.0015 ? 0.0062 ? 0.0051  ? 0.0527 ? 0.0383  ? 0.0476 ? 0.1624 ? 0.0131  ? 
-0.2545 ? 1.8680 ? 0.0223 ? 0.4043 ? -0.0025 ? -0.0431 ? 0.0152 ? 0.0069 ? 0.0351 ? 0.1077  ? 0.0057  ? 0.0552 ? -0.0326 ? 
2 'X-RAY DIFFRACTION' ? refined 4.3730  35.3509 -2.7296 0.0217 ? 0.0004 ? -0.0017 ? 0.0392 ? -0.0184 ? 0.0186 ? 0.7638 ? -0.1098 ? 
-0.2744 ? 0.7590 ? 0.0369 ? 0.2977 ? -0.0197 ? -0.0274 ? 0.0299 ? 0.1160 ? 0.0424 ? -0.0309 ? -0.0206 ? 0.0377 ? -0.0226 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 ? ? AAA 1  ? ? ? AAA 122 ? ALL ? 
2 'X-RAY DIFFRACTION' 2 ? ? BBB 10 ? ? ? BBB 134 ? ALL ? 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? DIALS  ? ? ? .        2 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .        3 
? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot   ? ? ? .        4 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 H  BBB ARG 80  ? ? HD2 BBB HIS 83  ? ? 1.24 
2 1 HH AAA TYR 62  ? ? H   AAA ILE 72  ? ? 1.25 
3 1 O  BBB HOH 233 ? ? O   BBB HOH 240 ? ? 1.97 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    HG3 
_pdbx_validate_symm_contact.auth_asym_id_1    BBB 
_pdbx_validate_symm_contact.auth_comp_id_1    ARG 
_pdbx_validate_symm_contact.auth_seq_id_1     58 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    HG3 
_pdbx_validate_symm_contact.auth_asym_id_2    BBB 
_pdbx_validate_symm_contact.auth_comp_id_2    ARG 
_pdbx_validate_symm_contact.auth_seq_id_2     58 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   3_554 
_pdbx_validate_symm_contact.dist              1.26 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE BBB ARG 99 ? ? CZ BBB ARG 99 ? ? NH1 BBB ARG 99 ? ? 116.29 120.30 -4.01 0.50 N 
2 1 NE BBB ARG 99 ? ? CZ BBB ARG 99 ? ? NH2 BBB ARG 99 ? ? 125.57 120.30 5.27  0.50 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 SER BBB 43 ? ? -34.15 -35.90 
2 1 MET BBB 53 ? ? -56.72 105.20 
3 1 MET BBB 53 ? ? -56.57 105.20 
4 1 ALA BBB 76 ? ? -98.70 -64.75 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 AAA HIS 123 ? A HIS 123 
2  1 Y 1 AAA HIS 124 ? A HIS 124 
3  1 Y 1 AAA HIS 125 ? A HIS 125 
4  1 Y 1 AAA HIS 126 ? A HIS 126 
5  1 Y 1 AAA HIS 127 ? A HIS 127 
6  1 Y 1 AAA HIS 128 ? A HIS 128 
7  1 Y 1 AAA GLU 129 ? A GLU 129 
8  1 Y 1 AAA PRO 130 ? A PRO 130 
9  1 Y 1 AAA GLU 131 ? A GLU 131 
10 1 Y 1 AAA ALA 132 ? A ALA 132 
11 1 Y 1 BBB MET -18 ? B MET 1   
12 1 Y 1 BBB ALA -17 ? B ALA 2   
13 1 Y 1 BBB HIS -16 ? B HIS 3   
14 1 Y 1 BBB HIS -15 ? B HIS 4   
15 1 Y 1 BBB HIS -14 ? B HIS 5   
16 1 Y 1 BBB HIS -13 ? B HIS 6   
17 1 Y 1 BBB HIS -12 ? B HIS 7   
18 1 Y 1 BBB HIS -11 ? B HIS 8   
19 1 Y 1 BBB SER -10 ? B SER 9   
20 1 Y 1 BBB SER -9  ? B SER 10  
21 1 Y 1 BBB GLY -8  ? B GLY 11  
22 1 Y 1 BBB LEU -7  ? B LEU 12  
23 1 Y 1 BBB GLU -6  ? B GLU 13  
24 1 Y 1 BBB VAL -5  ? B VAL 14  
25 1 Y 1 BBB LEU -4  ? B LEU 15  
26 1 Y 1 BBB PHE -3  ? B PHE 16  
27 1 Y 1 BBB GLN -2  ? B GLN 17  
28 1 Y 1 BBB GLY -1  ? B GLY 18  
29 1 Y 1 BBB PRO 0   ? B PRO 19  
30 1 Y 1 BBB MET 1   ? B MET 20  
31 1 Y 1 BBB GLU 2   ? B GLU 21  
32 1 Y 1 BBB PRO 3   ? B PRO 22  
33 1 Y 1 BBB ALA 4   ? B ALA 23  
34 1 Y 1 BBB ALA 5   ? B ALA 24  
35 1 Y 1 BBB GLY 6   ? B GLY 25  
36 1 Y 1 BBB SER 7   ? B SER 26  
37 1 Y 1 BBB SER 8   ? B SER 27  
38 1 Y 1 BBB MET 9   ? B MET 28  
39 1 Y 1 BBB GLY 135 ? B GLY 154 
40 1 Y 1 BBB GLY 136 ? B GLY 155 
41 1 Y 1 BBB THR 137 ? B THR 156 
42 1 Y 1 BBB ARG 138 ? B ARG 157 
43 1 Y 1 BBB GLY 139 ? B GLY 158 
44 1 Y 1 BBB SER 140 ? B SER 159 
45 1 Y 1 BBB ASN 141 ? B ASN 160 
46 1 Y 1 BBB HIS 142 ? B HIS 161 
47 1 Y 1 BBB ALA 143 ? B ALA 162 
48 1 Y 1 BBB ARG 144 ? B ARG 163 
49 1 Y 1 BBB ILE 145 ? B ILE 164 
50 1 Y 1 BBB ASP 146 ? B ASP 165 
51 1 Y 1 BBB ALA 147 ? B ALA 166 
52 1 Y 1 BBB ALA 148 ? B ALA 167 
53 1 Y 1 BBB GLU 149 ? B GLU 168 
54 1 Y 1 BBB GLY 150 ? B GLY 169 
55 1 Y 1 BBB PRO 151 ? B PRO 170 
56 1 Y 1 BBB SER 152 ? B SER 171 
57 1 Y 1 BBB ASP 153 ? B ASP 172 
58 1 Y 1 BBB ILE 154 ? B ILE 173 
59 1 Y 1 BBB PRO 155 ? B PRO 174 
60 1 Y 1 BBB ASP 156 ? B ASP 175 
# 
_pdbx_audit_support.funding_organization   'Medical Research Council (MRC, United Kingdom)' 
_pdbx_audit_support.country                'United Kingdom' 
_pdbx_audit_support.grant_number           MR/N009738/1 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_entity_nonpoly.entity_id   3 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
_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                ? 
# 
