data_6YXL
# 
_entry.id   6YXL 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.342 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   6YXL         
WWPDB D_1292108466 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        6YXL 
_pdbx_database_status.recvd_initial_deposition_date   2020-05-03 
_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 
'Ge, C.'       1 ? 
'Holmdahl, R.' 2 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'N-linked glycosylation of the immunoglobulin variable domain affects antigen binding and autoreactive B cell activation' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Ge, C.'       1 ? 
primary 'Holmdahl, R.' 2 ? 
# 
_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                     6YXL 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     130.886 
_cell.length_a_esd                 ? 
_cell.length_b                     130.886 
_cell.length_b_esd                 ? 
_cell.length_c                     61.026 
_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                         6YXL 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                92 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 41 21 2' 
_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 'ACPA F3 Fab fragment - heavy chain' 23570.336 1   ? ? ? ? 
2 polymer     man 'ACPA F3 Fab fragment - light chain' 23445.096 1   ? ? ? ? 
3 non-polymer syn GLYCEROL                             92.094    1   ? ? ? ? 
4 non-polymer syn 'SULFATE ION'                        96.063    1   ? ? ? ? 
5 water       nat water                                18.015    189 ? ? ? ? 
# 
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 
;QVQLVQSGAEVKKPGASVRVSCKASGFVTDYFIQWVRQAPGQGPEWMAWINPHNGETDYAPKLQDRVTVTCDTSTNTAFM
ELSRLTSDDTALYYCGRSGRTDARRAPVSYWGQGALVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTV
SWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEP
;
;QVQLVQSGAEVKKPGASVRVSCKASGFVTDYFIQWVRQAPGQGPEWMAWINPHNGETDYAPKLQDRVTVTCDTSTNTAFM
ELSRLTSDDTALYYCGRSGRTDARRAPVSYWGQGALVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTV
SWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEP
;
HHH ? 
2 'polypeptide(L)' no no 
;EIVLTQSPGTLSLSPGARATLSCRASQTVRGNYLAWFQQKRGQPPRLLIYLASNRATGIPDRFSGSGSGTDFTLTISRLE
PEDFAVYYCQQYVNTPETFGQGTRVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNS
QESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
;
;EIVLTQSPGTLSLSPGARATLSCRASQTVRGNYLAWFQQKRGQPPRLLIYLASNRATGIPDRFSGSGSGTDFTLTISRLE
PEDFAVYYCQQYVNTPETFGQGTRVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNS
QESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
;
LLL ? 
# 
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   GLN n 
1 7   SER n 
1 8   GLY n 
1 9   ALA n 
1 10  GLU n 
1 11  VAL n 
1 12  LYS n 
1 13  LYS n 
1 14  PRO n 
1 15  GLY n 
1 16  ALA n 
1 17  SER n 
1 18  VAL n 
1 19  ARG n 
1 20  VAL n 
1 21  SER n 
1 22  CYS n 
1 23  LYS n 
1 24  ALA n 
1 25  SER n 
1 26  GLY n 
1 27  PHE n 
1 28  VAL n 
1 29  THR n 
1 30  ASP n 
1 31  TYR n 
1 32  PHE n 
1 33  ILE n 
1 34  GLN n 
1 35  TRP n 
1 36  VAL n 
1 37  ARG n 
1 38  GLN n 
1 39  ALA n 
1 40  PRO n 
1 41  GLY n 
1 42  GLN n 
1 43  GLY n 
1 44  PRO n 
1 45  GLU n 
1 46  TRP n 
1 47  MET n 
1 48  ALA n 
1 49  TRP n 
1 50  ILE n 
1 51  ASN n 
1 52  PRO n 
1 53  HIS n 
1 54  ASN n 
1 55  GLY n 
1 56  GLU n 
1 57  THR n 
1 58  ASP n 
1 59  TYR n 
1 60  ALA n 
1 61  PRO n 
1 62  LYS n 
1 63  LEU n 
1 64  GLN n 
1 65  ASP n 
1 66  ARG n 
1 67  VAL n 
1 68  THR n 
1 69  VAL n 
1 70  THR n 
1 71  CYS n 
1 72  ASP n 
1 73  THR n 
1 74  SER n 
1 75  THR n 
1 76  ASN n 
1 77  THR n 
1 78  ALA n 
1 79  PHE n 
1 80  MET n 
1 81  GLU n 
1 82  LEU n 
1 83  SER n 
1 84  ARG n 
1 85  LEU n 
1 86  THR n 
1 87  SER n 
1 88  ASP n 
1 89  ASP n 
1 90  THR n 
1 91  ALA n 
1 92  LEU n 
1 93  TYR n 
1 94  TYR n 
1 95  CYS n 
1 96  GLY n 
1 97  ARG n 
1 98  SER n 
1 99  GLY n 
1 100 ARG n 
1 101 THR n 
1 102 ASP n 
1 103 ALA n 
1 104 ARG n 
1 105 ARG n 
1 106 ALA n 
1 107 PRO n 
1 108 VAL n 
1 109 SER n 
1 110 TYR n 
1 111 TRP n 
1 112 GLY n 
1 113 GLN n 
1 114 GLY n 
1 115 ALA n 
1 116 LEU n 
1 117 VAL n 
1 118 THR n 
1 119 VAL n 
1 120 SER n 
1 121 SER n 
1 122 ALA n 
1 123 SER n 
1 124 THR n 
1 125 LYS n 
1 126 GLY n 
1 127 PRO n 
1 128 SER n 
1 129 VAL n 
1 130 PHE n 
1 131 PRO n 
1 132 LEU n 
1 133 ALA n 
1 134 PRO n 
1 135 SER n 
1 136 SER n 
1 137 LYS n 
1 138 SER n 
1 139 THR n 
1 140 SER n 
1 141 GLY n 
1 142 GLY n 
1 143 THR n 
1 144 ALA n 
1 145 ALA n 
1 146 LEU n 
1 147 GLY n 
1 148 CYS n 
1 149 LEU n 
1 150 VAL n 
1 151 LYS n 
1 152 ASP n 
1 153 TYR n 
1 154 PHE n 
1 155 PRO n 
1 156 GLU n 
1 157 PRO n 
1 158 VAL n 
1 159 THR n 
1 160 VAL n 
1 161 SER n 
1 162 TRP n 
1 163 ASN n 
1 164 SER n 
1 165 GLY n 
1 166 ALA n 
1 167 LEU n 
1 168 THR n 
1 169 SER n 
1 170 GLY n 
1 171 VAL n 
1 172 HIS n 
1 173 THR n 
1 174 PHE n 
1 175 PRO n 
1 176 ALA n 
1 177 VAL n 
1 178 LEU n 
1 179 GLN n 
1 180 SER n 
1 181 SER n 
1 182 GLY n 
1 183 LEU n 
1 184 TYR n 
1 185 SER n 
1 186 LEU n 
1 187 SER n 
1 188 SER n 
1 189 VAL n 
1 190 VAL n 
1 191 THR n 
1 192 VAL n 
1 193 PRO n 
1 194 SER n 
1 195 SER n 
1 196 SER n 
1 197 LEU n 
1 198 GLY n 
1 199 THR n 
1 200 GLN n 
1 201 THR n 
1 202 TYR n 
1 203 ILE n 
1 204 CYS n 
1 205 ASN n 
1 206 VAL n 
1 207 ASN n 
1 208 HIS n 
1 209 LYS n 
1 210 PRO n 
1 211 SER n 
1 212 ASN n 
1 213 THR n 
1 214 LYS n 
1 215 VAL n 
1 216 ASP n 
1 217 LYS n 
1 218 ARG n 
1 219 VAL n 
1 220 GLU n 
1 221 PRO n 
2 1   GLU n 
2 2   ILE n 
2 3   VAL n 
2 4   LEU n 
2 5   THR n 
2 6   GLN n 
2 7   SER n 
2 8   PRO n 
2 9   GLY n 
2 10  THR n 
2 11  LEU n 
2 12  SER n 
2 13  LEU n 
2 14  SER n 
2 15  PRO n 
2 16  GLY n 
2 17  ALA n 
2 18  ARG n 
2 19  ALA n 
2 20  THR n 
2 21  LEU n 
2 22  SER n 
2 23  CYS n 
2 24  ARG n 
2 25  ALA n 
2 26  SER n 
2 27  GLN n 
2 28  THR n 
2 29  VAL n 
2 30  ARG n 
2 31  GLY n 
2 32  ASN n 
2 33  TYR n 
2 34  LEU n 
2 35  ALA n 
2 36  TRP n 
2 37  PHE n 
2 38  GLN n 
2 39  GLN n 
2 40  LYS n 
2 41  ARG n 
2 42  GLY n 
2 43  GLN n 
2 44  PRO n 
2 45  PRO n 
2 46  ARG n 
2 47  LEU n 
2 48  LEU n 
2 49  ILE n 
2 50  TYR n 
2 51  LEU n 
2 52  ALA n 
2 53  SER n 
2 54  ASN n 
2 55  ARG n 
2 56  ALA n 
2 57  THR n 
2 58  GLY n 
2 59  ILE n 
2 60  PRO n 
2 61  ASP n 
2 62  ARG n 
2 63  PHE n 
2 64  SER n 
2 65  GLY n 
2 66  SER n 
2 67  GLY n 
2 68  SER n 
2 69  GLY n 
2 70  THR n 
2 71  ASP n 
2 72  PHE n 
2 73  THR n 
2 74  LEU n 
2 75  THR n 
2 76  ILE n 
2 77  SER n 
2 78  ARG n 
2 79  LEU n 
2 80  GLU n 
2 81  PRO n 
2 82  GLU n 
2 83  ASP n 
2 84  PHE n 
2 85  ALA n 
2 86  VAL n 
2 87  TYR n 
2 88  TYR n 
2 89  CYS n 
2 90  GLN n 
2 91  GLN n 
2 92  TYR n 
2 93  VAL n 
2 94  ASN n 
2 95  THR n 
2 96  PRO n 
2 97  GLU n 
2 98  THR n 
2 99  PHE n 
2 100 GLY n 
2 101 GLN n 
2 102 GLY n 
2 103 THR n 
2 104 ARG n 
2 105 VAL n 
2 106 GLU n 
2 107 ILE n 
2 108 LYS n 
2 109 ARG n 
2 110 THR n 
2 111 VAL n 
2 112 ALA n 
2 113 ALA n 
2 114 PRO n 
2 115 SER n 
2 116 VAL n 
2 117 PHE n 
2 118 ILE n 
2 119 PHE n 
2 120 PRO n 
2 121 PRO n 
2 122 SER n 
2 123 ASP n 
2 124 GLU n 
2 125 GLN n 
2 126 LEU n 
2 127 LYS n 
2 128 SER n 
2 129 GLY n 
2 130 THR n 
2 131 ALA n 
2 132 SER n 
2 133 VAL n 
2 134 VAL n 
2 135 CYS n 
2 136 LEU n 
2 137 LEU n 
2 138 ASN n 
2 139 ASN n 
2 140 PHE n 
2 141 TYR n 
2 142 PRO n 
2 143 ARG n 
2 144 GLU n 
2 145 ALA n 
2 146 LYS n 
2 147 VAL n 
2 148 GLN n 
2 149 TRP n 
2 150 LYS n 
2 151 VAL n 
2 152 ASP n 
2 153 ASN n 
2 154 ALA n 
2 155 LEU n 
2 156 GLN n 
2 157 SER n 
2 158 GLY n 
2 159 ASN n 
2 160 SER n 
2 161 GLN n 
2 162 GLU n 
2 163 SER n 
2 164 VAL n 
2 165 THR n 
2 166 GLU n 
2 167 GLN n 
2 168 ASP n 
2 169 SER n 
2 170 LYS n 
2 171 ASP n 
2 172 SER n 
2 173 THR n 
2 174 TYR n 
2 175 SER n 
2 176 LEU n 
2 177 SER n 
2 178 SER n 
2 179 THR n 
2 180 LEU n 
2 181 THR n 
2 182 LEU n 
2 183 SER n 
2 184 LYS n 
2 185 ALA n 
2 186 ASP n 
2 187 TYR n 
2 188 GLU n 
2 189 LYS n 
2 190 HIS n 
2 191 LYS n 
2 192 VAL n 
2 193 TYR n 
2 194 ALA n 
2 195 CYS n 
2 196 GLU n 
2 197 VAL n 
2 198 THR n 
2 199 HIS n 
2 200 GLN n 
2 201 GLY n 
2 202 LEU n 
2 203 SER n 
2 204 SER n 
2 205 PRO n 
2 206 VAL n 
2 207 THR n 
2 208 LYS n 
2 209 SER n 
2 210 PHE n 
2 211 ASN n 
2 212 ARG n 
2 213 GLY 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' 1 221 Human ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? Human 'Homo sapiens' 9606 ? ? ? ? ? 
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 213 Human ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? Human 'Homo sapiens' 9606 ? ? ? ? ? 
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
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 6YXL 6YXL ? 1 ? 1 
2 PDB 6YXL 6YXL ? 2 ? 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 6YXL HHH 1 ? 221 ? 6YXL 1 ? 229 ? 1 229 
2 2 6YXL LLL 1 ? 213 ? 6YXL 1 ? 213 ? 1 213 
# 
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  
GOL non-polymer         . GLYCEROL        'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
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 
SO4 non-polymer         . 'SULFATE ION'   ?                               'O4 S -2'        96.063  
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                   6YXL 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                      ? 
_exptl_crystal.density_diffrn              ? 
_exptl_crystal.density_Matthews            2.78 
_exptl_crystal.density_method              ? 
_exptl_crystal.density_percent_sol         55.75 
_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            293 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '20mM Tris pH 7.4, 50mM NaCl, 0.2M Potassium thiocyanate, 2.2M Ammonium sulfate)' 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     210 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2018-11-03 
_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   0.91840 
_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                        'MAX IV BEAMLINE BioMAX' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.91840 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BioMAX 
_diffrn_source.pdbx_synchrotron_site       'MAX IV' 
# 
_reflns.B_iso_Wilson_estimate            ? 
_reflns.entry_id                         6YXL 
_reflns.data_reduction_details           ? 
_reflns.data_reduction_method            ? 
_reflns.d_resolution_high                2.10 
_reflns.d_resolution_low                 65.529 
_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                       31556 
_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                  16.4 
_reflns.pdbx_Rmerge_I_obs                0.155 
_reflns.pdbx_Rmerge_I_all                ? 
_reflns.pdbx_Rsym_value                  ? 
_reflns.pdbx_netI_over_av_sigmaI         ? 
_reflns.pdbx_netI_over_sigmaI            10.4 
_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                  0.164 
_reflns.pdbx_Rpim_I_all                  0.055 
_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                     ? 
# 
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 
8.91 65.44 ? ? ? ? ? ? 501  ? ? ? ? ? 0.055 ? ? ? ? ? ? ? ? 13.3 ? ? ? ? 0.058 0.020 ? 1 1 0.999 ? ? 
2.10 2.16  ? ? ? ? ? ? 2524 ? ? ? ? ? 1.463 ? ? ? ? ? ? ? ? 16.8 ? ? ? ? 1.554 0.522 ? 2 1 0.855 ? ? 
# 
_refine.aniso_B[1][1]                            -0.098 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.098 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            0.196 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               42.449 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.957 
_refine.correlation_coeff_Fo_to_Fc_free          0.943 
_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                                 6YXL 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.100 
_refine.ls_d_res_low                             65.529 
_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                     31497 
_refine.ls_number_reflns_R_free                  1551 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.978 
_refine.ls_percent_reflns_R_free                 4.924 
_refine.ls_R_factor_all                          0.200 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2313 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1987 
_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                    ? 
_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                      5ocx 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.197 
_refine.pdbx_overall_ESU_R_Free                  0.168 
_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                             9.969 
_refine.overall_SU_ML                            0.131 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.100 
_refine_hist.d_res_low                        65.529 
_refine_hist.number_atoms_solvent             189 
_refine_hist.number_atoms_total               3462 
_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        3262 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         11 
_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' ? 0.011  0.013  3345 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.017  3018 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.757  1.651  4551 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.349  1.572  7025 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 8.386  5.000  419  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 33.190 21.950 159  ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.320 15.000 523  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 18.741 15.000 21   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.072  0.200  444  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  3719 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  692  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.253  0.200  533  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.201  0.200  2861 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.165  0.200  1584 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.082  0.200  1771 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.146  0.200  172  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.019  0.200  1    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.737  0.200  13   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.283  0.200  35   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.312  0.200  6    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.695  3.053  1700 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.694  3.050  1698 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.516  4.568  2111 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.516  4.568  2111 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.338  3.344  1641 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.337  3.345  1642 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.724  4.900  2435 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.723  4.901  2436 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.904  35.911 3522 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.876  35.775 3507 ? 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' 2.100 2.155  . . 136 2144 100.0000 . . . 0.298 . 0.248 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.155 2.214  . . 112 2124 100.0000 . . . 0.300 . 0.235 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.214 2.278  . . 98  2053 100.0000 . . . 0.282 . 0.238 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.278 2.348  . . 93  2038 100.0000 . . . 0.252 . 0.224 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.348 2.425  . . 94  1946 100.0000 . . . 0.281 . 0.234 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.425 2.510  . . 108 1868 100.0000 . . . 0.275 . 0.226 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.510 2.605  . . 106 1809 100.0000 . . . 0.252 . 0.202 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.605 2.711  . . 92  1773 100.0000 . . . 0.300 . 0.207 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.711 2.831  . . 80  1706 100.0000 . . . 0.264 . 0.207 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.831 2.969  . . 76  1597 100.0000 . . . 0.265 . 0.203 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 2.969 3.130  . . 66  1582 100.0000 . . . 0.307 . 0.214 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 3.130 3.320  . . 80  1459 100.0000 . . . 0.245 . 0.208 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 3.320 3.549  . . 80  1370 100.0000 . . . 0.220 . 0.209 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 3.549 3.833  . . 67  1308 100.0000 . . . 0.239 . 0.191 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 3.833 4.198  . . 59  1190 100.0000 . . . 0.195 . 0.166 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 4.198 4.693  . . 56  1103 100.0000 . . . 0.134 . 0.138 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 4.693 5.418  . . 49  970  100.0000 . . . 0.132 . 0.164 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 5.418 6.633  . . 47  836  99.8869  . . . 0.199 . 0.238 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 6.633 9.369  . . 42  658  99.8573  . . . 0.294 . 0.209 . . . . . . . . . . . 
'X-RAY DIFFRACTION' 9.369 65.529 . . 10  412  98.8290  . . . 0.543 . 0.222 . . . . . . . . . . . 
# 
_struct.entry_id                     6YXL 
_struct.title                        'Crystal structure of ACPA F3' 
_struct.pdbx_descriptor              'ACPA F3 Fab fragment - heavy chain, ACPA F3 Fab fragment - light chain' 
_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        6YXL 
_struct_keywords.text            'anti-citrullinated protein antibody Fab fragment, IMMUNE SYSTEM' 
_struct_keywords.pdbx_keywords   'IMMUNE SYSTEM' 
# 
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 4 ? 
E N N 5 ? 
F N N 5 ? 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 THR A 86  ? THR A 90  ? THR HHH 92  THR HHH 96  5 ? 5 
HELX_P HELX_P2 AA2 SER A 164 ? ALA A 166 ? SER HHH 172 ALA HHH 174 5 ? 3 
HELX_P HELX_P3 AA3 SER A 195 ? LEU A 197 ? SER HHH 203 LEU HHH 205 5 ? 3 
HELX_P HELX_P4 AA4 LYS A 209 ? ASN A 212 ? LYS HHH 217 ASN HHH 220 5 ? 4 
HELX_P HELX_P5 AA5 VAL B 29  ? ASN B 32  ? VAL LLL 29  ASN LLL 32  5 ? 4 
HELX_P HELX_P6 AA6 GLU B 80  ? PHE B 84  ? GLU LLL 80  PHE LLL 84  5 ? 5 
HELX_P HELX_P7 AA7 SER B 122 ? SER B 128 ? SER LLL 122 SER LLL 128 1 ? 7 
HELX_P HELX_P8 AA8 LYS B 184 ? GLU B 188 ? LYS LLL 184 GLU LLL 188 1 ? 5 
# 
_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 ? ? ? 1_555 A CYS 95  SG ? ? HHH CYS 22  HHH CYS 101 1_555 ? ? ? ? ? ? ? 2.120 ? ? 
disulf2 disulf ? ? A CYS 148 SG ? ? ? 1_555 A CYS 204 SG ? ? HHH CYS 156 HHH CYS 212 1_555 ? ? ? ? ? ? ? 2.073 ? ? 
disulf3 disulf ? ? B CYS 23  SG ? ? ? 1_555 B CYS 89  SG ? ? LLL CYS 23  LLL CYS 89  1_555 ? ? ? ? ? ? ? 2.217 ? ? 
disulf4 disulf ? ? B CYS 135 SG ? ? ? 1_555 B CYS 195 SG ? ? LLL CYS 135 LLL CYS 195 1_555 ? ? ? ? ? ? ? 2.085 ? ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 PHE 154 A . ? PHE 162 HHH PRO 155 A ? PRO 163 HHH 1 -9.74 
2 GLU 156 A . ? GLU 164 HHH PRO 157 A ? PRO 165 HHH 1 -8.45 
3 SER 7   B . ? SER 7   LLL PRO 8   B ? PRO 8   LLL 1 -7.93 
4 THR 95  B . ? THR 95  LLL PRO 96  B ? PRO 96  LLL 1 0.88  
5 TYR 141 B . ? TYR 141 LLL PRO 142 B ? PRO 142 LLL 1 3.82  
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 4 ? 
AA2 ? 6 ? 
AA3 ? 4 ? 
AA4 ? 4 ? 
AA5 ? 4 ? 
AA6 ? 3 ? 
AA7 ? 4 ? 
AA8 ? 6 ? 
AA9 ? 4 ? 
AB1 ? 4 ? 
# 
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 
AA3 1 2 ? parallel      
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA5 1 2 ? anti-parallel 
AA5 2 3 ? anti-parallel 
AA5 3 4 ? anti-parallel 
AA6 1 2 ? anti-parallel 
AA6 2 3 ? anti-parallel 
AA7 1 2 ? anti-parallel 
AA7 2 3 ? anti-parallel 
AA7 3 4 ? anti-parallel 
AA8 1 2 ? parallel      
AA8 2 3 ? anti-parallel 
AA8 3 4 ? anti-parallel 
AA8 4 5 ? anti-parallel 
AA8 5 6 ? anti-parallel 
AA9 1 2 ? anti-parallel 
AA9 2 3 ? anti-parallel 
AA9 3 4 ? anti-parallel 
AB1 1 2 ? anti-parallel 
AB1 2 3 ? anti-parallel 
AB1 3 4 ? 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 GLN A 3   ? GLN A 6   ? GLN HHH 3   GLN HHH 6   
AA1 2 VAL A 18  ? SER A 25  ? VAL HHH 18  SER HHH 25  
AA1 3 THR A 77  ? LEU A 82  ? THR HHH 83  LEU HHH 88  
AA1 4 VAL A 67  ? ASP A 72  ? VAL HHH 73  ASP HHH 78  
AA2 1 GLU A 10  ? LYS A 12  ? GLU HHH 10  LYS HHH 12  
AA2 2 ALA A 115 ? VAL A 119 ? ALA HHH 121 VAL HHH 125 
AA2 3 ALA A 91  ? ARG A 100 ? ALA HHH 97  ARG HHH 106 
AA2 4 TYR A 31  ? GLN A 38  ? TYR HHH 33  GLN HHH 40  
AA2 5 PRO A 44  ? ILE A 50  ? PRO HHH 46  ILE HHH 52  
AA2 6 THR A 57  ? TYR A 59  ? THR HHH 63  TYR HHH 65  
AA3 1 GLU A 10  ? LYS A 12  ? GLU HHH 10  LYS HHH 12  
AA3 2 ALA A 115 ? VAL A 119 ? ALA HHH 121 VAL HHH 125 
AA3 3 ALA A 91  ? ARG A 100 ? ALA HHH 97  ARG HHH 106 
AA3 4 TYR A 110 ? TRP A 111 ? TYR HHH 116 TRP HHH 117 
AA4 1 SER A 128 ? LEU A 132 ? SER HHH 135 LEU HHH 139 
AA4 2 THR A 143 ? TYR A 153 ? THR HHH 151 TYR HHH 161 
AA4 3 TYR A 184 ? PRO A 193 ? TYR HHH 192 PRO HHH 201 
AA4 4 VAL A 171 ? THR A 173 ? VAL HHH 179 THR HHH 181 
AA5 1 SER A 128 ? LEU A 132 ? SER HHH 135 LEU HHH 139 
AA5 2 THR A 143 ? TYR A 153 ? THR HHH 151 TYR HHH 161 
AA5 3 TYR A 184 ? PRO A 193 ? TYR HHH 192 PRO HHH 201 
AA5 4 VAL A 177 ? LEU A 178 ? VAL HHH 185 LEU HHH 186 
AA6 1 THR A 159 ? TRP A 162 ? THR HHH 167 TRP HHH 170 
AA6 2 TYR A 202 ? HIS A 208 ? TYR HHH 210 HIS HHH 216 
AA6 3 THR A 213 ? VAL A 219 ? THR HHH 221 VAL HHH 227 
AA7 1 LEU B 4   ? SER B 7   ? LEU LLL 4   SER LLL 7   
AA7 2 ALA B 19  ? ALA B 25  ? ALA LLL 19  ALA LLL 25  
AA7 3 ASP B 71  ? ILE B 76  ? ASP LLL 71  ILE LLL 76  
AA7 4 PHE B 63  ? SER B 68  ? PHE LLL 63  SER LLL 68  
AA8 1 THR B 10  ? LEU B 13  ? THR LLL 10  LEU LLL 13  
AA8 2 THR B 103 ? ILE B 107 ? THR LLL 103 ILE LLL 107 
AA8 3 ALA B 85  ? GLN B 91  ? ALA LLL 85  GLN LLL 91  
AA8 4 LEU B 34  ? GLN B 39  ? LEU LLL 34  GLN LLL 39  
AA8 5 ARG B 46  ? TYR B 50  ? ARG LLL 46  TYR LLL 50  
AA8 6 ASN B 54  ? ARG B 55  ? ASN LLL 54  ARG LLL 55  
AA9 1 SER B 115 ? PHE B 119 ? SER LLL 115 PHE LLL 119 
AA9 2 THR B 130 ? PHE B 140 ? THR LLL 130 PHE LLL 140 
AA9 3 TYR B 174 ? SER B 183 ? TYR LLL 174 SER LLL 183 
AA9 4 SER B 160 ? VAL B 164 ? SER LLL 160 VAL LLL 164 
AB1 1 ALA B 154 ? LEU B 155 ? ALA LLL 154 LEU LLL 155 
AB1 2 LYS B 146 ? VAL B 151 ? LYS LLL 146 VAL LLL 151 
AB1 3 VAL B 192 ? THR B 198 ? VAL LLL 192 THR LLL 198 
AB1 4 VAL B 206 ? ASN B 211 ? VAL LLL 206 ASN LLL 211 
# 
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 VAL A 5   ? N VAL HHH 5   O LYS A 23  ? O LYS HHH 23  
AA1 2 3 N VAL A 20  ? N VAL HHH 20  O MET A 80  ? O MET HHH 86  
AA1 3 4 O THR A 77  ? O THR HHH 83  N ASP A 72  ? N ASP HHH 78  
AA2 1 2 N GLU A 10  ? N GLU HHH 10  O THR A 118 ? O THR HHH 124 
AA2 2 3 O VAL A 117 ? O VAL HHH 123 N ALA A 91  ? N ALA HHH 97  
AA2 3 4 O TYR A 94  ? O TYR HHH 100 N VAL A 36  ? N VAL HHH 38  
AA2 4 5 N ARG A 37  ? N ARG HHH 39  O GLU A 45  ? O GLU HHH 47  
AA2 5 6 N TRP A 49  ? N TRP HHH 51  O ASP A 58  ? O ASP HHH 64  
AA3 1 2 N GLU A 10  ? N GLU HHH 10  O THR A 118 ? O THR HHH 124 
AA3 2 3 O VAL A 117 ? O VAL HHH 123 N ALA A 91  ? N ALA HHH 97  
AA3 3 4 N ARG A 97  ? N ARG HHH 103 O TYR A 110 ? O TYR HHH 116 
AA4 1 2 N SER A 128 ? N SER HHH 135 O LYS A 151 ? O LYS HHH 159 
AA4 2 3 N VAL A 150 ? N VAL HHH 158 O LEU A 186 ? O LEU HHH 194 
AA4 3 4 O VAL A 189 ? O VAL HHH 197 N HIS A 172 ? N HIS HHH 180 
AA5 1 2 N SER A 128 ? N SER HHH 135 O LYS A 151 ? O LYS HHH 159 
AA5 2 3 N VAL A 150 ? N VAL HHH 158 O LEU A 186 ? O LEU HHH 194 
AA5 3 4 O SER A 185 ? O SER HHH 193 N VAL A 177 ? N VAL HHH 185 
AA6 1 2 N SER A 161 ? N SER HHH 169 O ASN A 205 ? O ASN HHH 213 
AA6 2 3 N HIS A 208 ? N HIS HHH 216 O THR A 213 ? O THR HHH 221 
AA7 1 2 N THR B 5   ? N THR LLL 5   O ARG B 24  ? O ARG LLL 24  
AA7 2 3 N LEU B 21  ? N LEU LLL 21  O LEU B 74  ? O LEU LLL 74  
AA7 3 4 O THR B 75  ? O THR LLL 75  N SER B 64  ? N SER LLL 64  
AA8 1 2 N LEU B 11  ? N LEU LLL 11  O GLU B 106 ? O GLU LLL 106 
AA8 2 3 O THR B 103 ? O THR LLL 103 N TYR B 87  ? N TYR LLL 87  
AA8 3 4 O GLN B 90  ? O GLN LLL 90  N ALA B 35  ? N ALA LLL 35  
AA8 4 5 N TRP B 36  ? N TRP LLL 36  O LEU B 48  ? O LEU LLL 48  
AA8 5 6 N TYR B 50  ? N TYR LLL 50  O ASN B 54  ? O ASN LLL 54  
AA9 1 2 N PHE B 117 ? N PHE LLL 117 O LEU B 136 ? O LEU LLL 136 
AA9 2 3 N ALA B 131 ? N ALA LLL 131 O LEU B 182 ? O LEU LLL 182 
AA9 3 4 O THR B 179 ? O THR LLL 179 N GLN B 161 ? N GLN LLL 161 
AB1 1 2 O ALA B 154 ? O ALA LLL 154 N VAL B 151 ? N VAL LLL 151 
AB1 2 3 N GLN B 148 ? N GLN LLL 148 O GLU B 196 ? O GLU LLL 196 
AB1 3 4 N VAL B 197 ? N VAL LLL 197 O VAL B 206 ? O VAL LLL 206 
# 
_atom_sites.entry_id                    6YXL 
_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]   0.007640 
_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]   0.007640 
_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]   0.016386 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_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 2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
H 0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N 12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O 3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.032   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N    . GLN A 1 1   ? -5.034  2.032  24.355  1.000 65.042  ? 1   GLN HHH N    1 
ATOM   2    C CA   . GLN A 1 1   ? -4.955  2.409  22.906  1.000 66.373  ? 1   GLN HHH CA   1 
ATOM   3    C C    . GLN A 1 1   ? -3.861  3.467  22.702  1.000 56.132  ? 1   GLN HHH C    1 
ATOM   4    O O    . GLN A 1 1   ? -3.106  3.708  23.631  1.000 53.991  ? 1   GLN HHH O    1 
ATOM   5    C CB   . GLN A 1 1   ? -6.326  2.875  22.390  1.000 78.200  ? 1   GLN HHH CB   1 
ATOM   6    C CG   . GLN A 1 1   ? -6.653  4.351  22.628  1.000 88.135  ? 1   GLN HHH CG   1 
ATOM   7    C CD   . GLN A 1 1   ? -6.655  4.746  24.087  1.000 97.023  ? 1   GLN HHH CD   1 
ATOM   8    O OE1  . GLN A 1 1   ? -6.320  3.935  24.959  1.000 96.979  ? 1   GLN HHH OE1  1 
ATOM   9    N NE2  . GLN A 1 1   ? -7.033  5.996  24.353  1.000 94.083  ? 1   GLN HHH NE2  1 
ATOM   10   H H1   . GLN A 1 1   ? -5.891  1.829  24.585  1.000 67.010  ? 1   GLN HHH H1   1 
ATOM   11   H H2   . GLN A 1 1   ? -4.725  2.760  24.900  1.000 64.953  ? 1   GLN HHH H2   1 
ATOM   12   H H3   . GLN A 1 1   ? -4.478  1.265  24.510  1.000 66.155  ? 1   GLN HHH H3   1 
ATOM   13   H HA   . GLN A 1 1   ? -4.697  1.603  22.402  1.000 66.600  ? 1   GLN HHH HA   1 
ATOM   14   H HB2  . GLN A 1 1   ? -6.363  2.699  21.426  1.000 77.662  ? 1   GLN HHH HB2  1 
ATOM   15   H HB3  . GLN A 1 1   ? -7.018  2.327  22.815  1.000 79.131  ? 1   GLN HHH HB3  1 
ATOM   16   H HG2  . GLN A 1 1   ? -6.005  4.909  22.150  1.000 85.706  ? 1   GLN HHH HG2  1 
ATOM   17   H HG3  . GLN A 1 1   ? -7.538  4.543  22.251  1.000 87.880  ? 1   GLN HHH HG3  1 
ATOM   18   H HE21 . GLN A 1 1   ? -6.222  5.267  26.192  0.000 30.000  ? 1   GLN HHH HE21 1 
ATOM   19   H HE22 . GLN A 1 1   ? -6.708  5.985  24.930  0.000 30.000  ? 1   GLN HHH HE22 1 
ATOM   20   N N    . VAL A 1 2   ? -3.756  4.039  21.501  1.000 52.818  ? 2   VAL HHH N    1 
ATOM   21   C CA   . VAL A 1 2   ? -2.678  4.993  21.109  1.000 49.769  ? 2   VAL HHH CA   1 
ATOM   22   C C    . VAL A 1 2   ? -2.796  6.261  21.967  1.000 47.563  ? 2   VAL HHH C    1 
ATOM   23   O O    . VAL A 1 2   ? -3.829  6.916  21.926  1.000 46.847  ? 2   VAL HHH O    1 
ATOM   24   C CB   . VAL A 1 2   ? -2.688  5.311  19.596  1.000 49.179  ? 2   VAL HHH CB   1 
ATOM   25   C CG1  . VAL A 1 2   ? -1.641  6.353  19.230  1.000 46.828  ? 2   VAL HHH CG1  1 
ATOM   26   C CG2  . VAL A 1 2   ? -2.484  4.055  18.754  1.000 51.592  ? 2   VAL HHH CG2  1 
ATOM   27   H H    . VAL A 1 2   ? -4.354  3.879  20.833  1.000 53.763  ? 2   VAL HHH H    1 
ATOM   28   H HA   . VAL A 1 2   ? -1.825  4.572  21.317  1.000 49.431  ? 2   VAL HHH HA   1 
ATOM   29   H HB   . VAL A 1 2   ? -3.578  5.683  19.376  1.000 49.765  ? 2   VAL HHH HB   1 
ATOM   30   H HG11 . VAL A 1 2   ? -1.931  7.231  19.541  1.000 46.621  ? 2   VAL HHH HG11 1 
ATOM   31   H HG12 . VAL A 1 2   ? -1.527  6.375  18.261  1.000 46.924  ? 2   VAL HHH HG12 1 
ATOM   32   H HG13 . VAL A 1 2   ? -0.792  6.122  19.651  1.000 46.657  ? 2   VAL HHH HG13 1 
ATOM   33   H HG21 . VAL A 1 2   ? -1.695  3.578  19.068  1.000 50.895  ? 2   VAL HHH HG21 1 
ATOM   34   H HG22 . VAL A 1 2   ? -2.361  4.303  17.822  1.000 50.811  ? 2   VAL HHH HG22 1 
ATOM   35   H HG23 . VAL A 1 2   ? -3.263  3.478  18.835  1.000 52.264  ? 2   VAL HHH HG23 1 
ATOM   36   N N    . GLN A 1 3   ? -1.737  6.603  22.698  1.000 44.937  ? 3   GLN HHH N    1 
ATOM   37   C CA   . GLN A 1 3   ? -1.652  7.859  23.488  1.000 44.721  ? 3   GLN HHH CA   1 
ATOM   38   C C    . GLN A 1 3   ? -0.245  8.440  23.415  1.000 38.718  ? 3   GLN HHH C    1 
ATOM   39   O O    . GLN A 1 3   ? 0.724   7.667  23.513  1.000 39.942  ? 3   GLN HHH O    1 
ATOM   40   C CB   . GLN A 1 3   ? -1.937  7.542  24.945  1.000 49.103  ? 3   GLN HHH CB   1 
ATOM   41   C CG   . GLN A 1 3   ? -3.289  6.906  25.185  1.000 54.202  ? 3   GLN HHH CG   1 
ATOM   42   C CD   . GLN A 1 3   ? -3.876  7.695  26.312  1.000 58.936  ? 3   GLN HHH CD   1 
ATOM   43   O OE1  . GLN A 1 3   ? -3.572  7.432  27.468  1.000 65.731  ? 3   GLN HHH OE1  1 
ATOM   44   N NE2  . GLN A 1 3   ? -4.578  8.762  25.965  1.000 62.513  ? 3   GLN HHH NE2  1 
ATOM   45   H H    . GLN A 1 3   ? -0.994  6.080  22.761  1.000 45.422  ? 3   GLN HHH H    1 
ATOM   46   H HA   . GLN A 1 3   ? -2.306  8.513  23.149  1.000 44.107  ? 3   GLN HHH HA   1 
ATOM   47   H HB2  . GLN A 1 3   ? -1.240  6.938  25.271  1.000 49.200  ? 3   GLN HHH HB2  1 
ATOM   48   H HB3  . GLN A 1 3   ? -1.875  8.373  25.460  1.000 48.590  ? 3   GLN HHH HB3  1 
ATOM   49   H HG2  . GLN A 1 3   ? -3.854  6.975  24.390  1.000 54.353  ? 3   GLN HHH HG2  1 
ATOM   50   H HG3  . GLN A 1 3   ? -3.191  5.963  25.437  1.000 55.178  ? 3   GLN HHH HG3  1 
ATOM   51   H HE21 . GLN A 1 3   ? -4.414  8.914  27.486  0.000 30.000  ? 3   GLN HHH HE21 1 
ATOM   52   H HE22 . GLN A 1 3   ? -4.295  9.188  25.985  0.000 30.000  ? 3   GLN HHH HE22 1 
ATOM   53   N N    . LEU A 1 4   ? -0.162  9.752  23.276  1.000 37.644  ? 4   LEU HHH N    1 
ATOM   54   C CA   . LEU A 1 4   ? 1.081   10.532 23.447  1.000 37.959  ? 4   LEU HHH CA   1 
ATOM   55   C C    . LEU A 1 4   ? 0.886   11.405 24.680  1.000 35.776  ? 4   LEU HHH C    1 
ATOM   56   O O    . LEU A 1 4   ? 0.146   12.401 24.589  1.000 38.453  ? 4   LEU HHH O    1 
ATOM   57   C CB   . LEU A 1 4   ? 1.335   11.388 22.203  1.000 38.633  ? 4   LEU HHH CB   1 
ATOM   58   C CG   . LEU A 1 4   ? 1.566   10.599 20.916  1.000 41.790  ? 4   LEU HHH CG   1 
ATOM   59   C CD1  . LEU A 1 4   ? 1.240   11.430 19.698  1.000 43.059  ? 4   LEU HHH CD1  1 
ATOM   60   C CD2  . LEU A 1 4   ? 2.993   10.120 20.881  1.000 42.799  ? 4   LEU HHH CD2  1 
ATOM   61   H H    . LEU A 1 4   ? -0.882  10.266 23.059  1.000 38.000  ? 4   LEU HHH H    1 
ATOM   62   H HA   . LEU A 1 4   ? 1.835   9.916  23.595  1.000 37.651  ? 4   LEU HHH HA   1 
ATOM   63   H HB2  . LEU A 1 4   ? 0.568   11.979 22.072  1.000 38.973  ? 4   LEU HHH HB2  1 
ATOM   64   H HB3  . LEU A 1 4   ? 2.118   11.951 22.370  1.000 38.489  ? 4   LEU HHH HB3  1 
ATOM   65   H HG   . LEU A 1 4   ? 0.972   9.809  20.922  1.000 42.353  ? 4   LEU HHH HG   1 
ATOM   66   H HD11 . LEU A 1 4   ? 0.301   11.686 19.721  1.000 42.834  ? 4   LEU HHH HD11 1 
ATOM   67   H HD12 . LEU A 1 4   ? 1.414   10.911 18.894  1.000 42.759  ? 4   LEU HHH HD12 1 
ATOM   68   H HD13 . LEU A 1 4   ? 1.793   12.230 19.693  1.000 42.041  ? 4   LEU HHH HD13 1 
ATOM   69   H HD21 . LEU A 1 4   ? 3.579   10.862 20.655  1.000 41.878  ? 4   LEU HHH HD21 1 
ATOM   70   H HD22 . LEU A 1 4   ? 3.083   9.423  20.209  1.000 42.616  ? 4   LEU HHH HD22 1 
ATOM   71   H HD23 . LEU A 1 4   ? 3.241   9.763  21.752  1.000 42.580  ? 4   LEU HHH HD23 1 
ATOM   72   N N    . VAL A 1 5   ? 1.521   11.046 25.781  1.000 33.647  ? 5   VAL HHH N    1 
ATOM   73   C CA   . VAL A 1 5   ? 1.330   11.773 27.068  1.000 33.782  ? 5   VAL HHH CA   1 
ATOM   74   C C    . VAL A 1 5   ? 2.548   12.657 27.244  1.000 30.680  ? 5   VAL HHH C    1 
ATOM   75   O O    . VAL A 1 5   ? 3.622   12.125 27.347  1.000 30.174  ? 5   VAL HHH O    1 
ATOM   76   C CB   . VAL A 1 5   ? 1.171   10.802 28.235  1.000 35.541  ? 5   VAL HHH CB   1 
ATOM   77   C CG1  . VAL A 1 5   ? 0.861   11.541 29.532  1.000 36.049  ? 5   VAL HHH CG1  1 
ATOM   78   C CG2  . VAL A 1 5   ? 0.100   9.760  27.900  1.000 38.355  ? 5   VAL HHH CG2  1 
ATOM   79   H H    . VAL A 1 5   ? 2.104   10.347 25.825  1.000 34.423  ? 5   VAL HHH H    1 
ATOM   80   H HA   . VAL A 1 5   ? 0.534   12.331 27.006  1.000 33.367  ? 5   VAL HHH HA   1 
ATOM   81   H HB   . VAL A 1 5   ? 2.031   10.328 28.352  1.000 35.869  ? 5   VAL HHH HB   1 
ATOM   82   H HG11 . VAL A 1 5   ? 1.665   11.982 29.856  1.000 35.761  ? 5   VAL HHH HG11 1 
ATOM   83   H HG12 . VAL A 1 5   ? 0.548   10.908 30.201  1.000 37.032  ? 5   VAL HHH HG12 1 
ATOM   84   H HG13 . VAL A 1 5   ? 0.170   12.207 29.369  1.000 35.780  ? 5   VAL HHH HG13 1 
ATOM   85   H HG21 . VAL A 1 5   ? -0.665  10.200 27.490  1.000 37.565  ? 5   VAL HHH HG21 1 
ATOM   86   H HG22 . VAL A 1 5   ? -0.184  9.311  28.715  1.000 38.691  ? 5   VAL HHH HG22 1 
ATOM   87   H HG23 . VAL A 1 5   ? 0.466   9.105  27.281  1.000 37.671  ? 5   VAL HHH HG23 1 
ATOM   88   N N    . GLN A 1 6   ? 2.332   13.949 27.333  1.000 29.332  ? 6   GLN HHH N    1 
ATOM   89   C CA   . GLN A 1 6   ? 3.419   14.922 27.419  1.000 29.347  ? 6   GLN HHH CA   1 
ATOM   90   C C    . GLN A 1 6   ? 3.631   15.310 28.872  1.000 28.939  ? 6   GLN HHH C    1 
ATOM   91   O O    . GLN A 1 6   ? 2.696   15.180 29.676  1.000 28.159  ? 6   GLN HHH O    1 
ATOM   92   C CB   . GLN A 1 6   ? 3.100   16.101 26.515  1.000 30.343  ? 6   GLN HHH CB   1 
ATOM   93   C CG   . GLN A 1 6   ? 3.183   15.703 25.052  1.000 31.797  ? 6   GLN HHH CG   1 
ATOM   94   C CD   . GLN A 1 6   ? 3.204   16.897 24.141  1.000 31.359  ? 6   GLN HHH CD   1 
ATOM   95   O OE1  . GLN A 1 6   ? 2.270   17.158 23.386  1.000 31.670  ? 6   GLN HHH OE1  1 
ATOM   96   N NE2  . GLN A 1 6   ? 4.296   17.625 24.211  1.000 33.730  ? 6   GLN HHH NE2  1 
ATOM   97   H H    . GLN A 1 6   ? 1.502   14.312 27.343  1.000 29.790  ? 6   GLN HHH H    1 
ATOM   98   H HA   . GLN A 1 6   ? 4.240   14.493 27.092  1.000 29.295  ? 6   GLN HHH HA   1 
ATOM   99   H HB2  . GLN A 1 6   ? 2.198   16.427 26.718  1.000 30.445  ? 6   GLN HHH HB2  1 
ATOM   100  H HB3  . GLN A 1 6   ? 3.737   16.824 26.697  1.000 30.190  ? 6   GLN HHH HB3  1 
ATOM   101  H HG2  . GLN A 1 6   ? 3.996   15.174 24.906  1.000 31.381  ? 6   GLN HHH HG2  1 
ATOM   102  H HG3  . GLN A 1 6   ? 2.412   15.140 24.826  1.000 31.584  ? 6   GLN HHH HG3  1 
ATOM   103  H HE21 . GLN A 1 6   ? 4.379   18.332 23.719  0.000 30.000  ? 6   GLN HHH HE21 1 
ATOM   104  H HE22 . GLN A 1 6   ? 4.937   17.376 24.777  0.000 30.000  ? 6   GLN HHH HE22 1 
ATOM   105  N N    . SER A 1 7   ? 4.811   15.845 29.148  1.000 28.957  ? 7   SER HHH N    1 
ATOM   106  C CA   . SER A 1 7   ? 5.197   16.342 30.488  1.000 30.829  ? 7   SER HHH CA   1 
ATOM   107  C C    . SER A 1 7   ? 4.378   17.605 30.757  1.000 31.854  ? 7   SER HHH C    1 
ATOM   108  O O    . SER A 1 7   ? 3.777   18.143 29.791  1.000 31.183  ? 7   SER HHH O    1 
ATOM   109  C CB   . SER A 1 7   ? 6.689   16.579 30.571  1.000 31.585  ? 7   SER HHH CB   1 
ATOM   110  O OG   . SER A 1 7   ? 7.138   17.345 29.461  1.000 29.359  ? 7   SER HHH OG   1 
ATOM   111  H H    . SER A 1 7   ? 5.474   15.948 28.531  1.000 28.835  ? 7   SER HHH H    1 
ATOM   112  H HA   . SER A 1 7   ? 4.943   15.656 31.156  1.000 31.646  ? 7   SER HHH HA   1 
ATOM   113  H HB2  . SER A 1 7   ? 6.898   17.057 31.406  1.000 31.653  ? 7   SER HHH HB2  1 
ATOM   114  H HB3  . SER A 1 7   ? 7.157   15.716 30.587  1.000 31.423  ? 7   SER HHH HB3  1 
ATOM   115  H HG   . SER A 1 7   ? 7.975   17.479 29.519  0.000 30.000  ? 7   SER HHH HG   1 
ATOM   116  N N    . GLY A 1 8   ? 4.349   18.048 32.012  1.000 32.252  ? 8   GLY HHH N    1 
ATOM   117  C CA   . GLY A 1 8   ? 3.499   19.150 32.488  1.000 32.862  ? 8   GLY HHH CA   1 
ATOM   118  C C    . GLY A 1 8   ? 4.021   20.512 32.070  1.000 32.248  ? 8   GLY HHH C    1 
ATOM   119  O O    . GLY A 1 8   ? 5.116   20.618 31.477  1.000 34.384  ? 8   GLY HHH O    1 
ATOM   120  H H    . GLY A 1 8   ? 4.872   17.681 32.662  1.000 33.136  ? 8   GLY HHH H    1 
ATOM   121  H HA2  . GLY A 1 8   ? 2.585   19.026 32.128  1.000 32.462  ? 8   GLY HHH HA2  1 
ATOM   122  H HA3  . GLY A 1 8   ? 3.446   19.110 33.475  1.000 33.538  ? 8   GLY HHH HA3  1 
ATOM   123  N N    . ALA A 1 9   ? 3.212   21.527 32.289  1.000 31.289  ? 9   ALA HHH N    1 
ATOM   124  C CA   . ALA A 1 9   ? 3.496   22.918 31.868  1.000 33.127  ? 9   ALA HHH CA   1 
ATOM   125  C C    . ALA A 1 9   ? 4.767   23.373 32.582  1.000 34.240  ? 9   ALA HHH C    1 
ATOM   126  O O    . ALA A 1 9   ? 5.060   22.828 33.635  1.000 32.064  ? 9   ALA HHH O    1 
ATOM   127  C CB   . ALA A 1 9   ? 2.324   23.804 32.224  1.000 33.980  ? 9   ALA HHH CB   1 
ATOM   128  H H    . ALA A 1 9   ? 2.413   21.448 32.720  1.000 32.313  ? 9   ALA HHH H    1 
ATOM   129  H HA   . ALA A 1 9   ? 3.643   22.938 30.894  1.000 32.294  ? 9   ALA HHH HA   1 
ATOM   130  H HB1  . ALA A 1 9   ? 2.489   24.705 31.899  1.000 33.525  ? 9   ALA HHH HB1  1 
ATOM   131  H HB2  . ALA A 1 9   ? 1.516   23.456 31.812  1.000 33.441  ? 9   ALA HHH HB2  1 
ATOM   132  H HB3  . ALA A 1 9   ? 2.213   23.824 33.189  1.000 34.422  ? 9   ALA HHH HB3  1 
ATOM   133  N N    . GLU A 1 10  ? 5.527   24.300 32.006  1.000 36.407  ? 10  GLU HHH N    1 
ATOM   134  C CA   . GLU A 1 10  ? 6.768   24.795 32.652  1.000 37.625  ? 10  GLU HHH CA   1 
ATOM   135  C C    . GLU A 1 10  ? 6.872   26.311 32.515  1.000 35.047  ? 10  GLU HHH C    1 
ATOM   136  O O    . GLU A 1 10  ? 6.398   26.882 31.497  1.000 34.476  ? 10  GLU HHH O    1 
ATOM   137  C CB   . GLU A 1 10  ? 7.968   24.086 32.017  1.000 42.002  ? 10  GLU HHH CB   1 
ATOM   138  C CG   . GLU A 1 10  ? 7.967   22.620 32.376  1.000 47.467  ? 10  GLU HHH CG   1 
ATOM   139  C CD   . GLU A 1 10  ? 9.254   21.866 32.136  1.000 51.800  ? 10  GLU HHH CD   1 
ATOM   140  O OE1  . GLU A 1 10  ? 10.196  22.089 32.937  1.000 53.702  ? 10  GLU HHH OE1  1 
ATOM   141  O OE2  . GLU A 1 10  ? 9.278   21.014 31.177  1.000 53.539  ? 10  GLU HHH OE2  1 
ATOM   142  H H    . GLU A 1 10  ? 5.336   24.677 31.198  1.000 35.346  ? 10  GLU HHH H    1 
ATOM   143  H HA   . GLU A 1 10  ? 6.735   24.568 33.609  1.000 38.495  ? 10  GLU HHH HA   1 
ATOM   144  H HB2  . GLU A 1 10  ? 7.924   24.187 31.043  1.000 41.397  ? 10  GLU HHH HB2  1 
ATOM   145  H HB3  . GLU A 1 10  ? 8.795   24.503 32.336  1.000 42.710  ? 10  GLU HHH HB3  1 
ATOM   146  H HG2  . GLU A 1 10  ? 7.738   22.531 33.325  1.000 47.598  ? 10  GLU HHH HG2  1 
ATOM   147  H HG3  . GLU A 1 10  ? 7.258   22.176 31.865  1.000 46.311  ? 10  GLU HHH HG3  1 
ATOM   148  N N    . VAL A 1 11  ? 7.483   26.930 33.513  1.000 35.585  ? 11  VAL HHH N    1 
ATOM   149  C CA   . VAL A 1 11  ? 7.889   28.351 33.430  1.000 36.876  ? 11  VAL HHH CA   1 
ATOM   150  C C    . VAL A 1 11  ? 9.418   28.339 33.464  1.000 36.619  ? 11  VAL HHH C    1 
ATOM   151  O O    . VAL A 1 11  ? 10.006  27.542 34.221  1.000 38.534  ? 11  VAL HHH O    1 
ATOM   152  C CB   . VAL A 1 11  ? 7.255   29.250 34.513  1.000 38.032  ? 11  VAL HHH CB   1 
ATOM   153  C CG1  . VAL A 1 11  ? 5.742   29.269 34.432  1.000 39.390  ? 11  VAL HHH CG1  1 
ATOM   154  C CG2  . VAL A 1 11  ? 7.707   28.886 35.909  1.000 42.138  ? 11  VAL HHH CG2  1 
ATOM   155  H H    . VAL A 1 11  ? 7.697   26.524 34.299  1.000 36.590  ? 11  VAL HHH H    1 
ATOM   156  H HA   . VAL A 1 11  ? 7.611   28.690 32.564  1.000 35.896  ? 11  VAL HHH HA   1 
ATOM   157  H HB   . VAL A 1 11  ? 7.567   30.172 34.337  1.000 39.187  ? 11  VAL HHH HB   1 
ATOM   158  H HG11 . VAL A 1 11  ? 5.466   29.542 33.541  1.000 37.980  ? 11  VAL HHH HG11 1 
ATOM   159  H HG12 . VAL A 1 11  ? 5.390   29.897 35.087  1.000 39.210  ? 11  VAL HHH HG12 1 
ATOM   160  H HG13 . VAL A 1 11  ? 5.396   28.378 34.620  1.000 38.495  ? 11  VAL HHH HG13 1 
ATOM   161  H HG21 . VAL A 1 11  ? 7.570   27.935 36.058  1.000 41.114  ? 11  VAL HHH HG21 1 
ATOM   162  H HG22 . VAL A 1 11  ? 7.190   29.392 36.560  1.000 41.695  ? 11  VAL HHH HG22 1 
ATOM   163  H HG23 . VAL A 1 11  ? 8.651   29.097 36.012  1.000 41.972  ? 11  VAL HHH HG23 1 
ATOM   164  N N    . LYS A 1 12  ? 10.010  29.136 32.583  1.000 35.452  ? 12  LYS HHH N    1 
ATOM   165  C CA   . LYS A 1 12  ? 11.476  29.289 32.412  1.000 37.089  ? 12  LYS HHH CA   1 
ATOM   166  C C    . LYS A 1 12  ? 11.832  30.766 32.335  1.000 38.386  ? 12  LYS HHH C    1 
ATOM   167  O O    . LYS A 1 12  ? 11.037  31.547 31.761  1.000 39.331  ? 12  LYS HHH O    1 
ATOM   168  C CB   . LYS A 1 12  ? 11.938  28.553 31.167  1.000 35.707  ? 12  LYS HHH CB   1 
ATOM   169  C CG   . LYS A 1 12  ? 11.769  27.053 31.274  1.000 35.025  ? 12  LYS HHH CG   1 
ATOM   170  C CD   . LYS A 1 12  ? 12.720  26.460 32.295  1.000 37.511  ? 12  LYS HHH CD   1 
ATOM   171  C CE   . LYS A 1 12  ? 12.409  24.999 32.510  1.000 36.305  ? 12  LYS HHH CE   1 
ATOM   172  N NZ   . LYS A 1 12  ? 13.592  24.290 32.985  1.000 39.123  ? 12  LYS HHH NZ   1 
ATOM   173  H H    . LYS A 1 12  ? 9.532   29.657 32.008  1.000 35.390  ? 12  LYS HHH H    1 
ATOM   174  H HA   . LYS A 1 12  ? 11.922  28.902 33.198  1.000 37.673  ? 12  LYS HHH HA   1 
ATOM   175  H HB2  . LYS A 1 12  ? 11.424  28.878 30.399  1.000 35.158  ? 12  LYS HHH HB2  1 
ATOM   176  H HB3  . LYS A 1 12  ? 12.884  28.757 31.011  1.000 36.622  ? 12  LYS HHH HB3  1 
ATOM   177  H HG2  . LYS A 1 12  ? 10.845  26.848 31.531  1.000 34.768  ? 12  LYS HHH HG2  1 
ATOM   178  H HG3  . LYS A 1 12  ? 11.939  26.648 30.398  1.000 34.787  ? 12  LYS HHH HG3  1 
ATOM   179  H HD2  . LYS A 1 12  ? 13.643  26.555 31.977  1.000 37.610  ? 12  LYS HHH HD2  1 
ATOM   180  H HD3  . LYS A 1 12  ? 12.634  26.938 33.146  1.000 37.765  ? 12  LYS HHH HD3  1 
ATOM   181  H HE2  . LYS A 1 12  ? 11.693  24.907 33.167  1.000 36.841  ? 12  LYS HHH HE2  1 
ATOM   182  H HE3  . LYS A 1 12  ? 12.109  24.597 31.673  1.000 35.938  ? 12  LYS HHH HE3  1 
ATOM   183  H HZ1  . LYS A 1 12  ? 14.224  24.278 32.336  1.000 38.578  ? 12  LYS HHH HZ1  1 
ATOM   184  H HZ2  . LYS A 1 12  ? 13.372  23.437 33.202  1.000 38.403  ? 12  LYS HHH HZ2  1 
ATOM   185  H HZ3  . LYS A 1 12  ? 13.926  24.706 33.719  1.000 39.568  ? 12  LYS HHH HZ3  1 
ATOM   186  N N    . LYS A 1 13  ? 12.976  31.119 32.908  1.000 39.037  ? 13  LYS HHH N    1 
ATOM   187  C CA   . LYS A 1 13  ? 13.529  32.477 32.755  1.000 41.083  ? 13  LYS HHH CA   1 
ATOM   188  C C    . LYS A 1 13  ? 14.143  32.549 31.377  1.000 41.142  ? 13  LYS HHH C    1 
ATOM   189  O O    . LYS A 1 13  ? 14.644  31.539 30.894  1.000 40.751  ? 13  LYS HHH O    1 
ATOM   190  C CB   . LYS A 1 13  ? 14.652  32.717 33.759  1.000 46.080  ? 13  LYS HHH CB   1 
ATOM   191  C CG   . LYS A 1 13  ? 14.259  32.637 35.218  1.000 48.139  ? 13  LYS HHH CG   1 
ATOM   192  C CD   . LYS A 1 13  ? 13.223  33.646 35.569  1.000 50.982  ? 13  LYS HHH CD   1 
ATOM   193  C CE   . LYS A 1 13  ? 13.151  33.902 37.058  1.000 54.324  ? 13  LYS HHH CE   1 
ATOM   194  N NZ   . LYS A 1 13  ? 11.749  34.157 37.436  1.000 55.886  ? 13  LYS HHH NZ   1 
ATOM   195  H H    . LYS A 1 13  ? 13.482  30.553 33.413  1.000 40.011  ? 13  LYS HHH H    1 
ATOM   196  H HA   . LYS A 1 13  ? 12.820  33.147 32.857  1.000 41.298  ? 13  LYS HHH HA   1 
ATOM   197  H HB2  . LYS A 1 13  ? 15.358  32.057 33.594  1.000 45.940  ? 13  LYS HHH HB2  1 
ATOM   198  H HB3  . LYS A 1 13  ? 15.032  33.604 33.590  1.000 46.565  ? 13  LYS HHH HB3  1 
ATOM   199  H HG2  . LYS A 1 13  ? 13.915  31.739 35.409  1.000 47.767  ? 13  LYS HHH HG2  1 
ATOM   200  H HG3  . LYS A 1 13  ? 15.055  32.783 35.773  1.000 49.936  ? 13  LYS HHH HG3  1 
ATOM   201  H HD2  . LYS A 1 13  ? 13.425  34.489 35.110  1.000 51.045  ? 13  LYS HHH HD2  1 
ATOM   202  H HD3  . LYS A 1 13  ? 12.348  33.331 35.255  1.000 49.376  ? 13  LYS HHH HD3  1 
ATOM   203  H HE2  . LYS A 1 13  ? 13.485  33.128 37.549  1.000 54.761  ? 13  LYS HHH HE2  1 
ATOM   204  H HE3  . LYS A 1 13  ? 13.697  34.677 37.291  1.000 55.697  ? 13  LYS HHH HE3  1 
ATOM   205  H HZ1  . LYS A 1 13  ? 11.395  34.794 36.897  1.000 54.627  ? 13  LYS HHH HZ1  1 
ATOM   206  H HZ2  . LYS A 1 13  ? 11.710  34.441 38.297  1.000 56.072  ? 13  LYS HHH HZ2  1 
ATOM   207  H HZ3  . LYS A 1 13  ? 11.265  33.394 37.354  1.000 54.147  ? 13  LYS HHH HZ3  1 
ATOM   208  N N    . PRO A 1 14  ? 14.262  33.748 30.777  1.000 42.266  ? 14  PRO HHH N    1 
ATOM   209  C CA   . PRO A 1 14  ? 15.088  33.923 29.581  1.000 41.311  ? 14  PRO HHH CA   1 
ATOM   210  C C    . PRO A 1 14  ? 16.489  33.368 29.801  1.000 42.474  ? 14  PRO HHH C    1 
ATOM   211  O O    . PRO A 1 14  ? 17.025  33.545 30.877  1.000 43.917  ? 14  PRO HHH O    1 
ATOM   212  C CB   . PRO A 1 14  ? 15.127  35.435 29.371  1.000 41.674  ? 14  PRO HHH CB   1 
ATOM   213  C CG   . PRO A 1 14  ? 13.806  35.855 29.967  1.000 42.256  ? 14  PRO HHH CG   1 
ATOM   214  C CD   . PRO A 1 14  ? 13.667  35.013 31.226  1.000 41.788  ? 14  PRO HHH CD   1 
ATOM   215  H HA   . PRO A 1 14  ? 14.654  33.485 28.807  1.000 40.282  ? 14  PRO HHH HA   1 
ATOM   216  H HB2  . PRO A 1 14  ? 15.880  35.846 29.847  1.000 43.636  ? 14  PRO HHH HB2  1 
ATOM   217  H HB3  . PRO A 1 14  ? 15.178  35.664 28.418  1.000 42.142  ? 14  PRO HHH HB3  1 
ATOM   218  H HG2  . PRO A 1 14  ? 13.810  36.809 30.185  1.000 42.750  ? 14  PRO HHH HG2  1 
ATOM   219  H HG3  . PRO A 1 14  ? 13.070  35.675 29.346  1.000 40.696  ? 14  PRO HHH HG3  1 
ATOM   220  H HD2  . PRO A 1 14  ? 14.163  35.396 31.973  1.000 43.332  ? 14  PRO HHH HD2  1 
ATOM   221  H HD3  . PRO A 1 14  ? 12.733  34.899 31.478  1.000 41.158  ? 14  PRO HHH HD3  1 
ATOM   222  N N    . GLY A 1 15  ? 17.000  32.670 28.794  1.000 41.776  ? 15  GLY HHH N    1 
ATOM   223  C CA   . GLY A 1 15  ? 18.370  32.152 28.787  1.000 42.714  ? 15  GLY HHH CA   1 
ATOM   224  C C    . GLY A 1 15  ? 18.410  30.712 29.258  1.000 42.658  ? 15  GLY HHH C    1 
ATOM   225  O O    . GLY A 1 15  ? 19.394  30.064 28.970  1.000 40.818  ? 15  GLY HHH O    1 
ATOM   226  H H    . GLY A 1 15  ? 16.521  32.473 28.044  1.000 40.794  ? 15  GLY HHH H    1 
ATOM   227  H HA2  . GLY A 1 15  ? 18.733  32.208 27.868  1.000 43.132  ? 15  GLY HHH HA2  1 
ATOM   228  H HA3  . GLY A 1 15  ? 18.934  32.709 29.379  1.000 44.404  ? 15  GLY HHH HA3  1 
ATOM   229  N N    . ALA A 1 16  ? 17.370  30.214 29.937  1.000 41.488  ? 16  ALA HHH N    1 
ATOM   230  C CA   . ALA A 1 16  ? 17.335  28.820 30.444  1.000 41.915  ? 16  ALA HHH CA   1 
ATOM   231  C C    . ALA A 1 16  ? 17.009  27.845 29.305  1.000 39.844  ? 16  ALA HHH C    1 
ATOM   232  O O    . ALA A 1 16  ? 16.831  28.254 28.148  1.000 38.748  ? 16  ALA HHH O    1 
ATOM   233  C CB   . ALA A 1 16  ? 16.362  28.675 31.594  1.000 43.015  ? 16  ALA HHH CB   1 
ATOM   234  H H    . ALA A 1 16  ? 16.615  30.681 30.137  1.000 41.273  ? 16  ALA HHH H    1 
ATOM   235  H HA   . ALA A 1 16  ? 18.236  28.599 30.778  1.000 42.986  ? 16  ALA HHH HA   1 
ATOM   236  H HB1  . ALA A 1 16  ? 16.357  27.755 31.905  1.000 42.294  ? 16  ALA HHH HB1  1 
ATOM   237  H HB2  . ALA A 1 16  ? 16.631  29.260 32.322  1.000 43.644  ? 16  ALA HHH HB2  1 
ATOM   238  H HB3  . ALA A 1 16  ? 15.470  28.919 31.297  1.000 41.547  ? 16  ALA HHH HB3  1 
ATOM   239  N N    . SER A 1 17  ? 17.026  26.560 29.632  1.000 41.331  ? 17  SER HHH N    1 
ATOM   240  C CA   . SER A 1 17  ? 16.660  25.417 28.749  1.000 42.054  ? 17  SER HHH CA   1 
ATOM   241  C C    . SER A 1 17  ? 15.359  24.783 29.229  1.000 38.195  ? 17  SER HHH C    1 
ATOM   242  O O    . SER A 1 17  ? 15.110  24.788 30.446  1.000 36.359  ? 17  SER HHH O    1 
ATOM   243  C CB   . SER A 1 17  ? 17.732  24.370 28.754  1.000 43.529  ? 17  SER HHH CB   1 
ATOM   244  O OG   . SER A 1 17  ? 18.732  24.746 27.841  1.000 50.882  ? 17  SER HHH OG   1 
ATOM   245  H H    . SER A 1 17  ? 17.282  26.274 30.458  1.000 41.959  ? 17  SER HHH H    1 
ATOM   246  H HA   . SER A 1 17  ? 16.534  25.753 27.822  1.000 40.866  ? 17  SER HHH HA   1 
ATOM   247  H HB2  . SER A 1 17  ? 18.115  24.287 29.657  1.000 45.625  ? 17  SER HHH HB2  1 
ATOM   248  H HB3  . SER A 1 17  ? 17.352  23.499 28.494  1.000 43.885  ? 17  SER HHH HB3  1 
ATOM   249  H HG   . SER A 1 17  ? 19.308  24.112 27.862  0.000 30.000  ? 17  SER HHH HG   1 
ATOM   250  N N    . VAL A 1 18  ? 14.658  24.129 28.321  1.000 35.647  ? 18  VAL HHH N    1 
ATOM   251  C CA   . VAL A 1 18  ? 13.512  23.268 28.714  1.000 35.575  ? 18  VAL HHH CA   1 
ATOM   252  C C    . VAL A 1 18  ? 13.599  21.938 27.974  1.000 34.327  ? 18  VAL HHH C    1 
ATOM   253  O O    . VAL A 1 18  ? 14.046  21.935 26.813  1.000 31.825  ? 18  VAL HHH O    1 
ATOM   254  C CB   . VAL A 1 18  ? 12.172  23.958 28.466  1.000 33.432  ? 18  VAL HHH CB   1 
ATOM   255  C CG1  . VAL A 1 18  ? 11.973  24.283 27.003  1.000 32.889  ? 18  VAL HHH CG1  1 
ATOM   256  C CG2  . VAL A 1 18  ? 11.041  23.108 29.007  1.000 34.411  ? 18  VAL HHH CG2  1 
ATOM   257  H H    . VAL A 1 18  ? 14.832  24.155 27.427  1.000 35.901  ? 18  VAL HHH H    1 
ATOM   258  H HA   . VAL A 1 18  ? 13.585  23.085 29.667  1.000 35.583  ? 18  VAL HHH HA   1 
ATOM   259  H HB   . VAL A 1 18  ? 12.179  24.809 28.968  1.000 34.482  ? 18  VAL HHH HB   1 
ATOM   260  H HG11 . VAL A 1 18  ? 12.771  24.712 26.651  1.000 33.414  ? 18  VAL HHH HG11 1 
ATOM   261  H HG12 . VAL A 1 18  ? 11.215  24.884 26.906  1.000 32.523  ? 18  VAL HHH HG12 1 
ATOM   262  H HG13 . VAL A 1 18  ? 11.801  23.464 26.507  1.000 32.338  ? 18  VAL HHH HG13 1 
ATOM   263  H HG21 . VAL A 1 18  ? 10.832  22.400 28.372  1.000 33.336  ? 18  VAL HHH HG21 1 
ATOM   264  H HG22 . VAL A 1 18  ? 10.253  23.664 29.140  1.000 33.639  ? 18  VAL HHH HG22 1 
ATOM   265  H HG23 . VAL A 1 18  ? 11.305  22.714 29.856  1.000 34.465  ? 18  VAL HHH HG23 1 
ATOM   266  N N    . ARG A 1 19  ? 13.226  20.856 28.645  1.000 34.439  ? 19  ARG HHH N    1 
ATOM   267  C CA   . ARG A 1 19  ? 13.076  19.538 27.979  1.000 38.582  ? 19  ARG HHH CA   1 
ATOM   268  C C    . ARG A 1 19  ? 11.645  19.053 28.147  1.000 35.476  ? 19  ARG HHH C    1 
ATOM   269  O O    . ARG A 1 19  ? 11.223  18.808 29.267  1.000 33.892  ? 19  ARG HHH O    1 
ATOM   270  C CB   . ARG A 1 19  ? 14.033  18.501 28.551  1.000 45.268  ? 19  ARG HHH CB   1 
ATOM   271  C CG   . ARG A 1 19  ? 15.486  18.866 28.287  1.000 53.926  ? 19  ARG HHH CG   1 
ATOM   272  C CD   . ARG A 1 19  ? 16.482  18.552 29.392  1.000 61.028  ? 19  ARG HHH CD   1 
ATOM   273  N NE   . ARG A 1 19  ? 15.979  18.666 30.760  1.000 72.723  ? 19  ARG HHH NE   1 
ATOM   274  C CZ   . ARG A 1 19  ? 16.718  18.924 31.838  1.000 74.580  ? 19  ARG HHH CZ   1 
ATOM   275  N NH1  . ARG A 1 19  ? 18.017  19.112 31.726  1.000 77.923  ? 19  ARG HHH NH1  1 
ATOM   276  N NH2  . ARG A 1 19  ? 16.150  18.993 33.028  1.000 75.811  ? 19  ARG HHH NH2  1 
ATOM   277  H H    . ARG A 1 19  ? 13.042  20.855 29.537  1.000 35.838  ? 19  ARG HHH H    1 
ATOM   278  H HA   . ARG A 1 19  ? 13.265  19.647 27.022  1.000 37.757  ? 19  ARG HHH HA   1 
ATOM   279  H HB2  . ARG A 1 19  ? 13.881  18.427 29.514  1.000 46.025  ? 19  ARG HHH HB2  1 
ATOM   280  H HB3  . ARG A 1 19  ? 13.841  17.630 28.144  1.000 45.042  ? 19  ARG HHH HB3  1 
ATOM   281  H HG2  . ARG A 1 19  ? 15.778  18.399 27.475  1.000 52.825  ? 19  ARG HHH HG2  1 
ATOM   282  H HG3  . ARG A 1 19  ? 15.537  19.827 28.098  1.000 53.106  ? 19  ARG HHH HG3  1 
ATOM   283  H HD2  . ARG A 1 19  ? 16.805  17.639 29.259  1.000 59.834  ? 19  ARG HHH HD2  1 
ATOM   284  H HD3  . ARG A 1 19  ? 17.242  19.157 29.290  1.000 62.235  ? 19  ARG HHH HD3  1 
ATOM   285  H HE   . ARG A 1 19  ? 15.131  18.537 30.888  1.000 69.487  ? 19  ARG HHH HE   1 
ATOM   286  H HH11 . ARG A 1 19  ? 18.403  19.085 30.945  1.000 75.631  ? 19  ARG HHH HH11 1 
ATOM   287  H HH12 . ARG A 1 19  ? 18.493  19.296 32.442  1.000 77.769  ? 19  ARG HHH HH12 1 
ATOM   288  H HH21 . ARG A 1 19  ? 15.283  18.862 33.110  1.000 74.791  ? 19  ARG HHH HH21 1 
ATOM   289  H HH22 . ARG A 1 19  ? 16.640  19.168 33.739  1.000 76.502  ? 19  ARG HHH HH22 1 
ATOM   290  N N    . VAL A 1 20  ? 10.952  18.885 27.047  1.000 32.843  ? 20  VAL HHH N    1 
ATOM   291  C CA   . VAL A 1 20  ? 9.550   18.400 27.053  1.000 32.152  ? 20  VAL HHH CA   1 
ATOM   292  C C    . VAL A 1 20  ? 9.594   16.904 26.777  1.000 33.186  ? 20  VAL HHH C    1 
ATOM   293  O O    . VAL A 1 20  ? 10.354  16.481 25.862  1.000 29.729  ? 20  VAL HHH O    1 
ATOM   294  C CB   . VAL A 1 20  ? 8.717   19.190 26.034  1.000 31.194  ? 20  VAL HHH CB   1 
ATOM   295  C CG1  . VAL A 1 20  ? 7.280   18.678 25.947  1.000 30.846  ? 20  VAL HHH CG1  1 
ATOM   296  C CG2  . VAL A 1 20  ? 8.719   20.658 26.426  1.000 32.482  ? 20  VAL HHH CG2  1 
ATOM   297  H H    . VAL A 1 20  ? 11.284  19.052 26.215  1.000 33.037  ? 20  VAL HHH H    1 
ATOM   298  H HA   . VAL A 1 20  ? 9.173   18.543 27.940  1.000 32.620  ? 20  VAL HHH HA   1 
ATOM   299  H HB   . VAL A 1 20  ? 9.142   19.099 25.146  1.000 31.301  ? 20  VAL HHH HB   1 
ATOM   300  H HG11 . VAL A 1 20  ? 7.265   17.827 25.476  1.000 30.731  ? 20  VAL HHH HG11 1 
ATOM   301  H HG12 . VAL A 1 20  ? 6.733   19.322 25.466  1.000 30.538  ? 20  VAL HHH HG12 1 
ATOM   302  H HG13 . VAL A 1 20  ? 6.923   18.557 26.844  1.000 31.114  ? 20  VAL HHH HG13 1 
ATOM   303  H HG21 . VAL A 1 20  ? 8.472   20.744 27.363  1.000 32.427  ? 20  VAL HHH HG21 1 
ATOM   304  H HG22 . VAL A 1 20  ? 8.079   21.143 25.877  1.000 31.766  ? 20  VAL HHH HG22 1 
ATOM   305  H HG23 . VAL A 1 20  ? 9.608   21.030 26.290  1.000 32.465  ? 20  VAL HHH HG23 1 
ATOM   306  N N    . SER A 1 21  ? 8.834   16.100 27.512  1.000 31.336  ? 21  SER HHH N    1 
ATOM   307  C CA   . SER A 1 21  ? 8.745   14.675 27.107  1.000 32.009  ? 21  SER HHH CA   1 
ATOM   308  C C    . SER A 1 21  ? 7.437   14.345 26.409  1.000 30.825  ? 21  SER HHH C    1 
ATOM   309  O O    . SER A 1 21  ? 6.469   15.132 26.418  1.000 30.539  ? 21  SER HHH O    1 
ATOM   310  C CB   . SER A 1 21  ? 9.057   13.707 28.182  1.000 35.494  ? 21  SER HHH CB   1 
ATOM   311  O OG   . SER A 1 21  ? 8.695   14.117 29.443  1.000 34.929  ? 21  SER HHH OG   1 
ATOM   312  H H    . SER A 1 21  ? 8.351   16.322 28.251  1.000 32.208  ? 21  SER HHH H    1 
ATOM   313  H HA   . SER A 1 21  ? 9.451   14.546 26.421  1.000 32.059  ? 21  SER HHH HA   1 
ATOM   314  H HB2  . SER A 1 21  ? 8.605   12.856 27.987  1.000 34.619  ? 21  SER HHH HB2  1 
ATOM   315  H HB3  . SER A 1 21  ? 10.021  13.535 28.174  1.000 34.841  ? 21  SER HHH HB3  1 
ATOM   316  H HG   . SER A 1 21  ? 8.192   13.089 29.744  0.000 30.000  ? 21  SER HHH HG   1 
ATOM   317  N N    . CYS A 1 22  ? 7.476   13.211 25.736  1.000 30.856  ? 22  CYS HHH N    1 
ATOM   318  C CA   . CYS A 1 22  ? 6.379   12.672 24.906  1.000 32.995  ? 22  CYS HHH CA   1 
ATOM   319  C C    . CYS A 1 22  ? 6.411   11.175 25.122  1.000 31.319  ? 22  CYS HHH C    1 
ATOM   320  O O    . CYS A 1 22  ? 7.235   10.489 24.468  1.000 31.824  ? 22  CYS HHH O    1 
ATOM   321  C CB   . CYS A 1 22  ? 6.579   13.062 23.453  1.000 36.044  ? 22  CYS HHH CB   1 
ATOM   322  S SG   . CYS A 1 22  ? 5.286   12.442 22.335  1.000 41.095  ? 22  CYS HHH SG   1 
ATOM   323  H H    . CYS A 1 22  ? 8.212   12.673 25.721  1.000 31.627  ? 22  CYS HHH H    1 
ATOM   324  H HA   . CYS A 1 22  ? 5.522   13.035 25.229  1.000 32.723  ? 22  CYS HHH HA   1 
ATOM   325  H HB2  . CYS A 1 22  ? 6.602   14.038 23.387  1.000 35.977  ? 22  CYS HHH HB2  1 
ATOM   326  H HB3  . CYS A 1 22  ? 7.443   12.721 23.146  1.000 36.281  ? 22  CYS HHH HB3  1 
ATOM   327  N N    . LYS A 1 23  ? 5.713   10.726 26.152  1.000 31.258  ? 23  LYS HHH N    1 
ATOM   328  C CA   . LYS A 1 23  ? 5.700   9.293  26.509  1.000 33.140  ? 23  LYS HHH CA   1 
ATOM   329  C C    . LYS A 1 23  ? 4.645   8.598  25.646  1.000 34.201  ? 23  LYS HHH C    1 
ATOM   330  O O    . LYS A 1 23  ? 3.459   9.002  25.717  1.000 35.625  ? 23  LYS HHH O    1 
ATOM   331  C CB   . LYS A 1 23  ? 5.382   9.088  27.985  1.000 37.433  ? 23  LYS HHH CB   1 
ATOM   332  C CG   . LYS A 1 23  ? 5.169   7.622  28.323  1.000 38.857  ? 23  LYS HHH CG   1 
ATOM   333  C CD   . LYS A 1 23  ? 5.016   7.387  29.753  1.000 44.363  ? 23  LYS HHH CD   1 
ATOM   334  C CE   . LYS A 1 23  ? 3.669   7.817  30.271  1.000 47.288  ? 23  LYS HHH CE   1 
ATOM   335  N NZ   . LYS A 1 23  ? 3.433   7.112  31.556  1.000 50.386  ? 23  LYS HHH NZ   1 
ATOM   336  H H    . LYS A 1 23  ? 5.209   11.261 26.690  1.000 31.765  ? 23  LYS HHH H    1 
ATOM   337  H HA   . LYS A 1 23  ? 6.584   8.907  26.314  1.000 33.729  ? 23  LYS HHH HA   1 
ATOM   338  H HB2  . LYS A 1 23  ? 6.121   9.439  28.523  1.000 36.787  ? 23  LYS HHH HB2  1 
ATOM   339  H HB3  . LYS A 1 23  ? 4.571   9.591  28.210  1.000 36.675  ? 23  LYS HHH HB3  1 
ATOM   340  H HG2  . LYS A 1 23  ? 4.368   7.299  27.859  1.000 39.831  ? 23  LYS HHH HG2  1 
ATOM   341  H HG3  . LYS A 1 23  ? 5.937   7.106  27.994  1.000 39.731  ? 23  LYS HHH HG3  1 
ATOM   342  H HD2  . LYS A 1 23  ? 5.137   6.431  29.935  1.000 44.689  ? 23  LYS HHH HD2  1 
ATOM   343  H HD3  . LYS A 1 23  ? 5.714   7.878  30.236  1.000 43.806  ? 23  LYS HHH HD3  1 
ATOM   344  H HE2  . LYS A 1 23  ? 3.653   8.782  30.417  1.000 46.447  ? 23  LYS HHH HE2  1 
ATOM   345  H HE3  . LYS A 1 23  ? 2.967   7.583  29.634  1.000 46.828  ? 23  LYS HHH HE3  1 
ATOM   346  H HZ1  . LYS A 1 23  ? 3.318   6.225  31.404  1.000 50.537  ? 23  LYS HHH HZ1  1 
ATOM   347  H HZ2  . LYS A 1 23  ? 2.689   7.443  31.955  1.000 50.281  ? 23  LYS HHH HZ2  1 
ATOM   348  H HZ3  . LYS A 1 23  ? 4.143   7.230  32.108  1.000 50.192  ? 23  LYS HHH HZ3  1 
ATOM   349  N N    . ALA A 1 24  ? 5.050   7.664  24.803  1.000 34.744  ? 24  ALA HHH N    1 
ATOM   350  C CA   . ALA A 1 24  ? 4.125   6.854  23.986  1.000 37.407  ? 24  ALA HHH CA   1 
ATOM   351  C C    . ALA A 1 24  ? 3.491   5.753  24.834  1.000 36.845  ? 24  ALA HHH C    1 
ATOM   352  O O    . ALA A 1 24  ? 4.211   5.032  25.515  1.000 39.487  ? 24  ALA HHH O    1 
ATOM   353  C CB   . ALA A 1 24  ? 4.844   6.263  22.804  1.000 38.832  ? 24  ALA HHH CB   1 
ATOM   354  H H    . ALA A 1 24  ? 5.925   7.449  24.665  1.000 35.064  ? 24  ALA HHH H    1 
ATOM   355  H HA   . ALA A 1 24  ? 3.407   7.443  23.654  1.000 36.623  ? 24  ALA HHH HA   1 
ATOM   356  H HB1  . ALA A 1 24  ? 4.270   5.613  22.366  1.000 38.748  ? 24  ALA HHH HB1  1 
ATOM   357  H HB2  . ALA A 1 24  ? 5.072   6.968  22.176  1.000 37.630  ? 24  ALA HHH HB2  1 
ATOM   358  H HB3  . ALA A 1 24  ? 5.657   5.823  23.104  1.000 38.456  ? 24  ALA HHH HB3  1 
ATOM   359  N N    . SER A 1 25  ? 2.190   5.563  24.753  1.000 36.817  ? 25  SER HHH N    1 
ATOM   360  C CA   . SER A 1 25  ? 1.613   4.288  25.236  1.000 42.468  ? 25  SER HHH CA   1 
ATOM   361  C C    . SER A 1 25  ? 0.622   3.733  24.192  1.000 41.476  ? 25  SER HHH C    1 
ATOM   362  O O    . SER A 1 25  ? 0.105   4.515  23.396  1.000 40.327  ? 25  SER HHH O    1 
ATOM   363  C CB   . SER A 1 25  ? 1.031   4.428  26.621  1.000 45.188  ? 25  SER HHH CB   1 
ATOM   364  O OG   . SER A 1 25  ? -0.165  5.147  26.553  1.000 46.387  ? 25  SER HHH OG   1 
ATOM   365  H H    . SER A 1 25  ? 1.578   6.152  24.422  1.000 37.593  ? 25  SER HHH H    1 
ATOM   366  H HA   . SER A 1 25  ? 2.359   3.634  25.297  1.000 41.879  ? 25  SER HHH HA   1 
ATOM   367  H HB2  . SER A 1 25  ? 0.862   3.536  27.001  1.000 46.165  ? 25  SER HHH HB2  1 
ATOM   368  H HB3  . SER A 1 25  ? 1.670   4.898  27.204  1.000 44.670  ? 25  SER HHH HB3  1 
ATOM   369  H HG   . SER A 1 25  ? -0.435  5.235  27.349  0.000 30.000  ? 25  SER HHH HG   1 
ATOM   370  N N    . GLY A 1 26  ? 0.501   2.409  24.092  1.000 40.853  ? 26  GLY HHH N    1 
ATOM   371  C CA   . GLY A 1 26  ? -0.323  1.772  23.052  1.000 43.256  ? 26  GLY HHH CA   1 
ATOM   372  C C    . GLY A 1 26  ? 0.437   1.458  21.775  1.000 43.105  ? 26  GLY HHH C    1 
ATOM   373  O O    . GLY A 1 26  ? -0.170  0.818  20.918  1.000 46.691  ? 26  GLY HHH O    1 
ATOM   374  H H    . GLY A 1 26  ? 0.919   1.832  24.660  1.000 42.229  ? 26  GLY HHH H    1 
ATOM   375  H HA2  . GLY A 1 26  ? -0.698  0.932  23.418  1.000 44.226  ? 26  GLY HHH HA2  1 
ATOM   376  H HA3  . GLY A 1 26  ? -1.083  2.367  22.836  1.000 42.885  ? 26  GLY HHH HA3  1 
ATOM   377  N N    . PHE A 1 27  ? 1.728   1.789  21.649  1.000 40.893  ? 27  PHE HHH N    1 
ATOM   378  C CA   . PHE A 1 27  ? 2.544   1.428  20.461  1.000 40.737  ? 27  PHE HHH CA   1 
ATOM   379  C C    . PHE A 1 27  ? 4.064   1.377  20.780  1.000 38.337  ? 27  PHE HHH C    1 
ATOM   380  O O    . PHE A 1 27  ? 4.247   2.050  21.878  1.000 38.879  ? 27  PHE HHH O    1 
ATOM   381  C CB   . PHE A 1 27  ? 2.156   2.422  19.367  1.000 39.862  ? 27  PHE HHH CB   1 
ATOM   382  C CG   . PHE A 1 27  ? 2.630   3.844  19.549  1.000 37.100  ? 27  PHE HHH CG   1 
ATOM   383  C CD1  . PHE A 1 27  ? 1.899   4.755  20.300  1.000 38.244  ? 27  PHE HHH CD1  1 
ATOM   384  C CD2  . PHE A 1 27  ? 3.784   4.295  18.920  1.000 35.923  ? 27  PHE HHH CD2  1 
ATOM   385  C CE1  . PHE A 1 27  ? 2.317   6.074  20.439  1.000 35.502  ? 27  PHE HHH CE1  1 
ATOM   386  C CE2  . PHE A 1 27  ? 4.204   5.612  19.049  1.000 35.551  ? 27  PHE HHH CE2  1 
ATOM   387  C CZ   . PHE A 1 27  ? 3.454   6.513  19.781  1.000 36.420  ? 27  PHE HHH CZ   1 
ATOM   388  H H    . PHE A 1 27  ? 2.198   2.258  22.273  1.000 40.713  ? 27  PHE HHH H    1 
ATOM   389  H HA   . PHE A 1 27  ? 2.270   0.524  20.164  1.000 41.238  ? 27  PHE HHH HA   1 
ATOM   390  H HB2  . PHE A 1 27  ? 2.508   2.086  18.517  1.000 39.548  ? 27  PHE HHH HB2  1 
ATOM   391  H HB3  . PHE A 1 27  ? 1.179   2.429  19.295  1.000 40.111  ? 27  PHE HHH HB3  1 
ATOM   392  H HD1  . PHE A 1 27  ? 1.105   4.471  20.725  1.000 38.232  ? 27  PHE HHH HD1  1 
ATOM   393  H HD2  . PHE A 1 27  ? 4.286   3.696  18.391  1.000 36.379  ? 27  PHE HHH HD2  1 
ATOM   394  H HE1  . PHE A 1 27  ? 1.805   6.678  20.952  1.000 36.187  ? 27  PHE HHH HE1  1 
ATOM   395  H HE2  . PHE A 1 27  ? 4.991   5.898  18.613  1.000 35.212  ? 27  PHE HHH HE2  1 
ATOM   396  H HZ   . PHE A 1 27  ? 3.757   7.398  19.894  1.000 35.134  ? 27  PHE HHH HZ   1 
ATOM   397  N N    . VAL A 1 28  ? 7.410   3.037  20.164  1.000 34.945  ? 29  VAL HHH N    1 
ATOM   398  C CA   . VAL A 1 28  ? 7.892   4.426  19.806  1.000 34.265  ? 29  VAL HHH CA   1 
ATOM   399  C C    . VAL A 1 28  ? 8.967   4.330  18.717  1.000 31.937  ? 29  VAL HHH C    1 
ATOM   400  O O    . VAL A 1 28  ? 8.801   4.913  17.612  1.000 31.501  ? 29  VAL HHH O    1 
ATOM   401  C CB   . VAL A 1 28  ? 8.490   5.270  20.965  1.000 36.983  ? 29  VAL HHH CB   1 
ATOM   402  C CG1  . VAL A 1 28  ? 9.917   4.877  21.337  1.000 35.537  ? 29  VAL HHH CG1  1 
ATOM   403  C CG2  . VAL A 1 28  ? 8.496   6.756  20.619  1.000 38.737  ? 29  VAL HHH CG2  1 
ATOM   404  H H    . VAL A 1 28  ? 8.074   2.573  20.581  1.000 35.321  ? 29  VAL HHH H    1 
ATOM   405  H HA   . VAL A 1 28  ? 7.136   4.916  19.436  1.000 34.147  ? 29  VAL HHH HA   1 
ATOM   406  H HB   . VAL A 1 28  ? 7.917   5.142  21.761  1.000 36.848  ? 29  VAL HHH HB   1 
ATOM   407  H HG11 . VAL A 1 28  ? 9.986   3.908  21.384  1.000 36.595  ? 29  VAL HHH HG11 1 
ATOM   408  H HG12 . VAL A 1 28  ? 10.142  5.258  22.203  1.000 36.105  ? 29  VAL HHH HG12 1 
ATOM   409  H HG13 . VAL A 1 28  ? 10.537  5.215  20.666  1.000 35.728  ? 29  VAL HHH HG13 1 
ATOM   410  H HG21 . VAL A 1 28  ? 9.099   6.915  19.872  1.000 37.686  ? 29  VAL HHH HG21 1 
ATOM   411  H HG22 . VAL A 1 28  ? 8.795   7.268  21.390  1.000 37.816  ? 29  VAL HHH HG22 1 
ATOM   412  H HG23 . VAL A 1 28  ? 7.597   7.037  20.374  1.000 37.794  ? 29  VAL HHH HG23 1 
ATOM   413  N N    . THR A 1 29  ? 9.762   2.956  18.467  1.000 34.531  ? 31  THR HHH N    1 
ATOM   414  C CA   . THR A 1 29  ? 10.724  2.834  17.349  1.000 35.047  ? 31  THR HHH CA   1 
ATOM   415  C C    . THR A 1 29  ? 9.968   2.491  16.062  1.000 35.708  ? 31  THR HHH C    1 
ATOM   416  O O    . THR A 1 29  ? 10.589  2.522  15.003  1.000 36.375  ? 31  THR HHH O    1 
ATOM   417  C CB   . THR A 1 29  ? 11.772  1.818  17.777  1.000 37.179  ? 31  THR HHH CB   1 
ATOM   418  O OG1  . THR A 1 29  ? 10.997  0.691  18.153  1.000 38.156  ? 31  THR HHH OG1  1 
ATOM   419  C CG2  . THR A 1 29  ? 12.589  2.246  18.981  1.000 39.145  ? 31  THR HHH CG2  1 
ATOM   420  H H    . THR A 1 29  ? 9.513   2.119  18.747  1.000 35.271  ? 31  THR HHH H    1 
ATOM   421  H HA   . THR A 1 29  ? 11.165  3.704  17.228  1.000 34.826  ? 31  THR HHH HA   1 
ATOM   422  H HB   . THR A 1 29  ? 12.359  1.596  17.017  1.000 37.394  ? 31  THR HHH HB   1 
ATOM   423  H HG1  . THR A 1 29  ? 11.502  0.093  18.419  0.000 30.000  ? 31  THR HHH HG1  1 
ATOM   424  H HG21 . THR A 1 29  ? 12.831  3.185  18.893  1.000 38.017  ? 31  THR HHH HG21 1 
ATOM   425  H HG22 . THR A 1 29  ? 13.399  1.707  19.032  1.000 38.889  ? 31  THR HHH HG22 1 
ATOM   426  H HG23 . THR A 1 29  ? 12.066  2.121  19.792  1.000 38.692  ? 31  THR HHH HG23 1 
ATOM   427  N N    . ASP A 1 30  ? 8.653   2.282  16.134  1.000 35.896  ? 32  ASP HHH N    1 
ATOM   428  C CA   . ASP A 1 30  ? 7.806   1.898  14.979  1.000 35.803  ? 32  ASP HHH CA   1 
ATOM   429  C C    . ASP A 1 30  ? 7.366   3.125  14.165  1.000 34.793  ? 32  ASP HHH C    1 
ATOM   430  O O    . ASP A 1 30  ? 6.986   2.934  13.003  1.000 31.075  ? 32  ASP HHH O    1 
ATOM   431  C CB   . ASP A 1 30  ? 6.573   1.145  15.461  1.000 37.303  ? 32  ASP HHH CB   1 
ATOM   432  C CG   . ASP A 1 30  ? 6.806   -0.319 15.793  1.000 39.570  ? 32  ASP HHH CG   1 
ATOM   433  O OD1  . ASP A 1 30  ? 7.823   -0.888 15.381  1.000 39.262  ? 32  ASP HHH OD1  1 
ATOM   434  O OD2  . ASP A 1 30  ? 5.989   -0.843 16.496  1.000 43.151  ? 32  ASP HHH OD2  1 
ATOM   435  H H    . ASP A 1 30  ? 8.186   2.346  16.908  1.000 35.781  ? 32  ASP HHH H    1 
ATOM   436  H HA   . ASP A 1 30  ? 8.330   1.303  14.392  1.000 36.295  ? 32  ASP HHH HA   1 
ATOM   437  H HB2  . ASP A 1 30  ? 6.221   1.587  16.260  1.000 37.189  ? 32  ASP HHH HB2  1 
ATOM   438  H HB3  . ASP A 1 30  ? 5.886   1.188  14.765  1.000 37.749  ? 32  ASP HHH HB3  1 
ATOM   439  N N    . TYR A 1 31  ? 7.380   4.332  14.745  1.000 31.683  ? 33  TYR HHH N    1 
ATOM   440  C CA   . TYR A 1 31  ? 6.776   5.532  14.118  1.000 30.586  ? 33  TYR HHH CA   1 
ATOM   441  C C    . TYR A 1 31  ? 7.692   6.752  14.224  1.000 30.067  ? 33  TYR HHH C    1 
ATOM   442  O O    . TYR A 1 31  ? 8.443   6.848  15.165  1.000 31.990  ? 33  TYR HHH O    1 
ATOM   443  C CB   . TYR A 1 31  ? 5.439   5.876  14.753  1.000 29.700  ? 33  TYR HHH CB   1 
ATOM   444  C CG   . TYR A 1 31  ? 4.358   4.863  14.527  1.000 31.898  ? 33  TYR HHH CG   1 
ATOM   445  C CD1  . TYR A 1 31  ? 4.255   3.738  15.335  1.000 34.040  ? 33  TYR HHH CD1  1 
ATOM   446  C CD2  . TYR A 1 31  ? 3.425   5.047  13.510  1.000 33.325  ? 33  TYR HHH CD2  1 
ATOM   447  C CE1  . TYR A 1 31  ? 3.246   2.809  15.105  1.000 38.339  ? 33  TYR HHH CE1  1 
ATOM   448  C CE2  . TYR A 1 31  ? 2.402   4.146  13.297  1.000 34.357  ? 33  TYR HHH CE2  1 
ATOM   449  C CZ   . TYR A 1 31  ? 2.323   3.021  14.086  1.000 37.105  ? 33  TYR HHH CZ   1 
ATOM   450  O OH   . TYR A 1 31  ? 1.347   2.120  13.849  1.000 41.523  ? 33  TYR HHH OH   1 
ATOM   451  H H    . TYR A 1 31  ? 7.755   4.505  15.557  1.000 31.710  ? 33  TYR HHH H    1 
ATOM   452  H HA   . TYR A 1 31  ? 6.626   5.344  13.159  1.000 31.031  ? 33  TYR HHH HA   1 
ATOM   453  H HB2  . TYR A 1 31  ? 5.574   5.982  15.718  1.000 29.897  ? 33  TYR HHH HB2  1 
ATOM   454  H HB3  . TYR A 1 31  ? 5.140   6.739  14.398  1.000 29.981  ? 33  TYR HHH HB3  1 
ATOM   455  H HD1  . TYR A 1 31  ? 4.883   3.592  16.023  1.000 34.080  ? 33  TYR HHH HD1  1 
ATOM   456  H HD2  . TYR A 1 31  ? 3.478   5.816  12.969  1.000 33.002  ? 33  TYR HHH HD2  1 
ATOM   457  H HE1  . TYR A 1 31  ? 3.181   2.039  15.647  1.000 37.444  ? 33  TYR HHH HE1  1 
ATOM   458  H HE2  . TYR A 1 31  ? 1.788   4.278  12.594  1.000 35.471  ? 33  TYR HHH HE2  1 
ATOM   459  H HH   . TYR A 1 31  ? 0.867   2.032  14.567  0.000 30.000  ? 33  TYR HHH HH   1 
ATOM   460  N N    . PHE A 1 32  ? 7.642   7.628  13.222  1.000 28.545  ? 34  PHE HHH N    1 
ATOM   461  C CA   . PHE A 1 32  ? 8.229   8.980  13.292  1.000 28.110  ? 34  PHE HHH CA   1 
ATOM   462  C C    . PHE A 1 32  ? 7.478   9.767  14.345  1.000 27.070  ? 34  PHE HHH C    1 
ATOM   463  O O    . PHE A 1 32  ? 6.238   9.750  14.421  1.000 28.230  ? 34  PHE HHH O    1 
ATOM   464  C CB   . PHE A 1 32  ? 8.206   9.692  11.943  1.000 29.247  ? 34  PHE HHH CB   1 
ATOM   465  C CG   . PHE A 1 32  ? 9.210   9.176  10.947  1.000 30.414  ? 34  PHE HHH CG   1 
ATOM   466  C CD1  . PHE A 1 32  ? 10.500  9.664  10.922  1.000 31.100  ? 34  PHE HHH CD1  1 
ATOM   467  C CD2  . PHE A 1 32  ? 8.855   8.212  10.015  1.000 31.761  ? 34  PHE HHH CD2  1 
ATOM   468  C CE1  . PHE A 1 32  ? 11.408  9.186  9.986   1.000 32.215  ? 34  PHE HHH CE1  1 
ATOM   469  C CE2  . PHE A 1 32  ? 9.758   7.754  9.072   1.000 32.139  ? 34  PHE HHH CE2  1 
ATOM   470  C CZ   . PHE A 1 32  ? 11.039  8.225  9.070   1.000 33.029  ? 34  PHE HHH CZ   1 
ATOM   471  H H    . PHE A 1 32  ? 7.244   7.456  12.421  1.000 29.356  ? 34  PHE HHH H    1 
ATOM   472  H HA   . PHE A 1 32  ? 9.172   8.893  13.581  1.000 28.027  ? 34  PHE HHH HA   1 
ATOM   473  H HB2  . PHE A 1 32  ? 7.310   9.599  11.561  1.000 29.505  ? 34  PHE HHH HB2  1 
ATOM   474  H HB3  . PHE A 1 32  ? 8.370   10.647 12.092  1.000 28.953  ? 34  PHE HHH HB3  1 
ATOM   475  H HD1  . PHE A 1 32  ? 10.767  10.320 11.546  1.000 30.638  ? 34  PHE HHH HD1  1 
ATOM   476  H HD2  . PHE A 1 32  ? 7.972   7.879  10.010  1.000 31.752  ? 34  PHE HHH HD2  1 
ATOM   477  H HE1  . PHE A 1 32  ? 12.289  9.523  9.979   1.000 32.189  ? 34  PHE HHH HE1  1 
ATOM   478  H HE2  . PHE A 1 32  ? 9.497   7.090  8.454   1.000 33.006  ? 34  PHE HHH HE2  1 
ATOM   479  H HZ   . PHE A 1 32  ? 11.662  7.909  8.434   1.000 33.244  ? 34  PHE HHH HZ   1 
ATOM   480  N N    . ILE A 1 33  ? 8.248   10.446 15.167  1.000 27.685  ? 35  ILE HHH N    1 
ATOM   481  C CA   . ILE A 1 33  ? 7.736   11.400 16.157  1.000 27.322  ? 35  ILE HHH CA   1 
ATOM   482  C C    . ILE A 1 33  ? 8.138   12.796 15.713  1.000 29.385  ? 35  ILE HHH C    1 
ATOM   483  O O    . ILE A 1 33  ? 9.309   13.018 15.346  1.000 30.301  ? 35  ILE HHH O    1 
ATOM   484  C CB   . ILE A 1 33  ? 8.292   11.073 17.536  1.000 28.664  ? 35  ILE HHH CB   1 
ATOM   485  C CG1  . ILE A 1 33  ? 7.929   9.647  17.935  1.000 31.245  ? 35  ILE HHH CG1  1 
ATOM   486  C CG2  . ILE A 1 33  ? 7.793   12.112 18.554  1.000 27.236  ? 35  ILE HHH CG2  1 
ATOM   487  C CD1  . ILE A 1 33  ? 6.437   9.446  18.177  1.000 32.426  ? 35  ILE HHH CD1  1 
ATOM   488  H H    . ILE A 1 33  ? 9.156   10.366 15.176  1.000 27.477  ? 35  ILE HHH H    1 
ATOM   489  H HA   . ILE A 1 33  ? 6.768   11.341 16.185  1.000 28.056  ? 35  ILE HHH HA   1 
ATOM   490  H HB   . ILE A 1 33  ? 9.278   11.135 17.490  1.000 28.610  ? 35  ILE HHH HB   1 
ATOM   491  H HG12 . ILE A 1 33  ? 8.221   9.034  17.228  1.000 31.174  ? 35  ILE HHH HG12 1 
ATOM   492  H HG13 . ILE A 1 33  ? 8.416   9.415  18.755  1.000 30.972  ? 35  ILE HHH HG13 1 
ATOM   493  H HG21 . ILE A 1 33  ? 8.387   12.883 18.551  1.000 27.453  ? 35  ILE HHH HG21 1 
ATOM   494  H HG22 . ILE A 1 33  ? 7.782   11.718 19.443  1.000 27.638  ? 35  ILE HHH HG22 1 
ATOM   495  H HG23 . ILE A 1 33  ? 6.894   12.397 18.317  1.000 27.522  ? 35  ILE HHH HG23 1 
ATOM   496  H HD11 . ILE A 1 33  ? 6.136   10.042 18.885  1.000 31.894  ? 35  ILE HHH HD11 1 
ATOM   497  H HD12 . ILE A 1 33  ? 6.273   8.525  18.443  1.000 32.480  ? 35  ILE HHH HD12 1 
ATOM   498  H HD13 . ILE A 1 33  ? 5.943   9.638  17.362  1.000 32.163  ? 35  ILE HHH HD13 1 
ATOM   499  N N    . GLN A 1 34  ? 7.199   13.717 15.795  1.000 28.760  ? 36  GLN HHH N    1 
ATOM   500  C CA   . GLN A 1 34  ? 7.356   15.088 15.307  1.000 27.764  ? 36  GLN HHH CA   1 
ATOM   501  C C    . GLN A 1 34  ? 7.006   16.056 16.432  1.000 28.006  ? 36  GLN HHH C    1 
ATOM   502  O O    . GLN A 1 34  ? 6.239   15.732 17.355  1.000 26.437  ? 36  GLN HHH O    1 
ATOM   503  C CB   . GLN A 1 34  ? 6.505   15.267 14.057  1.000 29.308  ? 36  GLN HHH CB   1 
ATOM   504  C CG   . GLN A 1 34  ? 6.792   14.213 13.018  1.000 30.347  ? 36  GLN HHH CG   1 
ATOM   505  C CD   . GLN A 1 34  ? 6.662   14.737 11.619  1.000 31.622  ? 36  GLN HHH CD   1 
ATOM   506  O OE1  . GLN A 1 34  ? 6.777   15.931 11.375  1.000 34.150  ? 36  GLN HHH OE1  1 
ATOM   507  N NE2  . GLN A 1 34  ? 6.426   13.836 10.690  1.000 31.475  ? 36  GLN HHH NE2  1 
ATOM   508  H H    . GLN A 1 34  ? 6.383   13.553 16.166  1.000 28.537  ? 36  GLN HHH H    1 
ATOM   509  H HA   . GLN A 1 34  ? 8.300   15.223 15.064  1.000 28.456  ? 36  GLN HHH HA   1 
ATOM   510  H HB2  . GLN A 1 34  ? 5.559   15.225 14.310  1.000 29.090  ? 36  GLN HHH HB2  1 
ATOM   511  H HB3  . GLN A 1 34  ? 6.680   16.156 13.683  1.000 29.349  ? 36  GLN HHH HB3  1 
ATOM   512  H HG2  . GLN A 1 34  ? 7.703   13.873 13.146  1.000 30.299  ? 36  GLN HHH HG2  1 
ATOM   513  H HG3  . GLN A 1 34  ? 6.171   13.463 13.140  1.000 30.375  ? 36  GLN HHH HG3  1 
ATOM   514  H HE21 . GLN A 1 34  ? 6.351   14.087 9.845   0.000 30.000  ? 36  GLN HHH HE21 1 
ATOM   515  H HE22 . GLN A 1 34  ? 6.348   12.983 10.905  0.000 30.000  ? 36  GLN HHH HE22 1 
ATOM   516  N N    . TRP A 1 35  ? 7.586   17.239 16.332  1.000 29.193  ? 37  TRP HHH N    1 
ATOM   517  C CA   . TRP A 1 35  ? 7.428   18.305 17.324  1.000 26.571  ? 37  TRP HHH CA   1 
ATOM   518  C C    . TRP A 1 35  ? 6.927   19.527 16.612  1.000 26.245  ? 37  TRP HHH C    1 
ATOM   519  O O    . TRP A 1 35  ? 7.529   19.893 15.573  1.000 28.138  ? 37  TRP HHH O    1 
ATOM   520  C CB   . TRP A 1 35  ? 8.729   18.545 18.046  1.000 27.846  ? 37  TRP HHH CB   1 
ATOM   521  C CG   . TRP A 1 35  ? 9.066   17.407 18.939  1.000 27.245  ? 37  TRP HHH CG   1 
ATOM   522  C CD1  . TRP A 1 35  ? 9.820   16.325 18.608  1.000 28.473  ? 37  TRP HHH CD1  1 
ATOM   523  C CD2  . TRP A 1 35  ? 8.698   17.237 20.301  1.000 28.093  ? 37  TRP HHH CD2  1 
ATOM   524  N NE1  . TRP A 1 35  ? 9.864   15.450 19.653  1.000 30.307  ? 37  TRP HHH NE1  1 
ATOM   525  C CE2  . TRP A 1 35  ? 9.248   16.008 20.723  1.000 27.816  ? 37  TRP HHH CE2  1 
ATOM   526  C CE3  . TRP A 1 35  ? 7.967   17.994 21.211  1.000 30.012  ? 37  TRP HHH CE3  1 
ATOM   527  C CZ2  . TRP A 1 35  ? 9.134   15.538 22.012  1.000 29.669  ? 37  TRP HHH CZ2  1 
ATOM   528  C CZ3  . TRP A 1 35  ? 7.798   17.495 22.482  1.000 31.119  ? 37  TRP HHH CZ3  1 
ATOM   529  C CH2  . TRP A 1 35  ? 8.375   16.289 22.876  1.000 31.670  ? 37  TRP HHH CH2  1 
ATOM   530  H H    . TRP A 1 35  ? 8.127   17.469 15.636  1.000 28.676  ? 37  TRP HHH H    1 
ATOM   531  H HA   . TRP A 1 35  ? 6.758   18.016 17.984  1.000 26.860  ? 37  TRP HHH HA   1 
ATOM   532  H HB2  . TRP A 1 35  ? 9.441   18.668 17.386  1.000 27.813  ? 37  TRP HHH HB2  1 
ATOM   533  H HB3  . TRP A 1 35  ? 8.652   19.366 18.574  1.000 27.438  ? 37  TRP HHH HB3  1 
ATOM   534  H HD1  . TRP A 1 35  ? 10.172  16.150 17.748  1.000 29.010  ? 37  TRP HHH HD1  1 
ATOM   535  H HE1  . TRP A 1 35  ? 10.337  14.711 19.670  1.000 29.497  ? 37  TRP HHH HE1  1 
ATOM   536  H HE3  . TRP A 1 35  ? 7.587   18.821 20.958  1.000 29.596  ? 37  TRP HHH HE3  1 
ATOM   537  H HZ2  . TRP A 1 35  ? 9.476   14.695 22.258  1.000 29.890  ? 37  TRP HHH HZ2  1 
ATOM   538  H HZ3  . TRP A 1 35  ? 7.321   18.004 23.117  1.000 30.656  ? 37  TRP HHH HZ3  1 
ATOM   539  H HH2  . TRP A 1 35  ? 8.245   15.984 23.757  1.000 31.039  ? 37  TRP HHH HH2  1 
ATOM   540  N N    . VAL A 1 36  ? 5.824   20.055 17.116  1.000 26.594  ? 38  VAL HHH N    1 
ATOM   541  C CA   . VAL A 1 36  ? 5.160   21.253 16.542  1.000 28.878  ? 38  VAL HHH CA   1 
ATOM   542  C C    . VAL A 1 36  ? 4.801   22.152 17.714  1.000 30.187  ? 38  VAL HHH C    1 
ATOM   543  O O    . VAL A 1 36  ? 4.285   21.622 18.711  1.000 30.393  ? 38  VAL HHH O    1 
ATOM   544  C CB   . VAL A 1 36  ? 3.926   20.850 15.731  1.000 29.814  ? 38  VAL HHH CB   1 
ATOM   545  C CG1  . VAL A 1 36  ? 3.162   22.063 15.242  1.000 31.149  ? 38  VAL HHH CG1  1 
ATOM   546  C CG2  . VAL A 1 36  ? 4.294   19.903 14.577  1.000 29.650  ? 38  VAL HHH CG2  1 
ATOM   547  H H    . VAL A 1 36  ? 5.398   19.714 17.846  1.000 26.634  ? 38  VAL HHH H    1 
ATOM   548  H HA   . VAL A 1 36  ? 5.788   21.719 15.963  1.000 29.302  ? 38  VAL HHH HA   1 
ATOM   549  H HB   . VAL A 1 36  ? 3.331   20.352 16.343  1.000 29.461  ? 38  VAL HHH HB   1 
ATOM   550  H HG11 . VAL A 1 36  ? 2.640   22.437 15.974  1.000 30.597  ? 38  VAL HHH HG11 1 
ATOM   551  H HG12 . VAL A 1 36  ? 2.564   21.802 14.520  1.000 31.229  ? 38  VAL HHH HG12 1 
ATOM   552  H HG13 . VAL A 1 36  ? 3.787   22.733 14.916  1.000 31.157  ? 38  VAL HHH HG13 1 
ATOM   553  H HG21 . VAL A 1 36  ? 5.024   20.287 14.061  1.000 30.159  ? 38  VAL HHH HG21 1 
ATOM   554  H HG22 . VAL A 1 36  ? 3.521   19.778 13.999  1.000 30.158  ? 38  VAL HHH HG22 1 
ATOM   555  H HG23 . VAL A 1 36  ? 4.571   19.043 14.937  1.000 29.560  ? 38  VAL HHH HG23 1 
ATOM   556  N N    . ARG A 1 37  ? 5.060   23.454 17.604  1.000 31.846  ? 39  ARG HHH N    1 
ATOM   557  C CA   . ARG A 1 37  ? 4.720   24.403 18.684  1.000 30.916  ? 39  ARG HHH CA   1 
ATOM   558  C C    . ARG A 1 37  ? 3.723   25.437 18.172  1.000 31.487  ? 39  ARG HHH C    1 
ATOM   559  O O    . ARG A 1 37  ? 3.617   25.672 16.926  1.000 31.307  ? 39  ARG HHH O    1 
ATOM   560  C CB   . ARG A 1 37  ? 5.985   25.041 19.246  1.000 31.463  ? 39  ARG HHH CB   1 
ATOM   561  C CG   . ARG A 1 37  ? 6.657   26.008 18.295  1.000 33.157  ? 39  ARG HHH CG   1 
ATOM   562  C CD   . ARG A 1 37  ? 7.695   26.760 19.094  1.000 35.964  ? 39  ARG HHH CD   1 
ATOM   563  N NE   . ARG A 1 37  ? 8.475   27.633 18.266  1.000 36.134  ? 39  ARG HHH NE   1 
ATOM   564  C CZ   . ARG A 1 37  ? 9.504   28.356 18.676  1.000 38.803  ? 39  ARG HHH CZ   1 
ATOM   565  N NH1  . ARG A 1 37  ? 9.952   28.319 19.919  1.000 38.389  ? 39  ARG HHH NH1  1 
ATOM   566  N NH2  . ARG A 1 37  ? 10.100  29.137 17.803  1.000 42.717  ? 39  ARG HHH NH2  1 
ATOM   567  H H    . ARG A 1 37  ? 5.452   23.830 16.873  1.000 31.769  ? 39  ARG HHH H    1 
ATOM   568  H HA   . ARG A 1 37  ? 4.289   23.896 19.406  1.000 30.797  ? 39  ARG HHH HA   1 
ATOM   569  H HB2  . ARG A 1 37  ? 5.754   25.516 20.071  1.000 31.534  ? 39  ARG HHH HB2  1 
ATOM   570  H HB3  . ARG A 1 37  ? 6.618   24.330 19.476  1.000 31.513  ? 39  ARG HHH HB3  1 
ATOM   571  H HG2  . ARG A 1 37  ? 7.087   25.521 17.560  1.000 33.675  ? 39  ARG HHH HG2  1 
ATOM   572  H HG3  . ARG A 1 37  ? 6.003   26.637 17.924  1.000 33.664  ? 39  ARG HHH HG3  1 
ATOM   573  H HD2  . ARG A 1 37  ? 7.249   27.288 19.790  1.000 35.072  ? 39  ARG HHH HD2  1 
ATOM   574  H HD3  . ARG A 1 37  ? 8.289   26.118 19.536  1.000 35.052  ? 39  ARG HHH HD3  1 
ATOM   575  H HE   . ARG A 1 37  ? 8.229   27.722 17.433  1.000 37.134  ? 39  ARG HHH HE   1 
ATOM   576  H HH11 . ARG A 1 37  ? 9.559   27.808 20.515  1.000 37.912  ? 39  ARG HHH HH11 1 
ATOM   577  H HH12 . ARG A 1 37  ? 10.642  28.813 20.151  1.000 39.178  ? 39  ARG HHH HH12 1 
ATOM   578  H HH21 . ARG A 1 37  ? 9.812   29.169 16.971  1.000 41.880  ? 39  ARG HHH HH21 1 
ATOM   579  H HH22 . ARG A 1 37  ? 10.793  29.623 18.049  1.000 42.365  ? 39  ARG HHH HH22 1 
ATOM   580  N N    . GLN A 1 38  ? 2.956   25.984 19.111  1.000 30.975  ? 40  GLN HHH N    1 
ATOM   581  C CA   . GLN A 1 38  ? 1.885   26.943 18.791  1.000 30.851  ? 40  GLN HHH CA   1 
ATOM   582  C C    . GLN A 1 38  ? 1.808   28.018 19.884  1.000 30.404  ? 40  GLN HHH C    1 
ATOM   583  O O    . GLN A 1 38  ? 1.432   27.720 21.008  1.000 31.691  ? 40  GLN HHH O    1 
ATOM   584  C CB   . GLN A 1 38  ? 0.605   26.173 18.516  1.000 30.741  ? 40  GLN HHH CB   1 
ATOM   585  C CG   . GLN A 1 38  ? -0.463  27.100 17.988  1.000 34.334  ? 40  GLN HHH CG   1 
ATOM   586  C CD   . GLN A 1 38  ? -1.701  26.384 17.538  1.000 36.104  ? 40  GLN HHH CD   1 
ATOM   587  O OE1  . GLN A 1 38  ? -1.912  25.230 17.879  1.000 36.671  ? 40  GLN HHH OE1  1 
ATOM   588  N NE2  . GLN A 1 38  ? -2.509  27.067 16.745  1.000 36.251  ? 40  GLN HHH NE2  1 
ATOM   589  H H    . GLN A 1 38  ? 3.045   25.799 19.999  1.000 30.670  ? 40  GLN HHH H    1 
ATOM   590  H HA   . GLN A 1 38  ? 2.141   27.395 17.955  1.000 31.328  ? 40  GLN HHH HA   1 
ATOM   591  H HB2  . GLN A 1 38  ? 0.787   25.470 17.859  1.000 31.513  ? 40  GLN HHH HB2  1 
ATOM   592  H HB3  . GLN A 1 38  ? 0.297   25.752 19.345  1.000 31.110  ? 40  GLN HHH HB3  1 
ATOM   593  H HG2  . GLN A 1 38  ? -0.706  27.741 18.690  1.000 33.847  ? 40  GLN HHH HG2  1 
ATOM   594  H HG3  . GLN A 1 38  ? -0.099  27.610 17.233  1.000 34.370  ? 40  GLN HHH HG3  1 
ATOM   595  H HE21 . GLN A 1 38  ? -3.255  26.706 16.465  0.000 30.000  ? 40  GLN HHH HE21 1 
ATOM   596  H HE22 . GLN A 1 38  ? -2.305  27.905 16.539  0.000 30.000  ? 40  GLN HHH HE22 1 
ATOM   597  N N    . ALA A 1 39  ? 2.217   29.230 19.551  1.000 32.834  ? 41  ALA HHH N    1 
ATOM   598  C CA   . ALA A 1 39  ? 2.095   30.430 20.405  1.000 36.120  ? 41  ALA HHH CA   1 
ATOM   599  C C    . ALA A 1 39  ? 0.636   30.859 20.484  1.000 36.909  ? 41  ALA HHH C    1 
ATOM   600  O O    . ALA A 1 39  ? -0.087  30.768 19.487  1.000 35.458  ? 41  ALA HHH O    1 
ATOM   601  C CB   . ALA A 1 39  ? 2.939   31.559 19.848  1.000 38.816  ? 41  ALA HHH CB   1 
ATOM   602  H H    . ALA A 1 39  ? 2.614   29.416 18.752  1.000 33.490  ? 41  ALA HHH H    1 
ATOM   603  H HA   . ALA A 1 39  ? 2.414   30.204 21.307  1.000 35.744  ? 41  ALA HHH HA   1 
ATOM   604  H HB1  . ALA A 1 39  ? 2.867   32.336 20.428  1.000 38.464  ? 41  ALA HHH HB1  1 
ATOM   605  H HB2  . ALA A 1 39  ? 3.868   31.278 19.800  1.000 38.352  ? 41  ALA HHH HB2  1 
ATOM   606  H HB3  . ALA A 1 39  ? 2.626   31.791 18.957  1.000 38.641  ? 41  ALA HHH HB3  1 
ATOM   607  N N    . PRO A 1 40  ? 0.198   31.405 21.638  1.000 39.111  ? 42  PRO HHH N    1 
ATOM   608  C CA   . PRO A 1 40  ? -1.204  31.754 21.848  1.000 39.992  ? 42  PRO HHH CA   1 
ATOM   609  C C    . PRO A 1 40  ? -1.618  32.781 20.788  1.000 40.509  ? 42  PRO HHH C    1 
ATOM   610  O O    . PRO A 1 40  ? -0.866  33.709 20.554  1.000 40.761  ? 42  PRO HHH O    1 
ATOM   611  C CB   . PRO A 1 40  ? -1.241  32.377 23.252  1.000 42.419  ? 42  PRO HHH CB   1 
ATOM   612  C CG   . PRO A 1 40  ? 0.032   31.892 23.918  1.000 42.619  ? 42  PRO HHH CG   1 
ATOM   613  C CD   . PRO A 1 40  ? 1.037   31.765 22.797  1.000 42.263  ? 42  PRO HHH CD   1 
ATOM   614  H HA   . PRO A 1 40  ? -1.773  30.945 21.810  1.000 39.968  ? 42  PRO HHH HA   1 
ATOM   615  H HB2  . PRO A 1 40  ? -1.256  33.357 23.202  1.000 42.333  ? 42  PRO HHH HB2  1 
ATOM   616  H HB3  . PRO A 1 40  ? -2.031  32.074 23.748  1.000 41.761  ? 42  PRO HHH HB3  1 
ATOM   617  H HG2  . PRO A 1 40  ? 0.341   32.535 24.589  1.000 42.669  ? 42  PRO HHH HG2  1 
ATOM   618  H HG3  . PRO A 1 40  ? -0.111  31.027 24.354  1.000 42.052  ? 42  PRO HHH HG3  1 
ATOM   619  H HD2  . PRO A 1 40  ? 1.504   32.608 22.644  1.000 42.121  ? 42  PRO HHH HD2  1 
ATOM   620  H HD3  . PRO A 1 40  ? 1.691   31.069 22.992  1.000 41.378  ? 42  PRO HHH HD3  1 
ATOM   621  N N    . GLY A 1 41  ? -2.721  32.514 20.098  1.000 39.828  ? 43  GLY HHH N    1 
ATOM   622  C CA   . GLY A 1 41  ? -3.253  33.355 19.012  1.000 39.725  ? 43  GLY HHH CA   1 
ATOM   623  C C    . GLY A 1 41  ? -2.509  33.163 17.707  1.000 40.817  ? 43  GLY HHH C    1 
ATOM   624  O O    . GLY A 1 41  ? -2.742  33.929 16.773  1.000 40.454  ? 43  GLY HHH O    1 
ATOM   625  H H    . GLY A 1 41  ? -3.224  31.772 20.265  1.000 39.508  ? 43  GLY HHH H    1 
ATOM   626  H HA2  . GLY A 1 41  ? -4.209  33.135 18.877  1.000 40.197  ? 43  GLY HHH HA2  1 
ATOM   627  H HA3  . GLY A 1 41  ? -3.194  34.305 19.284  1.000 40.421  ? 43  GLY HHH HA3  1 
ATOM   628  N N    . GLN A 1 42  ? -1.597  32.202 17.603  1.000 39.191  ? 44  GLN HHH N    1 
ATOM   629  C CA   . GLN A 1 42  ? -0.824  32.063 16.346  1.000 39.753  ? 44  GLN HHH CA   1 
ATOM   630  C C    . GLN A 1 42  ? -1.099  30.669 15.803  1.000 37.160  ? 44  GLN HHH C    1 
ATOM   631  O O    . GLN A 1 42  ? -1.731  29.848 16.504  1.000 34.779  ? 44  GLN HHH O    1 
ATOM   632  C CB   . GLN A 1 42  ? 0.677   32.357 16.549  1.000 43.798  ? 44  GLN HHH CB   1 
ATOM   633  C CG   . GLN A 1 42  ? 0.948   33.741 17.140  1.000 50.850  ? 44  GLN HHH CG   1 
ATOM   634  C CD   . GLN A 1 42  ? 2.420   34.116 17.185  1.000 63.023  ? 44  GLN HHH CD   1 
ATOM   635  O OE1  . GLN A 1 42  ? 3.155   33.977 16.198  1.000 63.274  ? 44  GLN HHH OE1  1 
ATOM   636  N NE2  . GLN A 1 42  ? 2.872   34.604 18.345  1.000 62.506  ? 44  GLN HHH NE2  1 
ATOM   637  H H    . GLN A 1 42  ? -1.406  31.595 18.254  1.000 38.830  ? 44  GLN HHH H    1 
ATOM   638  H HA   . GLN A 1 42  ? -1.176  32.713 15.697  1.000 40.799  ? 44  GLN HHH HA   1 
ATOM   639  H HB2  . GLN A 1 42  ? 1.052   31.674 17.144  1.000 43.569  ? 44  GLN HHH HB2  1 
ATOM   640  H HB3  . GLN A 1 42  ? 1.129   32.283 15.683  1.000 44.789  ? 44  GLN HHH HB3  1 
ATOM   641  H HG2  . GLN A 1 42  ? 0.468   34.412 16.609  1.000 52.308  ? 44  GLN HHH HG2  1 
ATOM   642  H HG3  . GLN A 1 42  ? 0.587   33.772 18.052  1.000 51.104  ? 44  GLN HHH HG3  1 
ATOM   643  H HE21 . GLN A 1 42  ? 3.754   34.811 18.411  0.000 30.000  ? 44  GLN HHH HE21 1 
ATOM   644  H HE22 . GLN A 1 42  ? 2.361   34.655 19.026  0.000 30.000  ? 44  GLN HHH HE22 1 
ATOM   645  N N    . GLY A 1 43  ? -0.593  30.422 14.607  1.000 36.430  ? 45  GLY HHH N    1 
ATOM   646  C CA   . GLY A 1 43  ? -0.679  29.115 13.962  1.000 36.821  ? 45  GLY HHH CA   1 
ATOM   647  C C    . GLY A 1 43  ? 0.406   28.171 14.435  1.000 34.985  ? 45  GLY HHH C    1 
ATOM   648  O O    . GLY A 1 43  ? 1.397   28.523 15.062  1.000 38.416  ? 45  GLY HHH O    1 
ATOM   649  H H    . GLY A 1 43  ? -0.162  31.058 14.117  1.000 37.565  ? 45  GLY HHH H    1 
ATOM   650  H HA2  . GLY A 1 43  ? -1.566  28.723 14.156  1.000 36.274  ? 45  GLY HHH HA2  1 
ATOM   651  H HA3  . GLY A 1 43  ? -0.606  29.236 12.984  1.000 37.271  ? 45  GLY HHH HA3  1 
ATOM   652  N N    . PRO A 1 44  ? 0.244   26.896 14.103  1.000 33.902  ? 46  PRO HHH N    1 
ATOM   653  C CA   . PRO A 1 44  ? 1.267   25.916 14.413  1.000 33.281  ? 46  PRO HHH CA   1 
ATOM   654  C C    . PRO A 1 44  ? 2.554   26.157 13.602  1.000 34.044  ? 46  PRO HHH C    1 
ATOM   655  O O    . PRO A 1 44  ? 2.499   26.660 12.489  1.000 32.034  ? 46  PRO HHH O    1 
ATOM   656  C CB   . PRO A 1 44  ? 0.614   24.587 14.050  1.000 34.445  ? 46  PRO HHH CB   1 
ATOM   657  C CG   . PRO A 1 44  ? -0.566  24.922 13.173  1.000 35.367  ? 46  PRO HHH CG   1 
ATOM   658  C CD   . PRO A 1 44  ? -0.928  26.362 13.413  1.000 35.332  ? 46  PRO HHH CD   1 
ATOM   659  H HA   . PRO A 1 44  ? 1.462   25.935 15.383  1.000 32.968  ? 46  PRO HHH HA   1 
ATOM   660  H HB2  . PRO A 1 44  ? 1.246   24.011 13.569  1.000 34.256  ? 46  PRO HHH HB2  1 
ATOM   661  H HB3  . PRO A 1 44  ? 0.317   24.117 14.858  1.000 33.599  ? 46  PRO HHH HB3  1 
ATOM   662  H HG2  . PRO A 1 44  ? -0.337  24.785 12.231  1.000 35.911  ? 46  PRO HHH HG2  1 
ATOM   663  H HG3  . PRO A 1 44  ? -1.324  24.343 13.391  1.000 35.174  ? 46  PRO HHH HG3  1 
ATOM   664  H HD2  . PRO A 1 44  ? -1.082  26.829 12.571  1.000 36.017  ? 46  PRO HHH HD2  1 
ATOM   665  H HD3  . PRO A 1 44  ? -1.726  26.436 13.969  1.000 34.976  ? 46  PRO HHH HD3  1 
ATOM   666  N N    . GLU A 1 45  ? 3.681   25.755 14.186  1.000 34.015  ? 47  GLU HHH N    1 
ATOM   667  C CA   . GLU A 1 45  ? 5.042   25.881 13.599  1.000 34.951  ? 47  GLU HHH CA   1 
ATOM   668  C C    . GLU A 1 45  ? 5.800   24.562 13.800  1.000 32.711  ? 47  GLU HHH C    1 
ATOM   669  O O    . GLU A 1 45  ? 5.980   24.107 14.965  1.000 29.390  ? 47  GLU HHH O    1 
ATOM   670  C CB   . GLU A 1 45  ? 5.790   27.044 14.253  1.000 37.268  ? 47  GLU HHH CB   1 
ATOM   671  C CG   . GLU A 1 45  ? 7.179   27.310 13.665  1.000 40.569  ? 47  GLU HHH CG   1 
ATOM   672  C CD   . GLU A 1 45  ? 7.925   28.399 14.410  1.000 42.338  ? 47  GLU HHH CD   1 
ATOM   673  O OE1  . GLU A 1 45  ? 7.567   29.596 14.219  1.000 50.508  ? 47  GLU HHH OE1  1 
ATOM   674  O OE2  . GLU A 1 45  ? 8.752   28.055 15.259  1.000 40.824  ? 47  GLU HHH OE2  1 
ATOM   675  H H    . GLU A 1 45  ? 3.683   25.366 15.010  1.000 33.347  ? 47  GLU HHH H    1 
ATOM   676  H HA   . GLU A 1 45  ? 4.955   26.058 12.635  1.000 35.660  ? 47  GLU HHH HA   1 
ATOM   677  H HB2  . GLU A 1 45  ? 5.247   27.854 14.160  1.000 37.633  ? 47  GLU HHH HB2  1 
ATOM   678  H HB3  . GLU A 1 45  ? 5.883   26.855 15.210  1.000 36.664  ? 47  GLU HHH HB3  1 
ATOM   679  H HG2  . GLU A 1 45  ? 7.711   26.487 13.696  1.000 40.022  ? 47  GLU HHH HG2  1 
ATOM   680  H HG3  . GLU A 1 45  ? 7.089   27.575 12.725  1.000 41.085  ? 47  GLU HHH HG3  1 
ATOM   681  N N    . TRP A 1 46  ? 6.156   23.936 12.691  1.000 32.666  ? 48  TRP HHH N    1 
ATOM   682  C CA   . TRP A 1 46  ? 6.903   22.668 12.707  1.000 33.835  ? 48  TRP HHH CA   1 
ATOM   683  C C    . TRP A 1 46  ? 8.321   22.943 13.202  1.000 33.285  ? 48  TRP HHH C    1 
ATOM   684  O O    . TRP A 1 46  ? 8.909   23.898 12.704  1.000 31.997  ? 48  TRP HHH O    1 
ATOM   685  C CB   . TRP A 1 46  ? 6.913   22.072 11.316  1.000 34.828  ? 48  TRP HHH CB   1 
ATOM   686  C CG   . TRP A 1 46  ? 7.644   20.781 11.278  1.000 36.342  ? 48  TRP HHH CG   1 
ATOM   687  C CD1  . TRP A 1 46  ? 7.100   19.558 11.520  1.000 35.981  ? 48  TRP HHH CD1  1 
ATOM   688  C CD2  . TRP A 1 46  ? 9.042   20.564 11.000  1.000 35.747  ? 48  TRP HHH CD2  1 
ATOM   689  N NE1  . TRP A 1 46  ? 8.062   18.599 11.397  1.000 35.877  ? 48  TRP HHH NE1  1 
ATOM   690  C CE2  . TRP A 1 46  ? 9.251   19.175 11.055  1.000 35.599  ? 48  TRP HHH CE2  1 
ATOM   691  C CE3  . TRP A 1 46  ? 10.119  21.381 10.657  1.000 35.667  ? 48  TRP HHH CE3  1 
ATOM   692  C CZ2  . TRP A 1 46  ? 10.491  18.589 10.812  1.000 34.773  ? 48  TRP HHH CZ2  1 
ATOM   693  C CZ3  . TRP A 1 46  ? 11.352  20.801 10.448  1.000 35.773  ? 48  TRP HHH CZ3  1 
ATOM   694  C CH2  . TRP A 1 46  ? 11.530  19.430 10.514  1.000 34.437  ? 48  TRP HHH CH2  1 
ATOM   695  H H    . TRP A 1 46  ? 5.966   24.244 11.855  1.000 33.863  ? 48  TRP HHH H    1 
ATOM   696  H HA   . TRP A 1 46  ? 6.451   22.042 13.320  1.000 32.771  ? 48  TRP HHH HA   1 
ATOM   697  H HB2  . TRP A 1 46  ? 5.988   21.935 11.025  1.000 35.231  ? 48  TRP HHH HB2  1 
ATOM   698  H HB3  . TRP A 1 46  ? 7.337   22.707 10.703  1.000 35.970  ? 48  TRP HHH HB3  1 
ATOM   699  H HD1  . TRP A 1 46  ? 6.196   19.391 11.738  1.000 35.401  ? 48  TRP HHH HD1  1 
ATOM   700  H HE1  . TRP A 1 46  ? 7.930   17.743 11.496  1.000 35.255  ? 48  TRP HHH HE1  1 
ATOM   701  H HE3  . TRP A 1 46  ? 10.012  22.317 10.599  1.000 36.289  ? 48  TRP HHH HE3  1 
ATOM   702  H HZ2  . TRP A 1 46  ? 10.615  17.661 10.892  1.000 34.592  ? 48  TRP HHH HZ2  1 
ATOM   703  H HZ3  . TRP A 1 46  ? 12.085  21.348 10.216  1.000 36.531  ? 48  TRP HHH HZ3  1 
ATOM   704  H HH2  . TRP A 1 46  ? 12.385  19.068 10.357  1.000 35.433  ? 48  TRP HHH HH2  1 
ATOM   705  N N    . MET A 1 47  ? 8.822   22.088 14.100  1.000 32.331  ? 49  MET HHH N    1 
ATOM   706  C CA   . MET A 1 47  ? 10.169  22.178 14.718  1.000 31.976  ? 49  MET HHH CA   1 
ATOM   707  C C    . MET A 1 47  ? 11.089  21.035 14.247  1.000 30.347  ? 49  MET HHH C    1 
ATOM   708  O O    . MET A 1 47  ? 12.283  21.302 14.072  1.000 30.043  ? 49  MET HHH O    1 
ATOM   709  C CB   . MET A 1 47  ? 10.043  22.116 16.248  1.000 31.517  ? 49  MET HHH CB   1 
ATOM   710  C CG   . MET A 1 47  ? 9.287   23.325 16.824  1.000 31.884  ? 49  MET HHH CG   1 
ATOM   711  S SD   . MET A 1 47  ? 9.056   23.136 18.593  1.000 34.694  ? 49  MET HHH SD   1 
ATOM   712  C CE   . MET A 1 47  ? 10.765  23.315 19.077  1.000 34.575  ? 49  MET HHH CE   1 
ATOM   713  H H    . MET A 1 47  ? 8.344   21.373 14.400  1.000 31.740  ? 49  MET HHH H    1 
ATOM   714  H HA   . MET A 1 47  ? 10.575  23.037 14.457  1.000 32.405  ? 49  MET HHH HA   1 
ATOM   715  H HB2  . MET A 1 47  ? 9.574   21.295 16.495  1.000 31.036  ? 49  MET HHH HB2  1 
ATOM   716  H HB3  . MET A 1 47  ? 10.939  22.080 16.636  1.000 31.800  ? 49  MET HHH HB3  1 
ATOM   717  H HG2  . MET A 1 47  ? 9.795   24.146 16.649  1.000 33.200  ? 49  MET HHH HG2  1 
ATOM   718  H HG3  . MET A 1 47  ? 8.411   23.405 16.390  1.000 32.442  ? 49  MET HHH HG3  1 
ATOM   719  H HE1  . MET A 1 47  ? 10.815  23.466 20.028  1.000 34.760  ? 49  MET HHH HE1  1 
ATOM   720  H HE2  . MET A 1 47  ? 11.249  22.511 18.854  1.000 34.829  ? 49  MET HHH HE2  1 
ATOM   721  H HE3  . MET A 1 47  ? 11.154  24.064 18.612  1.000 35.464  ? 49  MET HHH HE3  1 
ATOM   722  N N    . ALA A 1 48  ? 10.630  19.778 14.210  1.000 29.050  ? 50  ALA HHH N    1 
ATOM   723  C CA   . ALA A 1 48  ? 11.572  18.641 14.115  1.000 28.504  ? 50  ALA HHH CA   1 
ATOM   724  C C    . ALA A 1 48  ? 10.850  17.333 13.879  1.000 28.949  ? 50  ALA HHH C    1 
ATOM   725  O O    . ALA A 1 48  ? 9.667   17.215 14.219  1.000 28.440  ? 50  ALA HHH O    1 
ATOM   726  C CB   . ALA A 1 48  ? 12.396  18.519 15.382  1.000 30.417  ? 50  ALA HHH CB   1 
ATOM   727  H H    . ALA A 1 48  ? 9.753   19.532 14.239  1.000 28.710  ? 50  ALA HHH H    1 
ATOM   728  H HA   . ALA A 1 48  ? 12.177  18.804 13.357  1.000 29.857  ? 50  ALA HHH HA   1 
ATOM   729  H HB1  . ALA A 1 48  ? 12.964  17.733 15.326  1.000 29.842  ? 50  ALA HHH HB1  1 
ATOM   730  H HB2  . ALA A 1 48  ? 12.950  19.309 15.489  1.000 30.190  ? 50  ALA HHH HB2  1 
ATOM   731  H HB3  . ALA A 1 48  ? 11.803  18.435 16.148  1.000 29.209  ? 50  ALA HHH HB3  1 
ATOM   732  N N    . TRP A 1 49  ? 11.581  16.364 13.341  1.000 30.131  ? 51  TRP HHH N    1 
ATOM   733  C CA   . TRP A 1 49  ? 11.164  14.946 13.363  1.000 29.003  ? 51  TRP HHH CA   1 
ATOM   734  C C    . TRP A 1 49  ? 12.328  14.107 13.880  1.000 29.246  ? 51  TRP HHH C    1 
ATOM   735  O O    . TRP A 1 49  ? 13.487  14.564 13.790  1.000 31.902  ? 51  TRP HHH O    1 
ATOM   736  C CB   . TRP A 1 49  ? 10.557  14.500 12.020  1.000 31.081  ? 51  TRP HHH CB   1 
ATOM   737  C CG   . TRP A 1 49  ? 11.416  14.482 10.793  1.000 31.537  ? 51  TRP HHH CG   1 
ATOM   738  C CD1  . TRP A 1 49  ? 11.214  15.243 9.676   1.000 33.218  ? 51  TRP HHH CD1  1 
ATOM   739  C CD2  . TRP A 1 49  ? 12.434  13.531 10.448  1.000 32.188  ? 51  TRP HHH CD2  1 
ATOM   740  N NE1  . TRP A 1 49  ? 12.056  14.863 8.673   1.000 34.440  ? 51  TRP HHH NE1  1 
ATOM   741  C CE2  . TRP A 1 49  ? 12.843  13.830 9.128   1.000 35.531  ? 51  TRP HHH CE2  1 
ATOM   742  C CE3  . TRP A 1 49  ? 13.075  12.486 11.124  1.000 33.770  ? 51  TRP HHH CE3  1 
ATOM   743  C CZ2  . TRP A 1 49  ? 13.901  13.155 8.506   1.000 36.848  ? 51  TRP HHH CZ2  1 
ATOM   744  C CZ3  . TRP A 1 49  ? 14.060  11.758 10.481  1.000 34.353  ? 51  TRP HHH CZ3  1 
ATOM   745  C CH2  . TRP A 1 49  ? 14.494  12.116 9.206   1.000 35.592  ? 51  TRP HHH CH2  1 
ATOM   746  H H    . TRP A 1 49  ? 12.378  16.508 12.923  1.000 30.245  ? 51  TRP HHH H    1 
ATOM   747  H HA   . TRP A 1 49  ? 10.442  14.878 14.028  1.000 29.011  ? 51  TRP HHH HA   1 
ATOM   748  H HB2  . TRP A 1 49  ? 10.201  13.597 12.150  1.000 30.413  ? 51  TRP HHH HB2  1 
ATOM   749  H HB3  . TRP A 1 49  ? 9.791   15.083 11.842  1.000 30.587  ? 51  TRP HHH HB3  1 
ATOM   750  H HD1  . TRP A 1 49  ? 10.574  15.932 9.599   1.000 33.234  ? 51  TRP HHH HD1  1 
ATOM   751  H HE1  . TRP A 1 49  ? 12.151  15.276 7.907   1.000 35.490  ? 51  TRP HHH HE1  1 
ATOM   752  H HE3  . TRP A 1 49  ? 12.800  12.246 11.992  1.000 32.725  ? 51  TRP HHH HE3  1 
ATOM   753  H HZ2  . TRP A 1 49  ? 14.155  13.359 7.623   1.000 37.184  ? 51  TRP HHH HZ2  1 
ATOM   754  H HZ3  . TRP A 1 49  ? 14.513  11.075 10.949  1.000 34.206  ? 51  TRP HHH HZ3  1 
ATOM   755  H HH2  . TRP A 1 49  ? 15.182  11.620 8.797   1.000 36.109  ? 51  TRP HHH HH2  1 
ATOM   756  N N    . ILE A 1 50  ? 12.002  12.987 14.519  1.000 28.304  ? 52  ILE HHH N    1 
ATOM   757  C CA   . ILE A 1 50  ? 12.965  11.911 14.817  1.000 29.217  ? 52  ILE HHH CA   1 
ATOM   758  C C    . ILE A 1 50  ? 12.407  10.578 14.314  1.000 28.646  ? 52  ILE HHH C    1 
ATOM   759  O O    . ILE A 1 50  ? 11.206  10.311 14.435  1.000 28.598  ? 52  ILE HHH O    1 
ATOM   760  C CB   . ILE A 1 50  ? 13.351  11.926 16.307  1.000 29.722  ? 52  ILE HHH CB   1 
ATOM   761  C CG1  . ILE A 1 50  ? 14.409  10.874 16.621  1.000 30.099  ? 52  ILE HHH CG1  1 
ATOM   762  C CG2  . ILE A 1 50  ? 12.142  11.830 17.251  1.000 29.590  ? 52  ILE HHH CG2  1 
ATOM   763  C CD1  . ILE A 1 50  ? 15.012  11.041 18.025  1.000 31.561  ? 52  ILE HHH CD1  1 
ATOM   764  H H    . ILE A 1 50  ? 11.155  12.809 14.802  1.000 28.306  ? 52  ILE HHH H    1 
ATOM   765  H HA   . ILE A 1 50  ? 13.774  12.098 14.311  1.000 29.521  ? 52  ILE HHH HA   1 
ATOM   766  H HB   . ILE A 1 50  ? 13.773  12.803 16.476  1.000 29.776  ? 52  ILE HHH HB   1 
ATOM   767  H HG12 . ILE A 1 50  ? 14.004  9.983  16.553  1.000 30.359  ? 52  ILE HHH HG12 1 
ATOM   768  H HG13 . ILE A 1 50  ? 15.127  10.934 15.956  1.000 30.809  ? 52  ILE HHH HG13 1 
ATOM   769  H HG21 . ILE A 1 50  ? 11.513  12.545 17.051  1.000 29.268  ? 52  ILE HHH HG21 1 
ATOM   770  H HG22 . ILE A 1 50  ? 12.438  11.914 18.173  1.000 29.504  ? 52  ILE HHH HG22 1 
ATOM   771  H HG23 . ILE A 1 50  ? 11.701  10.971 17.131  1.000 29.484  ? 52  ILE HHH HG23 1 
ATOM   772  H HD11 . ILE A 1 50  ? 15.257  11.971 18.166  1.000 31.222  ? 52  ILE HHH HD11 1 
ATOM   773  H HD12 . ILE A 1 50  ? 15.805  10.483 18.107  1.000 31.553  ? 52  ILE HHH HD12 1 
ATOM   774  H HD13 . ILE A 1 50  ? 14.360  10.773 18.695  1.000 30.906  ? 52  ILE HHH HD13 1 
ATOM   775  N N    . ASN A 1 51  ? 13.301  9.780  13.757  1.000 28.347  ? 53  ASN HHH N    1 
ATOM   776  C CA   . ASN A 1 51  ? 13.129  8.334  13.548  1.000 29.366  ? 53  ASN HHH CA   1 
ATOM   777  C C    . ASN A 1 51  ? 13.699  7.661  14.787  1.000 29.648  ? 53  ASN HHH C    1 
ATOM   778  O O    . ASN A 1 51  ? 14.903  7.548  14.962  1.000 29.834  ? 53  ASN HHH O    1 
ATOM   779  C CB   . ASN A 1 51  ? 13.792  7.938  12.245  1.000 30.031  ? 53  ASN HHH CB   1 
ATOM   780  C CG   . ASN A 1 51  ? 13.630  6.482  11.896  1.000 30.297  ? 53  ASN HHH CG   1 
ATOM   781  O OD1  . ASN A 1 51  ? 13.451  5.641  12.769  1.000 29.947  ? 53  ASN HHH OD1  1 
ATOM   782  N ND2  . ASN A 1 51  ? 13.840  6.199  10.628  1.000 26.902  ? 53  ASN HHH ND2  1 
ATOM   783  H H    . ASN A 1 51  ? 14.105  10.089 13.460  1.000 29.041  ? 53  ASN HHH H    1 
ATOM   784  H HA   . ASN A 1 51  ? 12.169  8.132  13.474  1.000 29.161  ? 53  ASN HHH HA   1 
ATOM   785  H HB2  . ASN A 1 51  ? 13.417  8.480  11.525  1.000 30.162  ? 53  ASN HHH HB2  1 
ATOM   786  H HB3  . ASN A 1 51  ? 14.747  8.143  12.306  1.000 30.234  ? 53  ASN HHH HB3  1 
ATOM   787  H HD21 . ASN A 1 51  ? 13.756  5.382  10.340  0.000 30.000  ? 53  ASN HHH HD21 1 
ATOM   788  H HD22 . ASN A 1 51  ? 14.055  6.859  10.072  0.000 30.000  ? 53  ASN HHH HD22 1 
ATOM   789  N N    . PRO A 1 52  ? 12.853  7.229  15.735  1.000 30.454  ? 54  PRO HHH N    1 
ATOM   790  C CA   . PRO A 1 52  ? 13.353  6.601  16.955  1.000 33.198  ? 54  PRO HHH CA   1 
ATOM   791  C C    . PRO A 1 52  ? 13.945  5.212  16.706  1.000 35.144  ? 54  PRO HHH C    1 
ATOM   792  O O    . PRO A 1 52  ? 14.631  4.747  17.595  1.000 36.472  ? 54  PRO HHH O    1 
ATOM   793  C CB   . PRO A 1 52  ? 12.131  6.537  17.892  1.000 31.429  ? 54  PRO HHH CB   1 
ATOM   794  C CG   . PRO A 1 52  ? 11.115  7.402  17.203  1.000 31.144  ? 54  PRO HHH CG   1 
ATOM   795  C CD   . PRO A 1 52  ? 11.399  7.279  15.723  1.000 29.921  ? 54  PRO HHH CD   1 
ATOM   796  H HA   . PRO A 1 52  ? 14.039  7.187  17.362  1.000 32.614  ? 54  PRO HHH HA   1 
ATOM   797  H HB2  . PRO A 1 52  ? 11.804  5.619  17.988  1.000 32.134  ? 54  PRO HHH HB2  1 
ATOM   798  H HB3  . PRO A 1 52  ? 12.350  6.891  18.777  1.000 31.785  ? 54  PRO HHH HB3  1 
ATOM   799  H HG2  . PRO A 1 52  ? 10.208  7.096  17.405  1.000 30.796  ? 54  PRO HHH HG2  1 
ATOM   800  H HG3  . PRO A 1 52  ? 11.202  8.333  17.492  1.000 30.476  ? 54  PRO HHH HG3  1 
ATOM   801  H HD2  . PRO A 1 52  ? 11.017  6.463  15.350  1.000 30.620  ? 54  PRO HHH HD2  1 
ATOM   802  H HD3  . PRO A 1 52  ? 11.065  8.050  15.231  1.000 30.156  ? 54  PRO HHH HD3  1 
ATOM   803  N N    . HIS A 1 53  ? 13.731  4.616  15.533  1.000 37.206  ? 55  HIS HHH N    1 
ATOM   804  C CA   . HIS A 1 53  ? 14.238  3.244  15.239  1.000 41.448  ? 55  HIS HHH CA   1 
ATOM   805  C C    . HIS A 1 53  ? 15.734  3.308  14.933  1.000 40.829  ? 55  HIS HHH C    1 
ATOM   806  O O    . HIS A 1 53  ? 16.513  2.605  15.561  1.000 41.589  ? 55  HIS HHH O    1 
ATOM   807  C CB   . HIS A 1 53  ? 13.509  2.639  14.049  1.000 44.024  ? 55  HIS HHH CB   1 
ATOM   808  C CG   . HIS A 1 53  ? 13.921  1.240  13.758  1.000 50.955  ? 55  HIS HHH CG   1 
ATOM   809  N ND1  . HIS A 1 53  ? 13.237  0.156  14.268  1.000 56.081  ? 55  HIS HHH ND1  1 
ATOM   810  C CD2  . HIS A 1 53  ? 14.918  0.746  12.986  1.000 54.932  ? 55  HIS HHH CD2  1 
ATOM   811  C CE1  . HIS A 1 53  ? 13.820  -0.953 13.849  1.000 58.518  ? 55  HIS HHH CE1  1 
ATOM   812  N NE2  . HIS A 1 53  ? 14.843  -0.616 13.049  1.000 56.196  ? 55  HIS HHH NE2  1 
ATOM   813  H H    . HIS A 1 53  ? 13.260  4.979  14.845  1.000 37.442  ? 55  HIS HHH H    1 
ATOM   814  H HA   . HIS A 1 53  ? 14.099  2.677  16.033  1.000 41.087  ? 55  HIS HHH HA   1 
ATOM   815  H HB2  . HIS A 1 53  ? 12.544  2.658  14.222  1.000 44.688  ? 55  HIS HHH HB2  1 
ATOM   816  H HB3  . HIS A 1 53  ? 13.682  3.191  13.255  1.000 44.767  ? 55  HIS HHH HB3  1 
ATOM   817  H HD1  . HIS A 1 53  ? 12.507  0.192  14.765  0.000 30.000  ? 55  HIS HHH HD1  1 
ATOM   818  H HD2  . HIS A 1 53  ? 15.550  1.244  12.501  1.000 54.211  ? 55  HIS HHH HD2  1 
ATOM   819  H HE1  . HIS A 1 53  ? 13.546  -1.830 14.056  1.000 57.802  ? 55  HIS HHH HE1  1 
ATOM   820  H HE2  . HIS A 1 53  ? 15.401  -1.170 12.670  0.000 30.000  ? 55  HIS HHH HE2  1 
ATOM   821  N N    . ASN A 1 54  ? 16.384  4.703  14.401  1.000 37.301  ? 60  ASN HHH N    1 
ATOM   822  C CA   . ASN A 1 54  ? 17.847  4.754  14.161  1.000 38.295  ? 60  ASN HHH CA   1 
ATOM   823  C C    . ASN A 1 54  ? 18.399  6.079  14.681  1.000 37.103  ? 60  ASN HHH C    1 
ATOM   824  O O    . ASN A 1 54  ? 19.587  6.299  14.500  1.000 38.523  ? 60  ASN HHH O    1 
ATOM   825  C CB   . ASN A 1 54  ? 18.142  4.595  12.667  1.000 38.321  ? 60  ASN HHH CB   1 
ATOM   826  C CG   . ASN A 1 54  ? 17.373  5.568  11.806  1.000 38.016  ? 60  ASN HHH CG   1 
ATOM   827  O OD1  . ASN A 1 54  ? 16.794  6.559  12.285  1.000 36.277  ? 60  ASN HHH OD1  1 
ATOM   828  N ND2  . ASN A 1 54  ? 17.340  5.272  10.524  1.000 36.940  ? 60  ASN HHH ND2  1 
ATOM   829  H H    . ASN A 1 54  ? 16.029  4.012  13.933  1.000 37.647  ? 60  ASN HHH H    1 
ATOM   830  H HA   . ASN A 1 54  ? 18.282  4.013  14.644  1.000 38.215  ? 60  ASN HHH HA   1 
ATOM   831  H HB2  . ASN A 1 54  ? 19.101  4.724  12.517  1.000 38.877  ? 60  ASN HHH HB2  1 
ATOM   832  H HB3  . ASN A 1 54  ? 17.915  3.682  12.396  1.000 38.600  ? 60  ASN HHH HB3  1 
ATOM   833  H HD21 . ASN A 1 54  ? 16.949  5.804  9.967   0.000 30.000  ? 60  ASN HHH HD21 1 
ATOM   834  H HD22 . ASN A 1 54  ? 17.783  4.552  10.246  0.000 30.000  ? 60  ASN HHH HD22 1 
ATOM   835  N N    . GLY A 1 55  ? 17.558  6.960  15.237  1.000 36.239  ? 61  GLY HHH N    1 
ATOM   836  C CA   . GLY A 1 55  ? 18.025  8.213  15.862  1.000 34.839  ? 61  GLY HHH CA   1 
ATOM   837  C C    . GLY A 1 55  ? 18.220  9.323  14.848  1.000 34.719  ? 61  GLY HHH C    1 
ATOM   838  O O    . GLY A 1 55  ? 18.570  10.441 15.252  1.000 36.338  ? 61  GLY HHH O    1 
ATOM   839  H H    . GLY A 1 55  ? 16.658  6.843  15.265  1.000 35.583  ? 61  GLY HHH H    1 
ATOM   840  H HA2  . GLY A 1 55  ? 17.362  8.500  16.538  1.000 34.639  ? 61  GLY HHH HA2  1 
ATOM   841  H HA3  . GLY A 1 55  ? 18.882  8.041  16.328  1.000 35.542  ? 61  GLY HHH HA3  1 
ATOM   842  N N    . GLU A 1 56  ? 17.920  9.088  13.584  1.000 34.752  ? 62  GLU HHH N    1 
ATOM   843  C CA   . GLU A 1 56  ? 17.965  10.177 12.576  1.000 36.258  ? 62  GLU HHH CA   1 
ATOM   844  C C    . GLU A 1 56  ? 16.984  11.302 12.949  1.000 34.753  ? 62  GLU HHH C    1 
ATOM   845  O O    . GLU A 1 56  ? 15.844  11.012 13.375  1.000 31.077  ? 62  GLU HHH O    1 
ATOM   846  C CB   . GLU A 1 56  ? 17.687  9.590  11.192  1.000 37.744  ? 62  GLU HHH CB   1 
ATOM   847  C CG   . GLU A 1 56  ? 18.771  8.608  10.782  1.000 39.692  ? 62  GLU HHH CG   1 
ATOM   848  C CD   . GLU A 1 56  ? 20.049  9.287  10.297  1.000 42.089  ? 62  GLU HHH CD   1 
ATOM   849  O OE1  . GLU A 1 56  ? 19.957  10.210 9.459   1.000 45.850  ? 62  GLU HHH OE1  1 
ATOM   850  O OE2  . GLU A 1 56  ? 21.120  8.935  10.788  1.000 48.596  ? 62  GLU HHH OE2  1 
ATOM   851  H H    . GLU A 1 56  ? 17.646  8.281  13.268  1.000 35.055  ? 62  GLU HHH H    1 
ATOM   852  H HA   . GLU A 1 56  ? 18.876  10.551 12.577  1.000 36.634  ? 62  GLU HHH HA   1 
ATOM   853  H HB2  . GLU A 1 56  ? 16.821  9.131  11.207  1.000 37.326  ? 62  GLU HHH HB2  1 
ATOM   854  H HB3  . GLU A 1 56  ? 17.639  10.318 10.538  1.000 38.135  ? 62  GLU HHH HB3  1 
ATOM   855  H HG2  . GLU A 1 56  ? 18.992  8.030  11.542  1.000 39.477  ? 62  GLU HHH HG2  1 
ATOM   856  H HG3  . GLU A 1 56  ? 18.429  8.035  10.063  1.000 39.880  ? 62  GLU HHH HG3  1 
ATOM   857  N N    . THR A 1 57  ? 17.399  12.548 12.715  1.000 33.626  ? 63  THR HHH N    1 
ATOM   858  C CA   . THR A 1 57  ? 16.577  13.744 12.972  1.000 33.253  ? 63  THR HHH CA   1 
ATOM   859  C C    . THR A 1 57  ? 16.659  14.745 11.833  1.000 34.416  ? 63  THR HHH C    1 
ATOM   860  O O    . THR A 1 57  ? 17.547  14.645 10.998  1.000 34.239  ? 63  THR HHH O    1 
ATOM   861  C CB   . THR A 1 57  ? 17.008  14.460 14.244  1.000 33.355  ? 63  THR HHH CB   1 
ATOM   862  O OG1  . THR A 1 57  ? 18.358  14.800 13.954  1.000 32.224  ? 63  THR HHH OG1  1 
ATOM   863  C CG2  . THR A 1 57  ? 16.832  13.593 15.469  1.000 33.261  ? 63  THR HHH CG2  1 
ATOM   864  H H    . THR A 1 57  ? 18.222  12.751 12.381  1.000 34.692  ? 63  THR HHH H    1 
ATOM   865  H HA   . THR A 1 57  ? 15.642  13.458 13.072  1.000 32.770  ? 63  THR HHH HA   1 
ATOM   866  H HB   . THR A 1 57  ? 16.474  15.284 14.345  1.000 32.784  ? 63  THR HHH HB   1 
ATOM   867  H HG1  . THR A 1 57  ? 18.683  15.209 14.600  0.000 30.000  ? 63  THR HHH HG1  1 
ATOM   868  H HG21 . THR A 1 57  ? 15.935  13.213 15.473  1.000 32.549  ? 63  THR HHH HG21 1 
ATOM   869  H HG22 . THR A 1 57  ? 16.958  14.132 16.271  1.000 33.075  ? 63  THR HHH HG22 1 
ATOM   870  H HG23 . THR A 1 57  ? 17.488  12.874 15.456  1.000 33.421  ? 63  THR HHH HG23 1 
ATOM   871  N N    . ASP A 1 58  ? 15.668  15.611 11.791  1.000 35.674  ? 64  ASP HHH N    1 
ATOM   872  C CA   . ASP A 1 58  ? 15.595  16.809 10.928  1.000 35.980  ? 64  ASP HHH CA   1 
ATOM   873  C C    . ASP A 1 58  ? 15.035  17.937 11.795  1.000 34.902  ? 64  ASP HHH C    1 
ATOM   874  O O    . ASP A 1 58  ? 14.050  17.696 12.529  1.000 32.661  ? 64  ASP HHH O    1 
ATOM   875  C CB   . ASP A 1 58  ? 14.612  16.535 9.795   1.000 41.069  ? 64  ASP HHH CB   1 
ATOM   876  C CG   . ASP A 1 58  ? 15.166  16.723 8.402   1.000 47.566  ? 64  ASP HHH CG   1 
ATOM   877  O OD1  . ASP A 1 58  ? 15.108  15.746 7.635   1.000 53.618  ? 64  ASP HHH OD1  1 
ATOM   878  O OD2  . ASP A 1 58  ? 15.651  17.838 8.106   1.000 52.194  ? 64  ASP HHH OD2  1 
ATOM   879  H H    . ASP A 1 58  ? 14.929  15.513 12.316  1.000 34.467  ? 64  ASP HHH H    1 
ATOM   880  H HA   . ASP A 1 58  ? 16.488  17.041 10.581  1.000 37.711  ? 64  ASP HHH HA   1 
ATOM   881  H HB2  . ASP A 1 58  ? 14.303  15.614 9.876   1.000 40.428  ? 64  ASP HHH HB2  1 
ATOM   882  H HB3  . ASP A 1 58  ? 13.835  17.124 9.894   1.000 40.626  ? 64  ASP HHH HB3  1 
ATOM   883  N N    . TYR A 1 59  ? 15.577  19.135 11.669  1.000 35.792  ? 65  TYR HHH N    1 
ATOM   884  C CA   . TYR A 1 59  ? 15.235  20.288 12.525  1.000 36.062  ? 65  TYR HHH CA   1 
ATOM   885  C C    . TYR A 1 59  ? 14.915  21.425 11.584  1.000 36.585  ? 65  TYR HHH C    1 
ATOM   886  O O    . TYR A 1 59  ? 15.524  21.459 10.547  1.000 35.993  ? 65  TYR HHH O    1 
ATOM   887  C CB   . TYR A 1 59  ? 16.401  20.703 13.412  1.000 36.343  ? 65  TYR HHH CB   1 
ATOM   888  C CG   . TYR A 1 59  ? 16.892  19.636 14.352  1.000 36.727  ? 65  TYR HHH CG   1 
ATOM   889  C CD1  . TYR A 1 59  ? 16.089  19.238 15.388  1.000 36.416  ? 65  TYR HHH CD1  1 
ATOM   890  C CD2  . TYR A 1 59  ? 18.173  19.098 14.284  1.000 39.035  ? 65  TYR HHH CD2  1 
ATOM   891  C CE1  . TYR A 1 59  ? 16.500  18.269 16.280  1.000 39.594  ? 65  TYR HHH CE1  1 
ATOM   892  C CE2  . TYR A 1 59  ? 18.617  18.130 15.184  1.000 39.480  ? 65  TYR HHH CE2  1 
ATOM   893  C CZ   . TYR A 1 59  ? 17.764  17.726 16.200  1.000 38.279  ? 65  TYR HHH CZ   1 
ATOM   894  O OH   . TYR A 1 59  ? 18.051  16.822 17.164  1.000 33.932  ? 65  TYR HHH OH   1 
ATOM   895  H H    . TYR A 1 59  ? 16.209  19.337 11.044  1.000 36.811  ? 65  TYR HHH H    1 
ATOM   896  H HA   . TYR A 1 59  ? 14.443  20.078 13.081  1.000 34.934  ? 65  TYR HHH HA   1 
ATOM   897  H HB2  . TYR A 1 59  ? 17.144  20.981 12.836  1.000 37.643  ? 65  TYR HHH HB2  1 
ATOM   898  H HB3  . TYR A 1 59  ? 16.126  21.483 13.938  1.000 36.529  ? 65  TYR HHH HB3  1 
ATOM   899  H HD1  . TYR A 1 59  ? 15.220  19.593 15.461  1.000 36.483  ? 65  TYR HHH HD1  1 
ATOM   900  H HD2  . TYR A 1 59  ? 18.749  19.374 13.590  1.000 39.761  ? 65  TYR HHH HD2  1 
ATOM   901  H HE1  . TYR A 1 59  ? 15.924  18.005 16.978  1.000 37.403  ? 65  TYR HHH HE1  1 
ATOM   902  H HE2  . TYR A 1 59  ? 19.484  17.766 15.113  1.000 39.785  ? 65  TYR HHH HE2  1 
ATOM   903  H HH   . TYR A 1 59  ? 17.488  16.180 17.125  0.000 30.000  ? 65  TYR HHH HH   1 
ATOM   904  N N    . ALA A 1 60  ? 13.963  22.258 11.947  1.000 34.074  ? 66  ALA HHH N    1 
ATOM   905  C CA   . ALA A 1 60  ? 13.752  23.585 11.325  1.000 37.888  ? 66  ALA HHH CA   1 
ATOM   906  C C    . ALA A 1 60  ? 15.047  24.406 11.363  1.000 38.569  ? 66  ALA HHH C    1 
ATOM   907  O O    . ALA A 1 60  ? 15.567  24.635 12.450  1.000 35.846  ? 66  ALA HHH O    1 
ATOM   908  C CB   . ALA A 1 60  ? 12.630  24.266 12.066  1.000 36.751  ? 66  ALA HHH CB   1 
ATOM   909  H H    . ALA A 1 60  ? 13.360  22.077 12.606  1.000 34.337  ? 66  ALA HHH H    1 
ATOM   910  H HA   . ALA A 1 60  ? 13.484  23.453 10.389  1.000 37.637  ? 66  ALA HHH HA   1 
ATOM   911  H HB1  . ALA A 1 60  ? 12.516  25.169 11.725  1.000 37.568  ? 66  ALA HHH HB1  1 
ATOM   912  H HB2  . ALA A 1 60  ? 11.806  23.766 11.939  1.000 36.215  ? 66  ALA HHH HB2  1 
ATOM   913  H HB3  . ALA A 1 60  ? 12.841  24.303 13.013  1.000 36.424  ? 66  ALA HHH HB3  1 
ATOM   914  N N    . PRO A 1 61  ? 15.632  24.832 10.214  1.000 41.594  ? 67  PRO HHH N    1 
ATOM   915  C CA   . PRO A 1 61  ? 16.885  25.606 10.207  1.000 44.183  ? 67  PRO HHH CA   1 
ATOM   916  C C    . PRO A 1 61  ? 16.867  26.852 11.113  1.000 45.010  ? 67  PRO HHH C    1 
ATOM   917  O O    . PRO A 1 61  ? 17.859  27.139 11.685  1.000 43.965  ? 67  PRO HHH O    1 
ATOM   918  C CB   . PRO A 1 61  ? 17.081  26.060 8.752   1.000 45.063  ? 67  PRO HHH CB   1 
ATOM   919  C CG   . PRO A 1 61  ? 16.245  25.084 7.946   1.000 45.792  ? 67  PRO HHH CG   1 
ATOM   920  C CD   . PRO A 1 61  ? 15.120  24.607 8.854   1.000 42.986  ? 67  PRO HHH CD   1 
ATOM   921  H HA   . PRO A 1 61  ? 17.634  25.013 10.467  1.000 43.973  ? 67  PRO HHH HA   1 
ATOM   922  H HB2  . PRO A 1 61  ? 16.765  26.980 8.622   1.000 46.226  ? 67  PRO HHH HB2  1 
ATOM   923  H HB3  . PRO A 1 61  ? 18.026  26.008 8.492   1.000 46.677  ? 67  PRO HHH HB3  1 
ATOM   924  H HG2  . PRO A 1 61  ? 15.878  25.523 7.152   1.000 46.133  ? 67  PRO HHH HG2  1 
ATOM   925  H HG3  . PRO A 1 61  ? 16.791  24.326 7.655   1.000 45.432  ? 67  PRO HHH HG3  1 
ATOM   926  H HD2  . PRO A 1 61  ? 14.305  25.119 8.700   1.000 42.919  ? 67  PRO HHH HD2  1 
ATOM   927  H HD3  . PRO A 1 61  ? 14.931  23.662 8.706   1.000 42.336  ? 67  PRO HHH HD3  1 
ATOM   928  N N    . LYS A 1 62  ? 15.743  27.543 11.265  1.000 46.727  ? 68  LYS HHH N    1 
ATOM   929  C CA   . LYS A 1 62  ? 15.654  28.676 12.225  1.000 51.653  ? 68  LYS HHH CA   1 
ATOM   930  C C    . LYS A 1 62  ? 15.746  28.150 13.660  1.000 52.362  ? 68  LYS HHH C    1 
ATOM   931  O O    . LYS A 1 62  ? 16.134  28.985 14.479  1.000 52.381  ? 68  LYS HHH O    1 
ATOM   932  C CB   . LYS A 1 62  ? 14.366  29.472 12.033  1.000 53.259  ? 68  LYS HHH CB   1 
ATOM   933  C CG   . LYS A 1 62  ? 14.399  30.374 10.805  1.000 60.629  ? 68  LYS HHH CG   1 
ATOM   934  C CD   . LYS A 1 62  ? 13.073  31.028 10.521  1.000 63.109  ? 68  LYS HHH CD   1 
ATOM   935  C CE   . LYS A 1 62  ? 12.974  31.571 9.113   1.000 67.557  ? 68  LYS HHH CE   1 
ATOM   936  N NZ   . LYS A 1 62  ? 11.566  31.899 8.787   1.000 69.735  ? 68  LYS HHH NZ   1 
ATOM   937  H H    . LYS A 1 62  ? 14.980  27.372 10.798  1.000 46.863  ? 68  LYS HHH H    1 
ATOM   938  H HA   . LYS A 1 62  ? 16.418  29.276 12.063  1.000 52.717  ? 68  LYS HHH HA   1 
ATOM   939  H HB2  . LYS A 1 62  ? 13.617  28.846 11.949  1.000 52.980  ? 68  LYS HHH HB2  1 
ATOM   940  H HB3  . LYS A 1 62  ? 14.214  30.024 12.828  1.000 53.774  ? 68  LYS HHH HB3  1 
ATOM   941  H HG2  . LYS A 1 62  ? 15.077  31.070 10.941  1.000 60.989  ? 68  LYS HHH HG2  1 
ATOM   942  H HG3  . LYS A 1 62  ? 14.668  29.840 10.027  1.000 60.329  ? 68  LYS HHH HG3  1 
ATOM   943  H HD2  . LYS A 1 62  ? 12.356  30.372 10.659  1.000 61.791  ? 68  LYS HHH HD2  1 
ATOM   944  H HD3  . LYS A 1 62  ? 12.936  31.763 11.156  1.000 63.051  ? 68  LYS HHH HD3  1 
ATOM   945  H HE2  . LYS A 1 62  ? 13.520  32.376 9.030   1.000 68.816  ? 68  LYS HHH HE2  1 
ATOM   946  H HE3  . LYS A 1 62  ? 13.305  30.908 8.477   1.000 67.779  ? 68  LYS HHH HE3  1 
ATOM   947  H HZ1  . LYS A 1 62  ? 11.065  31.144 8.793   1.000 67.886  ? 68  LYS HHH HZ1  1 
ATOM   948  H HZ2  . LYS A 1 62  ? 11.522  32.279 7.965   1.000 70.168  ? 68  LYS HHH HZ2  1 
ATOM   949  H HZ3  . LYS A 1 62  ? 11.236  32.480 9.401   1.000 68.597  ? 68  LYS HHH HZ3  1 
ATOM   950  N N    . LEU A 1 63  ? 14.902  24.852 15.201  1.000 70.752  ? 69  LEU HHH N    1 
ATOM   951  C CA   . LEU A 1 63  ? 15.395  26.249 15.249  1.000 68.485  ? 69  LEU HHH CA   1 
ATOM   952  C C    . LEU A 1 63  ? 16.902  26.168 15.423  1.000 73.207  ? 69  LEU HHH C    1 
ATOM   953  O O    . LEU A 1 63  ? 17.482  26.821 16.322  1.000 71.478  ? 69  LEU HHH O    1 
ATOM   954  C CB   . LEU A 1 63  ? 14.658  26.913 16.399  1.000 71.265  ? 69  LEU HHH CB   1 
ATOM   955  C CG   . LEU A 1 63  ? 13.152  26.757 16.262  1.000 62.183  ? 69  LEU HHH CG   1 
ATOM   956  C CD1  . LEU A 1 63  ? 12.687  25.325 16.481  1.000 61.634  ? 69  LEU HHH CD1  1 
ATOM   957  C CD2  . LEU A 1 63  ? 12.477  27.685 17.220  1.000 66.508  ? 69  LEU HHH CD2  1 
ATOM   958  H H    . LEU A 1 63  ? 14.106  24.815 14.774  1.000 68.966  ? 69  LEU HHH H    1 
ATOM   959  H HA   . LEU A 1 63  ? 15.177  26.684 14.403  1.000 70.861  ? 69  LEU HHH HA   1 
ATOM   960  H HB2  . LEU A 1 63  ? 14.949  26.512 17.242  1.000 68.059  ? 69  LEU HHH HB2  1 
ATOM   961  H HB3  . LEU A 1 63  ? 14.884  27.864 16.419  1.000 68.866  ? 69  LEU HHH HB3  1 
ATOM   962  H HG   . LEU A 1 63  ? 12.898  27.025 15.344  1.000 65.039  ? 69  LEU HHH HG   1 
ATOM   963  H HD11 . LEU A 1 63  ? 12.584  24.875 15.626  1.000 61.514  ? 69  LEU HHH HD11 1 
ATOM   964  H HD12 . LEU A 1 63  ? 11.827  25.336 16.936  1.000 60.579  ? 69  LEU HHH HD12 1 
ATOM   965  H HD13 . LEU A 1 63  ? 13.330  24.848 17.032  1.000 61.438  ? 69  LEU HHH HD13 1 
ATOM   966  H HD21 . LEU A 1 63  ? 12.734  27.458 18.130  1.000 64.699  ? 69  LEU HHH HD21 1 
ATOM   967  H HD22 . LEU A 1 63  ? 11.516  27.596 17.122  1.000 64.087  ? 69  LEU HHH HD22 1 
ATOM   968  H HD23 . LEU A 1 63  ? 12.740  28.602 17.026  1.000 65.852  ? 69  LEU HHH HD23 1 
ATOM   969  N N    . GLN A 1 64  ? 17.450  25.355 14.523  1.000 74.471  ? 70  GLN HHH N    1 
ATOM   970  C CA   . GLN A 1 64  ? 18.645  24.491 14.665  1.000 69.738  ? 70  GLN HHH CA   1 
ATOM   971  C C    . GLN A 1 64  ? 19.748  25.368 15.244  1.000 66.128  ? 70  GLN HHH C    1 
ATOM   972  O O    . GLN A 1 64  ? 19.722  26.585 14.979  1.000 68.976  ? 70  GLN HHH O    1 
ATOM   973  C CB   . GLN A 1 64  ? 18.880  23.837 13.298  1.000 69.993  ? 70  GLN HHH CB   1 
ATOM   974  C CG   . GLN A 1 64  ? 20.328  23.536 12.939  1.000 74.821  ? 70  GLN HHH CG   1 
ATOM   975  C CD   . GLN A 1 64  ? 20.330  22.568 11.783  1.000 75.470  ? 70  GLN HHH CD   1 
ATOM   976  O OE1  . GLN A 1 64  ? 20.394  22.973 10.623  1.000 78.644  ? 70  GLN HHH OE1  1 
ATOM   977  N NE2  . GLN A 1 64  ? 20.161  21.290 12.091  1.000 66.882  ? 70  GLN HHH NE2  1 
ATOM   978  H H    . GLN A 1 64  ? 17.091  25.293 13.688  1.000 73.041  ? 70  GLN HHH H    1 
ATOM   979  H HA   . GLN A 1 64  ? 18.435  23.784 15.318  1.000 68.621  ? 70  GLN HHH HA   1 
ATOM   980  H HB2  . GLN A 1 64  ? 18.371  23.000 13.273  1.000 69.781  ? 70  GLN HHH HB2  1 
ATOM   981  H HB3  . GLN A 1 64  ? 18.509  24.425 12.608  1.000 71.207  ? 70  GLN HHH HB3  1 
ATOM   982  H HG2  . GLN A 1 64  ? 20.791  24.363 12.684  1.000 75.393  ? 70  GLN HHH HG2  1 
ATOM   983  H HG3  . GLN A 1 64  ? 20.791  23.140 13.708  1.000 73.911  ? 70  GLN HHH HG3  1 
ATOM   984  H HE21 . GLN A 1 64  ? 20.149  20.628 11.494  0.000 30.000  ? 70  GLN HHH HE21 1 
ATOM   985  H HE22 . GLN A 1 64  ? 20.121  20.984 12.982  0.000 30.000  ? 70  GLN HHH HE22 1 
ATOM   986  N N    . ASP A 1 65  ? 20.622  24.750 16.024  1.000 62.100  ? 71  ASP HHH N    1 
ATOM   987  C CA   . ASP A 1 65  ? 21.553  25.352 17.011  1.000 61.906  ? 71  ASP HHH CA   1 
ATOM   988  C C    . ASP A 1 65  ? 20.896  25.227 18.395  1.000 55.473  ? 71  ASP HHH C    1 
ATOM   989  O O    . ASP A 1 65  ? 21.536  24.673 19.264  1.000 59.698  ? 71  ASP HHH O    1 
ATOM   990  C CB   . ASP A 1 65  ? 22.072  26.729 16.582  1.000 74.348  ? 71  ASP HHH CB   1 
ATOM   991  C CG   . ASP A 1 65  ? 21.121  27.912 16.710  1.000 80.398  ? 71  ASP HHH CG   1 
ATOM   992  O OD1  . ASP A 1 65  ? 21.047  28.483 17.823  1.000 89.823  ? 71  ASP HHH OD1  1 
ATOM   993  O OD2  . ASP A 1 65  ? 20.505  28.299 15.678  1.000 84.114  ? 71  ASP HHH OD2  1 
ATOM   994  H H    . ASP A 1 65  ? 20.709  23.843 15.994  1.000 62.258  ? 71  ASP HHH H    1 
ATOM   995  H HA   . ASP A 1 65  ? 22.348  24.769 17.027  1.000 63.462  ? 71  ASP HHH HA   1 
ATOM   996  H HB2  . ASP A 1 65  ? 22.868  26.934 17.115  1.000 73.969  ? 71  ASP HHH HB2  1 
ATOM   997  H HB3  . ASP A 1 65  ? 22.348  26.673 15.645  1.000 73.672  ? 71  ASP HHH HB3  1 
ATOM   998  N N    . ARG A 1 66  ? 19.620  25.548 18.580  1.000 47.231  ? 72  ARG HHH N    1 
ATOM   999  C CA   . ARG A 1 66  ? 19.028  25.585 19.945  1.000 43.085  ? 72  ARG HHH CA   1 
ATOM   1000 C C    . ARG A 1 66  ? 18.230  24.323 20.264  1.000 40.423  ? 72  ARG HHH C    1 
ATOM   1001 O O    . ARG A 1 66  ? 17.928  24.132 21.453  1.000 38.203  ? 72  ARG HHH O    1 
ATOM   1002 C CB   . ARG A 1 66  ? 18.087  26.775 20.107  1.000 41.195  ? 72  ARG HHH CB   1 
ATOM   1003 C CG   . ARG A 1 66  ? 18.764  28.097 19.813  1.000 43.094  ? 72  ARG HHH CG   1 
ATOM   1004 C CD   . ARG A 1 66  ? 17.997  29.237 20.409  1.000 41.372  ? 72  ARG HHH CD   1 
ATOM   1005 N NE   . ARG A 1 66  ? 16.732  29.461 19.750  1.000 39.450  ? 72  ARG HHH NE   1 
ATOM   1006 C CZ   . ARG A 1 66  ? 15.539  29.448 20.325  1.000 40.138  ? 72  ARG HHH CZ   1 
ATOM   1007 N NH1  . ARG A 1 66  ? 15.378  29.148 21.606  1.000 41.565  ? 72  ARG HHH NH1  1 
ATOM   1008 N NH2  . ARG A 1 66  ? 14.481  29.753 19.610  1.000 40.282  ? 72  ARG HHH NH2  1 
ATOM   1009 H H    . ARG A 1 66  ? 19.049  25.768 17.906  1.000 47.642  ? 72  ARG HHH H    1 
ATOM   1010 H HA   . ARG A 1 66  ? 19.758  25.670 20.601  1.000 44.002  ? 72  ARG HHH HA   1 
ATOM   1011 H HB2  . ARG A 1 66  ? 17.326  26.663 19.499  1.000 40.857  ? 72  ARG HHH HB2  1 
ATOM   1012 H HB3  . ARG A 1 66  ? 17.745  26.785 21.025  1.000 41.168  ? 72  ARG HHH HB3  1 
ATOM   1013 H HG2  . ARG A 1 66  ? 19.674  28.091 20.181  1.000 43.655  ? 72  ARG HHH HG2  1 
ATOM   1014 H HG3  . ARG A 1 66  ? 18.825  28.224 18.843  1.000 43.082  ? 72  ARG HHH HG3  1 
ATOM   1015 H HD2  . ARG A 1 66  ? 17.846  29.060 21.358  1.000 41.154  ? 72  ARG HHH HD2  1 
ATOM   1016 H HD3  . ARG A 1 66  ? 18.538  30.053 20.342  1.000 42.836  ? 72  ARG HHH HD3  1 
ATOM   1017 H HE   . ARG A 1 66  ? 16.762  29.703 18.912  1.000 40.668  ? 72  ARG HHH HE   1 
ATOM   1018 H HH11 . ARG A 1 66  ? 16.071  28.959 22.108  1.000 41.307  ? 72  ARG HHH HH11 1 
ATOM   1019 H HH12 . ARG A 1 66  ? 14.572  29.138 21.954  1.000 40.025  ? 72  ARG HHH HH12 1 
ATOM   1020 H HH21 . ARG A 1 66  ? 14.568  29.949 18.755  1.000 40.458  ? 72  ARG HHH HH21 1 
ATOM   1021 H HH22 . ARG A 1 66  ? 13.680  29.723 19.975  1.000 39.201  ? 72  ARG HHH HH22 1 
ATOM   1022 N N    . VAL A 1 67  ? 17.837  23.544 19.263  1.000 36.518  ? 73  VAL HHH N    1 
ATOM   1023 C CA   . VAL A 1 67  ? 16.905  22.420 19.481  1.000 35.966  ? 73  VAL HHH CA   1 
ATOM   1024 C C    . VAL A 1 67  ? 17.634  21.075 19.371  1.000 35.375  ? 73  VAL HHH C    1 
ATOM   1025 O O    . VAL A 1 67  ? 18.474  20.928 18.512  1.000 34.256  ? 73  VAL HHH O    1 
ATOM   1026 C CB   . VAL A 1 67  ? 15.705  22.498 18.529  1.000 35.104  ? 73  VAL HHH CB   1 
ATOM   1027 C CG1  . VAL A 1 67  ? 16.103  22.329 17.078  1.000 38.147  ? 73  VAL HHH CG1  1 
ATOM   1028 C CG2  . VAL A 1 67  ? 14.682  21.468 18.946  1.000 34.836  ? 73  VAL HHH CG2  1 
ATOM   1029 H H    . VAL A 1 67  ? 18.120  23.641 18.405  1.000 37.954  ? 73  VAL HHH H    1 
ATOM   1030 H HA   . VAL A 1 67  ? 16.564  22.495 20.387  1.000 35.353  ? 73  VAL HHH HA   1 
ATOM   1031 H HB   . VAL A 1 67  ? 15.297  23.393 18.633  1.000 35.841  ? 73  VAL HHH HB   1 
ATOM   1032 H HG11 . VAL A 1 67  ? 16.676  23.068 16.809  1.000 38.292  ? 73  VAL HHH HG11 1 
ATOM   1033 H HG12 . VAL A 1 67  ? 15.304  22.323 16.523  1.000 36.978  ? 73  VAL HHH HG12 1 
ATOM   1034 H HG13 . VAL A 1 67  ? 16.580  21.491 16.964  1.000 37.376  ? 73  VAL HHH HG13 1 
ATOM   1035 H HG21 . VAL A 1 67  ? 14.956  20.589 18.630  1.000 34.446  ? 73  VAL HHH HG21 1 
ATOM   1036 H HG22 . VAL A 1 67  ? 13.818  21.694 18.559  1.000 34.101  ? 73  VAL HHH HG22 1 
ATOM   1037 H HG23 . VAL A 1 67  ? 14.607  21.454 19.916  1.000 34.364  ? 73  VAL HHH HG23 1 
ATOM   1038 N N    . THR A 1 68  ? 17.285  20.120 20.226  1.000 34.283  ? 74  THR HHH N    1 
ATOM   1039 C CA   . THR A 1 68  ? 17.737  18.713 20.169  1.000 35.079  ? 74  THR HHH CA   1 
ATOM   1040 C C    . THR A 1 68  ? 16.533  17.816 20.443  1.000 36.187  ? 74  THR HHH C    1 
ATOM   1041 O O    . THR A 1 68  ? 15.813  17.990 21.475  1.000 34.830  ? 74  THR HHH O    1 
ATOM   1042 C CB   . THR A 1 68  ? 18.803  18.385 21.220  1.000 39.070  ? 74  THR HHH CB   1 
ATOM   1043 O OG1  . THR A 1 68  ? 19.850  19.352 21.129  1.000 43.376  ? 74  THR HHH OG1  1 
ATOM   1044 C CG2  . THR A 1 68  ? 19.394  17.011 21.025  1.000 40.485  ? 74  THR HHH CG2  1 
ATOM   1045 H H    . THR A 1 68  ? 16.729  20.273 20.932  1.000 34.199  ? 74  THR HHH H    1 
ATOM   1046 H HA   . THR A 1 68  ? 18.092  18.524 19.269  1.000 36.140  ? 74  THR HHH HA   1 
ATOM   1047 H HB   . THR A 1 68  ? 18.391  18.436 22.115  1.000 38.999  ? 74  THR HHH HB   1 
ATOM   1048 H HG1  . THR A 1 68  ? 20.432  19.179 21.700  0.000 30.000  ? 74  THR HHH HG1  1 
ATOM   1049 H HG21 . THR A 1 68  ? 18.779  16.339 21.369  1.000 39.435  ? 74  THR HHH HG21 1 
ATOM   1050 H HG22 . THR A 1 68  ? 20.240  16.950 21.503  1.000 40.897  ? 74  THR HHH HG22 1 
ATOM   1051 H HG23 . THR A 1 68  ? 19.548  16.854 20.076  1.000 40.084  ? 74  THR HHH HG23 1 
ATOM   1052 N N    . VAL A 1 69  ? 16.334  16.850 19.581  1.000 33.540  ? 75  VAL HHH N    1 
ATOM   1053 C CA   . VAL A 1 69  ? 15.330  15.802 19.811  1.000 33.968  ? 75  VAL HHH CA   1 
ATOM   1054 C C    . VAL A 1 69  ? 16.052  14.468 19.987  1.000 32.298  ? 75  VAL HHH C    1 
ATOM   1055 O O    . VAL A 1 69  ? 16.984  14.152 19.211  1.000 31.826  ? 75  VAL HHH O    1 
ATOM   1056 C CB   . VAL A 1 69  ? 14.314  15.786 18.663  1.000 36.115  ? 75  VAL HHH CB   1 
ATOM   1057 C CG1  . VAL A 1 69  ? 13.417  14.560 18.800  1.000 40.935  ? 75  VAL HHH CG1  1 
ATOM   1058 C CG2  . VAL A 1 69  ? 13.515  17.086 18.646  1.000 35.602  ? 75  VAL HHH CG2  1 
ATOM   1059 H H    . VAL A 1 69  ? 16.796  16.764 18.800  1.000 34.691  ? 75  VAL HHH H    1 
ATOM   1060 H HA   . VAL A 1 69  ? 14.857  16.007 20.634  1.000 33.597  ? 75  VAL HHH HA   1 
ATOM   1061 H HB   . VAL A 1 69  ? 14.814  15.715 17.813  1.000 36.817  ? 75  VAL HHH HB   1 
ATOM   1062 H HG11 . VAL A 1 69  ? 13.895  13.770 18.496  1.000 39.270  ? 75  VAL HHH HG11 1 
ATOM   1063 H HG12 . VAL A 1 69  ? 12.618  14.681 18.258  1.000 38.853  ? 75  VAL HHH HG12 1 
ATOM   1064 H HG13 . VAL A 1 69  ? 13.161  14.445 19.731  1.000 38.990  ? 75  VAL HHH HG13 1 
ATOM   1065 H HG21 . VAL A 1 69  ? 13.100  17.223 19.515  1.000 35.437  ? 75  VAL HHH HG21 1 
ATOM   1066 H HG22 . VAL A 1 69  ? 12.824  17.033 17.962  1.000 35.439  ? 75  VAL HHH HG22 1 
ATOM   1067 H HG23 . VAL A 1 69  ? 14.108  17.831 18.449  1.000 36.152  ? 75  VAL HHH HG23 1 
ATOM   1068 N N    . THR A 1 70  ? 15.594  13.712 20.969  1.000 31.483  ? 76  THR HHH N    1 
ATOM   1069 C CA   . THR A 1 70  ? 16.092  12.362 21.303  1.000 34.360  ? 76  THR HHH CA   1 
ATOM   1070 C C    . THR A 1 70  ? 14.912  11.470 21.634  1.000 32.476  ? 76  THR HHH C    1 
ATOM   1071 O O    . THR A 1 70  ? 13.781  11.969 21.800  1.000 29.840  ? 76  THR HHH O    1 
ATOM   1072 C CB   . THR A 1 70  ? 17.098  12.368 22.466  1.000 36.477  ? 76  THR HHH CB   1 
ATOM   1073 O OG1  . THR A 1 70  ? 16.443  12.942 23.591  1.000 35.186  ? 76  THR HHH OG1  1 
ATOM   1074 C CG2  . THR A 1 70  ? 18.349  13.155 22.139  1.000 38.048  ? 76  THR HHH CG2  1 
ATOM   1075 H H    . THR A 1 70  ? 14.924  13.980 21.525  1.000 31.929  ? 76  THR HHH H    1 
ATOM   1076 H HA   . THR A 1 70  ? 16.541  11.998 20.506  1.000 33.961  ? 76  THR HHH HA   1 
ATOM   1077 H HB   . THR A 1 70  ? 17.347  11.436 22.675  1.000 36.416  ? 76  THR HHH HB   1 
ATOM   1078 H HG1  . THR A 1 70  ? 16.975  12.957 24.249  0.000 30.000  ? 76  THR HHH HG1  1 
ATOM   1079 H HG21 . THR A 1 70  ? 18.732  12.827 21.306  1.000 37.877  ? 76  THR HHH HG21 1 
ATOM   1080 H HG22 . THR A 1 70  ? 18.998  13.049 22.858  1.000 38.480  ? 76  THR HHH HG22 1 
ATOM   1081 H HG23 . THR A 1 70  ? 18.125  14.098 22.043  1.000 37.658  ? 76  THR HHH HG23 1 
ATOM   1082 N N    . CYS A 1 71  ? 15.201  10.185 21.729  1.000 34.243  ? 77  CYS HHH N    1 
ATOM   1083 C CA   . CYS A 1 71  ? 14.198  9.178  22.076  1.000 36.530  ? 77  CYS HHH CA   1 
ATOM   1084 C C    . CYS A 1 71  ? 14.895  8.102  22.878  1.000 38.274  ? 77  CYS HHH C    1 
ATOM   1085 O O    . CYS A 1 71  ? 16.008  7.695  22.532  1.000 38.741  ? 77  CYS HHH O    1 
ATOM   1086 C CB   . CYS A 1 71  ? 13.505  8.595  20.852  1.000 39.594  ? 77  CYS HHH CB   1 
ATOM   1087 S SG   . CYS A 1 71  ? 11.958  7.752  21.299  1.000 45.192  ? 77  CYS HHH SG   1 
ATOM   1088 H H    . CYS A 1 71  ? 16.028  9.831  21.578  1.000 34.869  ? 77  CYS HHH H    1 
ATOM   1089 H HA   . CYS A 1 71  ? 13.520  9.605  22.645  1.000 36.627  ? 77  CYS HHH HA   1 
ATOM   1090 H HB2  . CYS A 1 71  ? 13.302  9.313  20.219  1.000 39.597  ? 77  CYS HHH HB2  1 
ATOM   1091 H HB3  . CYS A 1 71  ? 14.100  7.957  20.411  1.000 40.249  ? 77  CYS HHH HB3  1 
ATOM   1092 H HG   . CYS A 1 71  ? 11.648  7.416  20.190  0.000 30.000  ? 77  CYS HHH HG   1 
ATOM   1093 N N    . ASP A 1 72  ? 14.256  7.723  23.967  1.000 37.108  ? 78  ASP HHH N    1 
ATOM   1094 C CA   . ASP A 1 72  ? 14.714  6.629  24.842  1.000 35.468  ? 78  ASP HHH CA   1 
ATOM   1095 C C    . ASP A 1 72  ? 13.812  5.419  24.566  1.000 35.544  ? 78  ASP HHH C    1 
ATOM   1096 O O    . ASP A 1 72  ? 12.644  5.411  25.014  1.000 31.136  ? 78  ASP HHH O    1 
ATOM   1097 C CB   . ASP A 1 72  ? 14.664  7.055  26.303  1.000 35.278  ? 78  ASP HHH CB   1 
ATOM   1098 C CG   . ASP A 1 72  ? 15.175  5.940  27.175  1.000 36.922  ? 78  ASP HHH CG   1 
ATOM   1099 O OD1  . ASP A 1 72  ? 16.344  5.575  26.999  1.000 39.015  ? 78  ASP HHH OD1  1 
ATOM   1100 O OD2  . ASP A 1 72  ? 14.395  5.426  27.991  1.000 37.702  ? 78  ASP HHH OD2  1 
ATOM   1101 H H    . ASP A 1 72  ? 13.485  8.118  24.248  1.000 36.533  ? 78  ASP HHH H    1 
ATOM   1102 H HA   . ASP A 1 72  ? 15.643  6.400  24.609  1.000 36.134  ? 78  ASP HHH HA   1 
ATOM   1103 H HB2  . ASP A 1 72  ? 15.222  7.849  26.437  1.000 35.572  ? 78  ASP HHH HB2  1 
ATOM   1104 H HB3  . ASP A 1 72  ? 13.744  7.271  26.558  1.000 35.306  ? 78  ASP HHH HB3  1 
ATOM   1105 N N    . THR A 1 73  ? 14.356  4.416  23.890  1.000 33.928  ? 79  THR HHH N    1 
ATOM   1106 C CA   . THR A 1 73  ? 13.637  3.168  23.592  1.000 34.178  ? 79  THR HHH CA   1 
ATOM   1107 C C    . THR A 1 73  ? 13.106  2.533  24.879  1.000 34.673  ? 79  THR HHH C    1 
ATOM   1108 O O    . THR A 1 73  ? 11.897  2.220  24.920  1.000 33.686  ? 79  THR HHH O    1 
ATOM   1109 C CB   . THR A 1 73  ? 14.543  2.196  22.843  1.000 37.150  ? 79  THR HHH CB   1 
ATOM   1110 O OG1  . THR A 1 73  ? 14.863  2.929  21.662  1.000 34.694  ? 79  THR HHH OG1  1 
ATOM   1111 C CG2  . THR A 1 73  ? 13.833  0.890  22.542  1.000 38.380  ? 79  THR HHH CG2  1 
ATOM   1112 H H    . THR A 1 73  ? 15.206  4.426  23.561  1.000 34.445  ? 79  THR HHH H    1 
ATOM   1113 H HA   . THR A 1 73  ? 12.871  3.390  23.014  1.000 34.049  ? 79  THR HHH HA   1 
ATOM   1114 H HB   . THR A 1 73  ? 15.358  2.028  23.373  1.000 37.001  ? 79  THR HHH HB   1 
ATOM   1115 H HG1  . THR A 1 73  ? 15.383  2.471  21.186  0.000 30.000  ? 79  THR HHH HG1  1 
ATOM   1116 H HG21 . THR A 1 73  ? 13.919  0.289  23.304  1.000 38.930  ? 79  THR HHH HG21 1 
ATOM   1117 H HG22 . THR A 1 73  ? 14.235  0.475  21.757  1.000 38.144  ? 79  THR HHH HG22 1 
ATOM   1118 H HG23 . THR A 1 73  ? 12.890  1.062  22.370  1.000 37.850  ? 79  THR HHH HG23 1 
ATOM   1119 N N    . SER A 1 74  ? 13.968  2.346  25.871  1.000 32.526  ? 80  SER HHH N    1 
ATOM   1120 C CA   . SER A 1 74  ? 13.638  1.583  27.088  1.000 35.163  ? 80  SER HHH CA   1 
ATOM   1121 C C    . SER A 1 74  ? 12.382  2.157  27.770  1.000 34.488  ? 80  SER HHH C    1 
ATOM   1122 O O    . SER A 1 74  ? 11.582  1.355  28.221  1.000 35.284  ? 80  SER HHH O    1 
ATOM   1123 C CB   . SER A 1 74  ? 14.828  1.519  27.982  1.000 38.251  ? 80  SER HHH CB   1 
ATOM   1124 O OG   . SER A 1 74  ? 14.380  1.245  29.268  1.000 44.177  ? 80  SER HHH OG   1 
ATOM   1125 H H    . SER A 1 74  ? 14.821  2.666  25.871  1.000 33.553  ? 80  SER HHH H    1 
ATOM   1126 H HA   . SER A 1 74  ? 13.424  0.653  26.804  1.000 35.572  ? 80  SER HHH HA   1 
ATOM   1127 H HB2  . SER A 1 74  ? 15.441  0.812  27.678  1.000 39.164  ? 80  SER HHH HB2  1 
ATOM   1128 H HB3  . SER A 1 74  ? 15.306  2.379  27.971  1.000 38.334  ? 80  SER HHH HB3  1 
ATOM   1129 H HG   . SER A 1 74  ? 15.052  1.225  29.758  0.000 30.000  ? 80  SER HHH HG   1 
ATOM   1130 N N    . THR A 1 75  ? 12.175  3.484  27.819  1.000 31.776  ? 81  THR HHH N    1 
ATOM   1131 C CA   . THR A 1 75  ? 11.050  4.102  28.560  1.000 31.512  ? 81  THR HHH CA   1 
ATOM   1132 C C    . THR A 1 75  ? 9.982   4.523  27.553  1.000 31.312  ? 81  THR HHH C    1 
ATOM   1133 O O    . THR A 1 75  ? 9.014   5.161  27.946  1.000 32.091  ? 81  THR HHH O    1 
ATOM   1134 C CB   . THR A 1 75  ? 11.485  5.288  29.423  1.000 31.505  ? 81  THR HHH CB   1 
ATOM   1135 O OG1  . THR A 1 75  ? 11.980  6.306  28.561  1.000 28.685  ? 81  THR HHH OG1  1 
ATOM   1136 C CG2  . THR A 1 75  ? 12.492  4.937  30.495  1.000 33.092  ? 81  THR HHH CG2  1 
ATOM   1137 H H    . THR A 1 75  ? 12.717  4.097  27.418  1.000 31.520  ? 81  THR HHH H    1 
ATOM   1138 H HA   . THR A 1 75  ? 10.664  3.417  29.152  1.000 32.687  ? 81  THR HHH HA   1 
ATOM   1139 H HB   . THR A 1 75  ? 10.678  5.636  29.871  1.000 31.295  ? 81  THR HHH HB   1 
ATOM   1140 H HG1  . THR A 1 75  ? 12.222  6.971  29.030  0.000 30.000  ? 81  THR HHH HG1  1 
ATOM   1141 H HG21 . THR A 1 75  ? 12.060  4.403  31.185  1.000 33.960  ? 81  THR HHH HG21 1 
ATOM   1142 H HG22 . THR A 1 75  ? 12.843  5.754  30.892  1.000 32.998  ? 81  THR HHH HG22 1 
ATOM   1143 H HG23 . THR A 1 75  ? 13.224  4.428  30.104  1.000 33.159  ? 81  THR HHH HG23 1 
ATOM   1144 N N    . ASN A 1 76  ? 10.209  4.269  26.273  1.000 30.994  ? 82  ASN HHH N    1 
ATOM   1145 C CA   . ASN A 1 76  ? 9.186   4.454  25.217  1.000 32.384  ? 82  ASN HHH CA   1 
ATOM   1146 C C    . ASN A 1 76  ? 8.832   5.954  25.123  1.000 31.720  ? 82  ASN HHH C    1 
ATOM   1147 O O    . ASN A 1 76  ? 7.640   6.313  24.857  1.000 32.321  ? 82  ASN HHH O    1 
ATOM   1148 C CB   . ASN A 1 76  ? 7.973   3.548  25.505  1.000 31.993  ? 82  ASN HHH CB   1 
ATOM   1149 C CG   . ASN A 1 76  ? 7.263   3.188  24.214  1.000 33.199  ? 82  ASN HHH CG   1 
ATOM   1150 O OD1  . ASN A 1 76  ? 7.934   2.868  23.255  1.000 31.772  ? 82  ASN HHH OD1  1 
ATOM   1151 N ND2  . ASN A 1 76  ? 5.936   3.228  24.169  1.000 31.598  ? 82  ASN HHH ND2  1 
ATOM   1152 H H    . ASN A 1 76  ? 11.008  3.976  25.959  1.000 31.414  ? 82  ASN HHH H    1 
ATOM   1153 H HA   . ASN A 1 76  ? 9.579   4.172  24.359  1.000 31.493  ? 82  ASN HHH HA   1 
ATOM   1154 H HB2  . ASN A 1 76  ? 8.277   2.731  25.950  1.000 33.466  ? 82  ASN HHH HB2  1 
ATOM   1155 H HB3  . ASN A 1 76  ? 7.352   4.014  26.102  1.000 32.749  ? 82  ASN HHH HB3  1 
ATOM   1156 H HD21 . ASN A 1 76  ? 5.537   3.019  23.395  0.000 30.000  ? 82  ASN HHH HD21 1 
ATOM   1157 H HD22 . ASN A 1 76  ? 5.478   3.454  24.861  0.000 30.000  ? 82  ASN HHH HD22 1 
ATOM   1158 N N    . THR A 1 77  ? 9.790   6.836  25.387  1.000 31.877  ? 83  THR HHH N    1 
ATOM   1159 C CA   . THR A 1 77  ? 9.577   8.312  25.546  1.000 30.450  ? 83  THR HHH CA   1 
ATOM   1160 C C    . THR A 1 77  ? 10.534  9.100  24.639  1.000 30.736  ? 83  THR HHH C    1 
ATOM   1161 O O    . THR A 1 77  ? 11.750  8.790  24.642  1.000 31.283  ? 83  THR HHH O    1 
ATOM   1162 C CB   . THR A 1 77  ? 9.802   8.737  27.013  1.000 32.772  ? 83  THR HHH CB   1 
ATOM   1163 O OG1  . THR A 1 77  ? 8.927   8.007  27.880  1.000 32.759  ? 83  THR HHH OG1  1 
ATOM   1164 C CG2  . THR A 1 77  ? 9.574   10.222 27.238  1.000 34.044  ? 83  THR HHH CG2  1 
ATOM   1165 H H    . THR A 1 77  ? 10.665  6.602  25.481  1.000 31.824  ? 83  THR HHH H    1 
ATOM   1166 H HA   . THR A 1 77  ? 8.652   8.522  25.291  1.000 30.811  ? 83  THR HHH HA   1 
ATOM   1167 H HB   . THR A 1 77  ? 10.735  8.523  27.254  1.000 33.002  ? 83  THR HHH HB   1 
ATOM   1168 H HG1  . THR A 1 77  ? 9.068   8.242  28.684  0.000 30.000  ? 83  THR HHH HG1  1 
ATOM   1169 H HG21 . THR A 1 77  ? 10.354  10.722 26.936  1.000 33.242  ? 83  THR HHH HG21 1 
ATOM   1170 H HG22 . THR A 1 77  ? 9.430   10.390 28.186  1.000 33.985  ? 83  THR HHH HG22 1 
ATOM   1171 H HG23 . THR A 1 77  ? 8.791   10.511 26.736  1.000 32.966  ? 83  THR HHH HG23 1 
ATOM   1172 N N    . ALA A 1 78  ? 10.041  10.160 23.996  1.000 30.392  ? 84  ALA HHH N    1 
ATOM   1173 C CA   . ALA A 1 78  ? 10.810  11.059 23.115  1.000 29.316  ? 84  ALA HHH CA   1 
ATOM   1174 C C    . ALA A 1 78  ? 10.902  12.373 23.868  1.000 30.877  ? 84  ALA HHH C    1 
ATOM   1175 O O    . ALA A 1 78  ? 10.092  12.588 24.786  1.000 29.042  ? 84  ALA HHH O    1 
ATOM   1176 C CB   . ALA A 1 78  ? 10.126  11.257 21.769  1.000 30.612  ? 84  ALA HHH CB   1 
ATOM   1177 H H    . ALA A 1 78  ? 9.167   10.410 24.058  1.000 29.972  ? 84  ALA HHH H    1 
ATOM   1178 H HA   . ALA A 1 78  ? 11.714  10.696 22.979  1.000 30.364  ? 84  ALA HHH HA   1 
ATOM   1179 H HB1  . ALA A 1 78  ? 10.669  11.839 21.211  1.000 29.915  ? 84  ALA HHH HB1  1 
ATOM   1180 H HB2  . ALA A 1 78  ? 10.017  10.397 21.330  1.000 30.171  ? 84  ALA HHH HB2  1 
ATOM   1181 H HB3  . ALA A 1 78  ? 9.253   11.663 21.905  1.000 29.832  ? 84  ALA HHH HB3  1 
ATOM   1182 N N    . PHE A 1 79  ? 11.925  13.160 23.569  1.000 31.247  ? 85  PHE HHH N    1 
ATOM   1183 C CA   . PHE A 1 79  ? 12.264  14.401 24.293  1.000 29.749  ? 85  PHE HHH CA   1 
ATOM   1184 C C    . PHE A 1 79  ? 12.610  15.456 23.258  1.000 31.684  ? 85  PHE HHH C    1 
ATOM   1185 O O    . PHE A 1 79  ? 13.277  15.147 22.266  1.000 30.259  ? 85  PHE HHH O    1 
ATOM   1186 C CB   . PHE A 1 79  ? 13.463  14.199 25.212  1.000 30.583  ? 85  PHE HHH CB   1 
ATOM   1187 C CG   . PHE A 1 79  ? 13.236  13.171 26.291  1.000 32.226  ? 85  PHE HHH CG   1 
ATOM   1188 C CD1  . PHE A 1 79  ? 12.654  13.528 27.489  1.000 32.155  ? 85  PHE HHH CD1  1 
ATOM   1189 C CD2  . PHE A 1 79  ? 13.601  11.843 26.102  1.000 33.514  ? 85  PHE HHH CD2  1 
ATOM   1190 C CE1  . PHE A 1 79  ? 12.399  12.573 28.461  1.000 33.732  ? 85  PHE HHH CE1  1 
ATOM   1191 C CE2  . PHE A 1 79  ? 13.373  10.892 27.083  1.000 35.287  ? 85  PHE HHH CE2  1 
ATOM   1192 C CZ   . PHE A 1 79  ? 12.780  11.265 28.264  1.000 35.266  ? 85  PHE HHH CZ   1 
ATOM   1193 H H    . PHE A 1 79  ? 12.505  12.985 22.887  1.000 30.800  ? 85  PHE HHH H    1 
ATOM   1194 H HA   . PHE A 1 79  ? 11.485  14.699 24.822  1.000 30.322  ? 85  PHE HHH HA   1 
ATOM   1195 H HB2  . PHE A 1 79  ? 14.229  13.925 24.667  1.000 31.046  ? 85  PHE HHH HB2  1 
ATOM   1196 H HB3  . PHE A 1 79  ? 13.683  15.057 25.631  1.000 31.087  ? 85  PHE HHH HB3  1 
ATOM   1197 H HD1  . PHE A 1 79  ? 12.382  14.422 27.627  1.000 32.358  ? 85  PHE HHH HD1  1 
ATOM   1198 H HD2  . PHE A 1 79  ? 14.004  11.585 25.288  1.000 33.311  ? 85  PHE HHH HD2  1 
ATOM   1199 H HE1  . PHE A 1 79  ? 12.006  12.830 29.280  1.000 34.170  ? 85  PHE HHH HE1  1 
ATOM   1200 H HE2  . PHE A 1 79  ? 13.628  9.994  26.941  1.000 35.076  ? 85  PHE HHH HE2  1 
ATOM   1201 H HZ   . PHE A 1 79  ? 12.627  10.623 28.938  1.000 35.621  ? 85  PHE HHH HZ   1 
ATOM   1202 N N    . MET A 1 80  ? 12.215  16.681 23.542  1.000 32.262  ? 86  MET HHH N    1 
ATOM   1203 C CA   . MET A 1 80  ? 12.618  17.875 22.774  1.000 31.386  ? 86  MET HHH CA   1 
ATOM   1204 C C    . MET A 1 80  ? 13.225  18.818 23.806  1.000 30.802  ? 86  MET HHH C    1 
ATOM   1205 O O    . MET A 1 80  ? 12.542  19.137 24.827  1.000 28.388  ? 86  MET HHH O    1 
ATOM   1206 C CB   . MET A 1 80  ? 11.421  18.486 22.043  1.000 29.849  ? 86  MET HHH CB   1 
ATOM   1207 C CG   . MET A 1 80  ? 11.760  19.644 21.120  1.000 33.635  ? 86  MET HHH CG   1 
ATOM   1208 S SD   . MET A 1 80  ? 12.121  21.129 22.080  1.000 38.850  ? 86  MET HHH SD   1 
ATOM   1209 C CE   . MET A 1 80  ? 10.546  21.396 22.910  1.000 38.527  ? 86  MET HHH CE   1 
ATOM   1210 H H    . MET A 1 80  ? 11.656  16.867 24.238  1.000 31.798  ? 86  MET HHH H    1 
ATOM   1211 H HA   . MET A 1 80  ? 13.310  17.618 22.124  1.000 31.369  ? 86  MET HHH HA   1 
ATOM   1212 H HB2  . MET A 1 80  ? 10.998  17.785 21.517  1.000 30.578  ? 86  MET HHH HB2  1 
ATOM   1213 H HB3  . MET A 1 80  ? 10.772  18.788 22.707  1.000 30.739  ? 86  MET HHH HB3  1 
ATOM   1214 H HG2  . MET A 1 80  ? 12.542  19.412 20.574  1.000 34.118  ? 86  MET HHH HG2  1 
ATOM   1215 H HG3  . MET A 1 80  ? 11.004  19.820 20.520  1.000 33.465  ? 86  MET HHH HG3  1 
ATOM   1216 H HE1  . MET A 1 80  ? 10.433  22.338 23.088  1.000 38.592  ? 86  MET HHH HE1  1 
ATOM   1217 H HE2  . MET A 1 80  ? 9.828   21.086 22.345  1.000 37.995  ? 86  MET HHH HE2  1 
ATOM   1218 H HE3  . MET A 1 80  ? 10.535  20.908 23.743  1.000 38.430  ? 86  MET HHH HE3  1 
ATOM   1219 N N    . GLU A 1 81  ? 14.491  19.166 23.589  1.000 30.512  ? 87  GLU HHH N    1 
ATOM   1220 C CA   . GLU A 1 81  ? 15.205  20.163 24.380  1.000 33.481  ? 87  GLU HHH CA   1 
ATOM   1221 C C    . GLU A 1 81  ? 15.352  21.430 23.547  1.000 35.338  ? 87  GLU HHH C    1 
ATOM   1222 O O    . GLU A 1 81  ? 15.892  21.351 22.408  1.000 35.352  ? 87  GLU HHH O    1 
ATOM   1223 C CB   . GLU A 1 81  ? 16.587  19.681 24.777  1.000 36.944  ? 87  GLU HHH CB   1 
ATOM   1224 C CG   . GLU A 1 81  ? 17.259  20.725 25.635  1.000 41.969  ? 87  GLU HHH CG   1 
ATOM   1225 C CD   . GLU A 1 81  ? 18.561  20.192 26.161  1.000 49.293  ? 87  GLU HHH CD   1 
ATOM   1226 O OE1  . GLU A 1 81  ? 19.523  20.054 25.352  1.000 57.307  ? 87  GLU HHH OE1  1 
ATOM   1227 O OE2  . GLU A 1 81  ? 18.585  19.875 27.333  1.000 53.087  ? 87  GLU HHH OE2  1 
ATOM   1228 H H    . GLU A 1 81  ? 14.995  18.796 22.927  1.000 31.376  ? 87  GLU HHH H    1 
ATOM   1229 H HA   . GLU A 1 81  ? 14.686  20.362 25.189  1.000 33.706  ? 87  GLU HHH HA   1 
ATOM   1230 H HB2  . GLU A 1 81  ? 16.509  18.841 25.275  1.000 37.183  ? 87  GLU HHH HB2  1 
ATOM   1231 H HB3  . GLU A 1 81  ? 17.121  19.520 23.970  1.000 37.378  ? 87  GLU HHH HB3  1 
ATOM   1232 H HG2  . GLU A 1 81  ? 17.431  21.533 25.108  1.000 42.568  ? 87  GLU HHH HG2  1 
ATOM   1233 H HG3  . GLU A 1 81  ? 16.677  20.963 26.387  1.000 42.217  ? 87  GLU HHH HG3  1 
ATOM   1234 N N    . LEU A 1 82  ? 14.968  22.566 24.130  1.000 34.186  ? 88  LEU HHH N    1 
ATOM   1235 C CA   . LEU A 1 82  ? 15.126  23.883 23.465  1.000 33.980  ? 88  LEU HHH CA   1 
ATOM   1236 C C    . LEU A 1 82  ? 15.898  24.796 24.412  1.000 35.211  ? 88  LEU HHH C    1 
ATOM   1237 O O    . LEU A 1 82  ? 15.487  24.931 25.558  1.000 34.632  ? 88  LEU HHH O    1 
ATOM   1238 C CB   . LEU A 1 82  ? 13.760  24.455 23.102  1.000 33.792  ? 88  LEU HHH CB   1 
ATOM   1239 C CG   . LEU A 1 82  ? 13.833  25.743 22.289  1.000 36.173  ? 88  LEU HHH CG   1 
ATOM   1240 C CD1  . LEU A 1 82  ? 14.446  25.476 20.908  1.000 36.184  ? 88  LEU HHH CD1  1 
ATOM   1241 C CD2  . LEU A 1 82  ? 12.467  26.371 22.138  1.000 35.691  ? 88  LEU HHH CD2  1 
ATOM   1242 H H    . LEU A 1 82  ? 14.589  22.602 24.958  1.000 34.244  ? 88  LEU HHH H    1 
ATOM   1243 H HA   . LEU A 1 82  ? 15.655  23.757 22.647  1.000 34.544  ? 88  LEU HHH HA   1 
ATOM   1244 H HB2  . LEU A 1 82  ? 13.265  23.786 22.590  1.000 33.386  ? 88  LEU HHH HB2  1 
ATOM   1245 H HB3  . LEU A 1 82  ? 13.264  24.630 23.927  1.000 33.855  ? 88  LEU HHH HB3  1 
ATOM   1246 H HG   . LEU A 1 82  ? 14.415  26.382 22.768  1.000 36.599  ? 88  LEU HHH HG   1 
ATOM   1247 H HD11 . LEU A 1 82  ? 15.411  25.386 20.993  1.000 37.031  ? 88  LEU HHH HD11 1 
ATOM   1248 H HD12 . LEU A 1 82  ? 14.241  26.217 20.312  1.000 36.593  ? 88  LEU HHH HD12 1 
ATOM   1249 H HD13 . LEU A 1 82  ? 14.076  24.654 20.541  1.000 35.623  ? 88  LEU HHH HD13 1 
ATOM   1250 H HD21 . LEU A 1 82  ? 11.886  25.770 21.640  1.000 34.962  ? 88  LEU HHH HD21 1 
ATOM   1251 H HD22 . LEU A 1 82  ? 12.548  27.214 21.660  1.000 36.132  ? 88  LEU HHH HD22 1 
ATOM   1252 H HD23 . LEU A 1 82  ? 12.086  26.534 23.019  1.000 35.453  ? 88  LEU HHH HD23 1 
ATOM   1253 N N    . SER A 1 83  ? 17.000  25.362 23.938  1.000 35.782  ? 89  SER HHH N    1 
ATOM   1254 C CA   . SER A 1 83  ? 17.985  26.070 24.780  1.000 39.856  ? 89  SER HHH CA   1 
ATOM   1255 C C    . SER A 1 83  ? 17.961  27.564 24.440  1.000 39.087  ? 89  SER HHH C    1 
ATOM   1256 O O    . SER A 1 83  ? 17.300  27.951 23.430  1.000 37.779  ? 89  SER HHH O    1 
ATOM   1257 C CB   . SER A 1 83  ? 19.354  25.429 24.630  1.000 43.896  ? 89  SER HHH CB   1 
ATOM   1258 O OG   . SER A 1 83  ? 19.955  25.843 23.408  1.000 48.375  ? 89  SER HHH OG   1 
ATOM   1259 H H    . SER A 1 83  ? 17.231  25.359 23.057  1.000 36.614  ? 89  SER HHH H    1 
ATOM   1260 H HA   . SER A 1 83  ? 17.703  25.972 25.728  1.000 39.479  ? 89  SER HHH HA   1 
ATOM   1261 H HB2  . SER A 1 83  ? 19.926  25.692 25.387  1.000 45.008  ? 89  SER HHH HB2  1 
ATOM   1262 H HB3  . SER A 1 83  ? 19.261  24.449 24.639  1.000 43.359  ? 89  SER HHH HB3  1 
ATOM   1263 H HG   . SER A 1 83  ? 20.707  25.451 23.349  0.000 30.000  ? 89  SER HHH HG   1 
ATOM   1264 N N    . ARG A 1 84  ? 18.533  28.399 25.314  1.000 41.098  ? 90  ARG HHH N    1 
ATOM   1265 C CA   . ARG A 1 84  ? 18.609  29.867 25.080  1.000 42.008  ? 90  ARG HHH CA   1 
ATOM   1266 C C    . ARG A 1 84  ? 17.214  30.425 24.808  1.000 41.146  ? 90  ARG HHH C    1 
ATOM   1267 O O    . ARG A 1 84  ? 17.034  31.201 23.839  1.000 44.735  ? 90  ARG HHH O    1 
ATOM   1268 C CB   . ARG A 1 84  ? 19.585  30.112 23.934  1.000 44.576  ? 90  ARG HHH CB   1 
ATOM   1269 C CG   . ARG A 1 84  ? 20.946  29.521 24.256  1.000 47.702  ? 90  ARG HHH CG   1 
ATOM   1270 C CD   . ARG A 1 84  ? 22.070  30.074 23.407  1.000 54.303  ? 90  ARG HHH CD   1 
ATOM   1271 N NE   . ARG A 1 84  ? 22.130  29.517 22.062  1.000 57.423  ? 90  ARG HHH NE   1 
ATOM   1272 C CZ   . ARG A 1 84  ? 22.419  28.249 21.765  1.000 61.950  ? 90  ARG HHH CZ   1 
ATOM   1273 N NH1  . ARG A 1 84  ? 22.617  27.347 22.716  1.000 64.013  ? 90  ARG HHH NH1  1 
ATOM   1274 N NH2  . ARG A 1 84  ? 22.467  27.869 20.498  1.000 66.189  ? 90  ARG HHH NH2  1 
ATOM   1275 H H    . ARG A 1 84  ? 18.907  28.122 26.097  1.000 41.349  ? 90  ARG HHH H    1 
ATOM   1276 H HA   . ARG A 1 84  ? 18.964  30.292 25.894  1.000 43.301  ? 90  ARG HHH HA   1 
ATOM   1277 H HB2  . ARG A 1 84  ? 19.235  29.704 23.115  1.000 43.838  ? 90  ARG HHH HB2  1 
ATOM   1278 H HB3  . ARG A 1 84  ? 19.674  31.077 23.787  1.000 45.586  ? 90  ARG HHH HB3  1 
ATOM   1279 H HG2  . ARG A 1 84  ? 21.153  29.694 25.199  1.000 48.883  ? 90  ARG HHH HG2  1 
ATOM   1280 H HG3  . ARG A 1 84  ? 20.904  28.550 24.136  1.000 47.529  ? 90  ARG HHH HG3  1 
ATOM   1281 H HD2  . ARG A 1 84  ? 21.967  31.047 23.341  1.000 54.636  ? 90  ARG HHH HD2  1 
ATOM   1282 H HD3  . ARG A 1 84  ? 22.923  29.899 23.859  1.000 55.043  ? 90  ARG HHH HD3  1 
ATOM   1283 H HE   . ARG A 1 84  ? 22.014  30.067 21.395  1.000 58.462  ? 90  ARG HHH HE   1 
ATOM   1284 H HH11 . ARG A 1 84  ? 22.601  27.579 23.560  1.000 63.067  ? 90  ARG HHH HH11 1 
ATOM   1285 H HH12 . ARG A 1 84  ? 22.800  26.515 22.496  1.000 62.509  ? 90  ARG HHH HH12 1 
ATOM   1286 H HH21 . ARG A 1 84  ? 22.323  28.456 19.857  1.000 64.703  ? 90  ARG HHH HH21 1 
ATOM   1287 H HH22 . ARG A 1 84  ? 22.638  27.029 20.297  1.000 63.876  ? 90  ARG HHH HH22 1 
ATOM   1288 N N    . LEU A 1 85  ? 16.283  30.120 25.700  1.000 37.181  ? 91  LEU HHH N    1 
ATOM   1289 C CA   . LEU A 1 85  ? 14.868  30.545 25.585  1.000 36.612  ? 91  LEU HHH CA   1 
ATOM   1290 C C    . LEU A 1 85  ? 14.761  32.071 25.711  1.000 37.522  ? 91  LEU HHH C    1 
ATOM   1291 O O    . LEU A 1 85  ? 15.556  32.671 26.461  1.000 37.211  ? 91  LEU HHH O    1 
ATOM   1292 C CB   . LEU A 1 85  ? 14.082  29.846 26.691  1.000 35.347  ? 91  LEU HHH CB   1 
ATOM   1293 C CG   . LEU A 1 85  ? 14.023  28.342 26.561  1.000 34.849  ? 91  LEU HHH CG   1 
ATOM   1294 C CD1  . LEU A 1 85  ? 13.484  27.692 27.812  1.000 35.773  ? 91  LEU HHH CD1  1 
ATOM   1295 C CD2  . LEU A 1 85  ? 13.180  27.973 25.370  1.000 36.122  ? 91  LEU HHH CD2  1 
ATOM   1296 H H    . LEU A 1 85  ? 16.468  29.645 26.455  1.000 38.037  ? 91  LEU HHH H    1 
ATOM   1297 H HA   . LEU A 1 85  ? 14.529  30.269 24.707  1.000 35.781  ? 91  LEU HHH HA   1 
ATOM   1298 H HB2  . LEU A 1 85  ? 14.488  30.071 27.552  1.000 36.314  ? 91  LEU HHH HB2  1 
ATOM   1299 H HB3  . LEU A 1 85  ? 13.169  30.196 26.692  1.000 34.945  ? 91  LEU HHH HB3  1 
ATOM   1300 H HG   . LEU A 1 85  ? 14.939  28.004 26.407  1.000 36.051  ? 91  LEU HHH HG   1 
ATOM   1301 H HD11 . LEU A 1 85  ? 14.074  27.889 28.560  1.000 36.274  ? 91  LEU HHH HD11 1 
ATOM   1302 H HD12 . LEU A 1 85  ? 13.435  26.729 27.684  1.000 34.834  ? 91  LEU HHH HD12 1 
ATOM   1303 H HD13 . LEU A 1 85  ? 12.595  28.040 28.001  1.000 34.878  ? 91  LEU HHH HD13 1 
ATOM   1304 H HD21 . LEU A 1 85  ? 12.355  28.488 25.382  1.000 34.947  ? 91  LEU HHH HD21 1 
ATOM   1305 H HD22 . LEU A 1 85  ? 12.969  27.024 25.402  1.000 34.693  ? 91  LEU HHH HD22 1 
ATOM   1306 H HD23 . LEU A 1 85  ? 13.670  28.166 24.552  1.000 35.696  ? 91  LEU HHH HD23 1 
ATOM   1307 N N    . THR A 1 86  ? 13.811  32.645 24.983  1.000 35.678  ? 92  THR HHH N    1 
ATOM   1308 C CA   . THR A 1 86  ? 13.298  34.017 25.151  1.000 37.471  ? 92  THR HHH CA   1 
ATOM   1309 C C    . THR A 1 86  ? 11.783  33.906 25.165  1.000 36.732  ? 92  THR HHH C    1 
ATOM   1310 O O    . THR A 1 86  ? 11.265  32.830 24.847  1.000 33.376  ? 92  THR HHH O    1 
ATOM   1311 C CB   . THR A 1 86  ? 13.770  34.936 24.016  1.000 39.435  ? 92  THR HHH CB   1 
ATOM   1312 O OG1  . THR A 1 86  ? 12.977  34.593 22.882  1.000 36.660  ? 92  THR HHH OG1  1 
ATOM   1313 C CG2  . THR A 1 86  ? 15.261  34.818 23.705  1.000 40.105  ? 92  THR HHH CG2  1 
ATOM   1314 H H    . THR A 1 86  ? 13.399  32.212 24.295  1.000 35.485  ? 92  THR HHH H    1 
ATOM   1315 H HA   . THR A 1 86  ? 13.609  34.373 26.015  1.000 38.210  ? 92  THR HHH HA   1 
ATOM   1316 H HB   . THR A 1 86  ? 13.572  35.869 24.272  1.000 39.428  ? 92  THR HHH HB   1 
ATOM   1317 H HG1  . THR A 1 86  ? 13.189  35.084 22.233  0.000 30.000  ? 92  THR HHH HG1  1 
ATOM   1318 H HG21 . THR A 1 86  ? 15.772  34.871 24.533  1.000 40.985  ? 92  THR HHH HG21 1 
ATOM   1319 H HG22 . THR A 1 86  ? 15.529  35.543 23.113  1.000 41.368  ? 92  THR HHH HG22 1 
ATOM   1320 H HG23 . THR A 1 86  ? 15.438  33.964 23.272  1.000 39.813  ? 92  THR HHH HG23 1 
ATOM   1321 N N    . SER A 1 87  ? 11.090  34.993 25.480  1.000 38.299  ? 93  SER HHH N    1 
ATOM   1322 C CA   . SER A 1 87  ? 9.608   35.070 25.448  1.000 38.438  ? 93  SER HHH CA   1 
ATOM   1323 C C    . SER A 1 87  ? 9.062   34.749 24.047  1.000 36.389  ? 93  SER HHH C    1 
ATOM   1324 O O    . SER A 1 87  ? 7.912   34.371 23.969  1.000 36.183  ? 93  SER HHH O    1 
ATOM   1325 C CB   . SER A 1 87  ? 9.172   36.428 25.941  1.000 40.410  ? 93  SER HHH CB   1 
ATOM   1326 O OG   . SER A 1 87  ? 9.828   37.409 25.181  1.000 39.025  ? 93  SER HHH OG   1 
ATOM   1327 H H    . SER A 1 87  ? 11.476  35.776 25.741  1.000 39.287  ? 93  SER HHH H    1 
ATOM   1328 H HA   . SER A 1 87  ? 9.255   34.385 26.077  1.000 37.431  ? 93  SER HHH HA   1 
ATOM   1329 H HB2  . SER A 1 87  ? 8.198   36.522 25.842  1.000 38.821  ? 93  SER HHH HB2  1 
ATOM   1330 H HB3  . SER A 1 87  ? 9.403   36.529 26.892  1.000 39.830  ? 93  SER HHH HB3  1 
ATOM   1331 H HG   . SER A 1 87  ? 9.613   38.171 25.446  0.000 30.000  ? 93  SER HHH HG   1 
ATOM   1332 N N    . ASP A 1 88  ? 9.874   34.849 22.990  1.000 39.811  ? 94  ASP HHH N    1 
ATOM   1333 C CA   . ASP A 1 88  ? 9.521   34.387 21.618  1.000 40.474  ? 94  ASP HHH CA   1 
ATOM   1334 C C    . ASP A 1 88  ? 9.258   32.868 21.605  1.000 38.778  ? 94  ASP HHH C    1 
ATOM   1335 O O    . ASP A 1 88  ? 8.599   32.386 20.644  1.000 35.633  ? 94  ASP HHH O    1 
ATOM   1336 C CB   . ASP A 1 88  ? 10.622  34.678 20.586  1.000 44.015  ? 94  ASP HHH CB   1 
ATOM   1337 C CG   . ASP A 1 88  ? 10.829  36.151 20.292  1.000 47.669  ? 94  ASP HHH CG   1 
ATOM   1338 O OD1  . ASP A 1 88  ? 9.851   36.899 20.342  1.000 49.854  ? 94  ASP HHH OD1  1 
ATOM   1339 O OD2  . ASP A 1 88  ? 11.992  36.548 20.058  1.000 56.982  ? 94  ASP HHH OD2  1 
ATOM   1340 H H    . ASP A 1 88  ? 10.698  35.233 23.041  1.000 40.371  ? 94  ASP HHH H    1 
ATOM   1341 H HA   . ASP A 1 88  ? 8.698   34.850 21.338  1.000 40.468  ? 94  ASP HHH HA   1 
ATOM   1342 H HB2  . ASP A 1 88  ? 11.467  34.305 20.906  1.000 44.234  ? 94  ASP HHH HB2  1 
ATOM   1343 H HB3  . ASP A 1 88  ? 10.393  34.231 19.745  1.000 43.646  ? 94  ASP HHH HB3  1 
ATOM   1344 N N    . ASP A 1 89  ? 9.691   32.138 22.635  1.000 36.678  ? 95  ASP HHH N    1 
ATOM   1345 C CA   . ASP A 1 89  ? 9.542   30.663 22.685  1.000 36.160  ? 95  ASP HHH CA   1 
ATOM   1346 C C    . ASP A 1 89  ? 8.306   30.260 23.501  1.000 33.207  ? 95  ASP HHH C    1 
ATOM   1347 O O    . ASP A 1 89  ? 8.071   29.051 23.679  1.000 33.884  ? 95  ASP HHH O    1 
ATOM   1348 C CB   . ASP A 1 89  ? 10.831  30.038 23.229  1.000 36.116  ? 95  ASP HHH CB   1 
ATOM   1349 C CG   . ASP A 1 89  ? 12.029  30.282 22.337  1.000 37.099  ? 95  ASP HHH CG   1 
ATOM   1350 O OD1  . ASP A 1 89  ? 11.877  30.119 21.085  1.000 35.416  ? 95  ASP HHH OD1  1 
ATOM   1351 O OD2  . ASP A 1 89  ? 13.091  30.676 22.889  1.000 37.400  ? 95  ASP HHH OD2  1 
ATOM   1352 H H    . ASP A 1 89  ? 10.120  32.491 23.353  1.000 37.683  ? 95  ASP HHH H    1 
ATOM   1353 H HA   . ASP A 1 89  ? 9.418   30.337 21.763  1.000 35.394  ? 95  ASP HHH HA   1 
ATOM   1354 H HB2  . ASP A 1 89  ? 11.020  30.404 24.116  1.000 36.578  ? 95  ASP HHH HB2  1 
ATOM   1355 H HB3  . ASP A 1 89  ? 10.706  29.071 23.318  1.000 35.573  ? 95  ASP HHH HB3  1 
ATOM   1356 N N    . THR A 1 90  ? 7.588   31.214 24.064  1.000 33.172  ? 96  THR HHH N    1 
ATOM   1357 C CA   . THR A 1 90  ? 6.367   30.919 24.857  1.000 31.723  ? 96  THR HHH CA   1 
ATOM   1358 C C    . THR A 1 90  ? 5.368   30.286 23.893  1.000 31.587  ? 96  THR HHH C    1 
ATOM   1359 O O    . THR A 1 90  ? 5.056   30.901 22.863  1.000 30.204  ? 96  THR HHH O    1 
ATOM   1360 C CB   . THR A 1 90  ? 5.789   32.150 25.557  1.000 31.039  ? 96  THR HHH CB   1 
ATOM   1361 O OG1  . THR A 1 90  ? 6.682   32.440 26.631  1.000 32.055  ? 96  THR HHH OG1  1 
ATOM   1362 C CG2  . THR A 1 90  ? 4.397   31.917 26.087  1.000 30.344  ? 96  THR HHH CG2  1 
ATOM   1363 H H    . THR A 1 90  ? 7.779   32.102 24.016  1.000 33.663  ? 96  THR HHH H    1 
ATOM   1364 H HA   . THR A 1 90  ? 6.607   30.257 25.541  1.000 31.611  ? 96  THR HHH HA   1 
ATOM   1365 H HB   . THR A 1 90  ? 5.778   32.906 24.922  1.000 31.662  ? 96  THR HHH HB   1 
ATOM   1366 H HG1  . THR A 1 90  ? 6.405   33.119 27.058  0.000 30.000  ? 96  THR HHH HG1  1 
ATOM   1367 H HG21 . THR A 1 90  ? 3.748   32.045 25.371  1.000 30.130  ? 96  THR HHH HG21 1 
ATOM   1368 H HG22 . THR A 1 90  ? 4.213   32.548 26.806  1.000 30.697  ? 96  THR HHH HG22 1 
ATOM   1369 H HG23 . THR A 1 90  ? 4.325   31.008 26.430  1.000 29.983  ? 96  THR HHH HG23 1 
ATOM   1370 N N    . ALA A 1 91  ? 4.988   29.043 24.154  1.000 29.053  ? 97  ALA HHH N    1 
ATOM   1371 C CA   . ALA A 1 91  ? 4.128   28.265 23.242  1.000 29.053  ? 97  ALA HHH CA   1 
ATOM   1372 C C    . ALA A 1 91  ? 3.647   26.999 23.924  1.000 27.971  ? 97  ALA HHH C    1 
ATOM   1373 O O    . ALA A 1 91  ? 4.242   26.568 24.917  1.000 28.639  ? 97  ALA HHH O    1 
ATOM   1374 C CB   . ALA A 1 91  ? 4.863   27.900 21.971  1.000 28.316  ? 97  ALA HHH CB   1 
ATOM   1375 H H    . ALA A 1 91  ? 5.224   28.581 24.904  1.000 29.565  ? 97  ALA HHH H    1 
ATOM   1376 H HA   . ALA A 1 91  ? 3.343   28.814 23.009  1.000 28.709  ? 97  ALA HHH HA   1 
ATOM   1377 H HB1  . ALA A 1 91  ? 4.340   27.257 21.464  1.000 28.299  ? 97  ALA HHH HB1  1 
ATOM   1378 H HB2  . ALA A 1 91  ? 5.000   28.698 21.434  1.000 29.041  ? 97  ALA HHH HB2  1 
ATOM   1379 H HB3  . ALA A 1 91  ? 5.725   27.511 22.194  1.000 28.685  ? 97  ALA HHH HB3  1 
ATOM   1380 N N    . LEU A 1 92  ? 2.626   26.430 23.322  1.000 29.552  ? 98  LEU HHH N    1 
ATOM   1381 C CA   . LEU A 1 92  ? 2.191   25.046 23.529  1.000 30.862  ? 98  LEU HHH CA   1 
ATOM   1382 C C    . LEU A 1 92  ? 3.067   24.169 22.616  1.000 30.037  ? 98  LEU HHH C    1 
ATOM   1383 O O    . LEU A 1 92  ? 3.099   24.407 21.379  1.000 29.847  ? 98  LEU HHH O    1 
ATOM   1384 C CB   . LEU A 1 92  ? 0.693   25.022 23.230  1.000 32.520  ? 98  LEU HHH CB   1 
ATOM   1385 C CG   . LEU A 1 92  ? -0.085  23.779 23.676  1.000 36.326  ? 98  LEU HHH CG   1 
ATOM   1386 C CD1  . LEU A 1 92  ? 0.133   23.441 25.147  1.000 35.748  ? 98  LEU HHH CD1  1 
ATOM   1387 C CD2  . LEU A 1 92  ? -1.570  23.988 23.379  1.000 36.120  ? 98  LEU HHH CD2  1 
ATOM   1388 H H    . LEU A 1 92  ? 2.117   26.878 22.713  1.000 29.550  ? 98  LEU HHH H    1 
ATOM   1389 H HA   . LEU A 1 92  ? 2.351   24.801 24.469  1.000 30.757  ? 98  LEU HHH HA   1 
ATOM   1390 H HB2  . LEU A 1 92  ? 0.286   25.803 23.656  1.000 33.068  ? 98  LEU HHH HB2  1 
ATOM   1391 H HB3  . LEU A 1 92  ? 0.575   25.124 22.265  1.000 33.001  ? 98  LEU HHH HB3  1 
ATOM   1392 H HG   . LEU A 1 92  ? 0.230   23.012 23.137  1.000 35.269  ? 98  LEU HHH HG   1 
ATOM   1393 H HD11 . LEU A 1 92  ? 1.000   23.013 25.257  1.000 35.877  ? 98  LEU HHH HD11 1 
ATOM   1394 H HD12 . LEU A 1 92  ? -0.566  22.837 25.449  1.000 36.129  ? 98  LEU HHH HD12 1 
ATOM   1395 H HD13 . LEU A 1 92  ? 0.106   24.258 25.676  1.000 36.060  ? 98  LEU HHH HD13 1 
ATOM   1396 H HD21 . LEU A 1 92  ? -1.900  24.747 23.890  1.000 36.356  ? 98  LEU HHH HD21 1 
ATOM   1397 H HD22 . LEU A 1 92  ? -2.067  23.190 23.627  1.000 36.404  ? 98  LEU HHH HD22 1 
ATOM   1398 H HD23 . LEU A 1 92  ? -1.690  24.161 22.429  1.000 36.312  ? 98  LEU HHH HD23 1 
ATOM   1399 N N    . TYR A 1 93  ? 3.834   23.273 23.228  1.000 28.156  ? 99  TYR HHH N    1 
ATOM   1400 C CA   . TYR A 1 93  ? 4.771   22.345 22.549  1.000 28.425  ? 99  TYR HHH CA   1 
ATOM   1401 C C    . TYR A 1 93  ? 4.109   20.981 22.392  1.000 28.020  ? 99  TYR HHH C    1 
ATOM   1402 O O    . TYR A 1 93  ? 3.961   20.244 23.380  1.000 31.074  ? 99  TYR HHH O    1 
ATOM   1403 C CB   . TYR A 1 93  ? 6.109   22.253 23.297  1.000 27.585  ? 99  TYR HHH CB   1 
ATOM   1404 C CG   . TYR A 1 93  ? 6.927   23.488 23.104  1.000 29.295  ? 99  TYR HHH CG   1 
ATOM   1405 C CD1  . TYR A 1 93  ? 6.640   24.647 23.820  1.000 29.958  ? 99  TYR HHH CD1  1 
ATOM   1406 C CD2  . TYR A 1 93  ? 7.911   23.548 22.134  1.000 30.421  ? 99  TYR HHH CD2  1 
ATOM   1407 C CE1  . TYR A 1 93  ? 7.357   25.815 23.642  1.000 32.078  ? 99  TYR HHH CE1  1 
ATOM   1408 C CE2  . TYR A 1 93  ? 8.620   24.727 21.935  1.000 34.118  ? 99  TYR HHH CE2  1 
ATOM   1409 C CZ   . TYR A 1 93  ? 8.345   25.868 22.679  1.000 32.446  ? 99  TYR HHH CZ   1 
ATOM   1410 O OH   . TYR A 1 93  ? 9.037   27.021 22.443  1.000 32.687  ? 99  TYR HHH OH   1 
ATOM   1411 H H    . TYR A 1 93  ? 3.836   23.160 24.132  1.000 28.725  ? 99  TYR HHH H    1 
ATOM   1412 H HA   . TYR A 1 93  ? 4.953   22.702 21.642  1.000 28.187  ? 99  TYR HHH HA   1 
ATOM   1413 H HB2  . TYR A 1 93  ? 5.934   22.123 24.252  1.000 28.224  ? 99  TYR HHH HB2  1 
ATOM   1414 H HB3  . TYR A 1 93  ? 6.607   21.476 22.966  1.000 28.142  ? 99  TYR HHH HB3  1 
ATOM   1415 H HD1  . TYR A 1 93  ? 5.965   24.623 24.477  1.000 30.149  ? 99  TYR HHH HD1  1 
ATOM   1416 H HD2  . TYR A 1 93  ? 8.108   22.787 21.614  1.000 30.796  ? 99  TYR HHH HD2  1 
ATOM   1417 H HE1  . TYR A 1 93  ? 7.145   26.584 24.144  1.000 31.862  ? 99  TYR HHH HE1  1 
ATOM   1418 H HE2  . TYR A 1 93  ? 9.296   24.757 21.278  1.000 33.089  ? 99  TYR HHH HE2  1 
ATOM   1419 H HH   . TYR A 1 93  ? 9.436   27.273 23.153  0.000 30.000  ? 99  TYR HHH HH   1 
ATOM   1420 N N    . TYR A 1 94  ? 3.672   20.690 21.171  1.000 27.710  ? 100 TYR HHH N    1 
ATOM   1421 C CA   . TYR A 1 94  ? 3.049   19.399 20.818  1.000 28.504  ? 100 TYR HHH CA   1 
ATOM   1422 C C    . TYR A 1 94  ? 4.122   18.426 20.350  1.000 29.065  ? 100 TYR HHH C    1 
ATOM   1423 O O    . TYR A 1 94  ? 5.003   18.791 19.480  1.000 29.527  ? 100 TYR HHH O    1 
ATOM   1424 C CB   . TYR A 1 94  ? 2.051   19.531 19.679  1.000 28.849  ? 100 TYR HHH CB   1 
ATOM   1425 C CG   . TYR A 1 94  ? 0.833   20.364 19.928  1.000 29.905  ? 100 TYR HHH CG   1 
ATOM   1426 C CD1  . TYR A 1 94  ? -0.194  19.891 20.717  1.000 30.807  ? 100 TYR HHH CD1  1 
ATOM   1427 C CD2  . TYR A 1 94  ? 0.682   21.600 19.330  1.000 31.872  ? 100 TYR HHH CD2  1 
ATOM   1428 C CE1  . TYR A 1 94  ? -1.373  20.596 20.876  1.000 32.629  ? 100 TYR HHH CE1  1 
ATOM   1429 C CE2  . TYR A 1 94  ? -0.469  22.337 19.514  1.000 36.288  ? 100 TYR HHH CE2  1 
ATOM   1430 C CZ   . TYR A 1 94  ? -1.499  21.838 20.296  1.000 35.703  ? 100 TYR HHH CZ   1 
ATOM   1431 O OH   . TYR A 1 94  ? -2.662  22.543 20.480  1.000 41.358  ? 100 TYR HHH OH   1 
ATOM   1432 H H    . TYR A 1 94  ? 3.723   21.263 20.464  1.000 28.039  ? 100 TYR HHH H    1 
ATOM   1433 H HA   . TYR A 1 94  ? 2.592   19.025 21.613  1.000 28.539  ? 100 TYR HHH HA   1 
ATOM   1434 H HB2  . TYR A 1 94  ? 2.523   19.899 18.905  1.000 29.122  ? 100 TYR HHH HB2  1 
ATOM   1435 H HB3  . TYR A 1 94  ? 1.756   18.628 19.435  1.000 29.187  ? 100 TYR HHH HB3  1 
ATOM   1436 H HD1  . TYR A 1 94  ? -0.120  19.033 21.098  1.000 31.282  ? 100 TYR HHH HD1  1 
ATOM   1437 H HD2  . TYR A 1 94  ? 1.371   21.942 18.784  1.000 32.461  ? 100 TYR HHH HD2  1 
ATOM   1438 H HE1  . TYR A 1 94  ? -2.061  20.257 21.425  1.000 33.189  ? 100 TYR HHH HE1  1 
ATOM   1439 H HE2  . TYR A 1 94  ? -0.561  23.180 19.100  1.000 35.022  ? 100 TYR HHH HE2  1 
ATOM   1440 H HH   . TYR A 1 94  ? -2.799  22.675 21.319  0.000 30.000  ? 100 TYR HHH HH   1 
ATOM   1441 N N    . CYS A 1 95  ? 4.010   17.176 20.795  1.000 29.337  ? 101 CYS HHH N    1 
ATOM   1442 C CA   . CYS A 1 95  ? 4.579   16.064 19.996  1.000 29.994  ? 101 CYS HHH CA   1 
ATOM   1443 C C    . CYS A 1 95  ? 3.454   15.367 19.236  1.000 29.371  ? 101 CYS HHH C    1 
ATOM   1444 O O    . CYS A 1 95  ? 2.269   15.489 19.611  1.000 31.474  ? 101 CYS HHH O    1 
ATOM   1445 C CB   . CYS A 1 95  ? 5.335   15.062 20.840  1.000 33.893  ? 101 CYS HHH CB   1 
ATOM   1446 S SG   . CYS A 1 95  ? 4.195   14.217 21.941  1.000 39.374  ? 101 CYS HHH SG   1 
ATOM   1447 H H    . CYS A 1 95  ? 3.594   16.914 21.558  1.000 29.496  ? 101 CYS HHH H    1 
ATOM   1448 H HA   . CYS A 1 95  ? 5.204   16.447 19.344  1.000 30.358  ? 101 CYS HHH HA   1 
ATOM   1449 H HB2  . CYS A 1 95  ? 5.775   14.406 20.264  1.000 34.163  ? 101 CYS HHH HB2  1 
ATOM   1450 H HB3  . CYS A 1 95  ? 6.017   15.522 21.371  1.000 34.005  ? 101 CYS HHH HB3  1 
ATOM   1451 N N    . GLY A 1 96  ? 3.820   14.604 18.222  1.000 28.082  ? 102 GLY HHH N    1 
ATOM   1452 C CA   . GLY A 1 96  ? 2.857   13.978 17.316  1.000 27.022  ? 102 GLY HHH CA   1 
ATOM   1453 C C    . GLY A 1 96  ? 3.448   12.743 16.718  1.000 27.646  ? 102 GLY HHH C    1 
ATOM   1454 O O    . GLY A 1 96  ? 4.691   12.631 16.647  1.000 30.473  ? 102 GLY HHH O    1 
ATOM   1455 H H    . GLY A 1 96  ? 4.694   14.431 18.032  1.000 27.999  ? 102 GLY HHH H    1 
ATOM   1456 H HA2  . GLY A 1 96  ? 2.038   13.746 17.818  1.000 27.653  ? 102 GLY HHH HA2  1 
ATOM   1457 H HA3  . GLY A 1 96  ? 2.619   14.617 16.598  1.000 27.574  ? 102 GLY HHH HA3  1 
ATOM   1458 N N    . ARG A 1 97  ? 2.608   11.852 16.275  1.000 27.955  ? 103 ARG HHH N    1 
ATOM   1459 C CA   . ARG A 1 97  ? 3.060   10.631 15.599  1.000 28.558  ? 103 ARG HHH CA   1 
ATOM   1460 C C    . ARG A 1 97  ? 2.612   10.766 14.142  1.000 28.824  ? 103 ARG HHH C    1 
ATOM   1461 O O    . ARG A 1 97  ? 1.397   11.040 13.896  1.000 28.914  ? 103 ARG HHH O    1 
ATOM   1462 C CB   . ARG A 1 97  ? 2.463   9.431  16.307  1.000 29.871  ? 103 ARG HHH CB   1 
ATOM   1463 C CG   . ARG A 1 97  ? 3.034   8.110  15.830  1.000 33.186  ? 103 ARG HHH CG   1 
ATOM   1464 C CD   . ARG A 1 97  ? 2.330   6.907  16.394  1.000 32.092  ? 103 ARG HHH CD   1 
ATOM   1465 N NE   . ARG A 1 97  ? 1.129   6.628  15.643  1.000 35.181  ? 103 ARG HHH NE   1 
ATOM   1466 C CZ   . ARG A 1 97  ? 0.374   5.550  15.846  1.000 39.766  ? 103 ARG HHH CZ   1 
ATOM   1467 N NH1  . ARG A 1 97  ? 0.685   4.689  16.809  1.000 38.995  ? 103 ARG HHH NH1  1 
ATOM   1468 N NH2  . ARG A 1 97  ? -0.689  5.324  15.094  1.000 41.243  ? 103 ARG HHH NH2  1 
ATOM   1469 H H    . ARG A 1 97  ? 1.704   11.930 16.354  1.000 28.323  ? 103 ARG HHH H    1 
ATOM   1470 H HA   . ARG A 1 97  ? 4.042   10.581 15.638  1.000 28.339  ? 103 ARG HHH HA   1 
ATOM   1471 H HB2  . ARG A 1 97  ? 2.626   9.519  17.269  1.000 30.036  ? 103 ARG HHH HB2  1 
ATOM   1472 H HB3  . ARG A 1 97  ? 1.494   9.430  16.162  1.000 30.750  ? 103 ARG HHH HB3  1 
ATOM   1473 H HG2  . ARG A 1 97  ? 2.985   8.073  14.851  1.000 32.340  ? 103 ARG HHH HG2  1 
ATOM   1474 H HG3  . ARG A 1 97  ? 3.982   8.064  16.080  1.000 31.675  ? 103 ARG HHH HG3  1 
ATOM   1475 H HD2  . ARG A 1 97  ? 2.928   6.131  16.361  1.000 33.224  ? 103 ARG HHH HD2  1 
ATOM   1476 H HD3  . ARG A 1 97  ? 2.098   7.074  17.332  1.000 32.927  ? 103 ARG HHH HD3  1 
ATOM   1477 H HE   . ARG A 1 97  ? 0.913   7.164  14.989  1.000 35.571  ? 103 ARG HHH HE   1 
ATOM   1478 H HH11 . ARG A 1 97  ? 1.392   4.821  17.308  1.000 38.615  ? 103 ARG HHH HH11 1 
ATOM   1479 H HH12 . ARG A 1 97  ? 0.179   3.982  16.943  1.000 40.016  ? 103 ARG HHH HH12 1 
ATOM   1480 H HH21 . ARG A 1 97  ? -0.903  5.891  14.456  1.000 40.873  ? 103 ARG HHH HH21 1 
ATOM   1481 H HH22 . ARG A 1 97  ? -1.193  4.616  15.245  1.000 41.703  ? 103 ARG HHH HH22 1 
ATOM   1482 N N    . SER A 1 98  ? 3.537   10.550 13.221  1.000 28.931  ? 104 SER HHH N    1 
ATOM   1483 C CA   . SER A 1 98  ? 3.260   10.467 11.759  1.000 30.480  ? 104 SER HHH CA   1 
ATOM   1484 C C    . SER A 1 98  ? 3.349   8.988  11.321  1.000 32.391  ? 104 SER HHH C    1 
ATOM   1485 O O    . SER A 1 98  ? 2.939   8.103  12.109  1.000 31.920  ? 104 SER HHH O    1 
ATOM   1486 C CB   . SER A 1 98  ? 4.166   11.412 11.003  1.000 30.612  ? 104 SER HHH CB   1 
ATOM   1487 O OG   . SER A 1 98  ? 5.553   11.119 11.216  1.000 29.699  ? 104 SER HHH OG   1 
ATOM   1488 H H    . SER A 1 98  ? 4.420   10.435 13.413  1.000 28.802  ? 104 SER HHH H    1 
ATOM   1489 H HA   . SER A 1 98  ? 2.323   10.766 11.613  1.000 30.963  ? 104 SER HHH HA   1 
ATOM   1490 H HB2  . SER A 1 98  ? 3.965   11.356 10.044  1.000 31.149  ? 104 SER HHH HB2  1 
ATOM   1491 H HB3  . SER A 1 98  ? 3.983   12.333 11.296  1.000 30.124  ? 104 SER HHH HB3  1 
ATOM   1492 H HG   . SER A 1 98  ? 6.029   11.671 10.773  0.000 30.000  ? 104 SER HHH HG   1 
ATOM   1493 N N    . GLY A 1 99  ? 3.831   8.692  10.112  1.000 34.316  ? 105 GLY HHH N    1 
ATOM   1494 C CA   . GLY A 1 99  ? 3.828   7.318  9.570   1.000 33.637  ? 105 GLY HHH CA   1 
ATOM   1495 C C    . GLY A 1 99  ? 4.826   6.394  10.257  1.000 33.332  ? 105 GLY HHH C    1 
ATOM   1496 O O    . GLY A 1 99  ? 5.639   6.841  11.077  1.000 33.085  ? 105 GLY HHH O    1 
ATOM   1497 H H    . GLY A 1 99  ? 4.197   9.314  9.560   1.000 33.690  ? 105 GLY HHH H    1 
ATOM   1498 H HA2  . GLY A 1 99  ? 2.918   6.941  9.667   1.000 34.508  ? 105 GLY HHH HA2  1 
ATOM   1499 H HA3  . GLY A 1 99  ? 4.035   7.358  8.603   1.000 34.610  ? 105 GLY HHH HA3  1 
ATOM   1500 N N    . ARG A 1 100 ? 4.787   5.112  9.915   1.000 35.131  ? 106 ARG HHH N    1 
ATOM   1501 C CA   . ARG A 1 100 ? 5.776   4.129  10.392  1.000 36.498  ? 106 ARG HHH CA   1 
ATOM   1502 C C    . ARG A 1 100 ? 7.154   4.477  9.836   1.000 35.431  ? 106 ARG HHH C    1 
ATOM   1503 O O    . ARG A 1 100 ? 7.251   5.071  8.757   1.000 33.602  ? 106 ARG HHH O    1 
ATOM   1504 C CB   . ARG A 1 100 ? 5.385   2.721  9.982   1.000 39.883  ? 106 ARG HHH CB   1 
ATOM   1505 C CG   . ARG A 1 100 ? 4.074   2.278  10.610  1.000 43.601  ? 106 ARG HHH CG   1 
ATOM   1506 C CD   . ARG A 1 100 ? 4.010   0.766  10.592  1.000 48.324  ? 106 ARG HHH CD   1 
ATOM   1507 N NE   . ARG A 1 100 ? 2.615   0.435  10.778  1.000 54.320  ? 106 ARG HHH NE   1 
ATOM   1508 C CZ   . ARG A 1 100 ? 2.107   -0.190 11.837  1.000 57.986  ? 106 ARG HHH CZ   1 
ATOM   1509 N NH1  . ARG A 1 100 ? 2.904   -0.596 12.815  1.000 58.528  ? 106 ARG HHH NH1  1 
ATOM   1510 N NH2  . ARG A 1 100 ? 0.799   -0.414 11.903  1.000 58.071  ? 106 ARG HHH NH2  1 
ATOM   1511 H H    . ARG A 1 100 ? 4.151   4.767  9.360   1.000 36.043  ? 106 ARG HHH H    1 
ATOM   1512 H HA   . ARG A 1 100 ? 5.808   4.177  11.372  1.000 35.928  ? 106 ARG HHH HA   1 
ATOM   1513 H HB2  . ARG A 1 100 ? 5.302   2.686  9.006   1.000 40.652  ? 106 ARG HHH HB2  1 
ATOM   1514 H HB3  . ARG A 1 100 ? 6.097   2.103  10.251  1.000 39.969  ? 106 ARG HHH HB3  1 
ATOM   1515 H HG2  . ARG A 1 100 ? 4.021   2.599  11.535  1.000 42.998  ? 106 ARG HHH HG2  1 
ATOM   1516 H HG3  . ARG A 1 100 ? 3.319   2.648  10.105  1.000 44.092  ? 106 ARG HHH HG3  1 
ATOM   1517 H HD2  . ARG A 1 100 ? 4.329   0.421  9.731   1.000 49.011  ? 106 ARG HHH HD2  1 
ATOM   1518 H HD3  . ARG A 1 100 ? 4.560   0.392  11.310  1.000 48.230  ? 106 ARG HHH HD3  1 
ATOM   1519 H HE   . ARG A 1 100 ? 2.056   0.695  10.161  1.000 54.477  ? 106 ARG HHH HE   1 
ATOM   1520 H HH11 . ARG A 1 100 ? 3.766   -0.447 12.779  1.000 57.209  ? 106 ARG HHH HH11 1 
ATOM   1521 H HH12 . ARG A 1 100 ? 2.562   -1.013 13.509  1.000 58.264  ? 106 ARG HHH HH12 1 
ATOM   1522 H HH21 . ARG A 1 100 ? 0.273   -0.146 11.248  1.000 58.706  ? 106 ARG HHH HH21 1 
ATOM   1523 H HH22 . ARG A 1 100 ? 0.459   -0.838 12.596  1.000 58.643  ? 106 ARG HHH HH22 1 
ATOM   1524 N N    . THR A 1 101 ? 8.173   4.115  10.589  1.000 35.012  ? 107 THR HHH N    1 
ATOM   1525 C CA   . THR A 1 101 ? 9.571   4.401  10.250  1.000 36.893  ? 107 THR HHH CA   1 
ATOM   1526 C C    . THR A 1 101 ? 9.966   3.594  9.026   1.000 39.380  ? 107 THR HHH C    1 
ATOM   1527 O O    . THR A 1 101 ? 11.033  3.868  8.521   1.000 41.463  ? 107 THR HHH O    1 
ATOM   1528 C CB   . THR A 1 101 ? 10.469  4.119  11.442  1.000 37.274  ? 107 THR HHH CB   1 
ATOM   1529 O OG1  . THR A 1 101 ? 10.228  2.775  11.855  1.000 38.591  ? 107 THR HHH OG1  1 
ATOM   1530 C CG2  . THR A 1 101 ? 10.212  5.076  12.585  1.000 34.751  ? 107 THR HHH CG2  1 
ATOM   1531 H H    . THR A 1 101 ? 8.084   3.651  11.369  1.000 35.345  ? 107 THR HHH H    1 
ATOM   1532 H HA   . THR A 1 101 ? 9.638   5.355  10.029  1.000 36.687  ? 107 THR HHH HA   1 
ATOM   1533 H HB   . THR A 1 101 ? 11.409  4.206  11.155  1.000 36.994  ? 107 THR HHH HB   1 
ATOM   1534 H HG1  . THR A 1 101 ? 10.721  2.591  12.506  0.000 30.000  ? 107 THR HHH HG1  1 
ATOM   1535 H HG21 . THR A 1 101 ? 10.224  5.992  12.254  1.000 35.062  ? 107 THR HHH HG21 1 
ATOM   1536 H HG22 . THR A 1 101 ? 10.903  4.967  13.263  1.000 35.053  ? 107 THR HHH HG22 1 
ATOM   1537 H HG23 . THR A 1 101 ? 9.342   4.886  12.978  1.000 35.241  ? 107 THR HHH HG23 1 
ATOM   1538 N N    . ASP A 1 102 ? 9.167   2.607  8.613   1.000 37.916  ? 108 ASP HHH N    1 
ATOM   1539 C CA   . ASP A 1 102 ? 9.451   1.827  7.388   1.000 40.659  ? 108 ASP HHH CA   1 
ATOM   1540 C C    . ASP A 1 102 ? 8.422   2.157  6.296   1.000 39.015  ? 108 ASP HHH C    1 
ATOM   1541 O O    . ASP A 1 102 ? 8.361   1.426  5.323   1.000 39.777  ? 108 ASP HHH O    1 
ATOM   1542 C CB   . ASP A 1 102 ? 9.544   0.332  7.717   1.000 43.840  ? 108 ASP HHH CB   1 
ATOM   1543 C CG   . ASP A 1 102 ? 8.217   -0.346 8.039   1.000 45.720  ? 108 ASP HHH CG   1 
ATOM   1544 O OD1  . ASP A 1 102 ? 7.171   0.342  8.084   1.000 47.555  ? 108 ASP HHH OD1  1 
ATOM   1545 O OD2  . ASP A 1 102 ? 8.248   -1.561 8.233   1.000 51.944  ? 108 ASP HHH OD2  1 
ATOM   1546 H H    . ASP A 1 102 ? 8.426   2.337  9.064   1.000 38.841  ? 108 ASP HHH H    1 
ATOM   1547 H HA   . ASP A 1 102 ? 10.337  2.104  7.055   1.000 40.279  ? 108 ASP HHH HA   1 
ATOM   1548 H HB2  . ASP A 1 102 ? 9.944   -0.133 6.955   1.000 44.137  ? 108 ASP HHH HB2  1 
ATOM   1549 H HB3  . ASP A 1 102 ? 10.137  0.217  8.487   1.000 42.953  ? 108 ASP HHH HB3  1 
ATOM   1550 N N    . ALA A 1 103 ? 7.620   3.201  6.444   1.000 37.009  ? 109 ALA HHH N    1 
ATOM   1551 C CA   . ALA A 1 103 ? 6.510   3.468  5.505   1.000 40.558  ? 109 ALA HHH CA   1 
ATOM   1552 C C    . ALA A 1 103 ? 6.826   4.727  4.702   1.000 38.318  ? 109 ALA HHH C    1 
ATOM   1553 O O    . ALA A 1 103 ? 7.730   5.439  5.091   1.000 37.343  ? 109 ALA HHH O    1 
ATOM   1554 C CB   . ALA A 1 103 ? 5.216   3.632  6.263   1.000 40.455  ? 109 ALA HHH CB   1 
ATOM   1555 H H    . ALA A 1 103 ? 7.692   3.825  7.101   1.000 37.191  ? 109 ALA HHH H    1 
ATOM   1556 H HA   . ALA A 1 103 ? 6.423   2.709  4.882   1.000 40.532  ? 109 ALA HHH HA   1 
ATOM   1557 H HB1  . ALA A 1 103 ? 4.518   3.928  5.656   1.000 41.144  ? 109 ALA HHH HB1  1 
ATOM   1558 H HB2  . ALA A 1 103 ? 4.961   2.780  6.657   1.000 40.651  ? 109 ALA HHH HB2  1 
ATOM   1559 H HB3  . ALA A 1 103 ? 5.333   4.291  6.967   1.000 39.518  ? 109 ALA HHH HB3  1 
ATOM   1560 N N    . ARG A 1 104 ? 6.019   5.005  3.694   1.000 39.760  ? 110 ARG HHH N    1 
ATOM   1561 C CA   . ARG A 1 104 ? 5.989   6.288  2.943   1.000 40.212  ? 110 ARG HHH CA   1 
ATOM   1562 C C    . ARG A 1 104 ? 5.830   7.451  3.923   1.000 39.186  ? 110 ARG HHH C    1 
ATOM   1563 O O    . ARG A 1 104 ? 5.217   7.266  5.031   1.000 39.116  ? 110 ARG HHH O    1 
ATOM   1564 C CB   . ARG A 1 104 ? 4.859   6.247  1.923   1.000 41.802  ? 110 ARG HHH CB   1 
ATOM   1565 C CG   . ARG A 1 104 ? 4.761   7.490  1.054   1.000 43.012  ? 110 ARG HHH CG   1 
ATOM   1566 C CD   . ARG A 1 104 ? 3.735   7.269  -0.022  1.000 45.204  ? 110 ARG HHH CD   1 
ATOM   1567 N NE   . ARG A 1 104 ? 3.795   8.317  -1.042  1.000 46.895  ? 110 ARG HHH NE   1 
ATOM   1568 C CZ   . ARG A 1 104 ? 2.992   8.383  -2.096  1.000 48.306  ? 110 ARG HHH CZ   1 
ATOM   1569 N NH1  . ARG A 1 104 ? 2.067   7.467  -2.271  1.000 49.457  ? 110 ARG HHH NH1  1 
ATOM   1570 N NH2  . ARG A 1 104 ? 3.103   9.354  -2.983  1.000 50.776  ? 110 ARG HHH NH2  1 
ATOM   1571 H H    . ARG A 1 104 ? 5.409   4.400  3.391   1.000 40.480  ? 110 ARG HHH H    1 
ATOM   1572 H HA   . ARG A 1 104 ? 6.845   6.389  2.467   1.000 40.489  ? 110 ARG HHH HA   1 
ATOM   1573 H HB2  . ARG A 1 104 ? 4.990   5.467  1.345   1.000 42.767  ? 110 ARG HHH HB2  1 
ATOM   1574 H HB3  . ARG A 1 104 ? 4.012   6.128  2.401   1.000 41.759  ? 110 ARG HHH HB3  1 
ATOM   1575 H HG2  . ARG A 1 104 ? 4.500   8.261  1.602   1.000 42.242  ? 110 ARG HHH HG2  1 
ATOM   1576 H HG3  . ARG A 1 104 ? 5.632   7.679  0.644   1.000 43.145  ? 110 ARG HHH HG3  1 
ATOM   1577 H HD2  . ARG A 1 104 ? 3.886   6.397  -0.444  1.000 45.963  ? 110 ARG HHH HD2  1 
ATOM   1578 H HD3  . ARG A 1 104 ? 2.840   7.260  0.381   1.000 45.168  ? 110 ARG HHH HD3  1 
ATOM   1579 H HE   . ARG A 1 104 ? 4.401   8.937  -0.955  1.000 46.199  ? 110 ARG HHH HE   1 
ATOM   1580 H HH11 . ARG A 1 104 ? 1.976   6.812  -1.695  1.000 48.788  ? 110 ARG HHH HH11 1 
ATOM   1581 H HH12 . ARG A 1 104 ? 1.534   7.512  -2.970  1.000 50.829  ? 110 ARG HHH HH12 1 
ATOM   1582 H HH21 . ARG A 1 104 ? 3.719   9.975  -2.878  1.000 49.828  ? 110 ARG HHH HH21 1 
ATOM   1583 H HH22 . ARG A 1 104 ? 2.560   9.383  -3.675  1.000 51.720  ? 110 ARG HHH HH22 1 
ATOM   1584 N N    . ARG A 1 105 ? 6.393   8.598  3.577   1.000 38.216  ? 111 ARG HHH N    1 
ATOM   1585 C CA   . ARG A 1 105 ? 6.258   9.791  4.437   1.000 39.592  ? 111 ARG HHH CA   1 
ATOM   1586 C C    . ARG A 1 105 ? 4.772   10.103 4.642   1.000 39.494  ? 111 ARG HHH C    1 
ATOM   1587 O O    . ARG A 1 105 ? 3.942   9.990  3.669   1.000 41.622  ? 111 ARG HHH O    1 
ATOM   1588 C CB   . ARG A 1 105 ? 7.034   10.978 3.865   1.000 41.031  ? 111 ARG HHH CB   1 
ATOM   1589 C CG   . ARG A 1 105 ? 6.425   11.667 2.669   1.000 43.902  ? 111 ARG HHH CG   1 
ATOM   1590 C CD   . ARG A 1 105 ? 7.124   13.006 2.402   1.000 47.454  ? 111 ARG HHH CD   1 
ATOM   1591 N NE   . ARG A 1 105 ? 8.566   12.823 2.366   1.000 44.844  ? 111 ARG HHH NE   1 
ATOM   1592 C CZ   . ARG A 1 105 ? 9.416   13.260 3.289   1.000 44.475  ? 111 ARG HHH CZ   1 
ATOM   1593 N NH1  . ARG A 1 105 ? 8.995   13.987 4.304   1.000 43.260  ? 111 ARG HHH NH1  1 
ATOM   1594 N NH2  . ARG A 1 105 ? 10.697  12.954 3.187   1.000 43.304  ? 111 ARG HHH NH2  1 
ATOM   1595 H H    . ARG A 1 105 ? 6.877   8.718  2.814   1.000 39.727  ? 111 ARG HHH H    1 
ATOM   1596 H HA   . ARG A 1 105 ? 6.645   9.569  5.315   1.000 38.319  ? 111 ARG HHH HA   1 
ATOM   1597 H HB2  . ARG A 1 105 ? 7.145   11.640 4.578   1.000 40.336  ? 111 ARG HHH HB2  1 
ATOM   1598 H HB3  . ARG A 1 105 ? 7.928   10.663 3.617   1.000 41.287  ? 111 ARG HHH HB3  1 
ATOM   1599 H HG2  . ARG A 1 105 ? 6.511   11.093 1.878   1.000 45.262  ? 111 ARG HHH HG2  1 
ATOM   1600 H HG3  . ARG A 1 105 ? 5.472   11.831 2.828   1.000 44.292  ? 111 ARG HHH HG3  1 
ATOM   1601 H HD2  . ARG A 1 105 ? 6.821   13.366 1.543   1.000 47.200  ? 111 ARG HHH HD2  1 
ATOM   1602 H HD3  . ARG A 1 105 ? 6.881   13.646 3.101   1.000 45.258  ? 111 ARG HHH HD3  1 
ATOM   1603 H HE   . ARG A 1 105 ? 8.889   12.314 1.736   1.000 46.348  ? 111 ARG HHH HE   1 
ATOM   1604 H HH11 . ARG A 1 105 ? 8.145   14.179 4.393   1.000 43.190  ? 111 ARG HHH HH11 1 
ATOM   1605 H HH12 . ARG A 1 105 ? 9.572   14.278 4.900   1.000 42.719  ? 111 ARG HHH HH12 1 
ATOM   1606 H HH21 . ARG A 1 105 ? 10.982  12.474 2.505   1.000 44.566  ? 111 ARG HHH HH21 1 
ATOM   1607 H HH22 . ARG A 1 105 ? 11.271  13.263 3.779   1.000 43.254  ? 111 ARG HHH HH22 1 
ATOM   1608 N N    . ALA A 1 106 ? 4.443   10.598 5.826   1.000 37.866  ? 112 ALA HHH N    1 
ATOM   1609 C CA   . ALA A 1 106 ? 3.040   10.871 6.185   1.000 39.017  ? 112 ALA HHH CA   1 
ATOM   1610 C C    . ALA A 1 106 ? 2.993   12.110 7.056   1.000 35.566  ? 112 ALA HHH C    1 
ATOM   1611 O O    . ALA A 1 106 ? 3.979   12.452 7.716   1.000 35.865  ? 112 ALA HHH O    1 
ATOM   1612 C CB   . ALA A 1 106 ? 2.489   9.630  6.855   1.000 38.512  ? 112 ALA HHH CB   1 
ATOM   1613 H H    . ALA A 1 106 ? 5.035   10.798 6.490   1.000 37.384  ? 112 ALA HHH H    1 
ATOM   1614 H HA   . ALA A 1 106 ? 2.530   11.044 5.361   1.000 39.249  ? 112 ALA HHH HA   1 
ATOM   1615 H HB1  . ALA A 1 106 ? 1.617   9.827  7.236   1.000 38.644  ? 112 ALA HHH HB1  1 
ATOM   1616 H HB2  . ALA A 1 106 ? 2.401   8.918  6.199   1.000 39.474  ? 112 ALA HHH HB2  1 
ATOM   1617 H HB3  . ALA A 1 106 ? 3.093   9.345  7.560   1.000 37.830  ? 112 ALA HHH HB3  1 
ATOM   1618 N N    . PRO A 1 107 ? 1.858   12.830 7.114   1.000 35.069  ? 113 PRO HHH N    1 
ATOM   1619 C CA   . PRO A 1 107 ? 1.720   13.919 8.083   1.000 34.336  ? 113 PRO HHH CA   1 
ATOM   1620 C C    . PRO A 1 107 ? 1.419   13.404 9.499   1.000 33.763  ? 113 PRO HHH C    1 
ATOM   1621 O O    . PRO A 1 107 ? 1.221   12.216 9.672   1.000 33.597  ? 113 PRO HHH O    1 
ATOM   1622 C CB   . PRO A 1 107 ? 0.558   14.732 7.528   1.000 36.753  ? 113 PRO HHH CB   1 
ATOM   1623 C CG   . PRO A 1 107 ? -0.268  13.750 6.712   1.000 36.509  ? 113 PRO HHH CG   1 
ATOM   1624 C CD   . PRO A 1 107 ? 0.655   12.630 6.303   1.000 37.234  ? 113 PRO HHH CD   1 
ATOM   1625 H HA   . PRO A 1 107 ? 2.541   14.472 8.084   1.000 34.322  ? 113 PRO HHH HA   1 
ATOM   1626 H HB2  . PRO A 1 107 ? 0.022   15.115 8.255   1.000 35.538  ? 113 PRO HHH HB2  1 
ATOM   1627 H HB3  . PRO A 1 107 ? 0.885   15.463 6.961   1.000 36.382  ? 113 PRO HHH HB3  1 
ATOM   1628 H HG2  . PRO A 1 107 ? -1.010  13.402 7.248   1.000 36.941  ? 113 PRO HHH HG2  1 
ATOM   1629 H HG3  . PRO A 1 107 ? -0.639  14.192 5.921   1.000 37.954  ? 113 PRO HHH HG3  1 
ATOM   1630 H HD2  . PRO A 1 107 ? 0.253   11.762 6.490   1.000 37.092  ? 113 PRO HHH HD2  1 
ATOM   1631 H HD3  . PRO A 1 107 ? 0.864   12.680 5.353   1.000 37.785  ? 113 PRO HHH HD3  1 
ATOM   1632 N N    . VAL A 1 108 ? 1.409   14.298 10.483  1.000 32.887  ? 114 VAL HHH N    1 
ATOM   1633 C CA   . VAL A 1 108 ? 1.104   13.969 11.905  1.000 33.071  ? 114 VAL HHH CA   1 
ATOM   1634 C C    . VAL A 1 108 ? -0.387  13.649 12.005  1.000 35.242  ? 114 VAL HHH C    1 
ATOM   1635 O O    . VAL A 1 108 ? -1.198  14.529 11.640  1.000 33.960  ? 114 VAL HHH O    1 
ATOM   1636 C CB   . VAL A 1 108 ? 1.502   15.111 12.861  1.000 33.138  ? 114 VAL HHH CB   1 
ATOM   1637 C CG1  . VAL A 1 108 ? 1.031   14.841 14.280  1.000 34.507  ? 114 VAL HHH CG1  1 
ATOM   1638 C CG2  . VAL A 1 108 ? 2.997   15.335 12.822  1.000 33.252  ? 114 VAL HHH CG2  1 
ATOM   1639 H H    . VAL A 1 108 ? 1.585   15.180 10.343  1.000 33.062  ? 114 VAL HHH H    1 
ATOM   1640 H HA   . VAL A 1 108 ? 1.609   13.173 12.149  1.000 33.171  ? 114 VAL HHH HA   1 
ATOM   1641 H HB   . VAL A 1 108 ? 1.060   15.937 12.544  1.000 33.621  ? 114 VAL HHH HB   1 
ATOM   1642 H HG11 . VAL A 1 108 ? 0.062   14.772 14.296  1.000 34.280  ? 114 VAL HHH HG11 1 
ATOM   1643 H HG12 . VAL A 1 108 ? 1.312   15.570 14.860  1.000 33.411  ? 114 VAL HHH HG12 1 
ATOM   1644 H HG13 . VAL A 1 108 ? 1.419   14.007 14.598  1.000 33.805  ? 114 VAL HHH HG13 1 
ATOM   1645 H HG21 . VAL A 1 108 ? 3.457   14.489 12.966  1.000 32.999  ? 114 VAL HHH HG21 1 
ATOM   1646 H HG22 . VAL A 1 108 ? 3.250   15.963 13.521  1.000 32.602  ? 114 VAL HHH HG22 1 
ATOM   1647 H HG23 . VAL A 1 108 ? 3.250   15.697 11.955  1.000 33.511  ? 114 VAL HHH HG23 1 
ATOM   1648 N N    . SER A 1 109 ? -0.727  12.425 12.437  1.000 34.543  ? 115 SER HHH N    1 
ATOM   1649 C CA   . SER A 1 109 ? -2.125  11.937 12.542  1.000 34.853  ? 115 SER HHH CA   1 
ATOM   1650 C C    . SER A 1 109 ? -2.585  11.878 14.009  1.000 34.948  ? 115 SER HHH C    1 
ATOM   1651 O O    . SER A 1 109 ? -3.802  12.030 14.221  1.000 35.290  ? 115 SER HHH O    1 
ATOM   1652 C CB   . SER A 1 109 ? -2.324  10.614 11.811  1.000 35.860  ? 115 SER HHH CB   1 
ATOM   1653 O OG   . SER A 1 109 ? -1.259  9.742  12.118  1.000 37.539  ? 115 SER HHH OG   1 
ATOM   1654 H H    . SER A 1 109 ? -0.119  11.794 12.688  1.000 34.370  ? 115 SER HHH H    1 
ATOM   1655 H HA   . SER A 1 109 ? -2.701  12.609 12.088  1.000 35.445  ? 115 SER HHH HA   1 
ATOM   1656 H HB2  . SER A 1 109 ? -3.177  10.207 12.086  1.000 37.007  ? 115 SER HHH HB2  1 
ATOM   1657 H HB3  . SER A 1 109 ? -2.354  10.773 10.840  1.000 36.941  ? 115 SER HHH HB3  1 
ATOM   1658 H HG   . SER A 1 109 ? -1.388  9.024  11.710  0.000 30.000  ? 115 SER HHH HG   1 
ATOM   1659 N N    . TYR A 1 110 ? -1.682  11.684 14.984  1.000 34.843  ? 116 TYR HHH N    1 
ATOM   1660 C CA   . TYR A 1 110 ? -2.014  11.612 16.432  1.000 35.199  ? 116 TYR HHH CA   1 
ATOM   1661 C C    . TYR A 1 110 ? -1.173  12.662 17.138  1.000 33.860  ? 116 TYR HHH C    1 
ATOM   1662 O O    . TYR A 1 110 ? 0.051   12.716 16.868  1.000 31.713  ? 116 TYR HHH O    1 
ATOM   1663 C CB   . TYR A 1 110 ? -1.692  10.247 17.035  1.000 37.897  ? 116 TYR HHH CB   1 
ATOM   1664 C CG   . TYR A 1 110 ? -2.564  9.140  16.536  1.000 47.025  ? 116 TYR HHH CG   1 
ATOM   1665 C CD1  . TYR A 1 110 ? -2.306  8.545  15.308  1.000 52.743  ? 116 TYR HHH CD1  1 
ATOM   1666 C CD2  . TYR A 1 110 ? -3.666  8.697  17.263  1.000 49.952  ? 116 TYR HHH CD2  1 
ATOM   1667 C CE1  . TYR A 1 110 ? -3.105  7.523  14.814  1.000 55.658  ? 116 TYR HHH CE1  1 
ATOM   1668 C CE2  . TYR A 1 110 ? -4.464  7.667  16.789  1.000 54.325  ? 116 TYR HHH CE2  1 
ATOM   1669 C CZ   . TYR A 1 110 ? -4.176  7.074  15.569  1.000 53.576  ? 116 TYR HHH CZ   1 
ATOM   1670 O OH   . TYR A 1 110 ? -4.944  6.061  15.077  1.000 71.241  ? 116 TYR HHH OH   1 
ATOM   1671 H H    . TYR A 1 110 ? -0.793  11.571 14.827  1.000 34.394  ? 116 TYR HHH H    1 
ATOM   1672 H HA   . TYR A 1 110 ? -2.973  11.815 16.564  1.000 35.954  ? 116 TYR HHH HA   1 
ATOM   1673 H HB2  . TYR A 1 110 ? -0.757  10.031 16.834  1.000 38.589  ? 116 TYR HHH HB2  1 
ATOM   1674 H HB3  . TYR A 1 110 ? -1.782  10.308 18.009  1.000 38.848  ? 116 TYR HHH HB3  1 
ATOM   1675 H HD1  . TYR A 1 110 ? -1.570  8.840  14.799  1.000 51.219  ? 116 TYR HHH HD1  1 
ATOM   1676 H HD2  . TYR A 1 110 ? -3.858  9.085  18.101  1.000 50.099  ? 116 TYR HHH HD2  1 
ATOM   1677 H HE1  . TYR A 1 110 ? -2.904  7.118  13.987  1.000 54.713  ? 116 TYR HHH HE1  1 
ATOM   1678 H HE2  . TYR A 1 110 ? -5.198  7.364  17.298  1.000 54.098  ? 116 TYR HHH HE2  1 
ATOM   1679 H HH   . TYR A 1 110 ? -4.478  5.340  15.017  0.000 30.000  ? 116 TYR HHH HH   1 
ATOM   1680 N N    . TRP A 1 111 ? -1.807  13.469 17.980  1.000 31.604  ? 117 TRP HHH N    1 
ATOM   1681 C CA   . TRP A 1 111 ? -1.172  14.609 18.679  1.000 31.386  ? 117 TRP HHH CA   1 
ATOM   1682 C C    . TRP A 1 111 ? -1.256  14.353 20.186  1.000 31.764  ? 117 TRP HHH C    1 
ATOM   1683 O O    . TRP A 1 111 ? -2.330  13.929 20.658  1.000 28.141  ? 117 TRP HHH O    1 
ATOM   1684 C CB   . TRP A 1 111 ? -1.862  15.928 18.323  1.000 32.262  ? 117 TRP HHH CB   1 
ATOM   1685 C CG   . TRP A 1 111 ? -1.766  16.273 16.879  1.000 33.130  ? 117 TRP HHH CG   1 
ATOM   1686 C CD1  . TRP A 1 111 ? -2.394  15.659 15.834  1.000 34.316  ? 117 TRP HHH CD1  1 
ATOM   1687 C CD2  . TRP A 1 111 ? -0.945  17.296 16.307  1.000 32.824  ? 117 TRP HHH CD2  1 
ATOM   1688 N NE1  . TRP A 1 111 ? -2.045  16.248 14.650  1.000 33.289  ? 117 TRP HHH NE1  1 
ATOM   1689 C CE2  . TRP A 1 111 ? -1.171  17.272 14.911  1.000 34.906  ? 117 TRP HHH CE2  1 
ATOM   1690 C CE3  . TRP A 1 111 ? -0.065  18.235 16.846  1.000 33.661  ? 117 TRP HHH CE3  1 
ATOM   1691 C CZ2  . TRP A 1 111 ? -0.494  18.126 14.033  1.000 36.337  ? 117 TRP HHH CZ2  1 
ATOM   1692 C CZ3  . TRP A 1 111 ? 0.557   19.123 15.996  1.000 37.439  ? 117 TRP HHH CZ3  1 
ATOM   1693 C CH2  . TRP A 1 111 ? 0.339   19.070 14.598  1.000 39.502  ? 117 TRP HHH CH2  1 
ATOM   1694 H H    . TRP A 1 111 ? -2.689  13.370 18.188  1.000 32.740  ? 117 TRP HHH H    1 
ATOM   1695 H HA   . TRP A 1 111 ? -0.226  14.663 18.406  1.000 31.127  ? 117 TRP HHH HA   1 
ATOM   1696 H HB2  . TRP A 1 111 ? -2.805  15.863 18.577  1.000 32.633  ? 117 TRP HHH HB2  1 
ATOM   1697 H HB3  . TRP A 1 111 ? -1.455  16.644 18.853  1.000 31.712  ? 117 TRP HHH HB3  1 
ATOM   1698 H HD1  . TRP A 1 111 ? -3.003  14.941 15.913  1.000 34.748  ? 117 TRP HHH HD1  1 
ATOM   1699 H HE1  . TRP A 1 111 ? -2.341  16.016 13.857  1.000 34.990  ? 117 TRP HHH HE1  1 
ATOM   1700 H HE3  . TRP A 1 111 ? 0.072   18.284 17.778  1.000 33.758  ? 117 TRP HHH HE3  1 
ATOM   1701 H HZ2  . TRP A 1 111 ? -0.657  18.103 13.106  1.000 37.220  ? 117 TRP HHH HZ2  1 
ATOM   1702 H HZ3  . TRP A 1 111 ? 1.154   19.763 16.347  1.000 36.092  ? 117 TRP HHH HZ3  1 
ATOM   1703 H HH2  . TRP A 1 111 ? 0.794   19.673 14.038  1.000 37.902  ? 117 TRP HHH HH2  1 
ATOM   1704 N N    . GLY A 1 112 ? -0.181  14.669 20.898  1.000 30.292  ? 118 GLY HHH N    1 
ATOM   1705 C CA   . GLY A 1 112 ? -0.222  14.917 22.345  1.000 31.215  ? 118 GLY HHH CA   1 
ATOM   1706 C C    . GLY A 1 112 ? -1.067  16.144 22.625  1.000 30.783  ? 118 GLY HHH C    1 
ATOM   1707 O O    . GLY A 1 112 ? -1.390  16.894 21.680  1.000 32.407  ? 118 GLY HHH O    1 
ATOM   1708 H H    . GLY A 1 112 ? 0.647   14.747 20.525  1.000 30.393  ? 118 GLY HHH H    1 
ATOM   1709 H HA2  . GLY A 1 112 ? -0.611  14.131 22.802  1.000 31.434  ? 118 GLY HHH HA2  1 
ATOM   1710 H HA3  . GLY A 1 112 ? 0.699   15.059 22.681  1.000 30.597  ? 118 GLY HHH HA3  1 
ATOM   1711 N N    . GLN A 1 113 ? -1.387  16.331 23.888  1.000 33.942  ? 119 GLN HHH N    1 
ATOM   1712 C CA   . GLN A 1 113 ? -2.180  17.452 24.463  1.000 36.749  ? 119 GLN HHH CA   1 
ATOM   1713 C C    . GLN A 1 113 ? -1.307  18.726 24.493  1.000 35.832  ? 119 GLN HHH C    1 
ATOM   1714 O O    . GLN A 1 113 ? -1.836  19.820 24.623  1.000 36.783  ? 119 GLN HHH O    1 
ATOM   1715 C CB   . GLN A 1 113 ? -2.708  16.961 25.813  1.000 38.850  ? 119 GLN HHH CB   1 
ATOM   1716 C CG   . GLN A 1 113 ? -1.690  16.970 26.990  1.000 49.548  ? 119 GLN HHH CG   1 
ATOM   1717 C CD   . GLN A 1 113 ? -0.724  15.796 27.202  1.000 52.607  ? 119 GLN HHH CD   1 
ATOM   1718 O OE1  . GLN A 1 113 ? -0.372  15.028 26.286  1.000 50.490  ? 119 GLN HHH OE1  1 
ATOM   1719 N NE2  . GLN A 1 113 ? -0.226  15.676 28.429  1.000 49.376  ? 119 GLN HHH NE2  1 
ATOM   1720 H H    . GLN A 1 113 ? -1.116  15.740 24.524  1.000 34.160  ? 119 GLN HHH H    1 
ATOM   1721 H HA   . GLN A 1 113 ? -2.949  17.618 23.869  1.000 36.587  ? 119 GLN HHH HA   1 
ATOM   1722 H HB2  . GLN A 1 113 ? -3.473  17.522 26.060  1.000 40.991  ? 119 GLN HHH HB2  1 
ATOM   1723 H HB3  . GLN A 1 113 ? -3.042  16.047 25.695  1.000 41.247  ? 119 GLN HHH HB3  1 
ATOM   1724 H HG2  . GLN A 1 113 ? -1.146  17.781 26.904  1.000 46.792  ? 119 GLN HHH HG2  1 
ATOM   1725 H HG3  . GLN A 1 113 ? -2.205  17.073 27.818  1.000 47.862  ? 119 GLN HHH HG3  1 
ATOM   1726 H HE21 . GLN A 1 113 ? 0.372   15.085 28.639  0.000 30.000  ? 119 GLN HHH HE21 1 
ATOM   1727 H HE22 . GLN A 1 113 ? -0.439  16.311 29.065  0.000 30.000  ? 119 GLN HHH HE22 1 
ATOM   1728 N N    . GLY A 1 114 ? 0.019   18.631 24.334  1.000 35.110  ? 120 GLY HHH N    1 
ATOM   1729 C CA   . GLY A 1 114 ? 0.857   19.835 24.385  1.000 32.462  ? 120 GLY HHH CA   1 
ATOM   1730 C C    . GLY A 1 114 ? 1.304   20.154 25.802  1.000 31.888  ? 120 GLY HHH C    1 
ATOM   1731 O O    . GLY A 1 114 ? 0.604   19.817 26.763  1.000 28.582  ? 120 GLY HHH O    1 
ATOM   1732 H H    . GLY A 1 114 ? 0.460   17.846 24.205  1.000 34.662  ? 120 GLY HHH H    1 
ATOM   1733 H HA2  . GLY A 1 114 ? 1.650   19.694 23.815  1.000 32.594  ? 120 GLY HHH HA2  1 
ATOM   1734 H HA3  . GLY A 1 114 ? 0.351   20.603 24.019  1.000 32.734  ? 120 GLY HHH HA3  1 
ATOM   1735 N N    . ALA A 1 115 ? 2.491   20.737 25.923  1.000 31.503  ? 121 ALA HHH N    1 
ATOM   1736 C CA   . ALA A 1 115 ? 3.080   21.206 27.198  1.000 30.367  ? 121 ALA HHH CA   1 
ATOM   1737 C C    . ALA A 1 115 ? 3.243   22.706 27.045  1.000 31.066  ? 121 ALA HHH C    1 
ATOM   1738 O O    . ALA A 1 115 ? 3.904   23.157 26.027  1.000 28.150  ? 121 ALA HHH O    1 
ATOM   1739 C CB   . ALA A 1 115 ? 4.395   20.520 27.470  1.000 32.095  ? 121 ALA HHH CB   1 
ATOM   1740 H H    . ALA A 1 115 ? 3.041   20.893 25.213  1.000 31.006  ? 121 ALA HHH H    1 
ATOM   1741 H HA   . ALA A 1 115 ? 2.454   21.020 27.935  1.000 31.398  ? 121 ALA HHH HA   1 
ATOM   1742 H HB1  . ALA A 1 115 ? 4.757   20.834 28.315  1.000 32.019  ? 121 ALA HHH HB1  1 
ATOM   1743 H HB2  . ALA A 1 115 ? 4.257   19.559 27.515  1.000 31.726  ? 121 ALA HHH HB2  1 
ATOM   1744 H HB3  . ALA A 1 115 ? 5.022   20.723 26.755  1.000 31.410  ? 121 ALA HHH HB3  1 
ATOM   1745 N N    . LEU A 1 116 ? 2.565   23.464 27.910  1.000 29.997  ? 122 LEU HHH N    1 
ATOM   1746 C CA   . LEU A 1 116 ? 2.676   24.935 27.846  1.000 31.239  ? 122 LEU HHH CA   1 
ATOM   1747 C C    . LEU A 1 116 ? 4.027   25.334 28.447  1.000 30.086  ? 122 LEU HHH C    1 
ATOM   1748 O O    . LEU A 1 116 ? 4.266   25.046 29.612  1.000 31.784  ? 122 LEU HHH O    1 
ATOM   1749 C CB   . LEU A 1 116 ? 1.528   25.614 28.577  1.000 32.282  ? 122 LEU HHH CB   1 
ATOM   1750 C CG   . LEU A 1 116 ? 1.567   27.140 28.429  1.000 35.102  ? 122 LEU HHH CG   1 
ATOM   1751 C CD1  . LEU A 1 116 ? 1.465   27.562 26.958  1.000 34.253  ? 122 LEU HHH CD1  1 
ATOM   1752 C CD2  . LEU A 1 116 ? 0.482   27.793 29.277  1.000 34.464  ? 122 LEU HHH CD2  1 
ATOM   1753 H H    . LEU A 1 116 ? 2.020   23.137 28.563  1.000 30.837  ? 122 LEU HHH H    1 
ATOM   1754 H HA   . LEU A 1 116 ? 2.661   25.203 26.899  1.000 30.566  ? 122 LEU HHH HA   1 
ATOM   1755 H HB2  . LEU A 1 116 ? 0.681   25.279 28.221  1.000 32.531  ? 122 LEU HHH HB2  1 
ATOM   1756 H HB3  . LEU A 1 116 ? 1.573   25.382 29.526  1.000 33.088  ? 122 LEU HHH HB3  1 
ATOM   1757 H HG   . LEU A 1 116 ? 2.440   27.455 28.770  1.000 34.570  ? 122 LEU HHH HG   1 
ATOM   1758 H HD11 . LEU A 1 116 ? 2.346   27.522 26.547  1.000 34.374  ? 122 LEU HHH HD11 1 
ATOM   1759 H HD12 . LEU A 1 116 ? 1.123   28.471 26.902  1.000 34.531  ? 122 LEU HHH HD12 1 
ATOM   1760 H HD13 . LEU A 1 116 ? 0.862   26.960 26.488  1.000 34.146  ? 122 LEU HHH HD13 1 
ATOM   1761 H HD21 . LEU A 1 116 ? -0.393  27.501 28.966  1.000 34.590  ? 122 LEU HHH HD21 1 
ATOM   1762 H HD22 . LEU A 1 116 ? 0.546   28.761 29.199  1.000 34.883  ? 122 LEU HHH HD22 1 
ATOM   1763 H HD23 . LEU A 1 116 ? 0.597   27.535 30.208  1.000 35.132  ? 122 LEU HHH HD23 1 
ATOM   1764 N N    . VAL A 1 117 ? 4.893   25.931 27.639  1.000 28.465  ? 123 VAL HHH N    1 
ATOM   1765 C CA   . VAL A 1 117 ? 6.146   26.502 28.156  1.000 29.876  ? 123 VAL HHH CA   1 
ATOM   1766 C C    . VAL A 1 117 ? 6.025   28.020 28.122  1.000 31.538  ? 123 VAL HHH C    1 
ATOM   1767 O O    . VAL A 1 117 ? 5.842   28.606 27.029  1.000 29.074  ? 123 VAL HHH O    1 
ATOM   1768 C CB   . VAL A 1 117 ? 7.359   26.012 27.384  1.000 32.036  ? 123 VAL HHH CB   1 
ATOM   1769 C CG1  . VAL A 1 117 ? 8.620   26.647 28.003  1.000 33.107  ? 123 VAL HHH CG1  1 
ATOM   1770 C CG2  . VAL A 1 117 ? 7.436   24.477 27.415  1.000 31.504  ? 123 VAL HHH CG2  1 
ATOM   1771 H H    . VAL A 1 117 ? 4.773   26.022 26.740  1.000 28.727  ? 123 VAL HHH H    1 
ATOM   1772 H HA   . VAL A 1 117 ? 6.247   26.225 29.082  1.000 30.737  ? 123 VAL HHH HA   1 
ATOM   1773 H HB   . VAL A 1 117 ? 7.277   26.312 26.446  1.000 31.370  ? 123 VAL HHH HB   1 
ATOM   1774 H HG11 . VAL A 1 117 ? 8.757   27.534 27.626  1.000 33.307  ? 123 VAL HHH HG11 1 
ATOM   1775 H HG12 . VAL A 1 117 ? 9.393   26.091 27.808  1.000 33.238  ? 123 VAL HHH HG12 1 
ATOM   1776 H HG13 . VAL A 1 117 ? 8.509   26.719 28.967  1.000 33.430  ? 123 VAL HHH HG13 1 
ATOM   1777 H HG21 . VAL A 1 117 ? 7.368   24.167 28.335  1.000 31.862  ? 123 VAL HHH HG21 1 
ATOM   1778 H HG22 . VAL A 1 117 ? 8.283   24.185 27.037  1.000 31.724  ? 123 VAL HHH HG22 1 
ATOM   1779 H HG23 . VAL A 1 117 ? 6.704   24.104 26.894  1.000 31.067  ? 123 VAL HHH HG23 1 
ATOM   1780 N N    . THR A 1 118 ? 6.122   28.629 29.299  1.000 32.225  ? 124 THR HHH N    1 
ATOM   1781 C CA   . THR A 1 118 ? 6.058   30.100 29.434  1.000 31.656  ? 124 THR HHH CA   1 
ATOM   1782 C C    . THR A 1 118 ? 7.448   30.615 29.780  1.000 32.020  ? 124 THR HHH C    1 
ATOM   1783 O O    . THR A 1 118 ? 7.996   30.201 30.824  1.000 32.068  ? 124 THR HHH O    1 
ATOM   1784 C CB   . THR A 1 118 ? 5.026   30.540 30.475  1.000 32.880  ? 124 THR HHH CB   1 
ATOM   1785 O OG1  . THR A 1 118 ? 3.768   29.929 30.172  1.000 30.658  ? 124 THR HHH OG1  1 
ATOM   1786 C CG2  . THR A 1 118 ? 4.891   32.055 30.490  1.000 33.540  ? 124 THR HHH CG2  1 
ATOM   1787 H H    . THR A 1 118 ? 6.232   28.199 30.095  1.000 32.233  ? 124 THR HHH H    1 
ATOM   1788 H HA   . THR A 1 118 ? 5.795   30.475 28.563  1.000 31.633  ? 124 THR HHH HA   1 
ATOM   1789 H HB   . THR A 1 118 ? 5.327   30.235 31.363  1.000 32.896  ? 124 THR HHH HB   1 
ATOM   1790 H HG1  . THR A 1 118 ? 3.193   30.182 30.756  0.000 30.000  ? 124 THR HHH HG1  1 
ATOM   1791 H HG21 . THR A 1 118 ? 5.664   32.448 30.933  1.000 34.228  ? 124 THR HHH HG21 1 
ATOM   1792 H HG22 . THR A 1 118 ? 4.083   32.306 30.971  1.000 33.498  ? 124 THR HHH HG22 1 
ATOM   1793 H HG23 . THR A 1 118 ? 4.839   32.387 29.575  1.000 33.249  ? 124 THR HHH HG23 1 
ATOM   1794 N N    . VAL A 1 119 ? 8.002   31.468 28.918  1.000 33.268  ? 125 VAL HHH N    1 
ATOM   1795 C CA   . VAL A 1 119 ? 9.367   32.020 29.093  1.000 33.939  ? 125 VAL HHH CA   1 
ATOM   1796 C C    . VAL A 1 119 ? 9.210   33.455 29.542  1.000 33.440  ? 125 VAL HHH C    1 
ATOM   1797 O O    . VAL A 1 119 ? 8.694   34.256 28.786  1.000 31.705  ? 125 VAL HHH O    1 
ATOM   1798 C CB   . VAL A 1 119 ? 10.229  31.919 27.835  1.000 35.780  ? 125 VAL HHH CB   1 
ATOM   1799 C CG1  . VAL A 1 119 ? 11.617  32.491 28.085  1.000 37.426  ? 125 VAL HHH CG1  1 
ATOM   1800 C CG2  . VAL A 1 119 ? 10.301  30.484 27.346  1.000 36.545  ? 125 VAL HHH CG2  1 
ATOM   1801 H H    . VAL A 1 119 ? 7.578   31.766 28.168  1.000 32.579  ? 125 VAL HHH H    1 
ATOM   1802 H HA   . VAL A 1 119 ? 9.806   31.523 29.801  1.000 34.417  ? 125 VAL HHH HA   1 
ATOM   1803 H HB   . VAL A 1 119 ? 9.798   32.461 27.130  1.000 35.597  ? 125 VAL HHH HB   1 
ATOM   1804 H HG11 . VAL A 1 119 ? 11.585  33.462 28.029  1.000 37.987  ? 125 VAL HHH HG11 1 
ATOM   1805 H HG12 . VAL A 1 119 ? 12.236  32.149 27.417  1.000 37.501  ? 125 VAL HHH HG12 1 
ATOM   1806 H HG13 . VAL A 1 119 ? 11.922  32.229 28.972  1.000 37.777  ? 125 VAL HHH HG13 1 
ATOM   1807 H HG21 . VAL A 1 119 ? 10.694  29.924 28.037  1.000 36.223  ? 125 VAL HHH HG21 1 
ATOM   1808 H HG22 . VAL A 1 119 ? 10.850  30.441 26.544  1.000 36.183  ? 125 VAL HHH HG22 1 
ATOM   1809 H HG23 . VAL A 1 119 ? 9.405   30.165 27.141  1.000 35.189  ? 125 VAL HHH HG23 1 
ATOM   1810 N N    . SER A 1 120 ? 9.669   33.750 30.744  1.000 34.609  ? 126 SER HHH N    1 
ATOM   1811 C CA   . SER A 1 120 ? 9.357   35.040 31.388  1.000 36.524  ? 126 SER HHH CA   1 
ATOM   1812 C C    . SER A 1 120 ? 10.315  35.289 32.536  1.000 38.533  ? 126 SER HHH C    1 
ATOM   1813 O O    . SER A 1 120 ? 10.756  34.332 33.167  1.000 37.732  ? 126 SER HHH O    1 
ATOM   1814 C CB   . SER A 1 120 ? 7.903   35.098 31.845  1.000 36.591  ? 126 SER HHH CB   1 
ATOM   1815 O OG   . SER A 1 120 ? 7.611   36.356 32.460  1.000 36.319  ? 126 SER HHH OG   1 
ATOM   1816 H H    . SER A 1 120 ? 10.193  33.206 31.253  1.000 35.160  ? 126 SER HHH H    1 
ATOM   1817 H HA   . SER A 1 120 ? 9.497   35.756 30.713  1.000 36.856  ? 126 SER HHH HA   1 
ATOM   1818 H HB2  . SER A 1 120 ? 7.310   34.964 31.071  1.000 35.236  ? 126 SER HHH HB2  1 
ATOM   1819 H HB3  . SER A 1 120 ? 7.740   34.376 32.485  1.000 35.899  ? 126 SER HHH HB3  1 
ATOM   1820 H HG   . SER A 1 120 ? 6.794   36.327 32.707  0.000 30.000  ? 126 SER HHH HG   1 
ATOM   1821 N N    . SER A 1 121 ? 10.574  36.563 32.799  1.000 39.731  ? 127 SER HHH N    1 
ATOM   1822 C CA   . SER A 1 121 ? 11.336  37.040 33.978  1.000 41.621  ? 127 SER HHH CA   1 
ATOM   1823 C C    . SER A 1 121 ? 10.358  37.187 35.145  1.000 40.448  ? 127 SER HHH C    1 
ATOM   1824 O O    . SER A 1 121 ? 10.808  37.074 36.306  1.000 41.548  ? 127 SER HHH O    1 
ATOM   1825 C CB   . SER A 1 121 ? 12.018  38.357 33.660  1.000 42.143  ? 127 SER HHH CB   1 
ATOM   1826 O OG   . SER A 1 121 ? 12.778  38.236 32.472  1.000 41.236  ? 127 SER HHH OG   1 
ATOM   1827 H H    . SER A 1 121 ? 10.295  37.249 32.267  1.000 39.731  ? 127 SER HHH H    1 
ATOM   1828 H HA   . SER A 1 121 ? 12.025  36.362 34.213  1.000 41.530  ? 127 SER HHH HA   1 
ATOM   1829 H HB2  . SER A 1 121 ? 11.339  39.061 33.549  1.000 41.967  ? 127 SER HHH HB2  1 
ATOM   1830 H HB3  . SER A 1 121 ? 12.607  38.611 34.406  1.000 43.481  ? 127 SER HHH HB3  1 
ATOM   1831 H HG   . SER A 1 121 ? 13.155  38.986 32.334  0.000 30.000  ? 127 SER HHH HG   1 
ATOM   1832 N N    . ALA A 1 122 ? 8.856   36.948 35.010  1.000 42.212  ? 129 ALA HHH N    1 
ATOM   1833 C CA   . ALA A 1 122 ? 7.917   36.990 36.152  1.000 42.283  ? 129 ALA HHH CA   1 
ATOM   1834 C C    . ALA A 1 122 ? 8.082   35.709 36.982  1.000 44.351  ? 129 ALA HHH C    1 
ATOM   1835 O O    . ALA A 1 122 ? 8.557   34.685 36.441  1.000 43.124  ? 129 ALA HHH O    1 
ATOM   1836 C CB   . ALA A 1 122 ? 6.520   37.095 35.616  1.000 40.207  ? 129 ALA HHH CB   1 
ATOM   1837 H H    . ALA A 1 122 ? 8.396   36.722 34.250  1.000 41.112  ? 129 ALA HHH H    1 
ATOM   1838 H HA   . ALA A 1 122 ? 8.117   37.775 36.716  1.000 43.638  ? 129 ALA HHH HA   1 
ATOM   1839 H HB1  . ALA A 1 122 ? 5.898   37.229 36.351  1.000 40.630  ? 129 ALA HHH HB1  1 
ATOM   1840 H HB2  . ALA A 1 122 ? 6.462   37.848 35.003  1.000 40.417  ? 129 ALA HHH HB2  1 
ATOM   1841 H HB3  . ALA A 1 122 ? 6.289   36.277 35.144  1.000 39.446  ? 129 ALA HHH HB3  1 
ATOM   1842 N N    . SER A 1 123 ? 7.641   35.742 38.231  1.000 46.648  ? 130 SER HHH N    1 
ATOM   1843 C CA   . SER A 1 123 ? 7.577   34.536 39.090  1.000 50.545  ? 130 SER HHH CA   1 
ATOM   1844 C C    . SER A 1 123 ? 6.122   34.085 39.247  1.000 49.364  ? 130 SER HHH C    1 
ATOM   1845 O O    . SER A 1 123 ? 5.198   34.910 39.051  1.000 45.515  ? 130 SER HHH O    1 
ATOM   1846 C CB   . SER A 1 123 ? 8.266   34.798 40.392  1.000 56.550  ? 130 SER HHH CB   1 
ATOM   1847 O OG   . SER A 1 123 ? 9.661   34.673 40.173  1.000 61.528  ? 130 SER HHH OG   1 
ATOM   1848 H H    . SER A 1 123 ? 7.345   36.494 38.650  1.000 47.720  ? 130 SER HHH H    1 
ATOM   1849 H HA   . SER A 1 123 ? 8.069   33.807 38.626  1.000 50.037  ? 130 SER HHH HA   1 
ATOM   1850 H HB2  . SER A 1 123 ? 8.054   35.704 40.712  1.000 57.099  ? 130 SER HHH HB2  1 
ATOM   1851 H HB3  . SER A 1 123 ? 7.971   34.146 41.067  1.000 56.750  ? 130 SER HHH HB3  1 
ATOM   1852 H HG   . SER A 1 123 ? 10.099  34.749 40.831  0.000 30.000  ? 130 SER HHH HG   1 
ATOM   1853 N N    . THR A 1 124 ? 5.948   32.786 39.494  1.000 50.750  ? 131 THR HHH N    1 
ATOM   1854 C CA   . THR A 1 124 ? 4.637   32.124 39.698  1.000 49.393  ? 131 THR HHH CA   1 
ATOM   1855 C C    . THR A 1 124 ? 3.912   32.878 40.806  1.000 49.658  ? 131 THR HHH C    1 
ATOM   1856 O O    . THR A 1 124 ? 4.553   33.300 41.742  1.000 50.954  ? 131 THR HHH O    1 
ATOM   1857 C CB   . THR A 1 124 ? 4.825   30.626 39.951  1.000 49.775  ? 131 THR HHH CB   1 
ATOM   1858 O OG1  . THR A 1 124 ? 5.359   30.087 38.745  1.000 45.763  ? 131 THR HHH OG1  1 
ATOM   1859 C CG2  . THR A 1 124 ? 3.521   29.952 40.318  1.000 50.906  ? 131 THR HHH CG2  1 
ATOM   1860 H H    . THR A 1 124 ? 6.643   32.201 39.556  1.000 50.473  ? 131 THR HHH H    1 
ATOM   1861 H HA   . THR A 1 124 ? 4.122   32.230 38.868  1.000 48.293  ? 131 THR HHH HA   1 
ATOM   1862 H HB   . THR A 1 124 ? 5.475   30.505 40.684  1.000 50.554  ? 131 THR HHH HB   1 
ATOM   1863 H HG1  . THR A 1 124 ? 5.503   29.278 38.833  0.000 30.000  ? 131 THR HHH HG1  1 
ATOM   1864 H HG21 . THR A 1 124 ? 3.349   30.070 41.269  1.000 51.578  ? 131 THR HHH HG21 1 
ATOM   1865 H HG22 . THR A 1 124 ? 3.579   29.001 40.116  1.000 50.187  ? 131 THR HHH HG22 1 
ATOM   1866 H HG23 . THR A 1 124 ? 2.793   30.348 39.806  1.000 49.690  ? 131 THR HHH HG23 1 
ATOM   1867 N N    . LYS A 1 125 ? 2.638   33.174 40.622  1.000 49.147  ? 132 LYS HHH N    1 
ATOM   1868 C CA   . LYS A 1 125 ? 1.941   34.198 41.432  1.000 48.110  ? 132 LYS HHH CA   1 
ATOM   1869 C C    . LYS A 1 125 ? 0.426   34.085 41.191  1.000 47.165  ? 132 LYS HHH C    1 
ATOM   1870 O O    . LYS A 1 125 ? -0.006  34.182 40.035  1.000 43.227  ? 132 LYS HHH O    1 
ATOM   1871 C CB   . LYS A 1 125 ? 2.465   35.578 41.043  1.000 49.718  ? 132 LYS HHH CB   1 
ATOM   1872 C CG   . LYS A 1 125 ? 1.616   36.735 41.553  1.000 53.374  ? 132 LYS HHH CG   1 
ATOM   1873 C CD   . LYS A 1 125 ? 2.401   37.974 41.795  1.000 57.945  ? 132 LYS HHH CD   1 
ATOM   1874 C CE   . LYS A 1 125 ? 1.727   38.926 42.745  1.000 63.298  ? 132 LYS HHH CE   1 
ATOM   1875 N NZ   . LYS A 1 125 ? 0.392   39.298 42.217  1.000 68.435  ? 132 LYS HHH NZ   1 
ATOM   1876 H H    . LYS A 1 125 ? 2.119   32.770 39.991  1.000 47.646  ? 132 LYS HHH H    1 
ATOM   1877 H HA   . LYS A 1 125 ? 2.131   34.034 42.385  1.000 49.894  ? 132 LYS HHH HA   1 
ATOM   1878 H HB2  . LYS A 1 125 ? 3.375   35.676 41.392  1.000 50.962  ? 132 LYS HHH HB2  1 
ATOM   1879 H HB3  . LYS A 1 125 ? 2.510   35.630 40.065  1.000 49.048  ? 132 LYS HHH HB3  1 
ATOM   1880 H HG2  . LYS A 1 125 ? 0.912   36.925 40.897  1.000 52.446  ? 132 LYS HHH HG2  1 
ATOM   1881 H HG3  . LYS A 1 125 ? 1.182   36.465 42.391  1.000 54.094  ? 132 LYS HHH HG3  1 
ATOM   1882 H HD2  . LYS A 1 125 ? 3.278   37.732 42.162  1.000 58.799  ? 132 LYS HHH HD2  1 
ATOM   1883 H HD3  . LYS A 1 125 ? 2.548   38.430 40.939  1.000 57.392  ? 132 LYS HHH HD3  1 
ATOM   1884 H HE2  . LYS A 1 125 ? 1.623   38.507 43.620  1.000 64.473  ? 132 LYS HHH HE2  1 
ATOM   1885 H HE3  . LYS A 1 125 ? 2.269   39.731 42.851  1.000 64.429  ? 132 LYS HHH HE3  1 
ATOM   1886 H HZ1  . LYS A 1 125 ? 0.426   39.379 41.314  1.000 65.452  ? 132 LYS HHH HZ1  1 
ATOM   1887 H HZ2  . LYS A 1 125 ? 0.131   40.090 42.574  1.000 67.072  ? 132 LYS HHH HZ2  1 
ATOM   1888 H HZ3  . LYS A 1 125 ? -0.215  38.661 42.437  1.000 66.150  ? 132 LYS HHH HZ3  1 
ATOM   1889 N N    . GLY A 1 126 ? -0.348  33.853 42.245  1.000 46.513  ? 133 GLY HHH N    1 
ATOM   1890 C CA   . GLY A 1 126 ? -1.805  33.712 42.143  1.000 47.005  ? 133 GLY HHH CA   1 
ATOM   1891 C C    . GLY A 1 126 ? -2.446  35.083 41.978  1.000 46.161  ? 133 GLY HHH C    1 
ATOM   1892 O O    . GLY A 1 126 ? -1.861  36.093 42.341  1.000 45.436  ? 133 GLY HHH O    1 
ATOM   1893 H H    . GLY A 1 126 ? -0.016  33.768 43.089  1.000 48.242  ? 133 GLY HHH H    1 
ATOM   1894 H HA2  . GLY A 1 126 ? -2.025  33.142 41.366  1.000 45.597  ? 133 GLY HHH HA2  1 
ATOM   1895 H HA3  . GLY A 1 126 ? -2.151  33.278 42.963  1.000 47.525  ? 133 GLY HHH HA3  1 
ATOM   1896 N N    . PRO A 1 127 ? -3.699  35.144 41.491  1.000 47.059  ? 134 PRO HHH N    1 
ATOM   1897 C CA   . PRO A 1 127 ? -4.350  36.422 41.196  1.000 45.568  ? 134 PRO HHH CA   1 
ATOM   1898 C C    . PRO A 1 127 ? -4.991  37.110 42.405  1.000 47.023  ? 134 PRO HHH C    1 
ATOM   1899 O O    . PRO A 1 127 ? -5.251  36.467 43.398  1.000 45.713  ? 134 PRO HHH O    1 
ATOM   1900 C CB   . PRO A 1 127 ? -5.499  35.997 40.280  1.000 44.838  ? 134 PRO HHH CB   1 
ATOM   1901 C CG   . PRO A 1 127 ? -5.880  34.628 40.837  1.000 46.529  ? 134 PRO HHH CG   1 
ATOM   1902 C CD   . PRO A 1 127 ? -4.565  33.982 41.234  1.000 46.625  ? 134 PRO HHH CD   1 
ATOM   1903 H HA   . PRO A 1 127 ? -3.731  37.029 40.719  1.000 45.561  ? 134 PRO HHH HA   1 
ATOM   1904 H HB2  . PRO A 1 127 ? -6.251  36.625 40.338  1.000 45.248  ? 134 PRO HHH HB2  1 
ATOM   1905 H HB3  . PRO A 1 127 ? -5.206  35.931 39.348  1.000 44.115  ? 134 PRO HHH HB3  1 
ATOM   1906 H HG2  . PRO A 1 127 ? -6.469  34.720 41.614  1.000 47.089  ? 134 PRO HHH HG2  1 
ATOM   1907 H HG3  . PRO A 1 127 ? -6.337  34.092 40.157  1.000 45.479  ? 134 PRO HHH HG3  1 
ATOM   1908 H HD2  . PRO A 1 127 ? -4.667  33.435 42.035  1.000 47.553  ? 134 PRO HHH HD2  1 
ATOM   1909 H HD3  . PRO A 1 127 ? -4.210  33.431 40.513  1.000 45.826  ? 134 PRO HHH HD3  1 
ATOM   1910 N N    . SER A 1 128 ? -5.206  38.416 42.261  1.000 46.400  ? 135 SER HHH N    1 
ATOM   1911 C CA   . SER A 1 128 ? -6.195  39.223 42.994  1.000 47.700  ? 135 SER HHH CA   1 
ATOM   1912 C C    . SER A 1 128 ? -7.486  39.106 42.202  1.000 46.356  ? 135 SER HHH C    1 
ATOM   1913 O O    . SER A 1 128 ? -7.444  39.212 40.940  1.000 45.435  ? 135 SER HHH O    1 
ATOM   1914 C CB   . SER A 1 128 ? -5.763  40.650 43.125  1.000 48.694  ? 135 SER HHH CB   1 
ATOM   1915 O OG   . SER A 1 128 ? -4.568  40.703 43.865  1.000 51.486  ? 135 SER HHH OG   1 
ATOM   1916 H H    . SER A 1 128 ? -4.733  38.922 41.669  1.000 46.189  ? 135 SER HHH H    1 
ATOM   1917 H HA   . SER A 1 128 ? -6.324  38.831 43.897  1.000 48.627  ? 135 SER HHH HA   1 
ATOM   1918 H HB2  . SER A 1 128 ? -5.623  41.039 42.233  1.000 48.172  ? 135 SER HHH HB2  1 
ATOM   1919 H HB3  . SER A 1 128 ? -6.463  41.165 43.584  1.000 49.635  ? 135 SER HHH HB3  1 
ATOM   1920 H HG   . SER A 1 128 ? -4.339  41.494 43.952  0.000 30.000  ? 135 SER HHH HG   1 
ATOM   1921 N N    . VAL A 1 129 ? -8.570  38.839 42.915  1.000 46.613  ? 136 VAL HHH N    1 
ATOM   1922 C CA   . VAL A 1 129 ? -9.923  38.720 42.323  1.000 45.249  ? 136 VAL HHH CA   1 
ATOM   1923 C C    . VAL A 1 129 ? -10.745 39.897 42.842  1.000 46.407  ? 136 VAL HHH C    1 
ATOM   1924 O O    . VAL A 1 129 ? -10.986 39.984 44.073  1.000 48.298  ? 136 VAL HHH O    1 
ATOM   1925 C CB   . VAL A 1 129 ? -10.556 37.363 42.652  1.000 44.475  ? 136 VAL HHH CB   1 
ATOM   1926 C CG1  . VAL A 1 129 ? -11.933 37.248 42.017  1.000 46.299  ? 136 VAL HHH CG1  1 
ATOM   1927 C CG2  . VAL A 1 129 ? -9.656  36.231 42.210  1.000 44.113  ? 136 VAL HHH CG2  1 
ATOM   1928 H H    . VAL A 1 129 ? -8.553  38.712 43.817  1.000 47.551  ? 136 VAL HHH H    1 
ATOM   1929 H HA   . VAL A 1 129 ? -9.845  38.796 41.357  1.000 44.224  ? 136 VAL HHH HA   1 
ATOM   1930 H HB   . VAL A 1 129 ? -10.663 37.308 43.634  1.000 46.319  ? 136 VAL HHH HB   1 
ATOM   1931 H HG11 . VAL A 1 129 ? -12.574 37.767 42.533  1.000 46.489  ? 136 VAL HHH HG11 1 
ATOM   1932 H HG12 . VAL A 1 129 ? -12.209 36.316 42.003  1.000 45.739  ? 136 VAL HHH HG12 1 
ATOM   1933 H HG13 . VAL A 1 129 ? -11.900 37.589 41.106  1.000 44.722  ? 136 VAL HHH HG13 1 
ATOM   1934 H HG21 . VAL A 1 129 ? -9.382  36.375 41.287  1.000 42.920  ? 136 VAL HHH HG21 1 
ATOM   1935 H HG22 . VAL A 1 129 ? -10.137 35.387 42.277  1.000 44.183  ? 136 VAL HHH HG22 1 
ATOM   1936 H HG23 . VAL A 1 129 ? -8.868  36.199 42.780  1.000 44.430  ? 136 VAL HHH HG23 1 
ATOM   1937 N N    . PHE A 1 130 ? -11.158 40.782 41.938  1.000 44.512  ? 137 PHE HHH N    1 
ATOM   1938 C CA   . PHE A 1 130 ? -11.893 42.016 42.298  1.000 42.415  ? 137 PHE HHH CA   1 
ATOM   1939 C C    . PHE A 1 130 ? -13.290 41.909 41.707  1.000 42.864  ? 137 PHE HHH C    1 
ATOM   1940 O O    . PHE A 1 130 ? -13.462 41.412 40.604  1.000 40.282  ? 137 PHE HHH O    1 
ATOM   1941 C CB   . PHE A 1 130 ? -11.136 43.237 41.787  1.000 43.212  ? 137 PHE HHH CB   1 
ATOM   1942 C CG   . PHE A 1 130 ? -9.752  43.410 42.374  1.000 44.016  ? 137 PHE HHH CG   1 
ATOM   1943 C CD1  . PHE A 1 130 ? -9.564  43.554 43.743  1.000 45.185  ? 137 PHE HHH CD1  1 
ATOM   1944 C CD2  . PHE A 1 130 ? -8.635  43.450 41.557  1.000 44.123  ? 137 PHE HHH CD2  1 
ATOM   1945 C CE1  . PHE A 1 130 ? -8.296  43.750 44.279  1.000 46.519  ? 137 PHE HHH CE1  1 
ATOM   1946 C CE2  . PHE A 1 130 ? -7.356  43.616 42.098  1.000 46.679  ? 137 PHE HHH CE2  1 
ATOM   1947 C CZ   . PHE A 1 130 ? -7.184  43.755 43.461  1.000 46.768  ? 137 PHE HHH CZ   1 
ATOM   1948 H H    . PHE A 1 130 ? -11.022 40.698 41.041  1.000 43.149  ? 137 PHE HHH H    1 
ATOM   1949 H HA   . PHE A 1 130 ? -11.965 42.072 43.283  1.000 44.353  ? 137 PHE HHH HA   1 
ATOM   1950 H HB2  . PHE A 1 130 ? -11.060 43.167 40.812  1.000 42.105  ? 137 PHE HHH HB2  1 
ATOM   1951 H HB3  . PHE A 1 130 ? -11.666 44.036 41.988  1.000 43.598  ? 137 PHE HHH HB3  1 
ATOM   1952 H HD1  . PHE A 1 130 ? -10.315 43.547 44.314  1.000 46.258  ? 137 PHE HHH HD1  1 
ATOM   1953 H HD2  . PHE A 1 130 ? -8.737  43.347 40.624  1.000 43.397  ? 137 PHE HHH HD2  1 
ATOM   1954 H HE1  . PHE A 1 130 ? -8.191  43.833 45.214  1.000 47.782  ? 137 PHE HHH HE1  1 
ATOM   1955 H HE2  . PHE A 1 130 ? -6.605  43.633 41.526  1.000 45.245  ? 137 PHE HHH HE2  1 
ATOM   1956 H HZ   . PHE A 1 130 ? -6.322  43.877 43.825  1.000 47.290  ? 137 PHE HHH HZ   1 
ATOM   1957 N N    . PRO A 1 131 ? -14.337 42.331 42.438  1.000 44.709  ? 138 PRO HHH N    1 
ATOM   1958 C CA   . PRO A 1 131 ? -15.688 42.310 41.888  1.000 45.034  ? 138 PRO HHH CA   1 
ATOM   1959 C C    . PRO A 1 131 ? -15.860 43.373 40.793  1.000 43.762  ? 138 PRO HHH C    1 
ATOM   1960 O O    . PRO A 1 131 ? -15.271 44.406 40.865  1.000 45.112  ? 138 PRO HHH O    1 
ATOM   1961 C CB   . PRO A 1 131 ? -16.580 42.629 43.100  1.000 45.989  ? 138 PRO HHH CB   1 
ATOM   1962 C CG   . PRO A 1 131 ? -15.681 43.459 44.008  1.000 47.834  ? 138 PRO HHH CG   1 
ATOM   1963 C CD   . PRO A 1 131 ? -14.278 42.908 43.795  1.000 46.147  ? 138 PRO HHH CD   1 
ATOM   1964 H HA   . PRO A 1 131 ? -15.899 41.407 41.540  1.000 44.372  ? 138 PRO HHH HA   1 
ATOM   1965 H HB2  . PRO A 1 131 ? -17.373 43.140 42.830  1.000 46.679  ? 138 PRO HHH HB2  1 
ATOM   1966 H HB3  . PRO A 1 131 ? -16.870 41.807 43.550  1.000 46.968  ? 138 PRO HHH HB3  1 
ATOM   1967 H HG2  . PRO A 1 131 ? -15.722 44.406 43.764  1.000 47.327  ? 138 PRO HHH HG2  1 
ATOM   1968 H HG3  . PRO A 1 131 ? -15.952 43.363 44.944  1.000 48.510  ? 138 PRO HHH HG3  1 
ATOM   1969 H HD2  . PRO A 1 131 ? -13.612 43.619 43.844  1.000 46.330  ? 138 PRO HHH HD2  1 
ATOM   1970 H HD3  . PRO A 1 131 ? -14.062 42.225 44.456  1.000 46.913  ? 138 PRO HHH HD3  1 
ATOM   1971 N N    . LEU A 1 132 ? -16.671 43.036 39.810  1.000 44.042  ? 139 LEU HHH N    1 
ATOM   1972 C CA   . LEU A 1 132 ? -17.269 43.932 38.805  1.000 44.360  ? 139 LEU HHH CA   1 
ATOM   1973 C C    . LEU A 1 132 ? -18.745 44.034 39.197  1.000 47.186  ? 139 LEU HHH C    1 
ATOM   1974 O O    . LEU A 1 132 ? -19.530 43.179 38.714  1.000 46.304  ? 139 LEU HHH O    1 
ATOM   1975 C CB   . LEU A 1 132 ? -17.066 43.344 37.398  1.000 42.931  ? 139 LEU HHH CB   1 
ATOM   1976 C CG   . LEU A 1 132 ? -15.613 43.170 36.944  1.000 42.591  ? 139 LEU HHH CG   1 
ATOM   1977 C CD1  . LEU A 1 132 ? -15.527 42.387 35.634  1.000 40.963  ? 139 LEU HHH CD1  1 
ATOM   1978 C CD2  . LEU A 1 132 ? -14.889 44.514 36.802  1.000 42.833  ? 139 LEU HHH CD2  1 
ATOM   1979 H H    . LEU A 1 132 ? -16.928 42.172 39.689  1.000 43.870  ? 139 LEU HHH H    1 
ATOM   1980 H HA   . LEU A 1 132 ? -16.849 44.821 38.868  1.000 44.583  ? 139 LEU HHH HA   1 
ATOM   1981 H HB2  . LEU A 1 132 ? -17.505 42.473 37.362  1.000 43.181  ? 139 LEU HHH HB2  1 
ATOM   1982 H HB3  . LEU A 1 132 ? -17.520 43.926 36.756  1.000 43.228  ? 139 LEU HHH HB3  1 
ATOM   1983 H HG   . LEU A 1 132 ? -15.141 42.646 37.638  1.000 42.396  ? 139 LEU HHH HG   1 
ATOM   1984 H HD11 . LEU A 1 132 ? -15.831 41.475 35.780  1.000 41.160  ? 139 LEU HHH HD11 1 
ATOM   1985 H HD12 . LEU A 1 132 ? -14.605 42.374 35.322  1.000 40.551  ? 139 LEU HHH HD12 1 
ATOM   1986 H HD13 . LEU A 1 132 ? -16.090 42.812 34.964  1.000 41.279  ? 139 LEU HHH HD13 1 
ATOM   1987 H HD21 . LEU A 1 132 ? -15.397 45.095 36.209  1.000 42.909  ? 139 LEU HHH HD21 1 
ATOM   1988 H HD22 . LEU A 1 132 ? -14.002 44.368 36.430  1.000 42.160  ? 139 LEU HHH HD22 1 
ATOM   1989 H HD23 . LEU A 1 132 ? -14.809 44.933 37.676  1.000 43.397  ? 139 LEU HHH HD23 1 
ATOM   1990 N N    . ALA A 1 133 ? -19.092 45.007 40.066  1.000 47.772  ? 140 ALA HHH N    1 
ATOM   1991 C CA   . ALA A 1 133 ? -20.436 45.206 40.657  1.000 52.257  ? 140 ALA HHH CA   1 
ATOM   1992 C C    . ALA A 1 133 ? -21.492 45.459 39.567  1.000 53.741  ? 140 ALA HHH C    1 
ATOM   1993 O O    . ALA A 1 133 ? -21.269 46.199 38.611  1.000 54.512  ? 140 ALA HHH O    1 
ATOM   1994 C CB   . ALA A 1 133 ? -20.403 46.350 41.649  1.000 54.857  ? 140 ALA HHH CB   1 
ATOM   1995 H H    . ALA A 1 133 ? -18.496 45.630 40.361  1.000 48.613  ? 140 ALA HHH H    1 
ATOM   1996 H HA   . ALA A 1 133 ? -20.678 44.384 41.140  1.000 52.635  ? 140 ALA HHH HA   1 
ATOM   1997 H HB1  . ALA A 1 133 ? -21.307 46.551 41.944  1.000 55.298  ? 140 ALA HHH HB1  1 
ATOM   1998 H HB2  . ALA A 1 133 ? -19.862 46.099 42.417  1.000 54.607  ? 140 ALA HHH HB2  1 
ATOM   1999 H HB3  . ALA A 1 133 ? -20.019 47.137 41.229  1.000 54.001  ? 140 ALA HHH HB3  1 
ATOM   2000 N N    . PRO A 1 134 ? -22.689 44.843 39.676  1.000 55.192  ? 141 PRO HHH N    1 
ATOM   2001 C CA   . PRO A 1 134 ? -23.790 45.086 38.741  1.000 55.279  ? 141 PRO HHH CA   1 
ATOM   2002 C C    . PRO A 1 134 ? -24.005 46.533 38.269  1.000 54.790  ? 141 PRO HHH C    1 
ATOM   2003 O O    . PRO A 1 134 ? -24.356 47.319 39.114  1.000 55.523  ? 141 PRO HHH O    1 
ATOM   2004 C CB   . PRO A 1 134 ? -24.987 44.655 39.587  1.000 58.002  ? 141 PRO HHH CB   1 
ATOM   2005 C CG   . PRO A 1 134 ? -24.475 43.497 40.426  1.000 57.513  ? 141 PRO HHH CG   1 
ATOM   2006 C CD   . PRO A 1 134 ? -23.026 43.844 40.702  1.000 56.823  ? 141 PRO HHH CD   1 
ATOM   2007 H HA   . PRO A 1 134 ? -23.701 44.482 37.963  1.000 54.764  ? 141 PRO HHH HA   1 
ATOM   2008 H HB2  . PRO A 1 134 ? -25.295 45.387 40.162  1.000 58.400  ? 141 PRO HHH HB2  1 
ATOM   2009 H HB3  . PRO A 1 134 ? -25.732 44.368 39.017  1.000 58.022  ? 141 PRO HHH HB3  1 
ATOM   2010 H HG2  . PRO A 1 134 ? -24.980 43.422 41.261  1.000 58.912  ? 141 PRO HHH HG2  1 
ATOM   2011 H HG3  . PRO A 1 134 ? -24.544 42.653 39.935  1.000 57.424  ? 141 PRO HHH HG3  1 
ATOM   2012 H HD2  . PRO A 1 134 ? -22.922 44.216 41.597  1.000 57.199  ? 141 PRO HHH HD2  1 
ATOM   2013 H HD3  . PRO A 1 134 ? -22.458 43.056 40.619  1.000 55.905  ? 141 PRO HHH HD3  1 
ATOM   2014 N N    . GLY A 1 142 ? -34.757 44.751 32.045  1.000 71.130  ? 150 GLY HHH N    1 
ATOM   2015 C CA   . GLY A 1 142 ? -33.962 44.545 33.260  1.000 70.551  ? 150 GLY HHH CA   1 
ATOM   2016 C C    . GLY A 1 142 ? -33.053 43.342 33.097  1.000 67.595  ? 150 GLY HHH C    1 
ATOM   2017 O O    . GLY A 1 142 ? -33.399 42.274 33.619  1.000 70.185  ? 150 GLY HHH O    1 
ATOM   2018 H H    . GLY A 1 142 ? -35.596 44.414 32.158  1.000 72.766  ? 150 GLY HHH H    1 
ATOM   2019 H HA2  . GLY A 1 142 ? -33.418 45.353 33.436  1.000 69.188  ? 150 GLY HHH HA2  1 
ATOM   2020 H HA3  . GLY A 1 142 ? -34.570 44.401 34.028  1.000 71.195  ? 150 GLY HHH HA3  1 
ATOM   2021 N N    . THR A 1 143 ? -31.942 43.469 32.375  1.000 65.188  ? 151 THR HHH N    1 
ATOM   2022 C CA   . THR A 1 143 ? -30.823 42.490 32.486  1.000 62.559  ? 151 THR HHH CA   1 
ATOM   2023 C C    . THR A 1 143 ? -29.603 43.249 33.013  1.000 58.233  ? 151 THR HHH C    1 
ATOM   2024 O O    . THR A 1 143 ? -29.351 44.404 32.615  1.000 56.660  ? 151 THR HHH O    1 
ATOM   2025 C CB   . THR A 1 143 ? -30.637 41.612 31.229  1.000 64.182  ? 151 THR HHH CB   1 
ATOM   2026 O OG1  . THR A 1 143 ? -30.918 42.346 30.041  1.000 66.266  ? 151 THR HHH OG1  1 
ATOM   2027 C CG2  . THR A 1 143 ? -31.553 40.401 31.220  1.000 64.898  ? 151 THR HHH CG2  1 
ATOM   2028 H H    . THR A 1 143 ? -31.784 44.138 31.778  1.000 64.777  ? 151 THR HHH H    1 
ATOM   2029 H HA   . THR A 1 143 ? -31.083 41.871 33.205  1.000 63.145  ? 151 THR HHH HA   1 
ATOM   2030 H HB   . THR A 1 143 ? -29.700 41.304 31.201  1.000 62.581  ? 151 THR HHH HB   1 
ATOM   2031 H HG1  . THR A 1 143 ? -30.806 41.839 29.406  0.000 30.000  ? 151 THR HHH HG1  1 
ATOM   2032 H HG21 . THR A 1 143 ? -31.356 39.837 31.989  1.000 65.021  ? 151 THR HHH HG21 1 
ATOM   2033 H HG22 . THR A 1 143 ? -31.412 39.892 30.401  1.000 64.937  ? 151 THR HHH HG22 1 
ATOM   2034 H HG23 . THR A 1 143 ? -32.481 40.694 31.262  1.000 66.612  ? 151 THR HHH HG23 1 
ATOM   2035 N N    . ALA A 1 144 ? -28.901 42.630 33.948  1.000 56.833  ? 152 ALA HHH N    1 
ATOM   2036 C CA   . ALA A 1 144 ? -27.767 43.247 34.672  1.000 54.315  ? 152 ALA HHH CA   1 
ATOM   2037 C C    . ALA A 1 144 ? -26.489 42.471 34.337  1.000 51.212  ? 152 ALA HHH C    1 
ATOM   2038 O O    . ALA A 1 144 ? -26.598 41.241 34.161  1.000 52.650  ? 152 ALA HHH O    1 
ATOM   2039 C CB   . ALA A 1 144 ? -28.097 43.272 36.149  1.000 54.898  ? 152 ALA HHH CB   1 
ATOM   2040 H H    . ALA A 1 144 ? -29.060 41.774 34.215  1.000 57.032  ? 152 ALA HHH H    1 
ATOM   2041 H HA   . ALA A 1 144 ? -27.659 44.175 34.357  1.000 54.020  ? 152 ALA HHH HA   1 
ATOM   2042 H HB1  . ALA A 1 144 ? -27.360 43.673 36.640  1.000 54.324  ? 152 ALA HHH HB1  1 
ATOM   2043 H HB2  . ALA A 1 144 ? -28.903 43.795 36.294  1.000 56.118  ? 152 ALA HHH HB2  1 
ATOM   2044 H HB3  . ALA A 1 144 ? -28.240 42.364 36.466  1.000 55.368  ? 152 ALA HHH HB3  1 
ATOM   2045 N N    . ALA A 1 145 ? -25.346 43.146 34.161  1.000 47.494  ? 153 ALA HHH N    1 
ATOM   2046 C CA   . ALA A 1 145 ? -24.055 42.468 33.942  1.000 47.211  ? 153 ALA HHH CA   1 
ATOM   2047 C C    . ALA A 1 145 ? -23.238 42.560 35.235  1.000 46.119  ? 153 ALA HHH C    1 
ATOM   2048 O O    . ALA A 1 145 ? -23.193 43.628 35.854  1.000 45.769  ? 153 ALA HHH O    1 
ATOM   2049 C CB   . ALA A 1 145 ? -23.323 43.034 32.749  1.000 45.601  ? 153 ALA HHH CB   1 
ATOM   2050 H H    . ALA A 1 145 ? -25.278 44.054 34.163  1.000 48.369  ? 153 ALA HHH H    1 
ATOM   2051 H HA   . ALA A 1 145 ? -24.235 41.517 33.765  1.000 46.789  ? 153 ALA HHH HA   1 
ATOM   2052 H HB1  . ALA A 1 145 ? -22.482 42.560 32.628  1.000 44.852  ? 153 ALA HHH HB1  1 
ATOM   2053 H HB2  . ALA A 1 145 ? -23.869 42.929 31.952  1.000 46.181  ? 153 ALA HHH HB2  1 
ATOM   2054 H HB3  . ALA A 1 145 ? -23.143 43.978 32.895  1.000 45.818  ? 153 ALA HHH HB3  1 
ATOM   2055 N N    . LEU A 1 146 ? -22.623 41.466 35.643  1.000 45.322  ? 154 LEU HHH N    1 
ATOM   2056 C CA   . LEU A 1 146 ? -21.679 41.507 36.780  1.000 45.036  ? 154 LEU HHH CA   1 
ATOM   2057 C C    . LEU A 1 146 ? -20.516 40.598 36.430  1.000 42.609  ? 154 LEU HHH C    1 
ATOM   2058 O O    . LEU A 1 146 ? -20.616 39.885 35.423  1.000 40.316  ? 154 LEU HHH O    1 
ATOM   2059 C CB   . LEU A 1 146 ? -22.388 41.146 38.098  1.000 48.210  ? 154 LEU HHH CB   1 
ATOM   2060 C CG   . LEU A 1 146 ? -23.097 39.789 38.145  1.000 51.488  ? 154 LEU HHH CG   1 
ATOM   2061 C CD1  . LEU A 1 146 ? -22.229 38.758 38.840  1.000 52.937  ? 154 LEU HHH CD1  1 
ATOM   2062 C CD2  . LEU A 1 146 ? -24.439 39.865 38.864  1.000 53.730  ? 154 LEU HHH CD2  1 
ATOM   2063 H H    . LEU A 1 146 ? -22.739 40.646 35.262  1.000 45.310  ? 154 LEU HHH H    1 
ATOM   2064 H HA   . LEU A 1 146 ? -21.331 42.426 36.852  1.000 44.944  ? 154 LEU HHH HA   1 
ATOM   2065 H HB2  . LEU A 1 146 ? -21.724 41.172 38.817  1.000 48.233  ? 154 LEU HHH HB2  1 
ATOM   2066 H HB3  . LEU A 1 146 ? -23.047 41.843 38.287  1.000 49.152  ? 154 LEU HHH HB3  1 
ATOM   2067 H HG   . LEU A 1 146 ? -23.258 39.486 37.218  1.000 50.962  ? 154 LEU HHH HG   1 
ATOM   2068 H HD11 . LEU A 1 146 ? -21.377 38.685 38.376  1.000 51.204  ? 154 LEU HHH HD11 1 
ATOM   2069 H HD12 . LEU A 1 146 ? -22.679 37.895 38.829  1.000 52.946  ? 154 LEU HHH HD12 1 
ATOM   2070 H HD13 . LEU A 1 146 ? -22.075 39.031 39.761  1.000 52.898  ? 154 LEU HHH HD13 1 
ATOM   2071 H HD21 . LEU A 1 146 ? -24.302 40.174 39.776  1.000 54.117  ? 154 LEU HHH HD21 1 
ATOM   2072 H HD22 . LEU A 1 146 ? -24.850 38.983 38.880  1.000 54.230  ? 154 LEU HHH HD22 1 
ATOM   2073 H HD23 . LEU A 1 146 ? -25.024 40.486 38.396  1.000 53.904  ? 154 LEU HHH HD23 1 
ATOM   2074 N N    . GLY A 1 147 ? -19.441 40.671 37.206  1.000 39.926  ? 155 GLY HHH N    1 
ATOM   2075 C CA   . GLY A 1 147 ? -18.240 39.897 36.910  1.000 40.498  ? 155 GLY HHH CA   1 
ATOM   2076 C C    . GLY A 1 147 ? -17.200 39.918 38.021  1.000 40.875  ? 155 GLY HHH C    1 
ATOM   2077 O O    . GLY A 1 147 ? -17.449 40.473 39.122  1.000 41.478  ? 155 GLY HHH O    1 
ATOM   2078 H H    . GLY A 1 147 ? -19.400 41.195 37.950  1.000 41.340  ? 155 GLY HHH H    1 
ATOM   2079 H HA2  . GLY A 1 147 ? -18.504 38.959 36.736  1.000 40.212  ? 155 GLY HHH HA2  1 
ATOM   2080 H HA3  . GLY A 1 147 ? -17.833 40.252 36.081  1.000 39.432  ? 155 GLY HHH HA3  1 
ATOM   2081 N N    . CYS A 1 148 ? -16.069 39.325 37.674  1.000 40.684  ? 156 CYS HHH N    1 
ATOM   2082 C CA   . CYS A 1 148 ? -14.814 39.226 38.445  1.000 42.856  ? 156 CYS HHH CA   1 
ATOM   2083 C C    . CYS A 1 148 ? -13.676 39.593 37.509  1.000 40.395  ? 156 CYS HHH C    1 
ATOM   2084 O O    . CYS A 1 148 ? -13.652 39.141 36.351  1.000 38.375  ? 156 CYS HHH O    1 
ATOM   2085 C CB   . CYS A 1 148 ? -14.630 37.814 38.972  1.000 45.779  ? 156 CYS HHH CB   1 
ATOM   2086 S SG   . CYS A 1 148 ? -15.615 37.575 40.469  1.000 56.722  ? 156 CYS HHH SG   1 
ATOM   2087 H H    . CYS A 1 148 ? -15.991 38.899 36.872  1.000 40.395  ? 156 CYS HHH H    1 
ATOM   2088 H HA   . CYS A 1 148 ? -14.849 39.859 39.197  1.000 43.304  ? 156 CYS HHH HA   1 
ATOM   2089 H HB2  . CYS A 1 148 ? -14.912 37.167 38.293  1.000 46.622  ? 156 CYS HHH HB2  1 
ATOM   2090 H HB3  . CYS A 1 148 ? -13.686 37.657 39.180  1.000 46.670  ? 156 CYS HHH HB3  1 
ATOM   2091 N N    . LEU A 1 149 ? -12.795 40.417 38.007  1.000 39.925  ? 157 LEU HHH N    1 
ATOM   2092 C CA   . LEU A 1 149 ? -11.522 40.770 37.348  1.000 41.254  ? 157 LEU HHH CA   1 
ATOM   2093 C C    . LEU A 1 149 ? -10.448 39.983 38.093  1.000 39.767  ? 157 LEU HHH C    1 
ATOM   2094 O O    . LEU A 1 149 ? -10.269 40.198 39.323  1.000 38.187  ? 157 LEU HHH O    1 
ATOM   2095 C CB   . LEU A 1 149 ? -11.298 42.285 37.469  1.000 42.314  ? 157 LEU HHH CB   1 
ATOM   2096 C CG   . LEU A 1 149 ? -9.981  42.801 36.890  1.000 42.732  ? 157 LEU HHH CG   1 
ATOM   2097 C CD1  . LEU A 1 149 ? -9.905  42.483 35.409  1.000 42.204  ? 157 LEU HHH CD1  1 
ATOM   2098 C CD2  . LEU A 1 149 ? -9.828  44.301 37.126  1.000 43.509  ? 157 LEU HHH CD2  1 
ATOM   2099 H H    . LEU A 1 149 ? -12.914 40.832 38.809  1.000 41.307  ? 157 LEU HHH H    1 
ATOM   2100 H HA   . LEU A 1 149 ? -11.550 40.496 36.403  1.000 39.971  ? 157 LEU HHH HA   1 
ATOM   2101 H HB2  . LEU A 1 149 ? -12.035 42.742 37.019  1.000 42.459  ? 157 LEU HHH HB2  1 
ATOM   2102 H HB3  . LEU A 1 149 ? -11.335 42.527 38.416  1.000 43.115  ? 157 LEU HHH HB3  1 
ATOM   2103 H HG   . LEU A 1 149 ? -9.235  42.338 37.346  1.000 42.635  ? 157 LEU HHH HG   1 
ATOM   2104 H HD11 . LEU A 1 149 ? -9.693  41.541 35.289  1.000 41.557  ? 157 LEU HHH HD11 1 
ATOM   2105 H HD12 . LEU A 1 149 ? -9.211  43.025 34.995  1.000 41.997  ? 157 LEU HHH HD12 1 
ATOM   2106 H HD13 . LEU A 1 149 ? -10.761 42.678 34.990  1.000 42.104  ? 157 LEU HHH HD13 1 
ATOM   2107 H HD21 . LEU A 1 149 ? -10.549 44.776 36.677  1.000 43.586  ? 157 LEU HHH HD21 1 
ATOM   2108 H HD22 . LEU A 1 149 ? -8.973  44.601 36.771  1.000 43.390  ? 157 LEU HHH HD22 1 
ATOM   2109 H HD23 . LEU A 1 149 ? -9.865  44.485 38.081  1.000 44.224  ? 157 LEU HHH HD23 1 
ATOM   2110 N N    . VAL A 1 150 ? -9.769  39.133 37.349  1.000 38.705  ? 158 VAL HHH N    1 
ATOM   2111 C CA   . VAL A 1 150 ? -8.757  38.194 37.864  1.000 40.502  ? 158 VAL HHH CA   1 
ATOM   2112 C C    . VAL A 1 150 ? -7.415  38.755 37.406  1.000 43.175  ? 158 VAL HHH C    1 
ATOM   2113 O O    . VAL A 1 150 ? -7.043  38.543 36.217  1.000 41.090  ? 158 VAL HHH O    1 
ATOM   2114 C CB   . VAL A 1 150 ? -9.015  36.769 37.344  1.000 39.413  ? 158 VAL HHH CB   1 
ATOM   2115 C CG1  . VAL A 1 150 ? -7.956  35.832 37.891  1.000 38.970  ? 158 VAL HHH CG1  1 
ATOM   2116 C CG2  . VAL A 1 150 ? -10.422 36.301 37.705  1.000 39.350  ? 158 VAL HHH CG2  1 
ATOM   2117 H H    . VAL A 1 150 ? -9.884  39.073 36.447  1.000 38.570  ? 158 VAL HHH H    1 
ATOM   2118 H HA   . VAL A 1 150 ? -8.789  38.191 38.837  1.000 41.392  ? 158 VAL HHH HA   1 
ATOM   2119 H HB   . VAL A 1 150 ? -8.938  36.785 36.358  1.000 38.551  ? 158 VAL HHH HB   1 
ATOM   2120 H HG11 . VAL A 1 150 ? -7.096  36.037 37.485  1.000 38.682  ? 158 VAL HHH HG11 1 
ATOM   2121 H HG12 . VAL A 1 150 ? -8.198  34.912 37.684  1.000 38.902  ? 158 VAL HHH HG12 1 
ATOM   2122 H HG13 . VAL A 1 150 ? -7.895  35.941 38.855  1.000 39.960  ? 158 VAL HHH HG13 1 
ATOM   2123 H HG21 . VAL A 1 150 ? -10.588 36.470 38.648  1.000 40.402  ? 158 VAL HHH HG21 1 
ATOM   2124 H HG22 . VAL A 1 150 ? -10.503 35.348 37.527  1.000 39.377  ? 158 VAL HHH HG22 1 
ATOM   2125 H HG23 . VAL A 1 150 ? -11.074 36.786 37.169  1.000 39.448  ? 158 VAL HHH HG23 1 
ATOM   2126 N N    . LYS A 1 151 ? -6.740  39.480 38.299  1.000 43.127  ? 159 LYS HHH N    1 
ATOM   2127 C CA   . LYS A 1 151 ? -5.656  40.386 37.873  1.000 43.729  ? 159 LYS HHH CA   1 
ATOM   2128 C C    . LYS A 1 151 ? -4.322  39.917 38.465  1.000 42.484  ? 159 LYS HHH C    1 
ATOM   2129 O O    . LYS A 1 151 ? -4.316  39.417 39.602  1.000 43.939  ? 159 LYS HHH O    1 
ATOM   2130 C CB   . LYS A 1 151 ? -6.056  41.807 38.264  1.000 45.721  ? 159 LYS HHH CB   1 
ATOM   2131 C CG   . LYS A 1 151 ? -5.020  42.838 37.879  1.000 49.857  ? 159 LYS HHH CG   1 
ATOM   2132 C CD   . LYS A 1 151 ? -5.600  44.217 37.737  1.000 52.831  ? 159 LYS HHH CD   1 
ATOM   2133 C CE   . LYS A 1 151 ? -4.656  45.143 37.006  1.000 54.126  ? 159 LYS HHH CE   1 
ATOM   2134 N NZ   . LYS A 1 151 ? -3.386  45.253 37.745  1.000 56.101  ? 159 LYS HHH NZ   1 
ATOM   2135 H H    . LYS A 1 151 ? -6.899  39.460 39.195  1.000 44.211  ? 159 LYS HHH H    1 
ATOM   2136 H HA   . LYS A 1 151 ? -5.588  40.345 36.892  1.000 42.769  ? 159 LYS HHH HA   1 
ATOM   2137 H HB2  . LYS A 1 151 ? -6.905  42.027 37.827  1.000 46.072  ? 159 LYS HHH HB2  1 
ATOM   2138 H HB3  . LYS A 1 151 ? -6.194  41.841 39.233  1.000 47.087  ? 159 LYS HHH HB3  1 
ATOM   2139 H HG2  . LYS A 1 151 ? -4.321  42.854 38.565  1.000 50.101  ? 159 LYS HHH HG2  1 
ATOM   2140 H HG3  . LYS A 1 151 ? -4.606  42.573 37.030  1.000 48.791  ? 159 LYS HHH HG3  1 
ATOM   2141 H HD2  . LYS A 1 151 ? -6.445  44.166 37.243  1.000 52.003  ? 159 LYS HHH HD2  1 
ATOM   2142 H HD3  . LYS A 1 151 ? -5.787  44.584 38.627  1.000 53.307  ? 159 LYS HHH HD3  1 
ATOM   2143 H HE2  . LYS A 1 151 ? -4.481  44.799 36.111  1.000 53.392  ? 159 LYS HHH HE2  1 
ATOM   2144 H HE3  . LYS A 1 151 ? -5.057  46.028 36.922  1.000 54.560  ? 159 LYS HHH HE3  1 
ATOM   2145 H HZ1  . LYS A 1 151 ? -3.527  45.118 38.631  1.000 56.235  ? 159 LYS HHH HZ1  1 
ATOM   2146 H HZ2  . LYS A 1 151 ? -3.033  46.080 37.627  1.000 56.381  ? 159 LYS HHH HZ2  1 
ATOM   2147 H HZ3  . LYS A 1 151 ? -2.798  44.636 37.438  1.000 55.294  ? 159 LYS HHH HZ3  1 
ATOM   2148 N N    . ASP A 1 152 ? -3.246  40.025 37.682  1.000 40.702  ? 160 ASP HHH N    1 
ATOM   2149 C CA   . ASP A 1 152 ? -1.827  39.962 38.154  1.000 40.624  ? 160 ASP HHH CA   1 
ATOM   2150 C C    . ASP A 1 152 ? -1.514  38.561 38.654  1.000 39.989  ? 160 ASP HHH C    1 
ATOM   2151 O O    . ASP A 1 152 ? -1.090  38.416 39.802  1.000 38.670  ? 160 ASP HHH O    1 
ATOM   2152 C CB   . ASP A 1 152 ? -1.520  41.009 39.220  1.000 43.713  ? 160 ASP HHH CB   1 
ATOM   2153 C CG   . ASP A 1 152 ? -1.615  42.406 38.648  1.000 45.862  ? 160 ASP HHH CG   1 
ATOM   2154 O OD1  . ASP A 1 152 ? -1.539  42.562 37.407  1.000 45.807  ? 160 ASP HHH OD1  1 
ATOM   2155 O OD2  . ASP A 1 152 ? -1.860  43.309 39.429  1.000 53.619  ? 160 ASP HHH OD2  1 
ATOM   2156 H H    . ASP A 1 152 ? -3.316  40.148 36.782  1.000 40.238  ? 160 ASP HHH H    1 
ATOM   2157 H HA   . ASP A 1 152 ? -1.247  40.143 37.380  1.000 40.619  ? 160 ASP HHH HA   1 
ATOM   2158 H HB2  . ASP A 1 152 ? -2.151  40.925 39.963  1.000 44.207  ? 160 ASP HHH HB2  1 
ATOM   2159 H HB3  . ASP A 1 152 ? -0.614  40.875 39.564  1.000 44.312  ? 160 ASP HHH HB3  1 
ATOM   2160 N N    . TYR A 1 153 ? -1.670  37.576 37.768  1.000 36.463  ? 161 TYR HHH N    1 
ATOM   2161 C CA   . TYR A 1 153 ? -1.260  36.194 38.048  1.000 37.256  ? 161 TYR HHH CA   1 
ATOM   2162 C C    . TYR A 1 153 ? -0.250  35.775 36.991  1.000 35.993  ? 161 TYR HHH C    1 
ATOM   2163 O O    . TYR A 1 153 ? -0.176  36.349 35.874  1.000 34.044  ? 161 TYR HHH O    1 
ATOM   2164 C CB   . TYR A 1 153 ? -2.491  35.282 38.086  1.000 38.832  ? 161 TYR HHH CB   1 
ATOM   2165 C CG   . TYR A 1 153 ? -3.197  35.125 36.755  1.000 36.972  ? 161 TYR HHH CG   1 
ATOM   2166 C CD1  . TYR A 1 153 ? -2.852  34.112 35.878  1.000 36.362  ? 161 TYR HHH CD1  1 
ATOM   2167 C CD2  . TYR A 1 153 ? -4.224  35.982 36.384  1.000 37.013  ? 161 TYR HHH CD2  1 
ATOM   2168 C CE1  . TYR A 1 153 ? -3.501  33.968 34.651  1.000 36.259  ? 161 TYR HHH CE1  1 
ATOM   2169 C CE2  . TYR A 1 153 ? -4.873  35.853 35.165  1.000 34.969  ? 161 TYR HHH CE2  1 
ATOM   2170 C CZ   . TYR A 1 153 ? -4.534  34.828 34.308  1.000 35.290  ? 161 TYR HHH CZ   1 
ATOM   2171 O OH   . TYR A 1 153 ? -5.178  34.725 33.111  1.000 35.029  ? 161 TYR HHH OH   1 
ATOM   2172 H H    . TYR A 1 153 ? -2.025  37.686 36.937  1.000 36.546  ? 161 TYR HHH H    1 
ATOM   2173 H HA   . TYR A 1 153 ? -0.817  36.166 38.932  1.000 38.248  ? 161 TYR HHH HA   1 
ATOM   2174 H HB2  . TYR A 1 153 ? -2.212  34.398 38.402  1.000 38.310  ? 161 TYR HHH HB2  1 
ATOM   2175 H HB3  . TYR A 1 153 ? -3.123  35.646 38.738  1.000 38.826  ? 161 TYR HHH HB3  1 
ATOM   2176 H HD1  . TYR A 1 153 ? -2.160  33.514 36.109  1.000 36.541  ? 161 TYR HHH HD1  1 
ATOM   2177 H HD2  . TYR A 1 153 ? -4.476  36.680 36.966  1.000 37.364  ? 161 TYR HHH HD2  1 
ATOM   2178 H HE1  . TYR A 1 153 ? -3.255  33.271 34.065  1.000 35.284  ? 161 TYR HHH HE1  1 
ATOM   2179 H HE2  . TYR A 1 153 ? -5.569  36.446 34.935  1.000 35.628  ? 161 TYR HHH HE2  1 
ATOM   2180 H HH   . TYR A 1 153 ? -5.521  33.937 33.029  0.000 30.000  ? 161 TYR HHH HH   1 
ATOM   2181 N N    . PHE A 1 154 ? 0.500   34.744 37.317  1.000 35.720  ? 162 PHE HHH N    1 
ATOM   2182 C CA   . PHE A 1 154 ? 1.494   34.186 36.383  1.000 34.784  ? 162 PHE HHH CA   1 
ATOM   2183 C C    . PHE A 1 154 ? 1.766   32.753 36.793  1.000 34.556  ? 162 PHE HHH C    1 
ATOM   2184 O O    . PHE A 1 154 ? 1.863   32.480 37.996  1.000 35.134  ? 162 PHE HHH O    1 
ATOM   2185 C CB   . PHE A 1 154 ? 2.773   35.023 36.434  1.000 34.300  ? 162 PHE HHH CB   1 
ATOM   2186 C CG   . PHE A 1 154 ? 3.816   34.478 35.495  1.000 34.534  ? 162 PHE HHH CG   1 
ATOM   2187 C CD1  . PHE A 1 154 ? 3.794   34.785 34.143  1.000 33.653  ? 162 PHE HHH CD1  1 
ATOM   2188 C CD2  . PHE A 1 154 ? 4.798   33.605 35.954  1.000 36.815  ? 162 PHE HHH CD2  1 
ATOM   2189 C CE1  . PHE A 1 154 ? 4.719   34.217 33.267  1.000 34.693  ? 162 PHE HHH CE1  1 
ATOM   2190 C CE2  . PHE A 1 154 ? 5.746   33.068 35.087  1.000 35.533  ? 162 PHE HHH CE2  1 
ATOM   2191 C CZ   . PHE A 1 154 ? 5.695   33.360 33.733  1.000 33.257  ? 162 PHE HHH CZ   1 
ATOM   2192 H H    . PHE A 1 154 ? 0.469   34.313 38.120  1.000 36.325  ? 162 PHE HHH H    1 
ATOM   2193 H HA   . PHE A 1 154 ? 1.125   34.203 35.467  1.000 33.736  ? 162 PHE HHH HA   1 
ATOM   2194 H HB2  . PHE A 1 154 ? 2.561   35.947 36.185  1.000 34.886  ? 162 PHE HHH HB2  1 
ATOM   2195 H HB3  . PHE A 1 154 ? 3.122   35.021 37.349  1.000 35.705  ? 162 PHE HHH HB3  1 
ATOM   2196 H HD1  . PHE A 1 154 ? 3.116   35.349 33.806  1.000 33.750  ? 162 PHE HHH HD1  1 
ATOM   2197 H HD2  . PHE A 1 154 ? 4.827   33.383 36.870  1.000 36.822  ? 162 PHE HHH HD2  1 
ATOM   2198 H HE1  . PHE A 1 154 ? 4.694   34.444 32.351  1.000 33.496  ? 162 PHE HHH HE1  1 
ATOM   2199 H HE2  . PHE A 1 154 ? 6.405   32.479 35.417  1.000 35.753  ? 162 PHE HHH HE2  1 
ATOM   2200 H HZ   . PHE A 1 154 ? 6.341   33.006 33.144  1.000 33.859  ? 162 PHE HHH HZ   1 
ATOM   2201 N N    . PRO A 1 155 ? 1.883   31.787 35.863  1.000 34.044  ? 163 PRO HHH N    1 
ATOM   2202 C CA   . PRO A 1 155 ? 1.570   31.952 34.446  1.000 34.637  ? 163 PRO HHH CA   1 
ATOM   2203 C C    . PRO A 1 155 ? 0.095   31.622 34.131  1.000 34.588  ? 163 PRO HHH C    1 
ATOM   2204 O O    . PRO A 1 155 ? -0.708  31.451 35.031  1.000 34.177  ? 163 PRO HHH O    1 
ATOM   2205 C CB   . PRO A 1 155 ? 2.523   30.898 33.869  1.000 33.004  ? 163 PRO HHH CB   1 
ATOM   2206 C CG   . PRO A 1 155 ? 2.405   29.742 34.837  1.000 33.673  ? 163 PRO HHH CG   1 
ATOM   2207 C CD   . PRO A 1 155 ? 2.272   30.402 36.182  1.000 34.681  ? 163 PRO HHH CD   1 
ATOM   2208 H HA   . PRO A 1 155 ? 1.818   32.855 34.128  1.000 34.268  ? 163 PRO HHH HA   1 
ATOM   2209 H HB2  . PRO A 1 155 ? 2.250   30.629 32.966  1.000 32.622  ? 163 PRO HHH HB2  1 
ATOM   2210 H HB3  . PRO A 1 155 ? 3.444   31.235 33.837  1.000 33.706  ? 163 PRO HHH HB3  1 
ATOM   2211 H HG2  . PRO A 1 155 ? 1.617   29.197 34.638  1.000 33.185  ? 163 PRO HHH HG2  1 
ATOM   2212 H HG3  . PRO A 1 155 ? 3.199   29.172 34.805  1.000 33.700  ? 163 PRO HHH HG3  1 
ATOM   2213 H HD2  . PRO A 1 155 ? 1.587   29.965 36.720  1.000 34.920  ? 163 PRO HHH HD2  1 
ATOM   2214 H HD3  . PRO A 1 155 ? 3.117   30.380 36.667  1.000 35.285  ? 163 PRO HHH HD3  1 
ATOM   2215 N N    . GLU A 1 156 ? -0.255  31.543 32.860  1.000 35.996  ? 164 GLU HHH N    1 
ATOM   2216 C CA   . GLU A 1 156 ? -1.540  30.910 32.472  1.000 39.699  ? 164 GLU HHH CA   1 
ATOM   2217 C C    . GLU A 1 156 ? -1.487  29.447 32.906  1.000 42.097  ? 164 GLU HHH C    1 
ATOM   2218 O O    . GLU A 1 156 ? -0.384  28.906 33.052  1.000 41.303  ? 164 GLU HHH O    1 
ATOM   2219 C CB   . GLU A 1 156 ? -1.699  30.978 30.969  1.000 37.748  ? 164 GLU HHH CB   1 
ATOM   2220 C CG   . GLU A 1 156 ? -1.956  32.375 30.472  1.000 41.896  ? 164 GLU HHH CG   1 
ATOM   2221 C CD   . GLU A 1 156 ? -3.443  32.667 30.466  1.000 45.268  ? 164 GLU HHH CD   1 
ATOM   2222 O OE1  . GLU A 1 156 ? -4.072  32.629 31.570  1.000 45.857  ? 164 GLU HHH OE1  1 
ATOM   2223 O OE2  . GLU A 1 156 ? -3.974  32.876 29.359  1.000 44.642  ? 164 GLU HHH OE2  1 
ATOM   2224 H H    . GLU A 1 156 ? 0.253   31.858 32.173  1.000 36.166  ? 164 GLU HHH H    1 
ATOM   2225 H HA   . GLU A 1 156 ? -2.284  31.374 32.919  1.000 39.397  ? 164 GLU HHH HA   1 
ATOM   2226 H HB2  . GLU A 1 156 ? -0.884  30.633 30.549  1.000 38.717  ? 164 GLU HHH HB2  1 
ATOM   2227 H HB3  . GLU A 1 156 ? -2.444  30.399 30.702  1.000 38.771  ? 164 GLU HHH HB3  1 
ATOM   2228 H HG2  . GLU A 1 156 ? -1.501  33.023 31.050  1.000 42.026  ? 164 GLU HHH HG2  1 
ATOM   2229 H HG3  . GLU A 1 156 ? -1.603  32.472 29.561  1.000 41.344  ? 164 GLU HHH HG3  1 
ATOM   2230 N N    . PRO A 1 157 ? -2.633  28.736 33.026  1.000 43.155  ? 165 PRO HHH N    1 
ATOM   2231 C CA   . PRO A 1 157 ? -3.976  29.325 32.936  1.000 43.428  ? 165 PRO HHH CA   1 
ATOM   2232 C C    . PRO A 1 157 ? -4.701  29.535 34.283  1.000 44.218  ? 165 PRO HHH C    1 
ATOM   2233 O O    . PRO A 1 157 ? -4.195  29.172 35.332  1.000 46.471  ? 165 PRO HHH O    1 
ATOM   2234 C CB   . PRO A 1 157 ? -4.695  28.213 32.150  1.000 42.973  ? 165 PRO HHH CB   1 
ATOM   2235 C CG   . PRO A 1 157 ? -4.173  26.952 32.840  1.000 43.822  ? 165 PRO HHH CG   1 
ATOM   2236 C CD   . PRO A 1 157 ? -2.694  27.253 33.072  1.000 43.286  ? 165 PRO HHH CD   1 
ATOM   2237 H HA   . PRO A 1 157 ? -3.960  30.159 32.405  1.000 43.039  ? 165 PRO HHH HA   1 
ATOM   2238 H HB2  . PRO A 1 157 ? -5.670  28.287 32.234  1.000 43.426  ? 165 PRO HHH HB2  1 
ATOM   2239 H HB3  . PRO A 1 157 ? -4.448  28.227 31.201  1.000 42.568  ? 165 PRO HHH HB3  1 
ATOM   2240 H HG2  . PRO A 1 157 ? -4.637  26.795 33.688  1.000 44.302  ? 165 PRO HHH HG2  1 
ATOM   2241 H HG3  . PRO A 1 157 ? -4.284  26.166 32.267  1.000 43.364  ? 165 PRO HHH HG3  1 
ATOM   2242 H HD2  . PRO A 1 157 ? -2.398  26.917 33.939  1.000 43.930  ? 165 PRO HHH HD2  1 
ATOM   2243 H HD3  . PRO A 1 157 ? -2.141  26.858 32.373  1.000 42.858  ? 165 PRO HHH HD3  1 
ATOM   2244 N N    . VAL A 1 158 ? -5.857  30.184 34.250  1.000 43.384  ? 166 VAL HHH N    1 
ATOM   2245 C CA   . VAL A 1 158 ? -6.791  30.229 35.414  1.000 45.424  ? 166 VAL HHH CA   1 
ATOM   2246 C C    . VAL A 1 158 ? -8.128  29.720 34.891  1.000 45.039  ? 166 VAL HHH C    1 
ATOM   2247 O O    . VAL A 1 158 ? -8.392  29.907 33.692  1.000 41.443  ? 166 VAL HHH O    1 
ATOM   2248 C CB   . VAL A 1 158 ? -6.991  31.627 36.034  1.000 46.123  ? 166 VAL HHH CB   1 
ATOM   2249 C CG1  . VAL A 1 158 ? -5.700  32.238 36.554  1.000 48.024  ? 166 VAL HHH CG1  1 
ATOM   2250 C CG2  . VAL A 1 158 ? -7.665  32.555 35.049  1.000 45.966  ? 166 VAL HHH CG2  1 
ATOM   2251 H H    . VAL A 1 158 ? -6.153  30.634 33.515  1.000 43.476  ? 166 VAL HHH H    1 
ATOM   2252 H HA   . VAL A 1 158 ? -6.471  29.621 36.101  1.000 45.655  ? 166 VAL HHH HA   1 
ATOM   2253 H HB   . VAL A 1 158 ? -7.600  31.519 36.806  1.000 47.259  ? 166 VAL HHH HB   1 
ATOM   2254 H HG11 . VAL A 1 158 ? -5.494  31.864 37.429  1.000 48.126  ? 166 VAL HHH HG11 1 
ATOM   2255 H HG12 . VAL A 1 158 ? -5.801  33.202 36.631  1.000 47.607  ? 166 VAL HHH HG12 1 
ATOM   2256 H HG13 . VAL A 1 158 ? -4.975  32.037 35.938  1.000 46.829  ? 166 VAL HHH HG13 1 
ATOM   2257 H HG21 . VAL A 1 158 ? -7.233  32.479 34.181  1.000 45.167  ? 166 VAL HHH HG21 1 
ATOM   2258 H HG22 . VAL A 1 158 ? -7.595  33.473 35.365  1.000 46.116  ? 166 VAL HHH HG22 1 
ATOM   2259 H HG23 . VAL A 1 158 ? -8.605  32.316 34.965  1.000 46.098  ? 166 VAL HHH HG23 1 
ATOM   2260 N N    . THR A 1 159 ? -8.937  29.122 35.755  1.000 45.494  ? 167 THR HHH N    1 
ATOM   2261 C CA   . THR A 1 159 ? -10.308 28.702 35.389  1.000 46.100  ? 167 THR HHH CA   1 
ATOM   2262 C C    . THR A 1 159 ? -11.235 29.521 36.275  1.000 45.047  ? 167 THR HHH C    1 
ATOM   2263 O O    . THR A 1 159 ? -10.857 29.804 37.448  1.000 43.706  ? 167 THR HHH O    1 
ATOM   2264 C CB   . THR A 1 159 ? -10.471 27.184 35.500  1.000 47.052  ? 167 THR HHH CB   1 
ATOM   2265 O OG1  . THR A 1 159 ? -10.315 26.867 36.873  1.000 48.027  ? 167 THR HHH OG1  1 
ATOM   2266 C CG2  . THR A 1 159 ? -9.460  26.402 34.689  1.000 49.396  ? 167 THR HHH CG2  1 
ATOM   2267 H H    . THR A 1 159 ? -8.716  28.926 36.617  1.000 46.283  ? 167 THR HHH H    1 
ATOM   2268 H HA   . THR A 1 159 ? -10.465 28.961 34.453  1.000 45.117  ? 167 THR HHH HA   1 
ATOM   2269 H HB   . THR A 1 159 ? -11.383 26.940 35.209  1.000 47.978  ? 167 THR HHH HB   1 
ATOM   2270 H HG1  . THR A 1 159 ? -9.040  25.894 36.823  0.000 30.000  ? 167 THR HHH HG1  1 
ATOM   2271 H HG21 . THR A 1 159 ? -9.800  26.270 33.786  1.000 47.935  ? 167 THR HHH HG21 1 
ATOM   2272 H HG22 . THR A 1 159 ? -9.307  25.536 35.107  1.000 48.819  ? 167 THR HHH HG22 1 
ATOM   2273 H HG23 . THR A 1 159 ? -8.620  26.893 34.649  1.000 47.727  ? 167 THR HHH HG23 1 
ATOM   2274 N N    . VAL A 1 160 ? -12.360 29.925 35.699  1.000 42.301  ? 168 VAL HHH N    1 
ATOM   2275 C CA   . VAL A 1 160 ? -13.447 30.634 36.418  1.000 43.892  ? 168 VAL HHH CA   1 
ATOM   2276 C C    . VAL A 1 160 ? -14.753 29.863 36.218  1.000 42.924  ? 168 VAL HHH C    1 
ATOM   2277 O O    . VAL A 1 160 ? -15.124 29.643 35.038  1.000 41.397  ? 168 VAL HHH O    1 
ATOM   2278 C CB   . VAL A 1 160 ? -13.614 32.078 35.908  1.000 42.401  ? 168 VAL HHH CB   1 
ATOM   2279 C CG1  . VAL A 1 160 ? -14.632 32.814 36.753  1.000 45.290  ? 168 VAL HHH CG1  1 
ATOM   2280 C CG2  . VAL A 1 160 ? -12.292 32.823 35.872  1.000 42.695  ? 168 VAL HHH CG2  1 
ATOM   2281 H H    . VAL A 1 160 ? -12.538 29.790 34.815  1.000 42.622  ? 168 VAL HHH H    1 
ATOM   2282 H HA   . VAL A 1 160 ? -13.235 30.657 37.365  1.000 43.830  ? 168 VAL HHH HA   1 
ATOM   2283 H HB   . VAL A 1 160 ? -13.962 32.031 34.983  1.000 42.753  ? 168 VAL HHH HB   1 
ATOM   2284 H HG11 . VAL A 1 160 ? -15.530 32.555 36.482  1.000 45.257  ? 168 VAL HHH HG11 1 
ATOM   2285 H HG12 . VAL A 1 160 ? -14.524 33.774 36.632  1.000 44.467  ? 168 VAL HHH HG12 1 
ATOM   2286 H HG13 . VAL A 1 160 ? -14.501 32.591 37.691  1.000 45.425  ? 168 VAL HHH HG13 1 
ATOM   2287 H HG21 . VAL A 1 160 ? -11.846 32.734 36.732  1.000 42.703  ? 168 VAL HHH HG21 1 
ATOM   2288 H HG22 . VAL A 1 160 ? -12.454 33.764 35.686  1.000 42.233  ? 168 VAL HHH HG22 1 
ATOM   2289 H HG23 . VAL A 1 160 ? -11.727 32.449 35.174  1.000 41.559  ? 168 VAL HHH HG23 1 
ATOM   2290 N N    . SER A 1 161 ? -15.475 29.616 37.307  1.000 43.083  ? 169 SER HHH N    1 
ATOM   2291 C CA   . SER A 1 161 ? -16.890 29.183 37.296  1.000 45.859  ? 169 SER HHH CA   1 
ATOM   2292 C C    . SER A 1 161 ? -17.706 30.142 38.169  1.000 46.706  ? 169 SER HHH C    1 
ATOM   2293 O O    . SER A 1 161 ? -17.097 30.975 38.902  1.000 47.609  ? 169 SER HHH O    1 
ATOM   2294 C CB   . SER A 1 161 ? -16.977 27.769 37.785  1.000 49.526  ? 169 SER HHH CB   1 
ATOM   2295 O OG   . SER A 1 161 ? -16.743 27.726 39.187  1.000 54.073  ? 169 SER HHH OG   1 
ATOM   2296 H H    . SER A 1 161 ? -15.145 29.692 38.153  1.000 44.158  ? 169 SER HHH H    1 
ATOM   2297 H HA   . SER A 1 161 ? -17.234 29.227 36.364  1.000 45.573  ? 169 SER HHH HA   1 
ATOM   2298 H HB2  . SER A 1 161 ? -17.870 27.406 37.587  1.000 50.557  ? 169 SER HHH HB2  1 
ATOM   2299 H HB3  . SER A 1 161 ? -16.308 27.217 37.320  1.000 48.871  ? 169 SER HHH HB3  1 
ATOM   2300 H HG   . SER A 1 161 ? -16.790 26.913 39.412  0.000 30.000  ? 169 SER HHH HG   1 
ATOM   2301 N N    . TRP A 1 162 ? -19.029 30.058 38.090  1.000 44.753  ? 170 TRP HHH N    1 
ATOM   2302 C CA   . TRP A 1 162 ? -19.958 30.869 38.905  1.000 46.589  ? 170 TRP HHH CA   1 
ATOM   2303 C C    . TRP A 1 162 ? -20.822 29.942 39.759  1.000 48.664  ? 170 TRP HHH C    1 
ATOM   2304 O O    . TRP A 1 162 ? -21.214 28.912 39.230  1.000 50.116  ? 170 TRP HHH O    1 
ATOM   2305 C CB   . TRP A 1 162 ? -20.802 31.735 37.976  1.000 46.874  ? 170 TRP HHH CB   1 
ATOM   2306 C CG   . TRP A 1 162 ? -19.997 32.833 37.379  1.000 44.718  ? 170 TRP HHH CG   1 
ATOM   2307 C CD1  . TRP A 1 162 ? -19.251 32.799 36.236  1.000 44.052  ? 170 TRP HHH CD1  1 
ATOM   2308 C CD2  . TRP A 1 162 ? -19.784 34.124 37.968  1.000 45.640  ? 170 TRP HHH CD2  1 
ATOM   2309 N NE1  . TRP A 1 162 ? -18.621 34.002 36.050  1.000 42.418  ? 170 TRP HHH NE1  1 
ATOM   2310 C CE2  . TRP A 1 162 ? -18.914 34.827 37.104  1.000 43.610  ? 170 TRP HHH CE2  1 
ATOM   2311 C CE3  . TRP A 1 162 ? -20.235 34.745 39.146  1.000 46.519  ? 170 TRP HHH CE3  1 
ATOM   2312 C CZ2  . TRP A 1 162 ? -18.513 36.138 37.371  1.000 44.449  ? 170 TRP HHH CZ2  1 
ATOM   2313 C CZ3  . TRP A 1 162 ? -19.828 36.031 39.410  1.000 46.988  ? 170 TRP HHH CZ3  1 
ATOM   2314 C CH2  . TRP A 1 162 ? -18.993 36.725 38.522  1.000 45.373  ? 170 TRP HHH CH2  1 
ATOM   2315 H H    . TRP A 1 162 ? -19.454 29.488 37.520  1.000 45.816  ? 170 TRP HHH H    1 
ATOM   2316 H HA   . TRP A 1 162 ? -19.432 31.459 39.492  1.000 46.343  ? 170 TRP HHH HA   1 
ATOM   2317 H HB2  . TRP A 1 162 ? -21.170 31.172 37.266  1.000 46.723  ? 170 TRP HHH HB2  1 
ATOM   2318 H HB3  . TRP A 1 162 ? -21.546 32.112 38.487  1.000 47.754  ? 170 TRP HHH HB3  1 
ATOM   2319 H HD1  . TRP A 1 162 ? -19.205 32.071 35.635  1.000 43.510  ? 170 TRP HHH HD1  1 
ATOM   2320 H HE1  . TRP A 1 162 ? -18.112 34.205 35.372  1.000 41.805  ? 170 TRP HHH HE1  1 
ATOM   2321 H HE3  . TRP A 1 162 ? -20.808 34.288 39.740  1.000 48.015  ? 170 TRP HHH HE3  1 
ATOM   2322 H HZ2  . TRP A 1 162 ? -17.946 36.603 36.781  1.000 43.107  ? 170 TRP HHH HZ2  1 
ATOM   2323 H HZ3  . TRP A 1 162 ? -20.138 36.466 40.188  1.000 47.580  ? 170 TRP HHH HZ3  1 
ATOM   2324 H HH2  . TRP A 1 162 ? -18.730 37.603 38.732  1.000 45.206  ? 170 TRP HHH HH2  1 
ATOM   2325 N N    . ASN A 1 163 ? -21.056 30.269 41.030  1.000 50.705  ? 171 ASN HHH N    1 
ATOM   2326 C CA   . ASN A 1 163 ? -21.923 29.473 41.934  1.000 52.956  ? 171 ASN HHH CA   1 
ATOM   2327 C C    . ASN A 1 163 ? -21.556 27.996 41.773  1.000 54.471  ? 171 ASN HHH C    1 
ATOM   2328 O O    . ASN A 1 163 ? -22.449 27.167 41.528  1.000 53.660  ? 171 ASN HHH O    1 
ATOM   2329 C CB   . ASN A 1 163 ? -23.393 29.767 41.640  1.000 54.196  ? 171 ASN HHH CB   1 
ATOM   2330 C CG   . ASN A 1 163 ? -23.709 31.227 41.854  1.000 52.737  ? 171 ASN HHH CG   1 
ATOM   2331 O OD1  . ASN A 1 163 ? -22.842 31.964 42.279  1.000 52.722  ? 171 ASN HHH OD1  1 
ATOM   2332 N ND2  . ASN A 1 163 ? -24.926 31.655 41.580  1.000 54.474  ? 171 ASN HHH ND2  1 
ATOM   2333 H H    . ASN A 1 163 ? -20.695 31.008 41.422  1.000 50.165  ? 171 ASN HHH H    1 
ATOM   2334 H HA   . ASN A 1 163 ? -21.738 29.745 42.864  1.000 53.896  ? 171 ASN HHH HA   1 
ATOM   2335 H HB2  . ASN A 1 163 ? -23.591 29.524 40.713  1.000 53.343  ? 171 ASN HHH HB2  1 
ATOM   2336 H HB3  . ASN A 1 163 ? -23.955 29.224 42.229  1.000 55.633  ? 171 ASN HHH HB3  1 
ATOM   2337 H HD21 . ASN A 1 163 ? -25.115 32.532 41.733  0.000 30.000  ? 171 ASN HHH HD21 1 
ATOM   2338 H HD22 . ASN A 1 163 ? -25.535 31.130 41.283  0.000 30.000  ? 171 ASN HHH HD22 1 
ATOM   2339 N N    . SER A 1 164 ? -20.256 27.715 41.814  1.000 54.528  ? 172 SER HHH N    1 
ATOM   2340 C CA   . SER A 1 164 ? -19.647 26.362 41.736  1.000 57.933  ? 172 SER HHH CA   1 
ATOM   2341 C C    . SER A 1 164 ? -20.125 25.605 40.495  1.000 58.838  ? 172 SER HHH C    1 
ATOM   2342 O O    . SER A 1 164 ? -20.192 24.380 40.572  1.000 61.124  ? 172 SER HHH O    1 
ATOM   2343 C CB   . SER A 1 164 ? -19.933 25.570 42.981  1.000 60.015  ? 172 SER HHH CB   1 
ATOM   2344 O OG   . SER A 1 164 ? -19.677 26.349 44.133  1.000 60.367  ? 172 SER HHH OG   1 
ATOM   2345 H H    . SER A 1 164 ? -19.623 28.362 41.906  1.000 53.950  ? 172 SER HHH H    1 
ATOM   2346 H HA   . SER A 1 164 ? -18.662 26.477 41.662  1.000 56.188  ? 172 SER HHH HA   1 
ATOM   2347 H HB2  . SER A 1 164 ? -20.874 25.283 42.979  1.000 61.364  ? 172 SER HHH HB2  1 
ATOM   2348 H HB3  . SER A 1 164 ? -19.366 24.765 42.996  1.000 59.967  ? 172 SER HHH HB3  1 
ATOM   2349 H HG   . SER A 1 164 ? -19.826 25.902 44.807  0.000 30.000  ? 172 SER HHH HG   1 
ATOM   2350 N N    . GLY A 1 165 ? -20.405 26.289 39.387  1.000 58.515  ? 173 GLY HHH N    1 
ATOM   2351 C CA   . GLY A 1 165 ? -20.821 25.640 38.129  1.000 56.544  ? 173 GLY HHH CA   1 
ATOM   2352 C C    . GLY A 1 165 ? -22.336 25.512 38.035  1.000 57.578  ? 173 GLY HHH C    1 
ATOM   2353 O O    . GLY A 1 165 ? -22.784 25.008 37.034  1.000 61.032  ? 173 GLY HHH O    1 
ATOM   2354 H H    . GLY A 1 165 ? -20.340 27.195 39.339  1.000 57.161  ? 173 GLY HHH H    1 
ATOM   2355 H HA2  . GLY A 1 165 ? -20.489 26.174 37.366  1.000 55.311  ? 173 GLY HHH HA2  1 
ATOM   2356 H HA3  . GLY A 1 165 ? -20.411 24.741 38.076  1.000 56.757  ? 173 GLY HHH HA3  1 
ATOM   2357 N N    . ALA A 1 166 ? -23.106 25.981 39.014  1.000 56.686  ? 174 ALA HHH N    1 
ATOM   2358 C CA   . ALA A 1 166 ? -24.582 26.073 38.913  1.000 59.794  ? 174 ALA HHH CA   1 
ATOM   2359 C C    . ALA A 1 166 ? -24.991 27.080 37.828  1.000 59.043  ? 174 ALA HHH C    1 
ATOM   2360 O O    . ALA A 1 166 ? -26.080 26.930 37.262  1.000 60.991  ? 174 ALA HHH O    1 
ATOM   2361 C CB   . ALA A 1 166 ? -25.193 26.477 40.236  1.000 60.944  ? 174 ALA HHH CB   1 
ATOM   2362 H H    . ALA A 1 166 ? -22.790 26.275 39.814  1.000 57.696  ? 174 ALA HHH H    1 
ATOM   2363 H HA   . ALA A 1 166 ? -24.932 25.186 38.662  1.000 60.465  ? 174 ALA HHH HA   1 
ATOM   2364 H HB1  . ALA A 1 166 ? -26.162 26.437 40.172  1.000 62.611  ? 174 ALA HHH HB1  1 
ATOM   2365 H HB2  . ALA A 1 166 ? -24.889 25.872 40.933  1.000 61.923  ? 174 ALA HHH HB2  1 
ATOM   2366 H HB3  . ALA A 1 166 ? -24.922 27.385 40.455  1.000 60.318  ? 174 ALA HHH HB3  1 
ATOM   2367 N N    . LEU A 1 167 ? -24.196 28.125 37.604  1.000 55.617  ? 175 LEU HHH N    1 
ATOM   2368 C CA   . LEU A 1 167 ? -24.574 29.252 36.719  1.000 53.380  ? 175 LEU HHH CA   1 
ATOM   2369 C C    . LEU A 1 167 ? -23.654 29.249 35.495  1.000 51.290  ? 175 LEU HHH C    1 
ATOM   2370 O O    . LEU A 1 167 ? -22.465 29.517 35.662  1.000 48.522  ? 175 LEU HHH O    1 
ATOM   2371 C CB   . LEU A 1 167 ? -24.424 30.548 37.513  1.000 52.342  ? 175 LEU HHH CB   1 
ATOM   2372 C CG   . LEU A 1 167 ? -24.589 31.814 36.684  1.000 50.805  ? 175 LEU HHH CG   1 
ATOM   2373 C CD1  . LEU A 1 167 ? -25.980 31.844 36.064  1.000 52.432  ? 175 LEU HHH CD1  1 
ATOM   2374 C CD2  . LEU A 1 167 ? -24.334 33.051 37.534  1.000 51.525  ? 175 LEU HHH CD2  1 
ATOM   2375 H H    . LEU A 1 167 ? -23.374 28.213 37.984  1.000 54.725  ? 175 LEU HHH H    1 
ATOM   2376 H HA   . LEU A 1 167 ? -25.508 29.139 36.428  1.000 54.722  ? 175 LEU HHH HA   1 
ATOM   2377 H HB2  . LEU A 1 167 ? -25.090 30.553 38.229  1.000 53.857  ? 175 LEU HHH HB2  1 
ATOM   2378 H HB3  . LEU A 1 167 ? -23.539 30.558 37.929  1.000 51.525  ? 175 LEU HHH HB3  1 
ATOM   2379 H HG   . LEU A 1 167 ? -23.923 31.800 35.953  1.000 49.762  ? 175 LEU HHH HG   1 
ATOM   2380 H HD11 . LEU A 1 167 ? -26.019 31.217 35.322  1.000 52.306  ? 175 LEU HHH HD11 1 
ATOM   2381 H HD12 . LEU A 1 167 ? -26.172 32.741 35.739  1.000 52.077  ? 175 LEU HHH HD12 1 
ATOM   2382 H HD13 . LEU A 1 167 ? -26.640 31.595 36.734  1.000 53.917  ? 175 LEU HHH HD13 1 
ATOM   2383 H HD21 . LEU A 1 167 ? -24.799 32.963 38.384  1.000 52.501  ? 175 LEU HHH HD21 1 
ATOM   2384 H HD22 . LEU A 1 167 ? -24.660 33.840 37.067  1.000 51.012  ? 175 LEU HHH HD22 1 
ATOM   2385 H HD23 . LEU A 1 167 ? -23.380 33.143 37.696  1.000 50.098  ? 175 LEU HHH HD23 1 
ATOM   2386 N N    . THR A 1 168 ? -24.201 28.980 34.308  1.000 52.677  ? 176 THR HHH N    1 
ATOM   2387 C CA   . THR A 1 168 ? -23.451 28.774 33.033  1.000 50.450  ? 176 THR HHH CA   1 
ATOM   2388 C C    . THR A 1 168 ? -24.025 29.683 31.938  1.000 49.420  ? 176 THR HHH C    1 
ATOM   2389 O O    . THR A 1 168 ? -23.253 30.246 31.186  1.000 47.842  ? 176 THR HHH O    1 
ATOM   2390 C CB   . THR A 1 168 ? -23.511 27.307 32.576  1.000 50.012  ? 176 THR HHH CB   1 
ATOM   2391 O OG1  . THR A 1 168 ? -24.886 26.917 32.613  1.000 53.099  ? 176 THR HHH OG1  1 
ATOM   2392 C CG2  . THR A 1 168 ? -22.677 26.396 33.443  1.000 51.586  ? 176 THR HHH CG2  1 
ATOM   2393 H H    . THR A 1 168 ? -25.098 28.878 34.200  1.000 53.521  ? 176 THR HHH H    1 
ATOM   2394 H HA   . THR A 1 168 ? -22.509 29.019 33.184  1.000 48.869  ? 176 THR HHH HA   1 
ATOM   2395 H HB   . THR A 1 168 ? -23.185 27.253 31.646  1.000 49.866  ? 176 THR HHH HB   1 
ATOM   2396 H HG1  . THR A 1 168 ? -24.948 26.095 32.378  0.000 30.000  ? 176 THR HHH HG1  1 
ATOM   2397 H HG21 . THR A 1 168 ? -21.746 26.679 33.411  1.000 49.588  ? 176 THR HHH HG21 1 
ATOM   2398 H HG22 . THR A 1 168 ? -22.748 25.481 33.118  1.000 51.505  ? 176 THR HHH HG22 1 
ATOM   2399 H HG23 . THR A 1 168 ? -22.997 26.438 34.362  1.000 51.984  ? 176 THR HHH HG23 1 
ATOM   2400 N N    . SER A 1 169 ? -25.346 29.766 31.850  1.000 52.576  ? 177 SER HHH N    1 
ATOM   2401 C CA   . SER A 1 169 ? -26.118 30.669 30.956  1.000 54.589  ? 177 SER HHH CA   1 
ATOM   2402 C C    . SER A 1 169 ? -25.697 32.143 31.119  1.000 52.283  ? 177 SER HHH C    1 
ATOM   2403 O O    . SER A 1 169 ? -25.769 32.665 32.236  1.000 51.897  ? 177 SER HHH O    1 
ATOM   2404 C CB   . SER A 1 169 ? -27.575 30.487 31.236  1.000 56.630  ? 177 SER HHH CB   1 
ATOM   2405 O OG   . SER A 1 169 ? -28.286 31.626 30.818  1.000 61.181  ? 177 SER HHH OG   1 
ATOM   2406 H H    . SER A 1 169 ? -25.895 29.226 32.333  1.000 53.900  ? 177 SER HHH H    1 
ATOM   2407 H HA   . SER A 1 169 ? -25.942 30.395 30.016  1.000 53.616  ? 177 SER HHH HA   1 
ATOM   2408 H HB2  . SER A 1 169 ? -27.907 29.694 30.758  1.000 58.444  ? 177 SER HHH HB2  1 
ATOM   2409 H HB3  . SER A 1 169 ? -27.714 30.348 32.200  1.000 58.252  ? 177 SER HHH HB3  1 
ATOM   2410 H HG   . SER A 1 169 ? -29.097 31.450 30.975  0.000 30.000  ? 177 SER HHH HG   1 
ATOM   2411 N N    . GLY A 1 170 ? -25.243 32.783 30.036  1.000 52.035  ? 178 GLY HHH N    1 
ATOM   2412 C CA   . GLY A 1 170 ? -24.905 34.219 29.990  1.000 49.548  ? 178 GLY HHH CA   1 
ATOM   2413 C C    . GLY A 1 170 ? -23.469 34.501 30.412  1.000 47.064  ? 178 GLY HHH C    1 
ATOM   2414 O O    . GLY A 1 170 ? -23.060 35.693 30.395  1.000 46.371  ? 178 GLY HHH O    1 
ATOM   2415 H H    . GLY A 1 170 ? -25.114 32.353 29.244  1.000 51.268  ? 178 GLY HHH H    1 
ATOM   2416 H HA2  . GLY A 1 170 ? -25.043 34.549 29.067  1.000 49.773  ? 178 GLY HHH HA2  1 
ATOM   2417 H HA3  . GLY A 1 170 ? -25.523 34.713 30.584  1.000 50.600  ? 178 GLY HHH HA3  1 
ATOM   2418 N N    . VAL A 1 171 ? -22.703 33.477 30.787  1.000 45.686  ? 179 VAL HHH N    1 
ATOM   2419 C CA   . VAL A 1 171 ? -21.300 33.654 31.289  1.000 42.851  ? 179 VAL HHH CA   1 
ATOM   2420 C C    . VAL A 1 171 ? -20.381 33.889 30.101  1.000 41.200  ? 179 VAL HHH C    1 
ATOM   2421 O O    . VAL A 1 171 ? -20.381 33.057 29.217  1.000 40.688  ? 179 VAL HHH O    1 
ATOM   2422 C CB   . VAL A 1 171 ? -20.817 32.428 32.090  1.000 42.528  ? 179 VAL HHH CB   1 
ATOM   2423 C CG1  . VAL A 1 171 ? -19.349 32.521 32.448  1.000 41.979  ? 179 VAL HHH CG1  1 
ATOM   2424 C CG2  . VAL A 1 171 ? -21.665 32.196 33.345  1.000 44.302  ? 179 VAL HHH CG2  1 
ATOM   2425 H H    . VAL A 1 171 ? -22.975 32.610 30.755  1.000 46.095  ? 179 VAL HHH H    1 
ATOM   2426 H HA   . VAL A 1 171 ? -21.273 34.435 31.866  1.000 42.978  ? 179 VAL HHH HA   1 
ATOM   2427 H HB   . VAL A 1 171 ? -20.929 31.637 31.507  1.000 42.930  ? 179 VAL HHH HB   1 
ATOM   2428 H HG11 . VAL A 1 171 ? -18.810 32.216 31.698  1.000 40.916  ? 179 VAL HHH HG11 1 
ATOM   2429 H HG12 . VAL A 1 171 ? -19.166 31.962 33.224  1.000 41.965  ? 179 VAL HHH HG12 1 
ATOM   2430 H HG13 . VAL A 1 171 ? -19.122 33.445 32.655  1.000 41.371  ? 179 VAL HHH HG13 1 
ATOM   2431 H HG21 . VAL A 1 171 ? -21.583 32.963 33.939  1.000 44.201  ? 179 VAL HHH HG21 1 
ATOM   2432 H HG22 . VAL A 1 171 ? -21.356 31.397 33.804  1.000 44.345  ? 179 VAL HHH HG22 1 
ATOM   2433 H HG23 . VAL A 1 171 ? -22.598 32.083 33.091  1.000 45.285  ? 179 VAL HHH HG23 1 
ATOM   2434 N N    . HIS A 1 172 ? -19.544 34.926 30.127  1.000 39.690  ? 180 HIS HHH N    1 
ATOM   2435 C CA   . HIS A 1 172 ? -18.406 35.058 29.174  1.000 38.818  ? 180 HIS HHH CA   1 
ATOM   2436 C C    . HIS A 1 172 ? -17.128 35.142 29.993  1.000 39.749  ? 180 HIS HHH C    1 
ATOM   2437 O O    . HIS A 1 172 ? -17.014 36.099 30.760  1.000 39.584  ? 180 HIS HHH O    1 
ATOM   2438 C CB   . HIS A 1 172 ? -18.568 36.283 28.248  1.000 38.216  ? 180 HIS HHH CB   1 
ATOM   2439 C CG   . HIS A 1 172 ? -19.741 36.190 27.330  1.000 38.014  ? 180 HIS HHH CG   1 
ATOM   2440 N ND1  . HIS A 1 172 ? -19.899 35.135 26.415  1.000 36.951  ? 180 HIS HHH ND1  1 
ATOM   2441 C CD2  . HIS A 1 172 ? -20.839 36.962 27.203  1.000 38.904  ? 180 HIS HHH CD2  1 
ATOM   2442 C CE1  . HIS A 1 172 ? -21.025 35.288 25.754  1.000 38.019  ? 180 HIS HHH CE1  1 
ATOM   2443 N NE2  . HIS A 1 172 ? -21.627 36.400 26.205  1.000 39.333  ? 180 HIS HHH NE2  1 
ATOM   2444 H H    . HIS A 1 172 ? -19.604 35.620 30.715  1.000 40.058  ? 180 HIS HHH H    1 
ATOM   2445 H HA   . HIS A 1 172 ? -18.367 34.244 28.620  1.000 38.888  ? 180 HIS HHH HA   1 
ATOM   2446 H HB2  . HIS A 1 172 ? -18.661 37.089 28.801  1.000 38.231  ? 180 HIS HHH HB2  1 
ATOM   2447 H HB3  . HIS A 1 172 ? -17.751 36.383 27.709  1.000 37.324  ? 180 HIS HHH HB3  1 
ATOM   2448 H HD1  . HIS A 1 172 ? -19.368 34.477 26.271  0.000 30.000  ? 180 HIS HHH HD1  1 
ATOM   2449 H HD2  . HIS A 1 172 ? -21.031 37.743 27.686  1.000 39.077  ? 180 HIS HHH HD2  1 
ATOM   2450 H HE1  . HIS A 1 172 ? -21.349 34.720 25.076  1.000 38.777  ? 180 HIS HHH HE1  1 
ATOM   2451 H HE2  . HIS A 1 172 ? -22.409 36.753 25.945  0.000 30.000  ? 180 HIS HHH HE2  1 
ATOM   2452 N N    . THR A 1 173 ? -16.212 34.187 29.839  1.000 37.615  ? 181 THR HHH N    1 
ATOM   2453 C CA   . THR A 1 173 ? -14.881 34.254 30.455  1.000 37.343  ? 181 THR HHH CA   1 
ATOM   2454 C C    . THR A 1 173 ? -13.921 34.585 29.317  1.000 36.921  ? 181 THR HHH C    1 
ATOM   2455 O O    . THR A 1 173 ? -13.892 33.816 28.365  1.000 34.244  ? 181 THR HHH O    1 
ATOM   2456 C CB   . THR A 1 173 ? -14.586 32.978 31.250  1.000 39.267  ? 181 THR HHH CB   1 
ATOM   2457 O OG1  . THR A 1 173 ? -15.486 32.953 32.360  1.000 41.253  ? 181 THR HHH OG1  1 
ATOM   2458 C CG2  . THR A 1 173 ? -13.162 32.942 31.756  1.000 38.638  ? 181 THR HHH CG2  1 
ATOM   2459 H H    . THR A 1 173 ? -16.341 33.431 29.348  1.000 38.094  ? 181 THR HHH H    1 
ATOM   2460 H HA   . THR A 1 173 ? -14.879 35.009 31.085  1.000 37.853  ? 181 THR HHH HA   1 
ATOM   2461 H HB   . THR A 1 173 ? -14.751 32.195 30.673  1.000 39.078  ? 181 THR HHH HB   1 
ATOM   2462 H HG1  . THR A 1 173 ? -15.360 32.264 32.819  0.000 30.000  ? 181 THR HHH HG1  1 
ATOM   2463 H HG21 . THR A 1 173 ? -12.564 32.689 31.030  1.000 37.943  ? 181 THR HHH HG21 1 
ATOM   2464 H HG22 . THR A 1 173 ? -13.090 32.290 32.476  1.000 38.868  ? 181 THR HHH HG22 1 
ATOM   2465 H HG23 . THR A 1 173 ? -12.913 33.822 32.091  1.000 38.559  ? 181 THR HHH HG23 1 
ATOM   2466 N N    . PHE A 1 174 ? -13.252 35.738 29.378  1.000 34.600  ? 182 PHE HHH N    1 
ATOM   2467 C CA   . PHE A 1 174 ? -12.475 36.309 28.257  1.000 35.309  ? 182 PHE HHH CA   1 
ATOM   2468 C C    . PHE A 1 174 ? -11.074 35.707 28.244  1.000 36.760  ? 182 PHE HHH C    1 
ATOM   2469 O O    . PHE A 1 174 ? -10.559 35.321 29.295  1.000 34.866  ? 182 PHE HHH O    1 
ATOM   2470 C CB   . PHE A 1 174 ? -12.438 37.831 28.389  1.000 35.979  ? 182 PHE HHH CB   1 
ATOM   2471 C CG   . PHE A 1 174 ? -13.790 38.430 28.124  1.000 36.465  ? 182 PHE HHH CG   1 
ATOM   2472 C CD1  . PHE A 1 174 ? -14.729 38.580 29.143  1.000 35.924  ? 182 PHE HHH CD1  1 
ATOM   2473 C CD2  . PHE A 1 174 ? -14.160 38.758 26.830  1.000 36.996  ? 182 PHE HHH CD2  1 
ATOM   2474 C CE1  . PHE A 1 174 ? -15.977 39.113 28.873  1.000 36.758  ? 182 PHE HHH CE1  1 
ATOM   2475 C CE2  . PHE A 1 174 ? -15.410 39.283 26.570  1.000 34.665  ? 182 PHE HHH CE2  1 
ATOM   2476 C CZ   . PHE A 1 174 ? -16.310 39.453 27.584  1.000 36.325  ? 182 PHE HHH CZ   1 
ATOM   2477 H H    . PHE A 1 174 ? -13.220 36.257 30.126  1.000 35.557  ? 182 PHE HHH H    1 
ATOM   2478 H HA   . PHE A 1 174 ? -12.930 36.076 27.409  1.000 35.722  ? 182 PHE HHH HA   1 
ATOM   2479 H HB2  . PHE A 1 174 ? -12.145 38.069 29.294  1.000 35.830  ? 182 PHE HHH HB2  1 
ATOM   2480 H HB3  . PHE A 1 174 ? -11.791 38.191 27.751  1.000 35.586  ? 182 PHE HHH HB3  1 
ATOM   2481 H HD1  . PHE A 1 174 ? -14.498 38.352 30.028  1.000 36.072  ? 182 PHE HHH HD1  1 
ATOM   2482 H HD2  . PHE A 1 174 ? -13.541 38.646 26.126  1.000 35.755  ? 182 PHE HHH HD2  1 
ATOM   2483 H HE1  . PHE A 1 174 ? -16.602 39.231 29.571  1.000 37.151  ? 182 PHE HHH HE1  1 
ATOM   2484 H HE2  . PHE A 1 174 ? -15.643 39.521 25.690  1.000 36.105  ? 182 PHE HHH HE2  1 
ATOM   2485 H HZ   . PHE A 1 174 ? -17.163 39.812 27.399  1.000 37.068  ? 182 PHE HHH HZ   1 
ATOM   2486 N N    . PRO A 1 175 ? -10.427 35.583 27.061  1.000 36.629  ? 183 PRO HHH N    1 
ATOM   2487 C CA   . PRO A 1 175 ? -8.992  35.274 27.023  1.000 37.338  ? 183 PRO HHH CA   1 
ATOM   2488 C C    . PRO A 1 175 ? -8.198  36.277 27.869  1.000 35.385  ? 183 PRO HHH C    1 
ATOM   2489 O O    . PRO A 1 175 ? -8.516  37.448 27.834  1.000 36.550  ? 183 PRO HHH O    1 
ATOM   2490 C CB   . PRO A 1 175 ? -8.591  35.415 25.536  1.000 37.449  ? 183 PRO HHH CB   1 
ATOM   2491 C CG   . PRO A 1 175 ? -9.927  35.234 24.778  1.000 37.409  ? 183 PRO HHH CG   1 
ATOM   2492 C CD   . PRO A 1 175 ? -10.987 35.816 25.714  1.000 37.010  ? 183 PRO HHH CD   1 
ATOM   2493 H HA   . PRO A 1 175 ? -8.835  34.347 27.333  1.000 36.437  ? 183 PRO HHH HA   1 
ATOM   2494 H HB2  . PRO A 1 175 ? -8.203  36.297 25.355  1.000 37.450  ? 183 PRO HHH HB2  1 
ATOM   2495 H HB3  . PRO A 1 175 ? -7.945  34.723 25.278  1.000 36.856  ? 183 PRO HHH HB3  1 
ATOM   2496 H HG2  . PRO A 1 175 ? -9.911  35.718 23.927  1.000 37.591  ? 183 PRO HHH HG2  1 
ATOM   2497 H HG3  . PRO A 1 175 ? -10.102 34.287 24.601  1.000 37.173  ? 183 PRO HHH HG3  1 
ATOM   2498 H HD2  . PRO A 1 175 ? -11.118 36.768 25.549  1.000 37.565  ? 183 PRO HHH HD2  1 
ATOM   2499 H HD3  . PRO A 1 175 ? -11.839 35.355 25.605  1.000 37.543  ? 183 PRO HHH HD3  1 
ATOM   2500 N N    . ALA A 1 176 ? -7.183  35.786 28.581  1.000 34.743  ? 184 ALA HHH N    1 
ATOM   2501 C CA   . ALA A 1 176 ? -6.229  36.591 29.357  1.000 34.702  ? 184 ALA HHH CA   1 
ATOM   2502 C C    . ALA A 1 176 ? -5.461  37.531 28.426  1.000 35.542  ? 184 ALA HHH C    1 
ATOM   2503 O O    . ALA A 1 176 ? -5.284  37.223 27.261  1.000 33.350  ? 184 ALA HHH O    1 
ATOM   2504 C CB   . ALA A 1 176 ? -5.310  35.702 30.159  1.000 35.527  ? 184 ALA HHH CB   1 
ATOM   2505 H H    . ALA A 1 176 ? -7.003  34.894 28.631  1.000 34.469  ? 184 ALA HHH H    1 
ATOM   2506 H HA   . ALA A 1 176 ? -6.747  37.144 29.987  1.000 35.500  ? 184 ALA HHH HA   1 
ATOM   2507 H HB1  . ALA A 1 176 ? -4.896  36.220 30.870  1.000 35.569  ? 184 ALA HHH HB1  1 
ATOM   2508 H HB2  . ALA A 1 176 ? -5.820  34.972 30.548  1.000 35.184  ? 184 ALA HHH HB2  1 
ATOM   2509 H HB3  . ALA A 1 176 ? -4.620  35.341 29.579  1.000 34.887  ? 184 ALA HHH HB3  1 
ATOM   2510 N N    . VAL A 1 177 ? -5.120  38.704 28.945  1.000 35.450  ? 185 VAL HHH N    1 
ATOM   2511 C CA   . VAL A 1 177 ? -4.151  39.645 28.333  1.000 36.759  ? 185 VAL HHH CA   1 
ATOM   2512 C C    . VAL A 1 177 ? -2.867  39.576 29.164  1.000 36.646  ? 185 VAL HHH C    1 
ATOM   2513 O O    . VAL A 1 177 ? -2.930  39.329 30.405  1.000 35.456  ? 185 VAL HHH O    1 
ATOM   2514 C CB   . VAL A 1 177 ? -4.729  41.064 28.247  1.000 37.949  ? 185 VAL HHH CB   1 
ATOM   2515 C CG1  . VAL A 1 177 ? -6.014  41.047 27.452  1.000 39.913  ? 185 VAL HHH CG1  1 
ATOM   2516 C CG2  . VAL A 1 177 ? -4.960  41.713 29.603  1.000 37.867  ? 185 VAL HHH CG2  1 
ATOM   2517 H H    . VAL A 1 177 ? -5.461  39.002 29.734  1.000 36.105  ? 185 VAL HHH H    1 
ATOM   2518 H HA   . VAL A 1 177 ? -3.951  39.339 27.431  1.000 36.388  ? 185 VAL HHH HA   1 
ATOM   2519 H HB   . VAL A 1 177 ? -4.076  41.620 27.754  1.000 38.523  ? 185 VAL HHH HB   1 
ATOM   2520 H HG11 . VAL A 1 177 ? -5.893  40.510 26.649  1.000 38.970  ? 185 VAL HHH HG11 1 
ATOM   2521 H HG12 . VAL A 1 177 ? -6.253  41.956 27.200  1.000 39.852  ? 185 VAL HHH HG12 1 
ATOM   2522 H HG13 . VAL A 1 177 ? -6.726  40.664 27.993  1.000 39.096  ? 185 VAL HHH HG13 1 
ATOM   2523 H HG21 . VAL A 1 177 ? -5.565  41.163 30.129  1.000 37.784  ? 185 VAL HHH HG21 1 
ATOM   2524 H HG22 . VAL A 1 177 ? -5.353  42.594 29.477  1.000 38.572  ? 185 VAL HHH HG22 1 
ATOM   2525 H HG23 . VAL A 1 177 ? -4.113  41.802 30.072  1.000 38.269  ? 185 VAL HHH HG23 1 
ATOM   2526 N N    . LEU A 1 178 ? -1.739  39.703 28.475  1.000 39.474  ? 186 LEU HHH N    1 
ATOM   2527 C CA   . LEU A 1 178 ? -0.399  39.781 29.094  1.000 38.126  ? 186 LEU HHH CA   1 
ATOM   2528 C C    . LEU A 1 178 ? -0.136  41.265 29.301  1.000 37.733  ? 186 LEU HHH C    1 
ATOM   2529 O O    . LEU A 1 178 ? -0.033  41.978 28.316  1.000 36.390  ? 186 LEU HHH O    1 
ATOM   2530 C CB   . LEU A 1 178 ? 0.643   39.123 28.195  1.000 36.230  ? 186 LEU HHH CB   1 
ATOM   2531 C CG   . LEU A 1 178 ? 2.063   39.175 28.753  1.000 38.474  ? 186 LEU HHH CG   1 
ATOM   2532 C CD1  . LEU A 1 178 ? 2.107   38.693 30.210  1.000 40.718  ? 186 LEU HHH CD1  1 
ATOM   2533 C CD2  . LEU A 1 178 ? 3.003   38.328 27.899  1.000 37.713  ? 186 LEU HHH CD2  1 
ATOM   2534 H H    . LEU A 1 178 ? -1.724  39.754 27.566  1.000 38.336  ? 186 LEU HHH H    1 
ATOM   2535 H HA   . LEU A 1 178 ? -0.425  39.328 29.968  1.000 37.719  ? 186 LEU HHH HA   1 
ATOM   2536 H HB2  . LEU A 1 178 ? 0.393   38.187 28.059  1.000 36.277  ? 186 LEU HHH HB2  1 
ATOM   2537 H HB3  . LEU A 1 178 ? 0.631   39.566 27.324  1.000 37.198  ? 186 LEU HHH HB3  1 
ATOM   2538 H HG   . LEU A 1 178 ? 2.377   40.112 28.725  1.000 39.298  ? 186 LEU HHH HG   1 
ATOM   2539 H HD11 . LEU A 1 178 ? 1.842   39.419 30.801  1.000 40.557  ? 186 LEU HHH HD11 1 
ATOM   2540 H HD12 . LEU A 1 178 ? 3.011   38.410 30.432  1.000 40.303  ? 186 LEU HHH HD12 1 
ATOM   2541 H HD13 . LEU A 1 178 ? 1.497   37.944 30.323  1.000 39.323  ? 186 LEU HHH HD13 1 
ATOM   2542 H HD21 . LEU A 1 178 ? 2.734   37.394 27.948  1.000 37.112  ? 186 LEU HHH HD21 1 
ATOM   2543 H HD22 . LEU A 1 178 ? 3.913   38.421 28.228  1.000 38.420  ? 186 LEU HHH HD22 1 
ATOM   2544 H HD23 . LEU A 1 178 ? 2.961   38.629 26.975  1.000 37.955  ? 186 LEU HHH HD23 1 
ATOM   2545 N N    . GLN A 1 179 ? -0.149  41.705 30.551  1.000 37.688  ? 187 GLN HHH N    1 
ATOM   2546 C CA   . GLN A 1 179 ? 0.101   43.115 30.913  1.000 40.272  ? 187 GLN HHH CA   1 
ATOM   2547 C C    . GLN A 1 179 ? 1.590   43.433 30.700  1.000 41.044  ? 187 GLN HHH C    1 
ATOM   2548 O O    . GLN A 1 179 ? 2.406   42.490 30.529  1.000 39.503  ? 187 GLN HHH O    1 
ATOM   2549 C CB   . GLN A 1 179 ? -0.378  43.380 32.347  1.000 42.787  ? 187 GLN HHH CB   1 
ATOM   2550 C CG   . GLN A 1 179 ? -1.873  43.147 32.578  1.000 41.761  ? 187 GLN HHH CG   1 
ATOM   2551 C CD   . GLN A 1 179 ? -2.154  43.121 34.058  1.000 44.079  ? 187 GLN HHH CD   1 
ATOM   2552 O OE1  . GLN A 1 179 ? -2.790  44.012 34.592  1.000 46.213  ? 187 GLN HHH OE1  1 
ATOM   2553 N NE2  . GLN A 1 179 ? -1.658  42.103 34.754  1.000 45.637  ? 187 GLN HHH NE2  1 
ATOM   2554 H H    . GLN A 1 179 ? -0.305  41.160 31.265  1.000 37.923  ? 187 GLN HHH H    1 
ATOM   2555 H HA   . GLN A 1 179 ? -0.422  43.681 30.303  1.000 40.471  ? 187 GLN HHH HA   1 
ATOM   2556 H HB2  . GLN A 1 179 ? 0.134   42.808 32.954  1.000 42.210  ? 187 GLN HHH HB2  1 
ATOM   2557 H HB3  . GLN A 1 179 ? -0.168  44.310 32.572  1.000 43.140  ? 187 GLN HHH HB3  1 
ATOM   2558 H HG2  . GLN A 1 179 ? -2.391  43.865 32.157  1.000 42.493  ? 187 GLN HHH HG2  1 
ATOM   2559 H HG3  . GLN A 1 179 ? -2.143  42.294 32.177  1.000 41.443  ? 187 GLN HHH HG3  1 
ATOM   2560 H HE21 . GLN A 1 179 ? -1.807  42.081 35.638  0.000 30.000  ? 187 GLN HHH HE21 1 
ATOM   2561 H HE22 . GLN A 1 179 ? -1.203  41.481 34.366  0.000 30.000  ? 187 GLN HHH HE22 1 
ATOM   2562 N N    . SER A 1 180 ? 1.935   44.722 30.633  1.000 41.150  ? 188 SER HHH N    1 
ATOM   2563 C CA   . SER A 1 180 ? 3.321   45.153 30.376  1.000 44.216  ? 188 SER HHH CA   1 
ATOM   2564 C C    . SER A 1 180 ? 4.178   44.788 31.601  1.000 44.768  ? 188 SER HHH C    1 
ATOM   2565 O O    . SER A 1 180 ? 5.402   44.683 31.447  1.000 46.550  ? 188 SER HHH O    1 
ATOM   2566 C CB   . SER A 1 180 ? 3.381   46.608 30.006  1.000 47.230  ? 188 SER HHH CB   1 
ATOM   2567 O OG   . SER A 1 180 ? 2.856   47.405 31.055  1.000 48.939  ? 188 SER HHH OG   1 
ATOM   2568 H H    . SER A 1 180 ? 1.355   45.417 30.740  1.000 42.199  ? 188 SER HHH H    1 
ATOM   2569 H HA   . SER A 1 180 ? 3.659   44.630 29.602  1.000 43.718  ? 188 SER HHH HA   1 
ATOM   2570 H HB2  . SER A 1 180 ? 4.315   46.864 29.832  1.000 48.037  ? 188 SER HHH HB2  1 
ATOM   2571 H HB3  . SER A 1 180 ? 2.861   46.760 29.184  1.000 46.799  ? 188 SER HHH HB3  1 
ATOM   2572 H HG   . SER A 1 180 ? 2.898   48.216 30.852  0.000 30.000  ? 188 SER HHH HG   1 
ATOM   2573 N N    . SER A 1 181 ? 3.554   44.572 32.767  1.000 43.346  ? 189 SER HHH N    1 
ATOM   2574 C CA   . SER A 1 181 ? 4.212   44.030 33.993  1.000 44.067  ? 189 SER HHH CA   1 
ATOM   2575 C C    . SER A 1 181 ? 4.709   42.586 33.784  1.000 40.925  ? 189 SER HHH C    1 
ATOM   2576 O O    . SER A 1 181 ? 5.458   42.110 34.591  1.000 42.938  ? 189 SER HHH O    1 
ATOM   2577 C CB   . SER A 1 181 ? 3.287   44.087 35.182  1.000 44.291  ? 189 SER HHH CB   1 
ATOM   2578 O OG   . SER A 1 181 ? 2.183   43.213 35.001  1.000 43.186  ? 189 SER HHH OG   1 
ATOM   2579 H H    . SER A 1 181 ? 2.675   44.766 32.907  1.000 43.313  ? 189 SER HHH H    1 
ATOM   2580 H HA   . SER A 1 181 ? 5.003   44.600 34.189  1.000 44.854  ? 189 SER HHH HA   1 
ATOM   2581 H HB2  . SER A 1 181 ? 3.780   43.830 35.994  1.000 44.949  ? 189 SER HHH HB2  1 
ATOM   2582 H HB3  . SER A 1 181 ? 2.961   45.009 35.299  1.000 44.978  ? 189 SER HHH HB3  1 
ATOM   2583 H HG   . SER A 1 181 ? 1.685   43.261 35.673  0.000 30.000  ? 189 SER HHH HG   1 
ATOM   2584 N N    . GLY A 1 182 ? 4.320   41.901 32.729  1.000 38.033  ? 190 GLY HHH N    1 
ATOM   2585 C CA   . GLY A 1 182 ? 4.620   40.470 32.581  1.000 36.522  ? 190 GLY HHH CA   1 
ATOM   2586 C C    . GLY A 1 182 ? 3.629   39.587 33.328  1.000 35.796  ? 190 GLY HHH C    1 
ATOM   2587 O O    . GLY A 1 182 ? 3.815   38.360 33.311  1.000 34.391  ? 190 GLY HHH O    1 
ATOM   2588 H H    . GLY A 1 182 ? 3.840   42.263 32.048  1.000 38.001  ? 190 GLY HHH H    1 
ATOM   2589 H HA2  . GLY A 1 182 ? 4.600   40.237 31.618  1.000 36.093  ? 190 GLY HHH HA2  1 
ATOM   2590 H HA3  . GLY A 1 182 ? 5.534   40.293 32.917  1.000 37.329  ? 190 GLY HHH HA3  1 
ATOM   2591 N N    . LEU A 1 183 ? 2.630   40.173 33.996  1.000 36.842  ? 191 LEU HHH N    1 
ATOM   2592 C CA   . LEU A 1 183 ? 1.578   39.396 34.686  1.000 36.821  ? 191 LEU HHH CA   1 
ATOM   2593 C C    . LEU A 1 183 ? 0.307   39.421 33.841  1.000 35.992  ? 191 LEU HHH C    1 
ATOM   2594 O O    . LEU A 1 183 ? 0.063   40.403 33.150  1.000 34.949  ? 191 LEU HHH O    1 
ATOM   2595 C CB   . LEU A 1 183 ? 1.341   39.970 36.082  1.000 38.006  ? 191 LEU HHH CB   1 
ATOM   2596 C CG   . LEU A 1 183 ? 2.571   40.022 36.996  1.000 40.462  ? 191 LEU HHH CG   1 
ATOM   2597 C CD1  . LEU A 1 183 ? 2.155   40.532 38.377  1.000 42.536  ? 191 LEU HHH CD1  1 
ATOM   2598 C CD2  . LEU A 1 183 ? 3.243   38.668 37.106  1.000 40.667  ? 191 LEU HHH CD2  1 
ATOM   2599 H H    . LEU A 1 183 ? 2.529   41.074 34.061  1.000 37.382  ? 191 LEU HHH H    1 
ATOM   2600 H HA   . LEU A 1 183 ? 1.880   38.462 34.766  1.000 36.388  ? 191 LEU HHH HA   1 
ATOM   2601 H HB2  . LEU A 1 183 ? 0.988   40.877 35.986  1.000 38.588  ? 191 LEU HHH HB2  1 
ATOM   2602 H HB3  . LEU A 1 183 ? 0.654   39.431 36.522  1.000 37.969  ? 191 LEU HHH HB3  1 
ATOM   2603 H HG   . LEU A 1 183 ? 3.219   40.661 36.610  1.000 40.995  ? 191 LEU HHH HG   1 
ATOM   2604 H HD11 . LEU A 1 183 ? 1.765   41.419 38.292  1.000 42.529  ? 191 LEU HHH HD11 1 
ATOM   2605 H HD12 . LEU A 1 183 ? 2.936   40.576 38.956  1.000 43.233  ? 191 LEU HHH HD12 1 
ATOM   2606 H HD13 . LEU A 1 183 ? 1.500   39.925 38.764  1.000 41.909  ? 191 LEU HHH HD13 1 
ATOM   2607 H HD21 . LEU A 1 183 ? 2.570   37.983 37.262  1.000 39.890  ? 191 LEU HHH HD21 1 
ATOM   2608 H HD22 . LEU A 1 183 ? 3.873   38.677 37.848  1.000 41.469  ? 191 LEU HHH HD22 1 
ATOM   2609 H HD23 . LEU A 1 183 ? 3.719   38.472 36.280  1.000 40.009  ? 191 LEU HHH HD23 1 
ATOM   2610 N N    . TYR A 1 184 ? -0.488  38.370 33.928  1.000 35.358  ? 192 TYR HHH N    1 
ATOM   2611 C CA   . TYR A 1 184 ? -1.741  38.248 33.158  1.000 35.252  ? 192 TYR HHH CA   1 
ATOM   2612 C C    . TYR A 1 184 ? -2.897  38.866 33.945  1.000 37.799  ? 192 TYR HHH C    1 
ATOM   2613 O O    . TYR A 1 184 ? -2.882  38.955 35.233  1.000 35.937  ? 192 TYR HHH O    1 
ATOM   2614 C CB   . TYR A 1 184 ? -2.029  36.793 32.821  1.000 34.427  ? 192 TYR HHH CB   1 
ATOM   2615 C CG   . TYR A 1 184 ? -1.001  36.148 31.932  1.000 34.085  ? 192 TYR HHH CG   1 
ATOM   2616 C CD1  . TYR A 1 184 ? -1.121  36.237 30.551  1.000 32.884  ? 192 TYR HHH CD1  1 
ATOM   2617 C CD2  . TYR A 1 184 ? 0.099   35.465 32.459  1.000 36.167  ? 192 TYR HHH CD2  1 
ATOM   2618 C CE1  . TYR A 1 184 ? -0.210  35.629 29.703  1.000 33.130  ? 192 TYR HHH CE1  1 
ATOM   2619 C CE2  . TYR A 1 184 ? 1.029   34.855 31.622  1.000 35.601  ? 192 TYR HHH CE2  1 
ATOM   2620 C CZ   . TYR A 1 184 ? 0.871   34.948 30.241  1.000 36.022  ? 192 TYR HHH CZ   1 
ATOM   2621 O OH   . TYR A 1 184 ? 1.741   34.378 29.367  1.000 37.796  ? 192 TYR HHH OH   1 
ATOM   2622 H H    . TYR A 1 184 ? -0.327  37.653 34.467  1.000 35.476  ? 192 TYR HHH H    1 
ATOM   2623 H HA   . TYR A 1 184 ? -1.637  38.749 32.312  1.000 35.413  ? 192 TYR HHH HA   1 
ATOM   2624 H HB2  . TYR A 1 184 ? -2.086  36.287 33.659  1.000 34.678  ? 192 TYR HHH HB2  1 
ATOM   2625 H HB3  . TYR A 1 184 ? -2.904  36.744 32.382  1.000 34.133  ? 192 TYR HHH HB3  1 
ATOM   2626 H HD1  . TYR A 1 184 ? -1.862  36.688 30.182  1.000 33.334  ? 192 TYR HHH HD1  1 
ATOM   2627 H HD2  . TYR A 1 184 ? 0.199   35.393 33.394  1.000 36.122  ? 192 TYR HHH HD2  1 
ATOM   2628 H HE1  . TYR A 1 184 ? -0.313  35.694 28.768  1.000 33.460  ? 192 TYR HHH HE1  1 
ATOM   2629 H HE2  . TYR A 1 184 ? 1.763   34.389 31.986  1.000 35.943  ? 192 TYR HHH HE2  1 
ATOM   2630 H HH   . TYR A 1 184 ? 2.072   34.976 28.870  0.000 30.000  ? 192 TYR HHH HH   1 
ATOM   2631 N N    . SER A 1 185 ? -3.936  39.203 33.181  1.000 37.093  ? 193 SER HHH N    1 
ATOM   2632 C CA   . SER A 1 185 ? -5.234  39.647 33.731  1.000 37.921  ? 193 SER HHH CA   1 
ATOM   2633 C C    . SER A 1 185 ? -6.373  39.152 32.844  1.000 37.493  ? 193 SER HHH C    1 
ATOM   2634 O O    . SER A 1 185 ? -6.208  39.077 31.618  1.000 37.157  ? 193 SER HHH O    1 
ATOM   2635 C CB   . SER A 1 185 ? -5.225  41.149 33.893  1.000 38.937  ? 193 SER HHH CB   1 
ATOM   2636 O OG   . SER A 1 185 ? -6.452  41.570 34.421  1.000 43.455  ? 193 SER HHH OG   1 
ATOM   2637 H H    . SER A 1 185 ? -3.924  39.190 32.270  1.000 36.888  ? 193 SER HHH H    1 
ATOM   2638 H HA   . SER A 1 185 ? -5.341  39.237 34.629  1.000 38.181  ? 193 SER HHH HA   1 
ATOM   2639 H HB2  . SER A 1 185 ? -4.495  41.413 34.497  1.000 40.309  ? 193 SER HHH HB2  1 
ATOM   2640 H HB3  . SER A 1 185 ? -5.075  41.575 33.019  1.000 39.671  ? 193 SER HHH HB3  1 
ATOM   2641 H HG   . SER A 1 185 ? -6.393  42.434 34.495  0.000 30.000  ? 193 SER HHH HG   1 
ATOM   2642 N N    . LEU A 1 186 ? -7.492  38.808 33.455  1.000 37.281  ? 194 LEU HHH N    1 
ATOM   2643 C CA   . LEU A 1 186 ? -8.639  38.179 32.771  1.000 37.185  ? 194 LEU HHH CA   1 
ATOM   2644 C C    . LEU A 1 186 ? -9.899  38.705 33.442  1.000 37.501  ? 194 LEU HHH C    1 
ATOM   2645 O O    . LEU A 1 186 ? -9.847  38.999 34.677  1.000 37.594  ? 194 LEU HHH O    1 
ATOM   2646 C CB   . LEU A 1 186 ? -8.445  36.663 32.921  1.000 38.428  ? 194 LEU HHH CB   1 
ATOM   2647 C CG   . LEU A 1 186 ? -9.625  35.739 32.684  1.000 40.743  ? 194 LEU HHH CG   1 
ATOM   2648 C CD1  . LEU A 1 186 ? -9.101  34.345 32.374  1.000 43.608  ? 194 LEU HHH CD1  1 
ATOM   2649 C CD2  . LEU A 1 186 ? -10.552 35.682 33.884  1.000 40.838  ? 194 LEU HHH CD2  1 
ATOM   2650 H H    . LEU A 1 186 ? -7.621  38.937 34.348  1.000 37.929  ? 194 LEU HHH H    1 
ATOM   2651 H HA   . LEU A 1 186 ? -8.636  38.435 31.820  1.000 37.095  ? 194 LEU HHH HA   1 
ATOM   2652 H HB2  . LEU A 1 186 ? -7.731  36.397 32.307  1.000 38.059  ? 194 LEU HHH HB2  1 
ATOM   2653 H HB3  . LEU A 1 186 ? -8.115  36.496 33.826  1.000 38.857  ? 194 LEU HHH HB3  1 
ATOM   2654 H HG   . LEU A 1 186 ? -10.134 36.068 31.903  1.000 40.691  ? 194 LEU HHH HG   1 
ATOM   2655 H HD11 . LEU A 1 186 ? -8.711  34.335 31.483  1.000 42.020  ? 194 LEU HHH HD11 1 
ATOM   2656 H HD12 . LEU A 1 186 ? -9.833  33.706 32.415  1.000 42.745  ? 194 LEU HHH HD12 1 
ATOM   2657 H HD13 . LEU A 1 186 ? -8.422  34.102 33.026  1.000 42.568  ? 194 LEU HHH HD13 1 
ATOM   2658 H HD21 . LEU A 1 186 ? -10.107 35.221 34.616  1.000 41.252  ? 194 LEU HHH HD21 1 
ATOM   2659 H HD22 . LEU A 1 186 ? -11.362 35.199 33.644  1.000 41.251  ? 194 LEU HHH HD22 1 
ATOM   2660 H HD23 . LEU A 1 186 ? -10.785 36.581 34.165  1.000 41.427  ? 194 LEU HHH HD23 1 
ATOM   2661 N N    . SER A 1 187 ? -10.976 38.850 32.678  1.000 35.951  ? 195 SER HHH N    1 
ATOM   2662 C CA   . SER A 1 187 ? -12.318 39.144 33.238  1.000 38.354  ? 195 SER HHH CA   1 
ATOM   2663 C C    . SER A 1 187 ? -13.275 37.974 32.969  1.000 37.113  ? 195 SER HHH C    1 
ATOM   2664 O O    . SER A 1 187 ? -13.153 37.275 31.912  1.000 35.453  ? 195 SER HHH O    1 
ATOM   2665 C CB   . SER A 1 187 ? -12.855 40.429 32.673  1.000 41.134  ? 195 SER HHH CB   1 
ATOM   2666 O OG   . SER A 1 187 ? -12.987 40.289 31.275  1.000 42.404  ? 195 SER HHH OG   1 
ATOM   2667 H H    . SER A 1 187 ? -10.976 38.781 31.770  1.000 36.370  ? 195 SER HHH H    1 
ATOM   2668 H HA   . SER A 1 187 ? -12.227 39.249 34.222  1.000 38.629  ? 195 SER HHH HA   1 
ATOM   2669 H HB2  . SER A 1 187 ? -13.730 40.630 33.074  1.000 41.521  ? 195 SER HHH HB2  1 
ATOM   2670 H HB3  . SER A 1 187 ? -12.238 41.167 32.880  1.000 40.998  ? 195 SER HHH HB3  1 
ATOM   2671 H HG   . SER A 1 187 ? -13.301 41.012 30.987  0.000 30.000  ? 195 SER HHH HG   1 
ATOM   2672 N N    . SER A 1 188 ? -14.223 37.762 33.874  1.000 37.023  ? 196 SER HHH N    1 
ATOM   2673 C CA   . SER A 1 188 ? -15.348 36.840 33.630  1.000 38.109  ? 196 SER HHH CA   1 
ATOM   2674 C C    . SER A 1 188 ? -16.614 37.577 34.011  1.000 38.008  ? 196 SER HHH C    1 
ATOM   2675 O O    . SER A 1 188 ? -16.655 38.138 35.110  1.000 36.585  ? 196 SER HHH O    1 
ATOM   2676 C CB   . SER A 1 188 ? -15.167 35.522 34.376  1.000 40.779  ? 196 SER HHH CB   1 
ATOM   2677 O OG   . SER A 1 188 ? -16.300 34.690 34.194  1.000 39.877  ? 196 SER HHH OG   1 
ATOM   2678 H H    . SER A 1 188 ? -14.248 38.152 34.697  1.000 37.849  ? 196 SER HHH H    1 
ATOM   2679 H HA   . SER A 1 188 ? -15.384 36.647 32.657  1.000 37.821  ? 196 SER HHH HA   1 
ATOM   2680 H HB2  . SER A 1 188 ? -14.363 35.064 34.041  1.000 39.076  ? 196 SER HHH HB2  1 
ATOM   2681 H HB3  . SER A 1 188 ? -15.041 35.703 35.335  1.000 40.238  ? 196 SER HHH HB3  1 
ATOM   2682 H HG   . SER A 1 188 ? -16.172 33.961 34.612  0.000 30.000  ? 196 SER HHH HG   1 
ATOM   2683 N N    . VAL A 1 189 ? -17.586 37.613 33.101  1.000 38.074  ? 197 VAL HHH N    1 
ATOM   2684 C CA   . VAL A 1 189 ? -18.852 38.363 33.312  1.000 40.529  ? 197 VAL HHH CA   1 
ATOM   2685 C C    . VAL A 1 189 ? -20.027 37.409 33.110  1.000 40.527  ? 197 VAL HHH C    1 
ATOM   2686 O O    . VAL A 1 189 ? -19.865 36.345 32.456  1.000 38.907  ? 197 VAL HHH O    1 
ATOM   2687 C CB   . VAL A 1 189 ? -18.940 39.572 32.370  1.000 40.164  ? 197 VAL HHH CB   1 
ATOM   2688 C CG1  . VAL A 1 189 ? -17.671 40.407 32.487  1.000 39.771  ? 197 VAL HHH CG1  1 
ATOM   2689 C CG2  . VAL A 1 189 ? -19.187 39.115 30.931  1.000 41.038  ? 197 VAL HHH CG2  1 
ATOM   2690 H H    . VAL A 1 189 ? -17.539 37.176 32.304  1.000 38.116  ? 197 VAL HHH H    1 
ATOM   2691 H HA   . VAL A 1 189 ? -18.870 38.683 34.229  1.000 40.434  ? 197 VAL HHH HA   1 
ATOM   2692 H HB   . VAL A 1 189 ? -19.706 40.128 32.656  1.000 41.287  ? 197 VAL HHH HB   1 
ATOM   2693 H HG11 . VAL A 1 189 ? -17.407 40.468 33.421  1.000 39.758  ? 197 VAL HHH HG11 1 
ATOM   2694 H HG12 . VAL A 1 189 ? -17.836 41.300 32.138  1.000 39.855  ? 197 VAL HHH HG12 1 
ATOM   2695 H HG13 . VAL A 1 189 ? -16.957 39.987 31.976  1.000 38.905  ? 197 VAL HHH HG13 1 
ATOM   2696 H HG21 . VAL A 1 189 ? -18.676 38.308 30.752  1.000 40.131  ? 197 VAL HHH HG21 1 
ATOM   2697 H HG22 . VAL A 1 189 ? -18.908 39.816 30.316  1.000 40.472  ? 197 VAL HHH HG22 1 
ATOM   2698 H HG23 . VAL A 1 189 ? -20.134 38.934 30.804  1.000 41.510  ? 197 VAL HHH HG23 1 
ATOM   2699 N N    . VAL A 1 190 ? -21.155 37.810 33.653  1.000 40.642  ? 198 VAL HHH N    1 
ATOM   2700 C CA   . VAL A 1 190 ? -22.435 37.109 33.456  1.000 44.414  ? 198 VAL HHH CA   1 
ATOM   2701 C C    . VAL A 1 190 ? -23.523 38.168 33.483  1.000 45.694  ? 198 VAL HHH C    1 
ATOM   2702 O O    . VAL A 1 190 ? -23.425 39.123 34.264  1.000 48.165  ? 198 VAL HHH O    1 
ATOM   2703 C CB   . VAL A 1 190 ? -22.595 36.008 34.519  1.000 46.245  ? 198 VAL HHH CB   1 
ATOM   2704 C CG1  . VAL A 1 190 ? -22.547 36.589 35.932  1.000 47.052  ? 198 VAL HHH CG1  1 
ATOM   2705 C CG2  . VAL A 1 190 ? -23.857 35.181 34.296  1.000 47.979  ? 198 VAL HHH CG2  1 
ATOM   2706 H H    . VAL A 1 190 ? -21.213 38.545 34.189  1.000 41.751  ? 198 VAL HHH H    1 
ATOM   2707 H HA   . VAL A 1 190 ? -22.426 36.694 32.578  1.000 43.879  ? 198 VAL HHH HA   1 
ATOM   2708 H HB   . VAL A 1 190 ? -21.822 35.398 34.424  1.000 45.316  ? 198 VAL HHH HB   1 
ATOM   2709 H HG11 . VAL A 1 190 ? -21.751 37.138 36.033  1.000 46.094  ? 198 VAL HHH HG11 1 
ATOM   2710 H HG12 . VAL A 1 190 ? -22.522 35.863 36.580  1.000 47.467  ? 198 VAL HHH HG12 1 
ATOM   2711 H HG13 . VAL A 1 190 ? -23.338 37.133 36.088  1.000 47.862  ? 198 VAL HHH HG13 1 
ATOM   2712 H HG21 . VAL A 1 190 ? -24.635 35.694 34.576  1.000 48.899  ? 198 VAL HHH HG21 1 
ATOM   2713 H HG22 . VAL A 1 190 ? -23.805 34.361 34.817  1.000 48.319  ? 198 VAL HHH HG22 1 
ATOM   2714 H HG23 . VAL A 1 190 ? -23.938 34.960 33.352  1.000 47.670  ? 198 VAL HHH HG23 1 
ATOM   2715 N N    . THR A 1 191 ? -24.476 38.024 32.575  1.000 48.010  ? 199 THR HHH N    1 
ATOM   2716 C CA   . THR A 1 191 ? -25.750 38.782 32.507  1.000 49.905  ? 199 THR HHH CA   1 
ATOM   2717 C C    . THR A 1 191 ? -26.832 37.965 33.230  1.000 49.723  ? 199 THR HHH C    1 
ATOM   2718 O O    . THR A 1 191 ? -26.965 36.761 32.975  1.000 49.307  ? 199 THR HHH O    1 
ATOM   2719 C CB   . THR A 1 191 ? -26.051 39.162 31.050  1.000 50.875  ? 199 THR HHH CB   1 
ATOM   2720 O OG1  . THR A 1 191 ? -26.004 37.980 30.255  1.000 53.200  ? 199 THR HHH OG1  1 
ATOM   2721 C CG2  . THR A 1 191 ? -25.020 40.121 30.493  1.000 50.693  ? 199 THR HHH CG2  1 
ATOM   2722 H H    . THR A 1 191 ? -24.410 37.419 31.897  1.000 47.543  ? 199 THR HHH H    1 
ATOM   2723 H HA   . THR A 1 191 ? -25.616 39.614 33.008  1.000 49.532  ? 199 THR HHH HA   1 
ATOM   2724 H HB   . THR A 1 191 ? -26.949 39.567 30.996  1.000 52.511  ? 199 THR HHH HB   1 
ATOM   2725 H HG1  . THR A 1 191 ? -26.158 38.225 29.443  0.000 30.000  ? 199 THR HHH HG1  1 
ATOM   2726 H HG21 . THR A 1 191 ? -24.908 40.871 31.105  1.000 50.286  ? 199 THR HHH HG21 1 
ATOM   2727 H HG22 . THR A 1 191 ? -25.317 40.452 29.627  1.000 50.647  ? 199 THR HHH HG22 1 
ATOM   2728 H HG23 . THR A 1 191 ? -24.168 39.659 30.389  1.000 49.292  ? 199 THR HHH HG23 1 
ATOM   2729 N N    . VAL A 1 192 ? -27.562 38.615 34.122  1.000 51.133  ? 200 VAL HHH N    1 
ATOM   2730 C CA   . VAL A 1 192 ? -28.631 37.994 34.950  1.000 53.757  ? 200 VAL HHH CA   1 
ATOM   2731 C C    . VAL A 1 192 ? -29.813 38.946 34.895  1.000 55.584  ? 200 VAL HHH C    1 
ATOM   2732 O O    . VAL A 1 192 ? -29.602 40.098 34.534  1.000 54.385  ? 200 VAL HHH O    1 
ATOM   2733 C CB   . VAL A 1 192 ? -28.139 37.767 36.394  1.000 53.187  ? 200 VAL HHH CB   1 
ATOM   2734 C CG1  . VAL A 1 192 ? -26.918 36.844 36.436  1.000 53.064  ? 200 VAL HHH CG1  1 
ATOM   2735 C CG2  . VAL A 1 192 ? -27.853 39.086 37.104  1.000 51.144  ? 200 VAL HHH CG2  1 
ATOM   2736 H H    . VAL A 1 192 ? -27.456 39.506 34.280  1.000 51.020  ? 200 VAL HHH H    1 
ATOM   2737 H HA   . VAL A 1 192 ? -28.885 37.141 34.557  1.000 54.000  ? 200 VAL HHH HA   1 
ATOM   2738 H HB   . VAL A 1 192 ? -28.871 37.317 36.885  1.000 54.656  ? 200 VAL HHH HB   1 
ATOM   2739 H HG11 . VAL A 1 192 ? -27.165 35.962 36.109  1.000 53.069  ? 200 VAL HHH HG11 1 
ATOM   2740 H HG12 . VAL A 1 192 ? -26.597 36.771 37.350  1.000 52.780  ? 200 VAL HHH HG12 1 
ATOM   2741 H HG13 . VAL A 1 192 ? -26.212 37.211 35.876  1.000 51.312  ? 200 VAL HHH HG13 1 
ATOM   2742 H HG21 . VAL A 1 192 ? -27.344 39.671 36.517  1.000 50.573  ? 200 VAL HHH HG21 1 
ATOM   2743 H HG22 . VAL A 1 192 ? -27.338 38.915 37.912  1.000 51.510  ? 200 VAL HHH HG22 1 
ATOM   2744 H HG23 . VAL A 1 192 ? -28.691 39.517 37.343  1.000 52.883  ? 200 VAL HHH HG23 1 
ATOM   2745 N N    . PRO A 1 193 ? -31.053 38.491 35.218  1.000 58.273  ? 201 PRO HHH N    1 
ATOM   2746 C CA   . PRO A 1 193 ? -32.171 39.395 35.492  1.000 61.588  ? 201 PRO HHH CA   1 
ATOM   2747 C C    . PRO A 1 193 ? -31.846 40.372 36.633  1.000 63.053  ? 201 PRO HHH C    1 
ATOM   2748 O O    . PRO A 1 193 ? -31.312 39.925 37.623  1.000 61.982  ? 201 PRO HHH O    1 
ATOM   2749 C CB   . PRO A 1 193 ? -33.309 38.461 35.926  1.000 63.996  ? 201 PRO HHH CB   1 
ATOM   2750 C CG   . PRO A 1 193 ? -32.952 37.117 35.313  1.000 63.199  ? 201 PRO HHH CG   1 
ATOM   2751 C CD   . PRO A 1 193 ? -31.438 37.076 35.295  1.000 59.613  ? 201 PRO HHH CD   1 
ATOM   2752 H HA   . PRO A 1 193 ? -32.424 39.883 34.669  1.000 61.570  ? 201 PRO HHH HA   1 
ATOM   2753 H HB2  . PRO A 1 193 ? -33.358 38.395 36.904  1.000 64.487  ? 201 PRO HHH HB2  1 
ATOM   2754 H HB3  . PRO A 1 193 ? -34.172 38.781 35.587  1.000 65.137  ? 201 PRO HHH HB3  1 
ATOM   2755 H HG2  . PRO A 1 193 ? -33.311 36.384 35.852  1.000 64.230  ? 201 PRO HHH HG2  1 
ATOM   2756 H HG3  . PRO A 1 193 ? -33.310 37.045 34.405  1.000 63.335  ? 201 PRO HHH HG3  1 
ATOM   2757 H HD2  . PRO A 1 193 ? -31.088 36.662 36.105  1.000 59.766  ? 201 PRO HHH HD2  1 
ATOM   2758 H HD3  . PRO A 1 193 ? -31.111 36.583 34.520  1.000 59.104  ? 201 PRO HHH HD3  1 
ATOM   2759 N N    . SER A 1 194 ? -32.118 41.667 36.436  1.000 65.311  ? 202 SER HHH N    1 
ATOM   2760 C CA   . SER A 1 194 ? -32.014 42.758 37.451  1.000 68.927  ? 202 SER HHH CA   1 
ATOM   2761 C C    . SER A 1 194 ? -32.804 42.398 38.713  1.000 70.339  ? 202 SER HHH C    1 
ATOM   2762 O O    . SER A 1 194 ? -32.333 42.718 39.803  1.000 68.262  ? 202 SER HHH O    1 
ATOM   2763 C CB   . SER A 1 194 ? -32.529 44.078 36.923  1.000 71.232  ? 202 SER HHH CB   1 
ATOM   2764 O OG   . SER A 1 194 ? -31.823 44.455 35.755  1.000 73.242  ? 202 SER HHH OG   1 
ATOM   2765 H H    . SER A 1 194 ? -32.397 41.985 35.629  1.000 65.608  ? 202 SER HHH H    1 
ATOM   2766 H HA   . SER A 1 194 ? -31.056 42.864 37.699  1.000 67.170  ? 202 SER HHH HA   1 
ATOM   2767 H HB2  . SER A 1 194 ? -33.488 43.996 36.717  1.000 72.969  ? 202 SER HHH HB2  1 
ATOM   2768 H HB3  . SER A 1 194 ? -32.420 44.772 37.612  1.000 71.658  ? 202 SER HHH HB3  1 
ATOM   2769 H HG   . SER A 1 194 ? -32.171 45.147 35.466  0.000 30.000  ? 202 SER HHH HG   1 
ATOM   2770 N N    . SER A 1 195 ? -33.982 41.794 38.567  1.000 72.034  ? 203 SER HHH N    1 
ATOM   2771 C CA   . SER A 1 195 ? -34.827 41.383 39.716  1.000 75.687  ? 203 SER HHH CA   1 
ATOM   2772 C C    . SER A 1 195 ? -34.080 40.354 40.579  1.000 77.539  ? 203 SER HHH C    1 
ATOM   2773 O O    . SER A 1 195 ? -34.312 40.368 41.800  1.000 82.493  ? 203 SER HHH O    1 
ATOM   2774 C CB   . SER A 1 195 ? -36.130 40.858 39.229  1.000 76.893  ? 203 SER HHH CB   1 
ATOM   2775 O OG   . SER A 1 195 ? -35.918 40.097 38.059  1.000 75.361  ? 203 SER HHH OG   1 
ATOM   2776 H H    . SER A 1 195 ? -34.356 41.593 37.761  1.000 72.642  ? 203 SER HHH H    1 
ATOM   2777 H HA   . SER A 1 195 ? -35.000 42.189 40.274  1.000 76.060  ? 203 SER HHH HA   1 
ATOM   2778 H HB2  . SER A 1 195 ? -36.543 40.296 39.923  1.000 78.378  ? 203 SER HHH HB2  1 
ATOM   2779 H HB3  . SER A 1 195 ? -36.737 41.608 39.033  1.000 77.654  ? 203 SER HHH HB3  1 
ATOM   2780 H HG   . SER A 1 195 ? -36.668 39.727 37.881  0.000 30.000  ? 203 SER HHH HG   1 
ATOM   2781 N N    . SER A 1 196 ? -33.199 39.536 39.980  1.000 77.465  ? 204 SER HHH N    1 
ATOM   2782 C CA   . SER A 1 196 ? -32.373 38.490 40.649  1.000 78.390  ? 204 SER HHH CA   1 
ATOM   2783 C C    . SER A 1 196 ? -31.402 39.096 41.670  1.000 76.041  ? 204 SER HHH C    1 
ATOM   2784 O O    . SER A 1 196 ? -30.892 38.334 42.503  1.000 77.027  ? 204 SER HHH O    1 
ATOM   2785 C CB   . SER A 1 196 ? -31.568 37.655 39.660  1.000 79.137  ? 204 SER HHH CB   1 
ATOM   2786 O OG   . SER A 1 196 ? -32.395 36.739 38.961  1.000 84.267  ? 204 SER HHH OG   1 
ATOM   2787 H H    . SER A 1 196 ? -33.054 39.553 39.082  1.000 76.514  ? 204 SER HHH H    1 
ATOM   2788 H HA   . SER A 1 196 ? -32.991 37.882 41.138  1.000 79.990  ? 204 SER HHH HA   1 
ATOM   2789 H HB2  . SER A 1 196 ? -31.120 38.247 39.020  1.000 77.945  ? 204 SER HHH HB2  1 
ATOM   2790 H HB3  . SER A 1 196 ? -30.875 37.157 40.147  1.000 78.816  ? 204 SER HHH HB3  1 
ATOM   2791 H HG   . SER A 1 196 ? -31.763 36.264 38.459  0.000 30.000  ? 204 SER HHH HG   1 
ATOM   2792 N N    . LEU A 1 197 ? -31.068 40.376 41.558  1.000 73.943  ? 205 LEU HHH N    1 
ATOM   2793 C CA   . LEU A 1 197 ? -30.017 41.003 42.406  1.000 74.042  ? 205 LEU HHH CA   1 
ATOM   2794 C C    . LEU A 1 197 ? -30.585 41.210 43.811  1.000 78.163  ? 205 LEU HHH C    1 
ATOM   2795 O O    . LEU A 1 197 ? -31.799 41.537 43.944  1.000 78.751  ? 205 LEU HHH O    1 
ATOM   2796 C CB   . LEU A 1 197 ? -29.579 42.334 41.792  1.000 71.071  ? 205 LEU HHH CB   1 
ATOM   2797 C CG   . LEU A 1 197 ? -29.009 42.253 40.379  1.000 68.511  ? 205 LEU HHH CG   1 
ATOM   2798 C CD1  . LEU A 1 197 ? -28.760 43.648 39.810  1.000 66.461  ? 205 LEU HHH CD1  1 
ATOM   2799 C CD2  . LEU A 1 197 ? -27.734 41.430 40.373  1.000 68.115  ? 205 LEU HHH CD2  1 
ATOM   2800 H H    . LEU A 1 197 ? -31.456 40.943 40.962  1.000 74.360  ? 205 LEU HHH H    1 
ATOM   2801 H HA   . LEU A 1 197 ? -29.247 40.392 42.458  1.000 73.061  ? 205 LEU HHH HA   1 
ATOM   2802 H HB2  . LEU A 1 197 ? -30.351 42.935 41.780  1.000 72.201  ? 205 LEU HHH HB2  1 
ATOM   2803 H HB3  . LEU A 1 197 ? -28.904 42.734 42.376  1.000 70.806  ? 205 LEU HHH HB3  1 
ATOM   2804 H HG   . LEU A 1 197 ? -29.671 41.800 39.802  1.000 69.185  ? 205 LEU HHH HG   1 
ATOM   2805 H HD11 . LEU A 1 197 ? -29.607 44.122 39.729  1.000 67.831  ? 205 LEU HHH HD11 1 
ATOM   2806 H HD12 . LEU A 1 197 ? -28.346 43.574 38.934  1.000 65.714  ? 205 LEU HHH HD12 1 
ATOM   2807 H HD13 . LEU A 1 197 ? -28.170 44.141 40.406  1.000 66.469  ? 205 LEU HHH HD13 1 
ATOM   2808 H HD21 . LEU A 1 197 ? -27.167 41.704 41.114  1.000 67.592  ? 205 LEU HHH HD21 1 
ATOM   2809 H HD22 . LEU A 1 197 ? -27.260 41.571 39.534  1.000 66.516  ? 205 LEU HHH HD22 1 
ATOM   2810 H HD23 . LEU A 1 197 ? -27.955 40.488 40.465  1.000 68.243  ? 205 LEU HHH HD23 1 
ATOM   2811 N N    . GLY A 1 198 ? -29.769 40.984 44.838  1.000 77.966  ? 206 GLY HHH N    1 
ATOM   2812 C CA   . GLY A 1 198 ? -30.272 41.078 46.224  1.000 81.825  ? 206 GLY HHH CA   1 
ATOM   2813 C C    . GLY A 1 198 ? -31.274 39.976 46.566  1.000 81.528  ? 206 GLY HHH C    1 
ATOM   2814 O O    . GLY A 1 198 ? -31.735 39.970 47.697  1.000 87.185  ? 206 GLY HHH O    1 
ATOM   2815 H H    . GLY A 1 198 ? -28.889 40.768 44.745  1.000 77.158  ? 206 GLY HHH H    1 
ATOM   2816 H HA2  . GLY A 1 198 ? -29.504 41.024 46.846  1.000 80.541  ? 206 GLY HHH HA2  1 
ATOM   2817 H HA3  . GLY A 1 198 ? -30.703 41.961 46.348  1.000 81.294  ? 206 GLY HHH HA3  1 
ATOM   2818 N N    . THR A 1 199 ? -31.594 39.061 45.647  1.000 79.549  ? 207 THR HHH N    1 
ATOM   2819 C CA   . THR A 1 199 ? -32.206 37.737 45.953  1.000 79.313  ? 207 THR HHH CA   1 
ATOM   2820 C C    . THR A 1 199 ? -31.179 36.613 45.708  1.000 77.302  ? 207 THR HHH C    1 
ATOM   2821 O O    . THR A 1 199 ? -31.102 35.686 46.541  1.000 78.520  ? 207 THR HHH O    1 
ATOM   2822 C CB   . THR A 1 199 ? -33.471 37.493 45.123  1.000 79.934  ? 207 THR HHH CB   1 
ATOM   2823 O OG1  . THR A 1 199 ? -34.527 38.220 45.744  1.000 83.752  ? 207 THR HHH OG1  1 
ATOM   2824 C CG2  . THR A 1 199 ? -33.867 36.037 45.025  1.000 81.221  ? 207 THR HHH CG2  1 
ATOM   2825 H H    . THR A 1 199 ? -31.478 39.187 44.756  1.000 78.180  ? 207 THR HHH H    1 
ATOM   2826 H HA   . THR A 1 199 ? -32.454 37.728 46.907  1.000 81.061  ? 207 THR HHH HA   1 
ATOM   2827 H HB   . THR A 1 199 ? -33.324 37.849 44.214  1.000 78.918  ? 207 THR HHH HB   1 
ATOM   2828 H HG1  . THR A 1 199 ? -35.268 38.071 45.279  0.000 30.000  ? 207 THR HHH HG1  1 
ATOM   2829 H HG21 . THR A 1 199 ? -33.321 35.594 44.351  1.000 79.833  ? 207 THR HHH HG21 1 
ATOM   2830 H HG22 . THR A 1 199 ? -34.805 35.973 44.773  1.000 82.694  ? 207 THR HHH HG22 1 
ATOM   2831 H HG23 . THR A 1 199 ? -33.734 35.603 45.887  1.000 82.329  ? 207 THR HHH HG23 1 
ATOM   2832 N N    . GLN A 1 200 ? -30.466 36.636 44.584  1.000 69.655  ? 208 GLN HHH N    1 
ATOM   2833 C CA   . GLN A 1 200 ? -29.530 35.553 44.210  1.000 68.546  ? 208 GLN HHH CA   1 
ATOM   2834 C C    . GLN A 1 200 ? -28.122 36.019 44.595  1.000 66.109  ? 208 GLN HHH C    1 
ATOM   2835 O O    . GLN A 1 200 ? -27.799 37.196 44.341  1.000 63.866  ? 208 GLN HHH O    1 
ATOM   2836 C CB   . GLN A 1 200 ? -29.686 35.239 42.719  1.000 67.366  ? 208 GLN HHH CB   1 
ATOM   2837 C CG   . GLN A 1 200 ? -28.706 34.204 42.186  1.000 64.897  ? 208 GLN HHH CG   1 
ATOM   2838 C CD   . GLN A 1 200 ? -29.009 32.805 42.659  1.000 67.236  ? 208 GLN HHH CD   1 
ATOM   2839 O OE1  . GLN A 1 200 ? -30.163 32.417 42.785  1.000 71.864  ? 208 GLN HHH OE1  1 
ATOM   2840 N NE2  . GLN A 1 200 ? -27.978 32.017 42.903  1.000 65.839  ? 208 GLN HHH NE2  1 
ATOM   2841 H H    . GLN A 1 200 ? -30.514 37.315 43.979  1.000 69.965  ? 208 GLN HHH H    1 
ATOM   2842 H HA   . GLN A 1 200 ? -29.753 34.748 44.730  1.000 69.800  ? 208 GLN HHH HA   1 
ATOM   2843 H HB2  . GLN A 1 200 ? -30.600 34.923 42.564  1.000 68.573  ? 208 GLN HHH HB2  1 
ATOM   2844 H HB3  . GLN A 1 200 ? -29.570 36.071 42.216  1.000 66.057  ? 208 GLN HHH HB3  1 
ATOM   2845 H HG2  . GLN A 1 200 ? -28.729 34.219 41.206  1.000 64.340  ? 208 GLN HHH HG2  1 
ATOM   2846 H HG3  . GLN A 1 200 ? -27.798 34.445 42.465  1.000 64.093  ? 208 GLN HHH HG3  1 
ATOM   2847 H HE21 . GLN A 1 200 ? -28.074 31.201 43.150  0.000 30.000  ? 208 GLN HHH HE21 1 
ATOM   2848 H HE22 . GLN A 1 200 ? -27.140 32.339 42.732  0.000 30.000  ? 208 GLN HHH HE22 1 
ATOM   2849 N N    . THR A 1 201 ? -27.330 35.145 45.221  1.000 66.767  ? 209 THR HHH N    1 
ATOM   2850 C CA   . THR A 1 201 ? -25.893 35.398 45.509  1.000 65.065  ? 209 THR HHH CA   1 
ATOM   2851 C C    . THR A 1 201 ? -25.102 34.916 44.294  1.000 60.235  ? 209 THR HHH C    1 
ATOM   2852 O O    . THR A 1 201 ? -25.413 33.837 43.729  1.000 58.751  ? 209 THR HHH O    1 
ATOM   2853 C CB   . THR A 1 201 ? -25.444 34.833 46.864  1.000 68.352  ? 209 THR HHH CB   1 
ATOM   2854 O OG1  . THR A 1 201 ? -25.821 33.466 46.904  1.000 73.468  ? 209 THR HHH OG1  1 
ATOM   2855 C CG2  . THR A 1 201 ? -26.079 35.506 48.065  1.000 70.928  ? 209 THR HHH CG2  1 
ATOM   2856 H H    . THR A 1 201 ? -27.611 34.331 45.517  1.000 67.807  ? 209 THR HHH H    1 
ATOM   2857 H HA   . THR A 1 201 ? -25.786 36.374 45.559  1.000 64.399  ? 209 THR HHH HA   1 
ATOM   2858 H HB   . THR A 1 201 ? -24.462 34.904 46.929  1.000 67.684  ? 209 THR HHH HB   1 
ATOM   2859 H HG1  . THR A 1 201 ? -25.546 33.154 47.648  0.000 30.000  ? 209 THR HHH HG1  1 
ATOM   2860 H HG21 . THR A 1 201 ? -25.666 36.377 48.207  1.000 70.066  ? 209 THR HHH HG21 1 
ATOM   2861 H HG22 . THR A 1 201 ? -25.946 34.953 48.856  1.000 72.083  ? 209 THR HHH HG22 1 
ATOM   2862 H HG23 . THR A 1 201 ? -27.033 35.621 47.907  1.000 71.738  ? 209 THR HHH HG23 1 
ATOM   2863 N N    . TYR A 1 202 ? -24.160 35.751 43.873  1.000 56.883  ? 210 TYR HHH N    1 
ATOM   2864 C CA   . TYR A 1 202 ? -23.226 35.483 42.759  1.000 54.389  ? 210 TYR HHH CA   1 
ATOM   2865 C C    . TYR A 1 202 ? -21.823 35.434 43.349  1.000 52.773  ? 210 TYR HHH C    1 
ATOM   2866 O O    . TYR A 1 202 ? -21.374 36.393 43.976  1.000 53.322  ? 210 TYR HHH O    1 
ATOM   2867 C CB   . TYR A 1 202 ? -23.402 36.551 41.676  1.000 53.099  ? 210 TYR HHH CB   1 
ATOM   2868 C CG   . TYR A 1 202 ? -24.785 36.579 41.077  1.000 53.735  ? 210 TYR HHH CG   1 
ATOM   2869 C CD1  . TYR A 1 202 ? -25.197 35.548 40.251  1.000 53.476  ? 210 TYR HHH CD1  1 
ATOM   2870 C CD2  . TYR A 1 202 ? -25.688 37.584 41.378  1.000 53.893  ? 210 TYR HHH CD2  1 
ATOM   2871 C CE1  . TYR A 1 202 ? -26.464 35.529 39.711  1.000 53.567  ? 210 TYR HHH CE1  1 
ATOM   2872 C CE2  . TYR A 1 202 ? -26.965 37.580 40.848  1.000 55.217  ? 210 TYR HHH CE2  1 
ATOM   2873 C CZ   . TYR A 1 202 ? -27.352 36.542 40.014  1.000 55.341  ? 210 TYR HHH CZ   1 
ATOM   2874 O OH   . TYR A 1 202 ? -28.601 36.488 39.473  1.000 55.888  ? 210 TYR HHH OH   1 
ATOM   2875 H H    . TYR A 1 202 ? -24.018 36.569 44.250  1.000 57.125  ? 210 TYR HHH H    1 
ATOM   2876 H HA   . TYR A 1 202 ? -23.438 34.598 42.369  1.000 54.439  ? 210 TYR HHH HA   1 
ATOM   2877 H HB2  . TYR A 1 202 ? -23.205 37.428 42.066  1.000 52.948  ? 210 TYR HHH HB2  1 
ATOM   2878 H HB3  . TYR A 1 202 ? -22.750 36.384 40.964  1.000 51.671  ? 210 TYR HHH HB3  1 
ATOM   2879 H HD1  . TYR A 1 202 ? -24.597 34.850 40.045  1.000 52.598  ? 210 TYR HHH HD1  1 
ATOM   2880 H HD2  . TYR A 1 202 ? -25.426 38.287 41.950  1.000 54.164  ? 210 TYR HHH HD2  1 
ATOM   2881 H HE1  . TYR A 1 202 ? -26.729 34.823 39.145  1.000 54.198  ? 210 TYR HHH HE1  1 
ATOM   2882 H HE2  . TYR A 1 202 ? -27.570 38.273 41.055  1.000 55.976  ? 210 TYR HHH HE2  1 
ATOM   2883 H HH   . TYR A 1 202 ? -28.986 35.768 39.720  0.000 30.000  ? 210 TYR HHH HH   1 
ATOM   2884 N N    . ILE A 1 203 ? -21.174 34.307 43.168  1.000 52.638  ? 211 ILE HHH N    1 
ATOM   2885 C CA   . ILE A 1 203 ? -19.789 34.053 43.629  1.000 52.595  ? 211 ILE HHH CA   1 
ATOM   2886 C C    . ILE A 1 203 ? -19.031 33.534 42.416  1.000 51.117  ? 211 ILE HHH C    1 
ATOM   2887 O O    . ILE A 1 203 ? -19.511 32.581 41.782  1.000 49.614  ? 211 ILE HHH O    1 
ATOM   2888 C CB   . ILE A 1 203 ? -19.749 33.041 44.795  1.000 54.363  ? 211 ILE HHH CB   1 
ATOM   2889 C CG1  . ILE A 1 203 ? -20.558 33.521 45.999  1.000 56.550  ? 211 ILE HHH CG1  1 
ATOM   2890 C CG2  . ILE A 1 203 ? -18.311 32.716 45.177  1.000 54.056  ? 211 ILE HHH CG2  1 
ATOM   2891 C CD1  . ILE A 1 203 ? -20.708 32.454 47.059  1.000 58.131  ? 211 ILE HHH CD1  1 
ATOM   2892 H H    . ILE A 1 203 ? -21.546 33.592 42.742  1.000 52.897  ? 211 ILE HHH H    1 
ATOM   2893 H HA   . ILE A 1 203 ? -19.391 34.890 43.922  1.000 52.270  ? 211 ILE HHH HA   1 
ATOM   2894 H HB   . ILE A 1 203 ? -20.168 32.205 44.473  1.000 54.793  ? 211 ILE HHH HB   1 
ATOM   2895 H HG12 . ILE A 1 203 ? -20.112 34.301 46.392  1.000 56.213  ? 211 ILE HHH HG12 1 
ATOM   2896 H HG13 . ILE A 1 203 ? -21.449 33.798 45.697  1.000 56.798  ? 211 ILE HHH HG13 1 
ATOM   2897 H HG21 . ILE A 1 203 ? -17.874 32.250 44.443  1.000 52.783  ? 211 ILE HHH HG21 1 
ATOM   2898 H HG22 . ILE A 1 203 ? -18.301 32.148 45.966  1.000 55.223  ? 211 ILE HHH HG22 1 
ATOM   2899 H HG23 . ILE A 1 203 ? -17.830 33.540 45.367  1.000 53.481  ? 211 ILE HHH HG23 1 
ATOM   2900 H HD11 . ILE A 1 203 ? -20.812 31.584 46.635  1.000 58.237  ? 211 ILE HHH HD11 1 
ATOM   2901 H HD12 . ILE A 1 203 ? -21.493 32.643 47.602  1.000 59.804  ? 211 ILE HHH HD12 1 
ATOM   2902 H HD13 . ILE A 1 203 ? -19.918 32.444 47.627  1.000 58.353  ? 211 ILE HHH HD13 1 
ATOM   2903 N N    . CYS A 1 204 ? -17.901 34.141 42.085  1.000 50.459  ? 212 CYS HHH N    1 
ATOM   2904 C CA   . CYS A 1 204 ? -17.046 33.558 41.044  1.000 50.715  ? 212 CYS HHH CA   1 
ATOM   2905 C C    . CYS A 1 204 ? -15.999 32.709 41.762  1.000 50.308  ? 212 CYS HHH C    1 
ATOM   2906 O O    . CYS A 1 204 ? -15.487 33.129 42.835  1.000 50.901  ? 212 CYS HHH O    1 
ATOM   2907 C CB   . CYS A 1 204 ? -16.460 34.607 40.112  1.000 53.040  ? 212 CYS HHH CB   1 
ATOM   2908 S SG   . CYS A 1 204 ? -15.177 35.597 40.906  1.000 58.335  ? 212 CYS HHH SG   1 
ATOM   2909 H H    . CYS A 1 204 ? -17.580 34.913 42.445  1.000 50.625  ? 212 CYS HHH H    1 
ATOM   2910 H HA   . CYS A 1 204 ? -17.606 32.958 40.501  1.000 50.981  ? 212 CYS HHH HA   1 
ATOM   2911 H HB2  . CYS A 1 204 ? -16.077 34.165 39.327  1.000 52.351  ? 212 CYS HHH HB2  1 
ATOM   2912 H HB3  . CYS A 1 204 ? -17.172 35.202 39.808  1.000 53.420  ? 212 CYS HHH HB3  1 
ATOM   2913 N N    . ASN A 1 205 ? -15.756 31.531 41.206  1.000 47.575  ? 213 ASN HHH N    1 
ATOM   2914 C CA   . ASN A 1 205 ? -14.818 30.532 41.755  1.000 49.031  ? 213 ASN HHH CA   1 
ATOM   2915 C C    . ASN A 1 205 ? -13.601 30.550 40.828  1.000 46.232  ? 213 ASN HHH C    1 
ATOM   2916 O O    . ASN A 1 205 ? -13.733 30.145 39.663  1.000 44.680  ? 213 ASN HHH O    1 
ATOM   2917 C CB   . ASN A 1 205 ? -15.472 29.149 41.908  1.000 51.137  ? 213 ASN HHH CB   1 
ATOM   2918 C CG   . ASN A 1 205 ? -16.921 29.208 42.357  1.000 54.024  ? 213 ASN HHH CG   1 
ATOM   2919 O OD1  . ASN A 1 205 ? -17.829 28.882 41.584  1.000 54.558  ? 213 ASN HHH OD1  1 
ATOM   2920 N ND2  . ASN A 1 205 ? -17.136 29.604 43.598  1.000 52.940  ? 213 ASN HHH ND2  1 
ATOM   2921 H H    . ASN A 1 205 ? -16.157 31.264 40.432  1.000 47.997  ? 213 ASN HHH H    1 
ATOM   2922 H HA   . ASN A 1 205 ? -14.536 30.828 42.652  1.000 49.530  ? 213 ASN HHH HA   1 
ATOM   2923 H HB2  . ASN A 1 205 ? -15.425 28.682 41.050  1.000 50.371  ? 213 ASN HHH HB2  1 
ATOM   2924 H HB3  . ASN A 1 205 ? -14.960 28.630 42.561  1.000 51.782  ? 213 ASN HHH HB3  1 
ATOM   2925 H HD21 . ASN A 1 205 ? -17.961 29.673 43.895  0.000 30.000  ? 213 ASN HHH HD21 1 
ATOM   2926 H HD22 . ASN A 1 205 ? -16.454 29.832 44.110  0.000 30.000  ? 213 ASN HHH HD22 1 
ATOM   2927 N N    . VAL A 1 206 ? -12.475 31.060 41.326  1.000 46.181  ? 214 VAL HHH N    1 
ATOM   2928 C CA   . VAL A 1 206 ? -11.210 31.184 40.547  1.000 45.812  ? 214 VAL HHH CA   1 
ATOM   2929 C C    . VAL A 1 206 ? -10.212 30.132 41.020  1.000 45.531  ? 214 VAL HHH C    1 
ATOM   2930 O O    . VAL A 1 206 ? -9.976  30.049 42.231  1.000 44.227  ? 214 VAL HHH O    1 
ATOM   2931 C CB   . VAL A 1 206 ? -10.652 32.606 40.682  1.000 45.822  ? 214 VAL HHH CB   1 
ATOM   2932 C CG1  . VAL A 1 206 ? -9.400  32.767 39.825  1.000 45.577  ? 214 VAL HHH CG1  1 
ATOM   2933 C CG2  . VAL A 1 206 ? -11.724 33.632 40.321  1.000 44.893  ? 214 VAL HHH CG2  1 
ATOM   2934 H H    . VAL A 1 206 ? -12.408 31.368 42.180  1.000 47.261  ? 214 VAL HHH H    1 
ATOM   2935 H HA   . VAL A 1 206 ? -11.410 31.022 39.610  1.000 44.723  ? 214 VAL HHH HA   1 
ATOM   2936 H HB   . VAL A 1 206 ? -10.398 32.744 41.628  1.000 46.691  ? 214 VAL HHH HB   1 
ATOM   2937 H HG11 . VAL A 1 206 ? -8.637  32.375 40.286  1.000 45.452  ? 214 VAL HHH HG11 1 
ATOM   2938 H HG12 . VAL A 1 206 ? -9.230  33.712 39.668  1.000 44.956  ? 214 VAL HHH HG12 1 
ATOM   2939 H HG13 . VAL A 1 206 ? -9.529  32.316 38.972  1.000 44.465  ? 214 VAL HHH HG13 1 
ATOM   2940 H HG21 . VAL A 1 206 ? -12.182 33.351 39.510  1.000 44.645  ? 214 VAL HHH HG21 1 
ATOM   2941 H HG22 . VAL A 1 206 ? -11.309 34.500 40.174  1.000 44.786  ? 214 VAL HHH HG22 1 
ATOM   2942 H HG23 . VAL A 1 206 ? -12.367 33.701 41.048  1.000 46.233  ? 214 VAL HHH HG23 1 
ATOM   2943 N N    . ASN A 1 207 ? -9.684  29.341 40.088  1.000 46.487  ? 215 ASN HHH N    1 
ATOM   2944 C CA   . ASN A 1 207 ? -8.593  28.367 40.363  1.000 49.504  ? 215 ASN HHH CA   1 
ATOM   2945 C C    . ASN A 1 207 ? -7.368  28.704 39.492  1.000 45.806  ? 215 ASN HHH C    1 
ATOM   2946 O O    . ASN A 1 207 ? -7.489  28.732 38.255  1.000 45.753  ? 215 ASN HHH O    1 
ATOM   2947 C CB   . ASN A 1 207 ? -9.062  26.932 40.139  1.000 53.588  ? 215 ASN HHH CB   1 
ATOM   2948 C CG   . ASN A 1 207 ? -8.129  25.890 40.731  1.000 59.969  ? 215 ASN HHH CG   1 
ATOM   2949 O OD1  . ASN A 1 207 ? -8.557  24.774 41.007  1.000 68.085  ? 215 ASN HHH OD1  1 
ATOM   2950 N ND2  . ASN A 1 207 ? -6.864  26.222 40.946  1.000 61.419  ? 215 ASN HHH ND2  1 
ATOM   2951 H H    . ASN A 1 207 ? -9.961  29.348 39.220  1.000 45.876  ? 215 ASN HHH H    1 
ATOM   2952 H HA   . ASN A 1 207 ? -8.337  28.451 41.310  1.000 50.120  ? 215 ASN HHH HA   1 
ATOM   2953 H HB2  . ASN A 1 207 ? -9.950  26.825 40.539  1.000 54.886  ? 215 ASN HHH HB2  1 
ATOM   2954 H HB3  . ASN A 1 207 ? -9.144  26.774 39.178  1.000 52.973  ? 215 ASN HHH HB3  1 
ATOM   2955 H HD21 . ASN A 1 207 ? -6.293  25.666 41.317  0.000 30.000  ? 215 ASN HHH HD21 1 
ATOM   2956 H HD22 . ASN A 1 207 ? -6.593  27.084 40.824  0.000 30.000  ? 215 ASN HHH HD22 1 
ATOM   2957 N N    . HIS A 1 208 ? -6.245  29.006 40.141  1.000 45.891  ? 216 HIS HHH N    1 
ATOM   2958 C CA   . HIS A 1 208 ? -4.896  29.119 39.542  1.000 45.849  ? 216 HIS HHH CA   1 
ATOM   2959 C C    . HIS A 1 208 ? -4.082  27.892 39.977  1.000 47.549  ? 216 HIS HHH C    1 
ATOM   2960 O O    . HIS A 1 208 ? -3.366  27.959 40.983  1.000 45.515  ? 216 HIS HHH O    1 
ATOM   2961 C CB   . HIS A 1 208 ? -4.281  30.476 39.908  1.000 45.577  ? 216 HIS HHH CB   1 
ATOM   2962 C CG   . HIS A 1 208 ? -3.062  30.790 39.111  1.000 43.538  ? 216 HIS HHH CG   1 
ATOM   2963 N ND1  . HIS A 1 208 ? -1.867  31.071 39.706  1.000 43.579  ? 216 HIS HHH ND1  1 
ATOM   2964 C CD2  . HIS A 1 208 ? -2.840  30.804 37.777  1.000 44.849  ? 216 HIS HHH CD2  1 
ATOM   2965 C CE1  . HIS A 1 208 ? -0.960  31.283 38.774  1.000 44.546  ? 216 HIS HHH CE1  1 
ATOM   2966 N NE2  . HIS A 1 208 ? -1.527  31.124 37.572  1.000 43.577  ? 216 HIS HHH NE2  1 
ATOM   2967 H H    . HIS A 1 208 ? -6.231  29.174 41.036  1.000 47.154  ? 216 HIS HHH H    1 
ATOM   2968 H HA   . HIS A 1 208 ? -4.997  29.083 38.562  1.000 44.825  ? 216 HIS HHH HA   1 
ATOM   2969 H HB2  . HIS A 1 208 ? -4.950  31.181 39.761  1.000 45.318  ? 216 HIS HHH HB2  1 
ATOM   2970 H HB3  . HIS A 1 208 ? -4.049  30.476 40.863  1.000 46.480  ? 216 HIS HHH HB3  1 
ATOM   2971 H HD1  . HIS A 1 208 ? -1.730  31.073 40.559  0.000 30.000  ? 216 HIS HHH HD1  1 
ATOM   2972 H HD2  . HIS A 1 208 ? -3.476  30.642 37.107  1.000 43.360  ? 216 HIS HHH HD2  1 
ATOM   2973 H HE1  . HIS A 1 208 ? -0.061  31.505 38.932  1.000 44.471  ? 216 HIS HHH HE1  1 
ATOM   2974 H HE2  . HIS A 1 208 ? -1.126  31.223 36.787  0.000 30.000  ? 216 HIS HHH HE2  1 
ATOM   2975 N N    . LYS A 1 209 ? -4.216  26.794 39.238  1.000 51.764  ? 217 LYS HHH N    1 
ATOM   2976 C CA   . LYS A 1 209 ? -3.518  25.519 39.545  1.000 59.805  ? 217 LYS HHH CA   1 
ATOM   2977 C C    . LYS A 1 209 ? -2.035  25.824 39.783  1.000 60.989  ? 217 LYS HHH C    1 
ATOM   2978 O O    . LYS A 1 209 ? -1.517  25.530 40.863  1.000 60.621  ? 217 LYS HHH O    1 
ATOM   2979 C CB   . LYS A 1 209 ? -3.752  24.482 38.435  1.000 64.153  ? 217 LYS HHH CB   1 
ATOM   2980 C CG   . LYS A 1 209 ? -5.212  24.185 38.102  1.000 70.370  ? 217 LYS HHH CG   1 
ATOM   2981 C CD   . LYS A 1 209 ? -5.921  23.332 39.131  1.000 76.727  ? 217 LYS HHH CD   1 
ATOM   2982 C CE   . LYS A 1 209 ? -5.506  21.879 39.068  1.000 83.199  ? 217 LYS HHH CE   1 
ATOM   2983 N NZ   . LYS A 1 209 ? -5.560  21.377 37.674  1.000 84.399  ? 217 LYS HHH NZ   1 
ATOM   2984 H H    . LYS A 1 209 ? -4.727  26.772 38.487  1.000 51.587  ? 217 LYS HHH H    1 
ATOM   2985 H HA   . LYS A 1 209 ? -3.896  25.163 40.382  1.000 60.583  ? 217 LYS HHH HA   1 
ATOM   2986 H HB2  . LYS A 1 209 ? -3.308  24.791 37.621  1.000 63.144  ? 217 LYS HHH HB2  1 
ATOM   2987 H HB3  . LYS A 1 209 ? -3.321  23.645 38.705  1.000 64.696  ? 217 LYS HHH HB3  1 
ATOM   2988 H HG2  . LYS A 1 209 ? -5.695  25.032 38.020  1.000 69.613  ? 217 LYS HHH HG2  1 
ATOM   2989 H HG3  . LYS A 1 209 ? -5.250  23.740 37.231  1.000 69.257  ? 217 LYS HHH HG3  1 
ATOM   2990 H HD2  . LYS A 1 209 ? -5.726  23.680 40.027  1.000 77.749  ? 217 LYS HHH HD2  1 
ATOM   2991 H HD3  . LYS A 1 209 ? -6.889  23.392 38.986  1.000 77.167  ? 217 LYS HHH HD3  1 
ATOM   2992 H HE2  . LYS A 1 209 ? -4.596  21.780 39.409  1.000 82.342  ? 217 LYS HHH HE2  1 
ATOM   2993 H HE3  . LYS A 1 209 ? -6.100  21.341 39.625  1.000 83.437  ? 217 LYS HHH HE3  1 
ATOM   2994 H HZ1  . LYS A 1 209 ? -6.262  21.749 37.235  1.000 83.216  ? 217 LYS HHH HZ1  1 
ATOM   2995 H HZ2  . LYS A 1 209 ? -5.664  20.476 37.677  1.000 84.067  ? 217 LYS HHH HZ2  1 
ATOM   2996 H HZ3  . LYS A 1 209 ? -4.789  21.579 37.241  1.000 82.688  ? 217 LYS HHH HZ3  1 
ATOM   2997 N N    . PRO A 1 210 ? -1.345  26.512 38.840  1.000 55.679  ? 218 PRO HHH N    1 
ATOM   2998 C CA   . PRO A 1 210 ? 0.086   26.787 38.956  1.000 55.483  ? 218 PRO HHH CA   1 
ATOM   2999 C C    . PRO A 1 210 ? 0.574   27.384 40.273  1.000 55.830  ? 218 PRO HHH C    1 
ATOM   3000 O O    . PRO A 1 210 ? 1.688   27.117 40.602  1.000 63.300  ? 218 PRO HHH O    1 
ATOM   3001 C CB   . PRO A 1 210 ? 0.332   27.816 37.850  1.000 55.339  ? 218 PRO HHH CB   1 
ATOM   3002 C CG   . PRO A 1 210 ? -0.663  27.407 36.781  1.000 54.040  ? 218 PRO HHH CG   1 
ATOM   3003 C CD   . PRO A 1 210 ? -1.899  27.072 37.596  1.000 55.355  ? 218 PRO HHH CD   1 
ATOM   3004 H HA   . PRO A 1 210 ? 0.593   25.961 38.753  1.000 55.421  ? 218 PRO HHH HA   1 
ATOM   3005 H HB2  . PRO A 1 210 ? 0.155   28.728 38.165  1.000 55.242  ? 218 PRO HHH HB2  1 
ATOM   3006 H HB3  . PRO A 1 210 ? 1.252   27.764 37.514  1.000 54.742  ? 218 PRO HHH HB3  1 
ATOM   3007 H HG2  . PRO A 1 210 ? -0.838  28.142 36.159  1.000 53.625  ? 218 PRO HHH HG2  1 
ATOM   3008 H HG3  . PRO A 1 210 ? -0.346  26.627 36.281  1.000 53.790  ? 218 PRO HHH HG3  1 
ATOM   3009 H HD2  . PRO A 1 210 ? -2.425  27.873 37.775  1.000 55.115  ? 218 PRO HHH HD2  1 
ATOM   3010 H HD3  . PRO A 1 210 ? -2.456  26.423 37.130  1.000 54.708  ? 218 PRO HHH HD3  1 
ATOM   3011 N N    . SER A 1 211 ? -0.243  28.128 41.007  1.000 54.016  ? 219 SER HHH N    1 
ATOM   3012 C CA   . SER A 1 211 ? 0.163   28.635 42.340  1.000 54.350  ? 219 SER HHH CA   1 
ATOM   3013 C C    . SER A 1 211 ? -0.640  27.941 43.445  1.000 55.970  ? 219 SER HHH C    1 
ATOM   3014 O O    . SER A 1 211 ? -0.647  28.471 44.546  1.000 51.261  ? 219 SER HHH O    1 
ATOM   3015 C CB   . SER A 1 211 ? 0.032   30.138 42.419  1.000 53.753  ? 219 SER HHH CB   1 
ATOM   3016 O OG   . SER A 1 211 ? -1.320  30.534 42.303  1.000 53.167  ? 219 SER HHH OG   1 
ATOM   3017 H H    . SER A 1 211 ? -1.082  28.384 40.761  1.000 53.918  ? 219 SER HHH H    1 
ATOM   3018 H HA   . SER A 1 211 ? 1.121   28.406 42.475  1.000 54.894  ? 219 SER HHH HA   1 
ATOM   3019 H HB2  . SER A 1 211 ? 0.395   30.454 43.277  1.000 55.040  ? 219 SER HHH HB2  1 
ATOM   3020 H HB3  . SER A 1 211 ? 0.557   30.549 41.695  1.000 53.037  ? 219 SER HHH HB3  1 
ATOM   3021 H HG   . SER A 1 211 ? -1.325  31.382 42.351  0.000 30.000  ? 219 SER HHH HG   1 
ATOM   3022 N N    . ASN A 1 212 ? -1.306  26.810 43.175  1.000 58.367  ? 220 ASN HHH N    1 
ATOM   3023 C CA   . ASN A 1 212 ? -2.290  26.221 44.136  1.000 63.724  ? 220 ASN HHH CA   1 
ATOM   3024 C C    . ASN A 1 212 ? -3.089  27.343 44.818  1.000 62.548  ? 220 ASN HHH C    1 
ATOM   3025 O O    . ASN A 1 212 ? -3.071  27.412 46.069  1.000 66.328  ? 220 ASN HHH O    1 
ATOM   3026 C CB   . ASN A 1 212 ? -1.646  25.402 45.265  1.000 68.645  ? 220 ASN HHH CB   1 
ATOM   3027 C CG   . ASN A 1 212 ? -1.000  24.105 44.828  1.000 71.272  ? 220 ASN HHH CG   1 
ATOM   3028 O OD1  . ASN A 1 212 ? -0.916  23.781 43.637  1.000 69.379  ? 220 ASN HHH OD1  1 
ATOM   3029 N ND2  . ASN A 1 212 ? -0.553  23.337 45.811  1.000 78.262  ? 220 ASN HHH ND2  1 
ATOM   3030 H H    . ASN A 1 212 ? -1.189  26.328 42.413  1.000 57.649  ? 220 ASN HHH H    1 
ATOM   3031 H HA   . ASN A 1 212 ? -2.910  25.636 43.641  1.000 62.637  ? 220 ASN HHH HA   1 
ATOM   3032 H HB2  . ASN A 1 212 ? -0.967  25.957 45.702  1.000 69.106  ? 220 ASN HHH HB2  1 
ATOM   3033 H HB3  . ASN A 1 212 ? -2.333  25.194 45.930  1.000 69.722  ? 220 ASN HHH HB3  1 
ATOM   3034 H HD21 . ASN A 1 212 ? -0.188  22.563 45.669  0.000 30.000  ? 220 ASN HHH HD21 1 
ATOM   3035 H HD22 . ASN A 1 212 ? -0.667  23.612 46.676  0.000 30.000  ? 220 ASN HHH HD22 1 
ATOM   3036 N N    . THR A 1 213 ? -3.737  28.214 44.043  1.000 59.543  ? 221 THR HHH N    1 
ATOM   3037 C CA   . THR A 1 213 ? -4.634  29.281 44.570  1.000 60.082  ? 221 THR HHH CA   1 
ATOM   3038 C C    . THR A 1 213 ? -6.074  29.049 44.074  1.000 59.837  ? 221 THR HHH C    1 
ATOM   3039 O O    . THR A 1 213 ? -6.307  28.911 42.817  1.000 53.982  ? 221 THR HHH O    1 
ATOM   3040 C CB   . THR A 1 213 ? -4.134  30.677 44.181  1.000 60.264  ? 221 THR HHH CB   1 
ATOM   3041 O OG1  . THR A 1 213 ? -2.800  30.830 44.675  1.000 64.177  ? 221 THR HHH OG1  1 
ATOM   3042 C CG2  . THR A 1 213 ? -5.018  31.786 44.713  1.000 62.191  ? 221 THR HHH CG2  1 
ATOM   3043 H H    . THR A 1 213 ? -3.677  28.219 43.134  1.000 58.658  ? 221 THR HHH H    1 
ATOM   3044 H HA   . THR A 1 213 ? -4.632  29.218 45.552  1.000 61.773  ? 221 THR HHH HA   1 
ATOM   3045 H HB   . THR A 1 213 ? -4.115  30.734 43.196  1.000 59.551  ? 221 THR HHH HB   1 
ATOM   3046 H HG1  . THR A 1 213 ? -2.501  31.593 44.454  0.000 30.000  ? 221 THR HHH HG1  1 
ATOM   3047 H HG21 . THR A 1 213 ? -5.773  31.919 44.111  1.000 61.049  ? 221 THR HHH HG21 1 
ATOM   3048 H HG22 . THR A 1 213 ? -4.504  32.612 44.773  1.000 61.818  ? 221 THR HHH HG22 1 
ATOM   3049 H HG23 . THR A 1 213 ? -5.347  31.545 45.597  1.000 63.122  ? 221 THR HHH HG23 1 
ATOM   3050 N N    . LYS A 1 214 ? -7.001  28.978 45.030  1.000 60.313  ? 222 LYS HHH N    1 
ATOM   3051 C CA   . LYS A 1 214 ? -8.469  29.000 44.819  1.000 61.439  ? 222 LYS HHH CA   1 
ATOM   3052 C C    . LYS A 1 214 ? -9.018  30.236 45.528  1.000 60.054  ? 222 LYS HHH C    1 
ATOM   3053 O O    . LYS A 1 214 ? -8.799  30.335 46.725  1.000 63.611  ? 222 LYS HHH O    1 
ATOM   3054 C CB   . LYS A 1 214 ? -9.175  27.805 45.462  1.000 65.145  ? 222 LYS HHH CB   1 
ATOM   3055 C CG   . LYS A 1 214 ? -8.963  26.438 44.835  1.000 67.168  ? 222 LYS HHH CG   1 
ATOM   3056 C CD   . LYS A 1 214 ? -9.901  25.410 45.482  1.000 71.899  ? 222 LYS HHH CD   1 
ATOM   3057 C CE   . LYS A 1 214 ? -9.284  24.049 45.708  1.000 73.817  ? 222 LYS HHH CE   1 
ATOM   3058 N NZ   . LYS A 1 214 ? -8.848  23.463 44.419  1.000 73.700  ? 222 LYS HHH NZ   1 
ATOM   3059 H H    . LYS A 1 214 ? -6.776  28.905 45.909  1.000 62.069  ? 222 LYS HHH H    1 
ATOM   3060 H HA   . LYS A 1 214 ? -8.670  29.039 43.859  1.000 59.871  ? 222 LYS HHH HA   1 
ATOM   3061 H HB2  . LYS A 1 214 ? -8.889  27.754 46.398  1.000 66.535  ? 222 LYS HHH HB2  1 
ATOM   3062 H HB3  . LYS A 1 214 ? -10.138 27.990 45.464  1.000 65.594  ? 222 LYS HHH HB3  1 
ATOM   3063 H HG2  . LYS A 1 214 ? -9.143  26.489 43.872  1.000 65.896  ? 222 LYS HHH HG2  1 
ATOM   3064 H HG3  . LYS A 1 214 ? -8.030  26.162 44.963  1.000 67.119  ? 222 LYS HHH HG3  1 
ATOM   3065 H HD2  . LYS A 1 214 ? -10.205 25.761 46.347  1.000 72.783  ? 222 LYS HHH HD2  1 
ATOM   3066 H HD3  . LYS A 1 214 ? -10.692 25.304 44.912  1.000 71.138  ? 222 LYS HHH HD3  1 
ATOM   3067 H HE2  . LYS A 1 214 ? -8.513  24.129 46.302  1.000 74.454  ? 222 LYS HHH HE2  1 
ATOM   3068 H HE3  . LYS A 1 214 ? -9.935  23.456 46.127  1.000 75.320  ? 222 LYS HHH HE3  1 
ATOM   3069 H HZ1  . LYS A 1 214 ? -9.475  23.618 43.781  1.000 72.466  ? 222 LYS HHH HZ1  1 
ATOM   3070 H HZ2  . LYS A 1 214 ? -8.735  22.568 44.511  1.000 73.740  ? 222 LYS HHH HZ2  1 
ATOM   3071 H HZ3  . LYS A 1 214 ? -8.063  23.836 44.161  1.000 72.166  ? 222 LYS HHH HZ3  1 
ATOM   3072 N N    . VAL A 1 215 ? -9.721  31.117 44.824  1.000 56.518  ? 223 VAL HHH N    1 
ATOM   3073 C CA   . VAL A 1 215 ? -10.455 32.255 45.441  1.000 56.417  ? 223 VAL HHH CA   1 
ATOM   3074 C C    . VAL A 1 215 ? -11.940 32.134 45.076  1.000 53.927  ? 223 VAL HHH C    1 
ATOM   3075 O O    . VAL A 1 215 ? -12.243 31.980 43.905  1.000 51.902  ? 223 VAL HHH O    1 
ATOM   3076 C CB   . VAL A 1 215 ? -9.852  33.593 44.982  1.000 56.715  ? 223 VAL HHH CB   1 
ATOM   3077 C CG1  . VAL A 1 215 ? -10.669 34.782 45.470  1.000 57.288  ? 223 VAL HHH CG1  1 
ATOM   3078 C CG2  . VAL A 1 215 ? -8.403  33.706 45.427  1.000 58.377  ? 223 VAL HHH CG2  1 
ATOM   3079 H H    . VAL A 1 215 ? -9.797  31.080 43.917  1.000 55.696  ? 223 VAL HHH H    1 
ATOM   3080 H HA   . VAL A 1 215 ? -10.368 32.192 46.408  1.000 57.705  ? 223 VAL HHH HA   1 
ATOM   3081 H HB   . VAL A 1 215 ? -9.866  33.602 43.994  1.000 55.383  ? 223 VAL HHH HB   1 
ATOM   3082 H HG11 . VAL A 1 215 ? -11.426 34.923 44.875  1.000 56.822  ? 223 VAL HHH HG11 1 
ATOM   3083 H HG12 . VAL A 1 215 ? -10.112 35.580 45.478  1.000 57.131  ? 223 VAL HHH HG12 1 
ATOM   3084 H HG13 . VAL A 1 215 ? -10.994 34.606 46.370  1.000 58.742  ? 223 VAL HHH HG13 1 
ATOM   3085 H HG21 . VAL A 1 215 ? -8.346  33.572 46.389  1.000 59.289  ? 223 VAL HHH HG21 1 
ATOM   3086 H HG22 . VAL A 1 215 ? -8.061  34.589 45.202  1.000 57.471  ? 223 VAL HHH HG22 1 
ATOM   3087 H HG23 . VAL A 1 215 ? -7.870  33.029 44.974  1.000 57.232  ? 223 VAL HHH HG23 1 
ATOM   3088 N N    . ASP A 1 216 ? -12.820 32.213 46.062  1.000 55.078  ? 224 ASP HHH N    1 
ATOM   3089 C CA   . ASP A 1 216 ? -14.280 32.384 45.862  1.000 58.137  ? 224 ASP HHH CA   1 
ATOM   3090 C C    . ASP A 1 216 ? -14.585 33.844 46.161  1.000 57.609  ? 224 ASP HHH C    1 
ATOM   3091 O O    . ASP A 1 216 ? -14.340 34.226 47.298  1.000 60.429  ? 224 ASP HHH O    1 
ATOM   3092 C CB   . ASP A 1 216 ? -15.079 31.429 46.751  1.000 59.945  ? 224 ASP HHH CB   1 
ATOM   3093 C CG   . ASP A 1 216 ? -14.846 29.974 46.385  1.000 62.232  ? 224 ASP HHH CG   1 
ATOM   3094 O OD1  . ASP A 1 216 ? -14.609 29.694 45.179  1.000 60.604  ? 224 ASP HHH OD1  1 
ATOM   3095 O OD2  . ASP A 1 216 ? -14.888 29.134 47.301  1.000 67.747  ? 224 ASP HHH OD2  1 
ATOM   3096 H H    . ASP A 1 216 ? -12.577 32.165 46.939  1.000 56.997  ? 224 ASP HHH H    1 
ATOM   3097 H HA   . ASP A 1 216 ? -14.496 32.198 44.920  1.000 56.334  ? 224 ASP HHH HA   1 
ATOM   3098 H HB2  . ASP A 1 216 ? -14.820 31.563 47.686  1.000 61.766  ? 224 ASP HHH HB2  1 
ATOM   3099 H HB3  . ASP A 1 216 ? -16.034 31.626 46.664  1.000 61.058  ? 224 ASP HHH HB3  1 
ATOM   3100 N N    . LYS A 1 217 ? -15.046 34.627 45.183  1.000 54.792  ? 225 LYS HHH N    1 
ATOM   3101 C CA   . LYS A 1 217 ? -15.329 36.062 45.418  1.000 55.075  ? 225 LYS HHH CA   1 
ATOM   3102 C C    . LYS A 1 217 ? -16.813 36.350 45.229  1.000 54.664  ? 225 LYS HHH C    1 
ATOM   3103 O O    . LYS A 1 217 ? -17.295 36.177 44.114  1.000 54.216  ? 225 LYS HHH O    1 
ATOM   3104 C CB   . LYS A 1 217 ? -14.526 36.952 44.476  1.000 56.406  ? 225 LYS HHH CB   1 
ATOM   3105 C CG   . LYS A 1 217 ? -14.655 38.432 44.796  1.000 61.054  ? 225 LYS HHH CG   1 
ATOM   3106 C CD   . LYS A 1 217 ? -14.124 38.738 46.172  1.000 64.357  ? 225 LYS HHH CD   1 
ATOM   3107 C CE   . LYS A 1 217 ? -14.470 40.127 46.641  1.000 71.485  ? 225 LYS HHH CE   1 
ATOM   3108 N NZ   . LYS A 1 217 ? -13.384 40.641 47.513  1.000 75.911  ? 225 LYS HHH NZ   1 
ATOM   3109 H H    . LYS A 1 217 ? -15.211 34.336 44.335  1.000 54.261  ? 225 LYS HHH H    1 
ATOM   3110 H HA   . LYS A 1 217 ? -15.084 36.276 46.345  1.000 56.513  ? 225 LYS HHH HA   1 
ATOM   3111 H HB2  . LYS A 1 217 ? -13.581 36.697 44.530  1.000 56.200  ? 225 LYS HHH HB2  1 
ATOM   3112 H HB3  . LYS A 1 217 ? -14.830 36.798 43.559  1.000 55.676  ? 225 LYS HHH HB3  1 
ATOM   3113 H HG2  . LYS A 1 217 ? -14.152 38.950 44.131  1.000 59.370  ? 225 LYS HHH HG2  1 
ATOM   3114 H HG3  . LYS A 1 217 ? -15.597 38.698 44.742  1.000 60.825  ? 225 LYS HHH HG3  1 
ATOM   3115 H HD2  . LYS A 1 217 ? -14.491 38.093 46.812  1.000 66.331  ? 225 LYS HHH HD2  1 
ATOM   3116 H HD3  . LYS A 1 217 ? -13.149 38.636 46.167  1.000 64.929  ? 225 LYS HHH HD3  1 
ATOM   3117 H HE2  . LYS A 1 217 ? -14.581 40.720 45.876  1.000 69.700  ? 225 LYS HHH HE2  1 
ATOM   3118 H HE3  . LYS A 1 217 ? -15.307 40.111 47.143  1.000 71.759  ? 225 LYS HHH HE3  1 
ATOM   3119 H HZ1  . LYS A 1 217 ? -13.276 40.092 48.226  1.000 75.706  ? 225 LYS HHH HZ1  1 
ATOM   3120 H HZ2  . LYS A 1 217 ? -13.593 41.473 47.807  1.000 75.299  ? 225 LYS HHH HZ2  1 
ATOM   3121 H HZ3  . LYS A 1 217 ? -12.608 40.677 47.046  1.000 73.841  ? 225 LYS HHH HZ3  1 
ATOM   3122 N N    . ARG A 1 218 ? -17.491 36.803 46.279  1.000 54.886  ? 226 ARG HHH N    1 
ATOM   3123 C CA   . ARG A 1 218 ? -18.923 37.188 46.243  1.000 57.751  ? 226 ARG HHH CA   1 
ATOM   3124 C C    . ARG A 1 218 ? -19.017 38.556 45.553  1.000 56.422  ? 226 ARG HHH C    1 
ATOM   3125 O O    . ARG A 1 218 ? -18.224 39.439 45.896  1.000 58.507  ? 226 ARG HHH O    1 
ATOM   3126 C CB   . ARG A 1 218 ? -19.449 37.184 47.686  1.000 61.077  ? 226 ARG HHH CB   1 
ATOM   3127 C CG   . ARG A 1 218 ? -20.951 37.343 47.839  1.000 65.258  ? 226 ARG HHH CG   1 
ATOM   3128 C CD   . ARG A 1 218 ? -21.224 37.589 49.312  1.000 70.221  ? 226 ARG HHH CD   1 
ATOM   3129 N NE   . ARG A 1 218 ? -22.540 37.164 49.773  1.000 75.611  ? 226 ARG HHH NE   1 
ATOM   3130 C CZ   . ARG A 1 218 ? -22.845 35.964 50.283  1.000 77.726  ? 226 ARG HHH CZ   1 
ATOM   3131 N NH1  . ARG A 1 218 ? -21.922 35.012 50.357  1.000 77.972  ? 226 ARG HHH NH1  1 
ATOM   3132 N NH2  . ARG A 1 218 ? -24.090 35.723 50.690  1.000 77.943  ? 226 ARG HHH NH2  1 
ATOM   3133 H H    . ARG A 1 218 ? -17.106 36.909 47.098  1.000 56.540  ? 226 ARG HHH H    1 
ATOM   3134 H HA   . ARG A 1 218 ? -19.417 36.522 45.714  1.000 57.361  ? 226 ARG HHH HA   1 
ATOM   3135 H HB2  . ARG A 1 218 ? -19.182 36.340 48.106  1.000 62.102  ? 226 ARG HHH HB2  1 
ATOM   3136 H HB3  . ARG A 1 218 ? -19.008 37.910 48.174  1.000 61.674  ? 226 ARG HHH HB3  1 
ATOM   3137 H HG2  . ARG A 1 218 ? -21.270 38.104 47.307  1.000 64.528  ? 226 ARG HHH HG2  1 
ATOM   3138 H HG3  . ARG A 1 218 ? -21.412 36.529 47.543  1.000 65.450  ? 226 ARG HHH HG3  1 
ATOM   3139 H HD2  . ARG A 1 218 ? -20.540 37.128 49.842  1.000 70.674  ? 226 ARG HHH HD2  1 
ATOM   3140 H HD3  . ARG A 1 218 ? -21.127 38.548 49.490  1.000 70.254  ? 226 ARG HHH HD3  1 
ATOM   3141 H HE   . ARG A 1 218 ? -23.178 37.759 49.754  1.000 75.362  ? 226 ARG HHH HE   1 
ATOM   3142 H HH11 . ARG A 1 218 ? -21.100 35.167 50.092  1.000 76.291  ? 226 ARG HHH HH11 1 
ATOM   3143 H HH12 . ARG A 1 218 ? -22.134 34.224 50.685  1.000 78.738  ? 226 ARG HHH HH12 1 
ATOM   3144 H HH21 . ARG A 1 218 ? -24.703 36.354 50.632  1.000 78.852  ? 226 ARG HHH HH21 1 
ATOM   3145 H HH22 . ARG A 1 218 ? -24.301 34.931 51.012  1.000 79.732  ? 226 ARG HHH HH22 1 
ATOM   3146 N N    . VAL A 1 219 ? -19.925 38.731 44.596  1.000 55.976  ? 227 VAL HHH N    1 
ATOM   3147 C CA   . VAL A 1 219 ? -20.148 40.037 43.897  1.000 55.347  ? 227 VAL HHH CA   1 
ATOM   3148 C C    . VAL A 1 219 ? -21.498 40.590 44.357  1.000 57.774  ? 227 VAL HHH C    1 
ATOM   3149 O O    . VAL A 1 219 ? -22.509 39.938 44.093  1.000 58.437  ? 227 VAL HHH O    1 
ATOM   3150 C CB   . VAL A 1 219 ? -20.063 39.856 42.366  1.000 53.864  ? 227 VAL HHH CB   1 
ATOM   3151 C CG1  . VAL A 1 219 ? -20.231 41.176 41.613  1.000 52.845  ? 227 VAL HHH CG1  1 
ATOM   3152 C CG2  . VAL A 1 219 ? -18.776 39.131 41.960  1.000 52.053  ? 227 VAL HHH CG2  1 
ATOM   3153 H H    . VAL A 1 219 ? -20.470 38.062 44.304  1.000 56.236  ? 227 VAL HHH H    1 
ATOM   3154 H HA   . VAL A 1 219 ? -19.450 40.658 44.172  1.000 55.252  ? 227 VAL HHH HA   1 
ATOM   3155 H HB   . VAL A 1 219 ? -20.819 39.274 42.105  1.000 54.107  ? 227 VAL HHH HB   1 
ATOM   3156 H HG11 . VAL A 1 219 ? -21.161 41.458 41.653  1.000 53.783  ? 227 VAL HHH HG11 1 
ATOM   3157 H HG12 . VAL A 1 219 ? -19.970 41.056 40.683  1.000 51.945  ? 227 VAL HHH HG12 1 
ATOM   3158 H HG13 . VAL A 1 219 ? -19.668 41.857 42.021  1.000 52.931  ? 227 VAL HHH HG13 1 
ATOM   3159 H HG21 . VAL A 1 219 ? -18.008 39.604 42.326  1.000 51.966  ? 227 VAL HHH HG21 1 
ATOM   3160 H HG22 . VAL A 1 219 ? -18.709 39.106 40.990  1.000 51.203  ? 227 VAL HHH HG22 1 
ATOM   3161 H HG23 . VAL A 1 219 ? -18.791 38.222 42.306  1.000 52.607  ? 227 VAL HHH HG23 1 
ATOM   3162 N N    . GLU A 1 220 ? -21.486 41.699 45.100  1.000 61.116  ? 228 GLU HHH N    1 
ATOM   3163 C CA   . GLU A 1 220 ? -22.681 42.389 45.654  1.000 65.936  ? 228 GLU HHH CA   1 
ATOM   3164 C C    . GLU A 1 220 ? -23.070 43.540 44.736  1.000 65.712  ? 228 GLU HHH C    1 
ATOM   3165 O O    . GLU A 1 220 ? -22.189 44.158 44.149  1.000 60.643  ? 228 GLU HHH O    1 
ATOM   3166 C CB   . GLU A 1 220 ? -22.383 43.056 47.000  1.000 69.973  ? 228 GLU HHH CB   1 
ATOM   3167 C CG   . GLU A 1 220 ? -21.935 42.104 48.085  1.000 74.107  ? 228 GLU HHH CG   1 
ATOM   3168 C CD   . GLU A 1 220 ? -23.073 41.316 48.693  1.000 78.916  ? 228 GLU HHH CD   1 
ATOM   3169 O OE1  . GLU A 1 220 ? -24.075 41.947 49.067  1.000 83.612  ? 228 GLU HHH OE1  1 
ATOM   3170 O OE2  . GLU A 1 220 ? -22.962 40.080 48.775  1.000 81.716  ? 228 GLU HHH OE2  1 
ATOM   3171 H H    . GLU A 1 220 ? -20.707 42.117 45.321  1.000 60.799  ? 228 GLU HHH H    1 
ATOM   3172 H HA   . GLU A 1 220 ? -23.425 41.752 45.744  1.000 66.735  ? 228 GLU HHH HA   1 
ATOM   3173 H HB2  . GLU A 1 220 ? -21.683 43.728 46.865  1.000 69.245  ? 228 GLU HHH HB2  1 
ATOM   3174 H HB3  . GLU A 1 220 ? -23.190 43.524 47.301  1.000 71.079  ? 228 GLU HHH HB3  1 
ATOM   3175 H HG2  . GLU A 1 220 ? -21.280 41.475 47.713  1.000 73.039  ? 228 GLU HHH HG2  1 
ATOM   3176 H HG3  . GLU A 1 220 ? -21.490 42.612 48.796  1.000 74.587  ? 228 GLU HHH HG3  1 
ATOM   3177 N N    . PRO A 1 221 ? -24.370 43.932 44.674  1.000 69.014  ? 229 PRO HHH N    1 
ATOM   3178 C CA   . PRO A 1 221 ? -24.773 45.206 44.064  1.000 68.223  ? 229 PRO HHH CA   1 
ATOM   3179 C C    . PRO A 1 221 ? -24.075 46.428 44.679  1.000 66.273  ? 229 PRO HHH C    1 
ATOM   3180 O O    . PRO A 1 221 ? -23.874 46.405 45.888  1.000 64.859  ? 229 PRO HHH O    1 
ATOM   3181 C CB   . PRO A 1 221 ? -26.270 45.308 44.375  1.000 70.062  ? 229 PRO HHH CB   1 
ATOM   3182 C CG   . PRO A 1 221 ? -26.713 43.875 44.567  1.000 71.598  ? 229 PRO HHH CG   1 
ATOM   3183 C CD   . PRO A 1 221 ? -25.520 43.169 45.181  1.000 70.708  ? 229 PRO HHH CD   1 
ATOM   3184 H HA   . PRO A 1 221 ? -24.630 45.175 43.085  1.000 66.873  ? 229 PRO HHH HA   1 
ATOM   3185 H HB2  . PRO A 1 221 ? -26.426 45.832 45.190  1.000 71.226  ? 229 PRO HHH HB2  1 
ATOM   3186 H HB3  . PRO A 1 221 ? -26.754 45.726 43.632  1.000 70.043  ? 229 PRO HHH HB3  1 
ATOM   3187 H HG2  . PRO A 1 221 ? -27.488 43.829 45.163  1.000 72.844  ? 229 PRO HHH HG2  1 
ATOM   3188 H HG3  . PRO A 1 221 ? -26.952 43.469 43.709  1.000 70.777  ? 229 PRO HHH HG3  1 
ATOM   3189 H HD2  . PRO A 1 221 ? -25.558 43.198 46.155  1.000 71.930  ? 229 PRO HHH HD2  1 
ATOM   3190 H HD3  . PRO A 1 221 ? -25.478 42.238 44.892  1.000 70.530  ? 229 PRO HHH HD3  1 
ATOM   3191 N N    . GLU B 2 1   ? 12.933  27.514 2.454   1.000 61.650  ? 1   GLU LLL N    1 
ATOM   3192 C CA   . GLU B 2 1   ? 11.620  27.396 3.092   1.000 59.624  ? 1   GLU LLL CA   1 
ATOM   3193 C C    . GLU B 2 1   ? 10.571  27.531 1.988   1.000 57.690  ? 1   GLU LLL C    1 
ATOM   3194 O O    . GLU B 2 1   ? 10.602  28.528 1.279   1.000 58.303  ? 1   GLU LLL O    1 
ATOM   3195 C CB   . GLU B 2 1   ? 11.498  28.447 4.202   1.000 61.718  ? 1   GLU LLL CB   1 
ATOM   3196 C CG   . GLU B 2 1   ? 10.116  28.570 4.816   1.000 64.272  ? 1   GLU LLL CG   1 
ATOM   3197 C CD   . GLU B 2 1   ? 10.032  29.249 6.188   1.000 67.117  ? 1   GLU LLL CD   1 
ATOM   3198 O OE1  . GLU B 2 1   ? 10.933  29.043 7.019   1.000 69.515  ? 1   GLU LLL OE1  1 
ATOM   3199 O OE2  . GLU B 2 1   ? 9.058   29.989 6.433   1.000 69.233  ? 1   GLU LLL OE2  1 
ATOM   3200 H H1   . GLU B 2 1   ? 13.585  27.460 3.088   1.000 61.701  ? 1   GLU LLL H1   1 
ATOM   3201 H H2   . GLU B 2 1   ? 12.998  28.359 2.002   1.000 62.432  ? 1   GLU LLL H2   1 
ATOM   3202 H H3   . GLU B 2 1   ? 13.047  26.802 1.819   1.000 61.602  ? 1   GLU LLL H3   1 
ATOM   3203 H HA   . GLU B 2 1   ? 11.549  26.500 3.493   1.000 58.912  ? 1   GLU LLL HA   1 
ATOM   3204 H HB2  . GLU B 2 1   ? 12.138  28.222 4.910   1.000 62.139  ? 1   GLU LLL HB2  1 
ATOM   3205 H HB3  . GLU B 2 1   ? 11.756  29.317 3.833   1.000 63.072  ? 1   GLU LLL HB3  1 
ATOM   3206 H HG2  . GLU B 2 1   ? 9.544   29.072 4.196   1.000 64.243  ? 1   GLU LLL HG2  1 
ATOM   3207 H HG3  . GLU B 2 1   ? 9.733   27.672 4.899   1.000 63.147  ? 1   GLU LLL HG3  1 
ATOM   3208 N N    . ILE B 2 2   ? 9.696   26.538 1.841   1.000 53.891  ? 2   ILE LLL N    1 
ATOM   3209 C CA   . ILE B 2 2   ? 8.392   26.685 1.127   1.000 51.031  ? 2   ILE LLL CA   1 
ATOM   3210 C C    . ILE B 2 2   ? 7.427   27.480 2.018   1.000 49.168  ? 2   ILE LLL C    1 
ATOM   3211 O O    . ILE B 2 2   ? 7.130   27.026 3.156   1.000 48.028  ? 2   ILE LLL O    1 
ATOM   3212 C CB   . ILE B 2 2   ? 7.807   25.323 0.723   1.000 49.790  ? 2   ILE LLL CB   1 
ATOM   3213 C CG1  . ILE B 2 2   ? 8.816   24.508 -0.090  1.000 50.558  ? 2   ILE LLL CG1  1 
ATOM   3214 C CG2  . ILE B 2 2   ? 6.484   25.513 -0.004  1.000 49.418  ? 2   ILE LLL CG2  1 
ATOM   3215 C CD1  . ILE B 2 2   ? 8.303   23.170 -0.538  1.000 49.835  ? 2   ILE LLL CD1  1 
ATOM   3216 H H    . ILE B 2 2   ? 9.832   25.707 2.190   1.000 53.292  ? 2   ILE LLL H    1 
ATOM   3217 H HA   . ILE B 2 2   ? 8.550   27.196 0.314   1.000 52.210  ? 2   ILE LLL HA   1 
ATOM   3218 H HB   . ILE B 2 2   ? 7.623   24.821 1.555   1.000 48.890  ? 2   ILE LLL HB   1 
ATOM   3219 H HG12 . ILE B 2 2   ? 9.073   25.026 -0.879  1.000 51.544  ? 2   ILE LLL HG12 1 
ATOM   3220 H HG13 . ILE B 2 2   ? 9.620   24.367 0.452   1.000 50.541  ? 2   ILE LLL HG13 1 
ATOM   3221 H HG21 . ILE B 2 2   ? 5.832   25.910 0.599   1.000 48.939  ? 2   ILE LLL HG21 1 
ATOM   3222 H HG22 . ILE B 2 2   ? 6.151   24.653 -0.311  1.000 49.256  ? 2   ILE LLL HG22 1 
ATOM   3223 H HG23 . ILE B 2 2   ? 6.614   26.100 -0.769  1.000 50.516  ? 2   ILE LLL HG23 1 
ATOM   3224 H HD11 . ILE B 2 2   ? 7.758   22.778 0.166   1.000 48.944  ? 2   ILE LLL HD11 1 
ATOM   3225 H HD12 . ILE B 2 2   ? 9.054   22.582 -0.730  1.000 50.206  ? 2   ILE LLL HD12 1 
ATOM   3226 H HD13 . ILE B 2 2   ? 7.765   23.279 -1.341  1.000 50.320  ? 2   ILE LLL HD13 1 
ATOM   3227 N N    . VAL B 2 3   ? 6.991   28.632 1.520   1.000 45.919  ? 3   VAL LLL N    1 
ATOM   3228 C CA   . VAL B 2 3   ? 6.003   29.523 2.176   1.000 46.175  ? 3   VAL LLL CA   1 
ATOM   3229 C C    . VAL B 2 3   ? 4.635   29.151 1.615   1.000 45.230  ? 3   VAL LLL C    1 
ATOM   3230 O O    . VAL B 2 3   ? 4.487   29.200 0.378   1.000 45.319  ? 3   VAL LLL O    1 
ATOM   3231 C CB   . VAL B 2 3   ? 6.325   31.009 1.924   1.000 47.538  ? 3   VAL LLL CB   1 
ATOM   3232 C CG1  . VAL B 2 3   ? 5.248   31.931 2.500   1.000 47.164  ? 3   VAL LLL CG1  1 
ATOM   3233 C CG2  . VAL B 2 3   ? 7.701   31.345 2.465   1.000 47.640  ? 3   VAL LLL CG2  1 
ATOM   3234 H H    . VAL B 2 3   ? 7.281   28.955 0.718   1.000 48.034  ? 3   VAL LLL H    1 
ATOM   3235 H HA   . VAL B 2 3   ? 6.013   29.354 3.135   1.000 45.135  ? 3   VAL LLL HA   1 
ATOM   3236 H HB   . VAL B 2 3   ? 6.345   31.145 0.945   1.000 48.362  ? 3   VAL LLL HB   1 
ATOM   3237 H HG11 . VAL B 2 3   ? 4.501   31.988 1.879   1.000 47.305  ? 3   VAL LLL HG11 1 
ATOM   3238 H HG12 . VAL B 2 3   ? 5.620   32.820 2.640   1.000 47.829  ? 3   VAL LLL HG12 1 
ATOM   3239 H HG13 . VAL B 2 3   ? 4.935   31.574 3.350   1.000 46.073  ? 3   VAL LLL HG13 1 
ATOM   3240 H HG21 . VAL B 2 3   ? 7.759   31.070 3.397   1.000 46.967  ? 3   VAL LLL HG21 1 
ATOM   3241 H HG22 . VAL B 2 3   ? 7.852   32.304 2.400   1.000 48.642  ? 3   VAL LLL HG22 1 
ATOM   3242 H HG23 . VAL B 2 3   ? 8.378   30.876 1.947   1.000 48.357  ? 3   VAL LLL HG23 1 
ATOM   3243 N N    . LEU B 2 4   ? 3.691   28.820 2.495   1.000 41.955  ? 4   LEU LLL N    1 
ATOM   3244 C CA   . LEU B 2 4   ? 2.276   28.566 2.126   1.000 42.832  ? 4   LEU LLL CA   1 
ATOM   3245 C C    . LEU B 2 4   ? 1.430   29.775 2.520   1.000 42.666  ? 4   LEU LLL C    1 
ATOM   3246 O O    . LEU B 2 4   ? 1.439   30.156 3.695   1.000 42.193  ? 4   LEU LLL O    1 
ATOM   3247 C CB   . LEU B 2 4   ? 1.781   27.285 2.807   1.000 41.574  ? 4   LEU LLL CB   1 
ATOM   3248 C CG   . LEU B 2 4   ? 2.628   26.034 2.556   1.000 41.158  ? 4   LEU LLL CG   1 
ATOM   3249 C CD1  . LEU B 2 4   ? 2.062   24.855 3.324   1.000 41.000  ? 4   LEU LLL CD1  1 
ATOM   3250 C CD2  . LEU B 2 4   ? 2.713   25.719 1.079   1.000 43.440  ? 4   LEU LLL CD2  1 
ATOM   3251 H H    . LEU B 2 4   ? 3.859   28.727 3.386   1.000 42.071  ? 4   LEU LLL H    1 
ATOM   3252 H HA   . LEU B 2 4   ? 2.228   28.453 1.151   1.000 43.300  ? 4   LEU LLL HA   1 
ATOM   3253 H HB2  . LEU B 2 4   ? 1.743   27.444 3.771   1.000 40.875  ? 4   LEU LLL HB2  1 
ATOM   3254 H HB3  . LEU B 2 4   ? 0.869   27.108 2.502   1.000 41.484  ? 4   LEU LLL HB3  1 
ATOM   3255 H HG   . LEU B 2 4   ? 3.543   26.208 2.888   1.000 41.723  ? 4   LEU LLL HG   1 
ATOM   3256 H HD11 . LEU B 2 4   ? 2.115   25.034 4.279   1.000 40.180  ? 4   LEU LLL HD11 1 
ATOM   3257 H HD12 . LEU B 2 4   ? 2.575   24.056 3.115   1.000 40.744  ? 4   LEU LLL HD12 1 
ATOM   3258 H HD13 . LEU B 2 4   ? 1.133   24.718 3.072   1.000 40.689  ? 4   LEU LLL HD13 1 
ATOM   3259 H HD21 . LEU B 2 4   ? 1.843   25.859 0.666   1.000 43.237  ? 4   LEU LLL HD21 1 
ATOM   3260 H HD22 . LEU B 2 4   ? 2.984   24.792 0.958   1.000 42.876  ? 4   LEU LLL HD22 1 
ATOM   3261 H HD23 . LEU B 2 4   ? 3.368   26.304 0.661   1.000 43.784  ? 4   LEU LLL HD23 1 
ATOM   3262 N N    . THR B 2 5   ? 0.725   30.329 1.540   1.000 44.973  ? 5   THR LLL N    1 
ATOM   3263 C CA   . THR B 2 5   ? -0.187  31.483 1.665   1.000 44.528  ? 5   THR LLL CA   1 
ATOM   3264 C C    . THR B 2 5   ? -1.616  30.951 1.528   1.000 44.322  ? 5   THR LLL C    1 
ATOM   3265 O O    . THR B 2 5   ? -1.977  30.459 0.432   1.000 44.982  ? 5   THR LLL O    1 
ATOM   3266 C CB   . THR B 2 5   ? 0.146   32.527 0.593   1.000 46.725  ? 5   THR LLL CB   1 
ATOM   3267 O OG1  . THR B 2 5   ? 1.537   32.794 0.729   1.000 46.271  ? 5   THR LLL OG1  1 
ATOM   3268 C CG2  . THR B 2 5   ? -0.670  33.798 0.713   1.000 47.090  ? 5   THR LLL CG2  1 
ATOM   3269 H H    . THR B 2 5   ? 0.758   30.018 0.684   1.000 45.077  ? 5   THR LLL H    1 
ATOM   3270 H HA   . THR B 2 5   ? -0.072  31.884 2.557   1.000 44.251  ? 5   THR LLL HA   1 
ATOM   3271 H HB   . THR B 2 5   ? -0.017  32.125 -0.294  1.000 47.039  ? 5   THR LLL HB   1 
ATOM   3272 H HG1  . THR B 2 5   ? 1.773   33.377 0.168   0.000 30.000  ? 5   THR LLL HG1  1 
ATOM   3273 H HG21 . THR B 2 5   ? -1.584  33.627 0.423   1.000 47.160  ? 5   THR LLL HG21 1 
ATOM   3274 H HG22 . THR B 2 5   ? -0.277  34.491 0.153   1.000 48.268  ? 5   THR LLL HG22 1 
ATOM   3275 H HG23 . THR B 2 5   ? -0.675  34.095 1.641   1.000 46.413  ? 5   THR LLL HG23 1 
ATOM   3276 N N    . GLN B 2 6   ? -2.388  31.018 2.603   1.000 43.372  ? 6   GLN LLL N    1 
ATOM   3277 C CA   . GLN B 2 6   ? -3.808  30.605 2.589   1.000 43.076  ? 6   GLN LLL CA   1 
ATOM   3278 C C    . GLN B 2 6   ? -4.667  31.850 2.390   1.000 46.699  ? 6   GLN LLL C    1 
ATOM   3279 O O    . GLN B 2 6   ? -4.253  32.912 2.832   1.000 48.386  ? 6   GLN LLL O    1 
ATOM   3280 C CB   . GLN B 2 6   ? -4.158  29.909 3.889   1.000 39.940  ? 6   GLN LLL CB   1 
ATOM   3281 C CG   . GLN B 2 6   ? -3.459  28.567 4.046   1.000 38.837  ? 6   GLN LLL CG   1 
ATOM   3282 C CD   . GLN B 2 6   ? -3.914  27.879 5.308   1.000 37.352  ? 6   GLN LLL CD   1 
ATOM   3283 O OE1  . GLN B 2 6   ? -3.124  27.652 6.229   1.000 35.759  ? 6   GLN LLL OE1  1 
ATOM   3284 N NE2  . GLN B 2 6   ? -5.209  27.572 5.366   1.000 36.070  ? 6   GLN LLL NE2  1 
ATOM   3285 H H    . GLN B 2 6   ? -2.094  31.323 3.410   1.000 42.816  ? 6   GLN LLL H    1 
ATOM   3286 H HA   . GLN B 2 6   ? -3.953  29.988 1.840   1.000 43.677  ? 6   GLN LLL HA   1 
ATOM   3287 H HB2  . GLN B 2 6   ? -3.909  30.493 4.635   1.000 39.866  ? 6   GLN LLL HB2  1 
ATOM   3288 H HB3  . GLN B 2 6   ? -5.128  29.775 3.921   1.000 40.254  ? 6   GLN LLL HB3  1 
ATOM   3289 H HG2  . GLN B 2 6   ? -3.663  28.000 3.272   1.000 39.287  ? 6   GLN LLL HG2  1 
ATOM   3290 H HG3  . GLN B 2 6   ? -2.488  28.704 4.079   1.000 38.872  ? 6   GLN LLL HG3  1 
ATOM   3291 H HE21 . GLN B 2 6   ? -5.539  27.161 6.096   0.000 30.000  ? 6   GLN LLL HE21 1 
ATOM   3292 H HE22 . GLN B 2 6   ? -5.754  27.765 4.706   0.000 30.000  ? 6   GLN LLL HE22 1 
ATOM   3293 N N    . SER B 2 7   ? -5.782  31.711 1.690   1.000 47.225  ? 7   SER LLL N    1 
ATOM   3294 C CA   . SER B 2 7   ? -6.772  32.784 1.513   1.000 50.906  ? 7   SER LLL CA   1 
ATOM   3295 C C    . SER B 2 7   ? -8.143  32.143 1.377   1.000 51.904  ? 7   SER LLL C    1 
ATOM   3296 O O    . SER B 2 7   ? -8.270  30.975 1.039   1.000 49.388  ? 7   SER LLL O    1 
ATOM   3297 C CB   . SER B 2 7   ? -6.433  33.665 0.348   1.000 53.866  ? 7   SER LLL CB   1 
ATOM   3298 O OG   . SER B 2 7   ? -6.393  32.888 -0.819  1.000 53.592  ? 7   SER LLL OG   1 
ATOM   3299 H H    . SER B 2 7   ? -6.015  30.941 1.260   1.000 48.033  ? 7   SER LLL H    1 
ATOM   3300 H HA   . SER B 2 7   ? -6.760  33.336 2.334   1.000 50.215  ? 7   SER LLL HA   1 
ATOM   3301 H HB2  . SER B 2 7   ? -7.110  34.371 0.255   1.000 53.873  ? 7   SER LLL HB2  1 
ATOM   3302 H HB3  . SER B 2 7   ? -5.558  34.089 0.497   1.000 53.248  ? 7   SER LLL HB3  1 
ATOM   3303 H HG   . SER B 2 7   ? -6.230  33.363 -1.474  0.000 30.000  ? 7   SER LLL HG   1 
ATOM   3304 N N    . PRO B 2 8   ? -9.192  32.867 1.799   1.000 55.518  ? 8   PRO LLL N    1 
ATOM   3305 C CA   . PRO B 2 8   ? -8.993  34.129 2.515   1.000 53.302  ? 8   PRO LLL CA   1 
ATOM   3306 C C    . PRO B 2 8   ? -8.526  33.885 3.960   1.000 49.586  ? 8   PRO LLL C    1 
ATOM   3307 O O    . PRO B 2 8   ? -8.442  32.750 4.375   1.000 48.727  ? 8   PRO LLL O    1 
ATOM   3308 C CB   . PRO B 2 8   ? -10.392 34.749 2.475   1.000 56.516  ? 8   PRO LLL CB   1 
ATOM   3309 C CG   . PRO B 2 8   ? -11.311 33.541 2.498   1.000 58.091  ? 8   PRO LLL CG   1 
ATOM   3310 C CD   . PRO B 2 8   ? -10.605 32.481 1.666   1.000 57.546  ? 8   PRO LLL CD   1 
ATOM   3311 H HA   . PRO B 2 8   ? -8.356  34.709 2.029   1.000 54.310  ? 8   PRO LLL HA   1 
ATOM   3312 H HB2  . PRO B 2 8   ? -10.547 35.325 3.254   1.000 55.879  ? 8   PRO LLL HB2  1 
ATOM   3313 H HB3  . PRO B 2 8   ? -10.522 35.275 1.657   1.000 57.486  ? 8   PRO LLL HB3  1 
ATOM   3314 H HG2  . PRO B 2 8   ? -11.448 33.226 3.415   1.000 56.552  ? 8   PRO LLL HG2  1 
ATOM   3315 H HG3  . PRO B 2 8   ? -12.180 33.763 2.107   1.000 58.385  ? 8   PRO LLL HG3  1 
ATOM   3316 H HD2  . PRO B 2 8   ? -10.762 31.587 2.022   1.000 56.732  ? 8   PRO LLL HD2  1 
ATOM   3317 H HD3  . PRO B 2 8   ? -10.893 32.511 0.734   1.000 58.452  ? 8   PRO LLL HD3  1 
ATOM   3318 N N    . GLY B 2 9   ? -8.215  34.963 4.685   1.000 50.032  ? 9   GLY LLL N    1 
ATOM   3319 C CA   . GLY B 2 9   ? -7.918  34.935 6.125   1.000 47.425  ? 9   GLY LLL CA   1 
ATOM   3320 C C    . GLY B 2 9   ? -9.162  34.513 6.877   1.000 47.019  ? 9   GLY LLL C    1 
ATOM   3321 O O    . GLY B 2 9   ? -9.054  33.714 7.846   1.000 45.481  ? 9   GLY LLL O    1 
ATOM   3322 H H    . GLY B 2 9   ? -8.168  35.794 4.315   1.000 50.292  ? 9   GLY LLL H    1 
ATOM   3323 H HA2  . GLY B 2 9   ? -7.185  34.293 6.300   1.000 47.246  ? 9   GLY LLL HA2  1 
ATOM   3324 H HA3  . GLY B 2 9   ? -7.635  35.836 6.422   1.000 47.906  ? 9   GLY LLL HA3  1 
ATOM   3325 N N    . THR B 2 10  ? -10.323 34.988 6.420   1.000 48.426  ? 10  THR LLL N    1 
ATOM   3326 C CA   . THR B 2 10  ? -11.619 34.730 7.089   1.000 48.693  ? 10  THR LLL CA   1 
ATOM   3327 C C    . THR B 2 10  ? -12.711 34.536 6.048   1.000 49.002  ? 10  THR LLL C    1 
ATOM   3328 O O    . THR B 2 10  ? -12.795 35.293 5.094   1.000 53.388  ? 10  THR LLL O    1 
ATOM   3329 C CB   . THR B 2 10  ? -11.951 35.825 8.111   1.000 50.372  ? 10  THR LLL CB   1 
ATOM   3330 O OG1  . THR B 2 10  ? -10.810 35.950 8.966   1.000 48.661  ? 10  THR LLL OG1  1 
ATOM   3331 C CG2  . THR B 2 10  ? -13.186 35.517 8.932   1.000 50.005  ? 10  THR LLL CG2  1 
ATOM   3332 H H    . THR B 2 10  ? -10.403 35.511 5.679   1.000 49.253  ? 10  THR LLL H    1 
ATOM   3333 H HA   . THR B 2 10  ? -11.525 33.886 7.582   1.000 48.091  ? 10  THR LLL HA   1 
ATOM   3334 H HB   . THR B 2 10  ? -12.088 36.675 7.627   1.000 50.557  ? 10  THR LLL HB   1 
ATOM   3335 H HG1  . THR B 2 10  ? -10.934 36.535 9.530   0.000 30.000  ? 10  THR LLL HG1  1 
ATOM   3336 H HG21 . THR B 2 10  ? -13.983 35.658 8.389   1.000 50.844  ? 10  THR LLL HG21 1 
ATOM   3337 H HG22 . THR B 2 10  ? -13.216 36.105 9.708   1.000 49.714  ? 10  THR LLL HG22 1 
ATOM   3338 H HG23 . THR B 2 10  ? -13.157 34.590 9.229   1.000 49.573  ? 10  THR LLL HG23 1 
ATOM   3339 N N    . LEU B 2 11  ? -13.544 33.545 6.290   1.000 47.889  ? 11  LEU LLL N    1 
ATOM   3340 C CA   . LEU B 2 11  ? -14.644 33.130 5.420   1.000 51.640  ? 11  LEU LLL CA   1 
ATOM   3341 C C    . LEU B 2 11  ? -15.863 33.090 6.330   1.000 50.498  ? 11  LEU LLL C    1 
ATOM   3342 O O    . LEU B 2 11  ? -15.794 32.398 7.357   1.000 48.916  ? 11  LEU LLL O    1 
ATOM   3343 C CB   . LEU B 2 11  ? -14.225 31.758 4.902   1.000 54.494  ? 11  LEU LLL CB   1 
ATOM   3344 C CG   . LEU B 2 11  ? -14.870 31.229 3.633   1.000 59.360  ? 11  LEU LLL CG   1 
ATOM   3345 C CD1  . LEU B 2 11  ? -14.888 32.266 2.516   1.000 61.273  ? 11  LEU LLL CD1  1 
ATOM   3346 C CD2  . LEU B 2 11  ? -14.110 29.979 3.201   1.000 60.380  ? 11  LEU LLL CD2  1 
ATOM   3347 H H    . LEU B 2 11  ? -13.479 33.037 7.044   1.000 47.959  ? 11  LEU LLL H    1 
ATOM   3348 H HA   . LEU B 2 11  ? -14.770 33.776 4.688   1.000 52.392  ? 11  LEU LLL HA   1 
ATOM   3349 H HB2  . LEU B 2 11  ? -13.258 31.780 4.756   1.000 54.114  ? 11  LEU LLL HB2  1 
ATOM   3350 H HB3  . LEU B 2 11  ? -14.389 31.107 5.614   1.000 53.910  ? 11  LEU LLL HB3  1 
ATOM   3351 H HG   . LEU B 2 11  ? -15.802 30.975 3.840   1.000 59.451  ? 11  LEU LLL HG   1 
ATOM   3352 H HD11 . LEU B 2 11  ? -15.631 32.879 2.653   1.000 61.597  ? 11  LEU LLL HD11 1 
ATOM   3353 H HD12 . LEU B 2 11  ? -14.991 31.818 1.659   1.000 61.927  ? 11  LEU LLL HD12 1 
ATOM   3354 H HD13 . LEU B 2 11  ? -14.053 32.764 2.523   1.000 60.682  ? 11  LEU LLL HD13 1 
ATOM   3355 H HD21 . LEU B 2 11  ? -13.204 30.223 2.941   1.000 59.668  ? 11  LEU LLL HD21 1 
ATOM   3356 H HD22 . LEU B 2 11  ? -14.564 29.568 2.445   1.000 60.906  ? 11  LEU LLL HD22 1 
ATOM   3357 H HD23 . LEU B 2 11  ? -14.075 29.347 3.940   1.000 59.173  ? 11  LEU LLL HD23 1 
ATOM   3358 N N    . SER B 2 12  ? -16.881 33.891 6.059   1.000 50.011  ? 12  SER LLL N    1 
ATOM   3359 C CA   . SER B 2 12  ? -18.091 33.951 6.910   1.000 50.277  ? 12  SER LLL CA   1 
ATOM   3360 C C    . SER B 2 12  ? -19.201 33.333 6.104   1.000 50.926  ? 12  SER LLL C    1 
ATOM   3361 O O    . SER B 2 12  ? -19.548 33.921 5.129   1.000 51.759  ? 12  SER LLL O    1 
ATOM   3362 C CB   . SER B 2 12  ? -18.453 35.351 7.296   1.000 51.881  ? 12  SER LLL CB   1 
ATOM   3363 O OG   . SER B 2 12  ? -17.294 36.117 7.498   1.000 51.089  ? 12  SER LLL OG   1 
ATOM   3364 H H    . SER B 2 12  ? -16.918 34.456 5.344   1.000 51.200  ? 12  SER LLL H    1 
ATOM   3365 H HA   . SER B 2 12  ? -17.940 33.413 7.729   1.000 49.510  ? 12  SER LLL HA   1 
ATOM   3366 H HB2  . SER B 2 12  ? -18.997 35.761 6.587   1.000 52.688  ? 12  SER LLL HB2  1 
ATOM   3367 H HB3  . SER B 2 12  ? -18.988 35.335 8.121   1.000 51.301  ? 12  SER LLL HB3  1 
ATOM   3368 H HG   . SER B 2 12  ? -17.506 36.843 7.754   0.000 30.000  ? 12  SER LLL HG   1 
ATOM   3369 N N    . LEU B 2 13  ? -19.710 32.187 6.505   1.000 53.676  ? 13  LEU LLL N    1 
ATOM   3370 C CA   . LEU B 2 13  ? -20.727 31.477 5.699   1.000 57.159  ? 13  LEU LLL CA   1 
ATOM   3371 C C    . LEU B 2 13  ? -21.822 30.933 6.618   1.000 57.909  ? 13  LEU LLL C    1 
ATOM   3372 O O    . LEU B 2 13  ? -21.599 30.806 7.855   1.000 56.858  ? 13  LEU LLL O    1 
ATOM   3373 C CB   . LEU B 2 13  ? -20.039 30.350 4.923   1.000 58.464  ? 13  LEU LLL CB   1 
ATOM   3374 C CG   . LEU B 2 13  ? -18.906 30.772 3.989   1.000 59.290  ? 13  LEU LLL CG   1 
ATOM   3375 C CD1  . LEU B 2 13  ? -18.070 29.555 3.596   1.000 60.370  ? 13  LEU LLL CD1  1 
ATOM   3376 C CD2  . LEU B 2 13  ? -19.440 31.473 2.748   1.000 60.348  ? 13  LEU LLL CD2  1 
ATOM   3377 H H    . LEU B 2 13  ? -19.471 31.770 7.279   1.000 52.560  ? 13  LEU LLL H    1 
ATOM   3378 H HA   . LEU B 2 13  ? -21.133 32.114 5.067   1.000 58.118  ? 13  LEU LLL HA   1 
ATOM   3379 H HB2  . LEU B 2 13  ? -19.682 29.709 5.569   1.000 57.471  ? 13  LEU LLL HB2  1 
ATOM   3380 H HB3  . LEU B 2 13  ? -20.717 29.885 4.393   1.000 59.537  ? 13  LEU LLL HB3  1 
ATOM   3381 H HG   . LEU B 2 13  ? -18.320 31.403 4.473   1.000 58.314  ? 13  LEU LLL HG   1 
ATOM   3382 H HD11 . LEU B 2 13  ? -17.507 29.292 4.344   1.000 58.697  ? 13  LEU LLL HD11 1 
ATOM   3383 H HD12 . LEU B 2 13  ? -17.510 29.778 2.831   1.000 60.129  ? 13  LEU LLL HD12 1 
ATOM   3384 H HD13 . LEU B 2 13  ? -18.660 28.818 3.360   1.000 60.602  ? 13  LEU LLL HD13 1 
ATOM   3385 H HD21 . LEU B 2 13  ? -20.023 30.868 2.258   1.000 61.574  ? 13  LEU LLL HD21 1 
ATOM   3386 H HD22 . LEU B 2 13  ? -18.696 31.738 2.178   1.000 60.521  ? 13  LEU LLL HD22 1 
ATOM   3387 H HD23 . LEU B 2 13  ? -19.942 32.264 3.011   1.000 60.871  ? 13  LEU LLL HD23 1 
ATOM   3388 N N    . SER B 2 14  ? -22.955 30.639 6.003   1.000 57.160  ? 14  SER LLL N    1 
ATOM   3389 C CA   . SER B 2 14  ? -24.119 29.945 6.575   1.000 58.891  ? 14  SER LLL CA   1 
ATOM   3390 C C    . SER B 2 14  ? -23.823 28.469 6.651   1.000 58.813  ? 14  SER LLL C    1 
ATOM   3391 O O    . SER B 2 14  ? -23.406 27.873 5.659   1.000 62.741  ? 14  SER LLL O    1 
ATOM   3392 C CB   . SER B 2 14  ? -25.317 30.113 5.689   1.000 61.777  ? 14  SER LLL CB   1 
ATOM   3393 O OG   . SER B 2 14  ? -25.842 31.407 5.842   1.000 62.473  ? 14  SER LLL OG   1 
ATOM   3394 H H    . SER B 2 14  ? -23.095 30.860 5.130   1.000 58.867  ? 14  SER LLL H    1 
ATOM   3395 H HA   . SER B 2 14  ? -24.309 30.306 7.479   1.000 58.349  ? 14  SER LLL HA   1 
ATOM   3396 H HB2  . SER B 2 14  ? -25.059 29.969 4.750   1.000 62.225  ? 14  SER LLL HB2  1 
ATOM   3397 H HB3  . SER B 2 14  ? -25.999 29.447 5.926   1.000 62.463  ? 14  SER LLL HB3  1 
ATOM   3398 H HG   . SER B 2 14  ? -26.539 31.414 5.347   0.000 30.000  ? 14  SER LLL HG   1 
ATOM   3399 N N    . PRO B 2 15  ? -24.211 27.809 7.753   1.000 58.200  ? 15  PRO LLL N    1 
ATOM   3400 C CA   . PRO B 2 15  ? -24.254 26.352 7.744   1.000 58.561  ? 15  PRO LLL CA   1 
ATOM   3401 C C    . PRO B 2 15  ? -25.063 25.972 6.492   1.000 59.439  ? 15  PRO LLL C    1 
ATOM   3402 O O    . PRO B 2 15  ? -25.990 26.703 6.147   1.000 61.094  ? 15  PRO LLL O    1 
ATOM   3403 C CB   . PRO B 2 15  ? -24.959 25.971 9.063   1.000 60.782  ? 15  PRO LLL CB   1 
ATOM   3404 C CG   . PRO B 2 15  ? -24.960 27.238 9.913   1.000 58.511  ? 15  PRO LLL CG   1 
ATOM   3405 C CD   . PRO B 2 15  ? -24.771 28.414 8.971   1.000 58.480  ? 15  PRO LLL CD   1 
ATOM   3406 H HA   . PRO B 2 15  ? -23.338 25.978 7.713   1.000 57.686  ? 15  PRO LLL HA   1 
ATOM   3407 H HB2  . PRO B 2 15  ? -25.877 25.670 8.892   1.000 61.429  ? 15  PRO LLL HB2  1 
ATOM   3408 H HB3  . PRO B 2 15  ? -24.473 25.251 9.519   1.000 59.323  ? 15  PRO LLL HB3  1 
ATOM   3409 H HG2  . PRO B 2 15  ? -25.808 27.323 10.395  1.000 59.613  ? 15  PRO LLL HG2  1 
ATOM   3410 H HG3  . PRO B 2 15  ? -24.234 27.209 10.569  1.000 57.524  ? 15  PRO LLL HG3  1 
ATOM   3411 H HD2  . PRO B 2 15  ? -25.621 28.852 8.783   1.000 59.486  ? 15  PRO LLL HD2  1 
ATOM   3412 H HD3  . PRO B 2 15  ? -24.155 29.068 9.350   1.000 57.216  ? 15  PRO LLL HD3  1 
ATOM   3413 N N    . GLY B 2 16  ? -24.706 24.869 5.838   1.000 58.444  ? 16  GLY LLL N    1 
ATOM   3414 C CA   . GLY B 2 16  ? -25.354 24.397 4.606   1.000 58.090  ? 16  GLY LLL CA   1 
ATOM   3415 C C    . GLY B 2 16  ? -24.620 24.880 3.373   1.000 58.425  ? 16  GLY LLL C    1 
ATOM   3416 O O    . GLY B 2 16  ? -24.779 24.251 2.330   1.000 59.809  ? 16  GLY LLL O    1 
ATOM   3417 H H    . GLY B 2 16  ? -24.027 24.336 6.126   1.000 57.229  ? 16  GLY LLL H    1 
ATOM   3418 H HA2  . GLY B 2 16  ? -25.374 23.407 4.611   1.000 59.269  ? 16  GLY LLL HA2  1 
ATOM   3419 H HA3  . GLY B 2 16  ? -26.288 24.724 4.583   1.000 60.050  ? 16  GLY LLL HA3  1 
ATOM   3420 N N    . ALA B 2 17  ? -23.840 25.955 3.474   1.000 57.916  ? 17  ALA LLL N    1 
ATOM   3421 C CA   . ALA B 2 17  ? -23.081 26.529 2.336   1.000 58.144  ? 17  ALA LLL CA   1 
ATOM   3422 C C    . ALA B 2 17  ? -21.824 25.705 2.000   1.000 56.860  ? 17  ALA LLL C    1 
ATOM   3423 O O    . ALA B 2 17  ? -21.297 24.977 2.847   1.000 56.467  ? 17  ALA LLL O    1 
ATOM   3424 C CB   . ALA B 2 17  ? -22.701 27.947 2.649   1.000 56.508  ? 17  ALA LLL CB   1 
ATOM   3425 H H    . ALA B 2 17  ? -23.712 26.419 4.246   1.000 56.808  ? 17  ALA LLL H    1 
ATOM   3426 H HA   . ALA B 2 17  ? -23.669 26.530 1.544   1.000 59.493  ? 17  ALA LLL HA   1 
ATOM   3427 H HB1  . ALA B 2 17  ? -22.355 28.375 1.848   1.000 57.097  ? 17  ALA LLL HB1  1 
ATOM   3428 H HB2  . ALA B 2 17  ? -23.483 28.432 2.961   1.000 57.332  ? 17  ALA LLL HB2  1 
ATOM   3429 H HB3  . ALA B 2 17  ? -22.018 27.956 3.340   1.000 55.248  ? 17  ALA LLL HB3  1 
ATOM   3430 N N    . ARG B 2 18  ? -21.340 25.871 0.778   1.000 58.177  ? 18  ARG LLL N    1 
ATOM   3431 C CA   . ARG B 2 18  ? -20.066 25.319 0.277   1.000 57.895  ? 18  ARG LLL CA   1 
ATOM   3432 C C    . ARG B 2 18  ? -18.972 26.286 0.725   1.000 54.945  ? 18  ARG LLL C    1 
ATOM   3433 O O    . ARG B 2 18  ? -19.249 27.473 0.739   1.000 54.260  ? 18  ARG LLL O    1 
ATOM   3434 C CB   . ARG B 2 18  ? -20.184 25.139 -1.235  1.000 61.645  ? 18  ARG LLL CB   1 
ATOM   3435 C CG   . ARG B 2 18  ? -18.905 24.761 -1.967  1.000 65.802  ? 18  ARG LLL CG   1 
ATOM   3436 C CD   . ARG B 2 18  ? -19.173 24.825 -3.471  1.000 72.278  ? 18  ARG LLL CD   1 
ATOM   3437 N NE   . ARG B 2 18  ? -18.161 24.147 -4.270  1.000 76.572  ? 18  ARG LLL NE   1 
ATOM   3438 C CZ   . ARG B 2 18  ? -18.100 22.830 -4.497  1.000 80.049  ? 18  ARG LLL CZ   1 
ATOM   3439 N NH1  . ARG B 2 18  ? -18.989 21.998 -3.976  1.000 81.646  ? 18  ARG LLL NH1  1 
ATOM   3440 N NH2  . ARG B 2 18  ? -17.121 22.336 -5.237  1.000 80.588  ? 18  ARG LLL NH2  1 
ATOM   3441 H H    . ARG B 2 18  ? -21.785 26.362 0.153   1.000 59.330  ? 18  ARG LLL H    1 
ATOM   3442 H HA   . ARG B 2 18  ? -19.915 24.442 0.696   1.000 57.378  ? 18  ARG LLL HA   1 
ATOM   3443 H HB2  . ARG B 2 18  ? -20.855 24.446 -1.408  1.000 63.303  ? 18  ARG LLL HB2  1 
ATOM   3444 H HB3  . ARG B 2 18  ? -20.520 25.976 -1.617  1.000 63.023  ? 18  ARG LLL HB3  1 
ATOM   3445 H HG2  . ARG B 2 18  ? -18.184 25.384 -1.734  1.000 64.526  ? 18  ARG LLL HG2  1 
ATOM   3446 H HG3  . ARG B 2 18  ? -18.631 23.852 -1.718  1.000 65.072  ? 18  ARG LLL HG3  1 
ATOM   3447 H HD2  . ARG B 2 18  ? -20.050 24.426 -3.658  1.000 73.438  ? 18  ARG LLL HD2  1 
ATOM   3448 H HD3  . ARG B 2 18  ? -19.213 25.766 -3.745  1.000 72.574  ? 18  ARG LLL HD3  1 
ATOM   3449 H HE   . ARG B 2 18  ? -17.544 24.643 -4.636  1.000 76.276  ? 18  ARG LLL HE   1 
ATOM   3450 H HH11 . ARG B 2 18  ? -19.643 22.304 -3.479  1.000 81.156  ? 18  ARG LLL HH11 1 
ATOM   3451 H HH12 . ARG B 2 18  ? -18.927 21.136 -4.136  1.000 81.283  ? 18  ARG LLL HH12 1 
ATOM   3452 H HH21 . ARG B 2 18  ? -16.519 22.876 -5.587  1.000 79.990  ? 18  ARG LLL HH21 1 
ATOM   3453 H HH22 . ARG B 2 18  ? -17.076 21.469 -5.386  1.000 80.382  ? 18  ARG LLL HH22 1 
ATOM   3454 N N    . ALA B 2 19  ? -17.809 25.781 1.161   1.000 52.403  ? 19  ALA LLL N    1 
ATOM   3455 C CA   . ALA B 2 19  ? -16.618 26.591 1.498   1.000 49.053  ? 19  ALA LLL CA   1 
ATOM   3456 C C    . ALA B 2 19  ? -15.466 26.136 0.615   1.000 50.865  ? 19  ALA LLL C    1 
ATOM   3457 O O    . ALA B 2 19  ? -15.249 24.915 0.544   1.000 51.156  ? 19  ALA LLL O    1 
ATOM   3458 C CB   . ALA B 2 19  ? -16.264 26.408 2.935   1.000 48.759  ? 19  ALA LLL CB   1 
ATOM   3459 H H    . ALA B 2 19  ? -17.667 24.889 1.284   1.000 51.971  ? 19  ALA LLL H    1 
ATOM   3460 H HA   . ALA B 2 19  ? -16.808 27.541 1.324   1.000 50.421  ? 19  ALA LLL HA   1 
ATOM   3461 H HB1  . ALA B 2 19  ? -15.475 26.934 3.145   1.000 47.501  ? 19  ALA LLL HB1  1 
ATOM   3462 H HB2  . ALA B 2 19  ? -17.005 26.701 3.492   1.000 48.503  ? 19  ALA LLL HB2  1 
ATOM   3463 H HB3  . ALA B 2 19  ? -16.082 25.469 3.108   1.000 48.075  ? 19  ALA LLL HB3  1 
ATOM   3464 N N    . THR B 2 20  ? -14.780 27.074 -0.043  1.000 50.330  ? 20  THR LLL N    1 
ATOM   3465 C CA   . THR B 2 20  ? -13.512 26.811 -0.772  1.000 50.054  ? 20  THR LLL CA   1 
ATOM   3466 C C    . THR B 2 20  ? -12.380 27.566 -0.092  1.000 48.000  ? 20  THR LLL C    1 
ATOM   3467 O O    . THR B 2 20  ? -12.453 28.788 -0.001  1.000 48.449  ? 20  THR LLL O    1 
ATOM   3468 C CB   . THR B 2 20  ? -13.599 27.230 -2.237  1.000 51.609  ? 20  THR LLL CB   1 
ATOM   3469 O OG1  . THR B 2 20  ? -14.788 26.557 -2.625  1.000 51.540  ? 20  THR LLL OG1  1 
ATOM   3470 C CG2  . THR B 2 20  ? -12.384 26.826 -3.048  1.000 52.065  ? 20  THR LLL CG2  1 
ATOM   3471 H H    . THR B 2 20  ? -15.041 27.945 -0.094  1.000 50.835  ? 20  THR LLL H    1 
ATOM   3472 H HA   . THR B 2 20  ? -13.323 25.846 -0.729  1.000 49.611  ? 20  THR LLL HA   1 
ATOM   3473 H HB   . THR B 2 20  ? -13.731 28.206 -2.291  1.000 51.814  ? 20  THR LLL HB   1 
ATOM   3474 H HG1  . THR B 2 20  ? -14.945 26.666 -3.405  0.000 30.000  ? 20  THR LLL HG1  1 
ATOM   3475 H HG21 . THR B 2 20  ? -11.590 27.263 -2.692  1.000 51.089  ? 20  THR LLL HG21 1 
ATOM   3476 H HG22 . THR B 2 20  ? -12.510 27.091 -3.977  1.000 53.209  ? 20  THR LLL HG22 1 
ATOM   3477 H HG23 . THR B 2 20  ? -12.271 25.861 -3.001  1.000 51.626  ? 20  THR LLL HG23 1 
ATOM   3478 N N    . LEU B 2 21  ? -11.376 26.830 0.347   1.000 45.819  ? 21  LEU LLL N    1 
ATOM   3479 C CA   . LEU B 2 21  ? -10.172 27.362 1.001   1.000 45.475  ? 21  LEU LLL CA   1 
ATOM   3480 C C    . LEU B 2 21  ? -8.989  27.129 0.053   1.000 44.404  ? 21  LEU LLL C    1 
ATOM   3481 O O    . LEU B 2 21  ? -8.895  26.019 -0.471  1.000 42.802  ? 21  LEU LLL O    1 
ATOM   3482 C CB   . LEU B 2 21  ? -10.001 26.623 2.337   1.000 45.751  ? 21  LEU LLL CB   1 
ATOM   3483 C CG   . LEU B 2 21  ? -10.895 27.118 3.477   1.000 44.555  ? 21  LEU LLL CG   1 
ATOM   3484 C CD1  . LEU B 2 21  ? -12.320 26.645 3.319   1.000 46.246  ? 21  LEU LLL CD1  1 
ATOM   3485 C CD2  . LEU B 2 21  ? -10.373 26.682 4.816   1.000 43.501  ? 21  LEU LLL CD2  1 
ATOM   3486 H H    . LEU B 2 21  ? -11.366 25.923 0.261   1.000 46.232  ? 21  LEU LLL H    1 
ATOM   3487 H HA   . LEU B 2 21  ? -10.284 28.327 1.157   1.000 45.449  ? 21  LEU LLL HA   1 
ATOM   3488 H HB2  . LEU B 2 21  ? -10.181 25.674 2.190   1.000 45.282  ? 21  LEU LLL HB2  1 
ATOM   3489 H HB3  . LEU B 2 21  ? -9.067  26.705 2.616   1.000 44.525  ? 21  LEU LLL HB3  1 
ATOM   3490 H HG   . LEU B 2 21  ? -10.897 28.107 3.457   1.000 45.038  ? 21  LEU LLL HG   1 
ATOM   3491 H HD11 . LEU B 2 21  ? -12.780 27.211 2.675   1.000 46.870  ? 21  LEU LLL HD11 1 
ATOM   3492 H HD12 . LEU B 2 21  ? -12.777 26.695 4.176   1.000 45.589  ? 21  LEU LLL HD12 1 
ATOM   3493 H HD13 . LEU B 2 21  ? -12.326 25.725 3.003   1.000 46.223  ? 21  LEU LLL HD13 1 
ATOM   3494 H HD21 . LEU B 2 21  ? -10.515 25.726 4.924   1.000 43.365  ? 21  LEU LLL HD21 1 
ATOM   3495 H HD22 . LEU B 2 21  ? -10.845 27.161 5.520   1.000 43.176  ? 21  LEU LLL HD22 1 
ATOM   3496 H HD23 . LEU B 2 21  ? -9.422  26.877 4.874   1.000 42.964  ? 21  LEU LLL HD23 1 
ATOM   3497 N N    . SER B 2 22  ? -8.128  28.131 -0.141  1.000 45.048  ? 22  SER LLL N    1 
ATOM   3498 C CA   . SER B 2 22  ? -6.942  28.050 -1.044  1.000 46.419  ? 22  SER LLL CA   1 
ATOM   3499 C C    . SER B 2 22  ? -5.680  28.070 -0.225  1.000 43.910  ? 22  SER LLL C    1 
ATOM   3500 O O    . SER B 2 22  ? -5.612  28.883 0.722   1.000 41.525  ? 22  SER LLL O    1 
ATOM   3501 C CB   . SER B 2 22  ? -6.808  29.164 -2.021  1.000 46.518  ? 22  SER LLL CB   1 
ATOM   3502 O OG   . SER B 2 22  ? -8.040  29.364 -2.630  1.000 53.152  ? 22  SER LLL OG   1 
ATOM   3503 H H    . SER B 2 22  ? -8.201  28.944 0.265   1.000 44.970  ? 22  SER LLL H    1 
ATOM   3504 H HA   . SER B 2 22  ? -6.985  27.191 -1.543  1.000 46.006  ? 22  SER LLL HA   1 
ATOM   3505 H HB2  . SER B 2 22  ? -6.524  29.988 -1.556  1.000 47.801  ? 22  SER LLL HB2  1 
ATOM   3506 H HB3  . SER B 2 22  ? -6.130  28.935 -2.696  1.000 48.727  ? 22  SER LLL HB3  1 
ATOM   3507 H HG   . SER B 2 22  ? -7.969  29.917 -3.203  0.000 30.000  ? 22  SER LLL HG   1 
ATOM   3508 N N    . CYS B 2 23  ? -4.708  27.318 -0.718  1.000 42.442  ? 23  CYS LLL N    1 
ATOM   3509 C CA   . CYS B 2 23  ? -3.329  27.270 -0.204  1.000 45.582  ? 23  CYS LLL CA   1 
ATOM   3510 C C    . CYS B 2 23  ? -2.395  27.359 -1.404  1.000 46.092  ? 23  CYS LLL C    1 
ATOM   3511 O O    . CYS B 2 23  ? -2.474  26.451 -2.237  1.000 44.147  ? 23  CYS LLL O    1 
ATOM   3512 C CB   . CYS B 2 23  ? -3.093  25.973 0.561   1.000 44.943  ? 23  CYS LLL CB   1 
ATOM   3513 S SG   . CYS B 2 23  ? -1.417  25.830 1.225   1.000 47.532  ? 23  CYS LLL SG   1 
ATOM   3514 H H    . CYS B 2 23  ? -4.828  26.758 -1.427  1.000 44.239  ? 23  CYS LLL H    1 
ATOM   3515 H HA   . CYS B 2 23  ? -3.178  28.038 0.394   1.000 44.469  ? 23  CYS LLL HA   1 
ATOM   3516 H HB2  . CYS B 2 23  ? -3.726  25.922 1.305   1.000 44.959  ? 23  CYS LLL HB2  1 
ATOM   3517 H HB3  . CYS B 2 23  ? -3.262  25.213 -0.032  1.000 45.896  ? 23  CYS LLL HB3  1 
ATOM   3518 N N    . ARG B 2 24  ? -1.640  28.456 -1.536  1.000 49.561  ? 24  ARG LLL N    1 
ATOM   3519 C CA   . ARG B 2 24  ? -0.615  28.596 -2.614  1.000 52.126  ? 24  ARG LLL CA   1 
ATOM   3520 C C    . ARG B 2 24  ? 0.765   28.435 -1.997  1.000 46.700  ? 24  ARG LLL C    1 
ATOM   3521 O O    . ARG B 2 24  ? 1.036   29.098 -0.957  1.000 47.285  ? 24  ARG LLL O    1 
ATOM   3522 C CB   . ARG B 2 24  ? -0.574  29.949 -3.343  1.000 57.369  ? 24  ARG LLL CB   1 
ATOM   3523 C CG   . ARG B 2 24  ? -1.903  30.504 -3.813  1.000 64.315  ? 24  ARG LLL CG   1 
ATOM   3524 C CD   . ARG B 2 24  ? -2.800  29.606 -4.651  1.000 69.232  ? 24  ARG LLL CD   1 
ATOM   3525 N NE   . ARG B 2 24  ? -4.149  30.165 -4.528  1.000 70.641  ? 24  ARG LLL NE   1 
ATOM   3526 C CZ   . ARG B 2 24  ? -4.612  31.240 -5.166  1.000 72.509  ? 24  ARG LLL CZ   1 
ATOM   3527 N NH1  . ARG B 2 24  ? -3.865  31.882 -6.054  1.000 75.470  ? 24  ARG LLL NH1  1 
ATOM   3528 N NH2  . ARG B 2 24  ? -5.847  31.652 -4.927  1.000 72.761  ? 24  ARG LLL NH2  1 
ATOM   3529 H H    . ARG B 2 24  ? -1.706  29.176 -0.982  1.000 48.908  ? 24  ARG LLL H    1 
ATOM   3530 H HA   . ARG B 2 24  ? -0.756  27.884 -3.273  1.000 51.882  ? 24  ARG LLL HA   1 
ATOM   3531 H HB2  . ARG B 2 24  ? -0.164  30.607 -2.744  1.000 57.511  ? 24  ARG LLL HB2  1 
ATOM   3532 H HB3  . ARG B 2 24  ? 0.013   29.856 -4.122  1.000 58.720  ? 24  ARG LLL HB3  1 
ATOM   3533 H HG2  . ARG B 2 24  ? -2.412  30.782 -3.022  1.000 62.971  ? 24  ARG LLL HG2  1 
ATOM   3534 H HG3  . ARG B 2 24  ? -1.724  31.316 -4.333  1.000 64.901  ? 24  ARG LLL HG3  1 
ATOM   3535 H HD2  . ARG B 2 24  ? -2.510  29.608 -5.588  1.000 69.616  ? 24  ARG LLL HD2  1 
ATOM   3536 H HD3  . ARG B 2 24  ? -2.780  28.686 -4.310  1.000 67.498  ? 24  ARG LLL HD3  1 
ATOM   3537 H HE   . ARG B 2 24  ? -4.679  29.792 -3.948  1.000 69.606  ? 24  ARG LLL HE   1 
ATOM   3538 H HH11 . ARG B 2 24  ? -3.044  31.620 -6.215  1.000 74.859  ? 24  ARG LLL HH11 1 
ATOM   3539 H HH12 . ARG B 2 24  ? -4.191  32.583 -6.472  1.000 75.982  ? 24  ARG LLL HH12 1 
ATOM   3540 H HH21 . ARG B 2 24  ? -6.350  31.222 -4.344  1.000 71.833  ? 24  ARG LLL HH21 1 
ATOM   3541 H HH22 . ARG B 2 24  ? -6.169  32.350 -5.358  1.000 73.787  ? 24  ARG LLL HH22 1 
ATOM   3542 N N    . ALA B 2 25  ? 1.580   27.573 -2.596  1.000 46.255  ? 25  ALA LLL N    1 
ATOM   3543 C CA   . ALA B 2 25  ? 2.994   27.345 -2.206  1.000 45.177  ? 25  ALA LLL CA   1 
ATOM   3544 C C    . ALA B 2 25  ? 3.872   28.313 -2.981  1.000 46.481  ? 25  ALA LLL C    1 
ATOM   3545 O O    . ALA B 2 25  ? 3.552   28.606 -4.142  1.000 50.114  ? 25  ALA LLL O    1 
ATOM   3546 C CB   . ALA B 2 25  ? 3.407   25.934 -2.497  1.000 43.573  ? 25  ALA LLL CB   1 
ATOM   3547 H H    . ALA B 2 25  ? 1.328   27.055 -3.301  1.000 46.703  ? 25  ALA LLL H    1 
ATOM   3548 H HA   . ALA B 2 25  ? 3.095   27.522 -1.243  1.000 44.218  ? 25  ALA LLL HA   1 
ATOM   3549 H HB1  . ALA B 2 25  ? 4.282   25.764 -2.110  1.000 43.767  ? 25  ALA LLL HB1  1 
ATOM   3550 H HB2  . ALA B 2 25  ? 2.759   25.320 -2.111  1.000 43.174  ? 25  ALA LLL HB2  1 
ATOM   3551 H HB3  . ALA B 2 25  ? 3.447   25.798 -3.458  1.000 44.907  ? 25  ALA LLL HB3  1 
ATOM   3552 N N    . SER B 2 26  ? 4.975   28.736 -2.388  1.000 46.615  ? 26  SER LLL N    1 
ATOM   3553 C CA   . SER B 2 26  ? 5.980   29.609 -3.041  1.000 49.023  ? 26  SER LLL CA   1 
ATOM   3554 C C    . SER B 2 26  ? 6.777   28.816 -4.092  1.000 49.732  ? 26  SER LLL C    1 
ATOM   3555 O O    . SER B 2 26  ? 7.388   29.435 -4.934  1.000 51.012  ? 26  SER LLL O    1 
ATOM   3556 C CB   . SER B 2 26  ? 6.865   30.212 -1.992  1.000 49.271  ? 26  SER LLL CB   1 
ATOM   3557 O OG   . SER B 2 26  ? 7.546   29.190 -1.288  1.000 48.978  ? 26  SER LLL OG   1 
ATOM   3558 H H    . SER B 2 26  ? 5.201   28.519 -1.532  1.000 45.870  ? 26  SER LLL H    1 
ATOM   3559 H HA   . SER B 2 26  ? 5.496   30.343 -3.506  1.000 49.718  ? 26  SER LLL HA   1 
ATOM   3560 H HB2  . SER B 2 26  ? 7.518   30.813 -2.418  1.000 50.584  ? 26  SER LLL HB2  1 
ATOM   3561 H HB3  . SER B 2 26  ? 6.321   30.740 -1.366  1.000 48.775  ? 26  SER LLL HB3  1 
ATOM   3562 H HG   . SER B 2 26  ? 8.019   29.542 -0.709  0.000 30.000  ? 26  SER LLL HG   1 
ATOM   3563 N N    . GLN B 2 27  ? 6.755   27.486 -4.057  1.000 47.936  ? 27  GLN LLL N    1 
ATOM   3564 C CA   . GLN B 2 27  ? 7.350   26.616 -5.093  1.000 49.788  ? 27  GLN LLL CA   1 
ATOM   3565 C C    . GLN B 2 27  ? 6.617   25.276 -5.113  1.000 48.280  ? 27  GLN LLL C    1 
ATOM   3566 O O    . GLN B 2 27  ? 5.902   24.953 -4.140  1.000 47.292  ? 27  GLN LLL O    1 
ATOM   3567 C CB   . GLN B 2 27  ? 8.837   26.374 -4.813  1.000 53.094  ? 27  GLN LLL CB   1 
ATOM   3568 C CG   . GLN B 2 27  ? 9.101   25.647 -3.500  1.000 52.237  ? 27  GLN LLL CG   1 
ATOM   3569 C CD   . GLN B 2 27  ? 10.556  25.726 -3.120  1.000 54.214  ? 27  GLN LLL CD   1 
ATOM   3570 O OE1  . GLN B 2 27  ? 11.011  26.702 -2.530  1.000 55.622  ? 27  GLN LLL OE1  1 
ATOM   3571 N NE2  . GLN B 2 27  ? 11.298  24.697 -3.480  1.000 53.364  ? 27  GLN LLL NE2  1 
ATOM   3572 H H    . GLN B 2 27  ? 6.382   27.022 -3.368  1.000 47.184  ? 27  GLN LLL H    1 
ATOM   3573 H HA   . GLN B 2 27  ? 7.251   27.051 -5.972  1.000 51.296  ? 27  GLN LLL HA   1 
ATOM   3574 H HB2  . GLN B 2 27  ? 9.211   25.849 -5.551  1.000 53.227  ? 27  GLN LLL HB2  1 
ATOM   3575 H HB3  . GLN B 2 27  ? 9.296   27.240 -4.798  1.000 53.382  ? 27  GLN LLL HB3  1 
ATOM   3576 H HG2  . GLN B 2 27  ? 8.558   26.050 -2.790  1.000 51.593  ? 27  GLN LLL HG2  1 
ATOM   3577 H HG3  . GLN B 2 27  ? 8.840   24.706 -3.587  1.000 51.761  ? 27  GLN LLL HG3  1 
ATOM   3578 H HE21 . GLN B 2 27  ? 12.189  24.763 -3.223  0.000 30.000  ? 27  GLN LLL HE21 1 
ATOM   3579 H HE22 . GLN B 2 27  ? 10.991  24.047 -3.852  0.000 30.000  ? 27  GLN LLL HE22 1 
ATOM   3580 N N    . THR B 2 28  ? 6.876   24.480 -6.139  1.000 47.826  ? 28  THR LLL N    1 
ATOM   3581 C CA   . THR B 2 28  ? 6.318   23.122 -6.307  1.000 47.678  ? 28  THR LLL CA   1 
ATOM   3582 C C    . THR B 2 28  ? 6.473   22.348 -5.000  1.000 46.036  ? 28  THR LLL C    1 
ATOM   3583 O O    . THR B 2 28  ? 7.607   22.251 -4.465  1.000 44.971  ? 28  THR LLL O    1 
ATOM   3584 C CB   . THR B 2 28  ? 7.003   22.365 -7.452  1.000 50.375  ? 28  THR LLL CB   1 
ATOM   3585 O OG1  . THR B 2 28  ? 6.910   23.187 -8.618  1.000 53.291  ? 28  THR LLL OG1  1 
ATOM   3586 C CG2  . THR B 2 28  ? 6.399   20.997 -7.694  1.000 49.859  ? 28  THR LLL CG2  1 
ATOM   3587 H H    . THR B 2 28  ? 7.426   24.719 -6.825  1.000 49.414  ? 28  THR LLL H    1 
ATOM   3588 H HA   . THR B 2 28  ? 5.359   23.209 -6.514  1.000 47.837  ? 28  THR LLL HA   1 
ATOM   3589 H HB   . THR B 2 28  ? 7.955   22.253 -7.219  1.000 50.330  ? 28  THR LLL HB   1 
ATOM   3590 H HG1  . THR B 2 28  ? 7.258   22.811 -9.285  0.000 30.000  ? 28  THR LLL HG1  1 
ATOM   3591 H HG21 . THR B 2 28  ? 6.780   20.356 -7.067  1.000 48.994  ? 28  THR LLL HG21 1 
ATOM   3592 H HG22 . THR B 2 28  ? 6.594   20.711 -8.605  1.000 50.857  ? 28  THR LLL HG22 1 
ATOM   3593 H HG23 . THR B 2 28  ? 5.434   21.039 -7.568  1.000 49.473  ? 28  THR LLL HG23 1 
ATOM   3594 N N    . VAL B 2 29  ? 5.360   21.815 -4.512  1.000 43.655  ? 29  VAL LLL N    1 
ATOM   3595 C CA   . VAL B 2 29  ? 5.343   20.805 -3.426  1.000 42.111  ? 29  VAL LLL CA   1 
ATOM   3596 C C    . VAL B 2 29  ? 5.500   19.425 -4.068  1.000 41.612  ? 29  VAL LLL C    1 
ATOM   3597 O O    . VAL B 2 29  ? 4.494   18.834 -4.486  1.000 40.978  ? 29  VAL LLL O    1 
ATOM   3598 C CB   . VAL B 2 29  ? 4.053   20.930 -2.600  1.000 40.408  ? 29  VAL LLL CB   1 
ATOM   3599 C CG1  . VAL B 2 29  ? 3.957   19.794 -1.594  1.000 38.894  ? 29  VAL LLL CG1  1 
ATOM   3600 C CG2  . VAL B 2 29  ? 3.955   22.296 -1.930  1.000 39.995  ? 29  VAL LLL CG2  1 
ATOM   3601 H H    . VAL B 2 29  ? 4.531   22.038 -4.816  1.000 44.112  ? 29  VAL LLL H    1 
ATOM   3602 H HA   . VAL B 2 29  ? 6.104   20.965 -2.840  1.000 41.614  ? 29  VAL LLL HA   1 
ATOM   3603 H HB   . VAL B 2 29  ? 3.291   20.845 -3.225  1.000 40.848  ? 29  VAL LLL HB   1 
ATOM   3604 H HG11 . VAL B 2 29  ? 3.556   19.015 -2.018  1.000 39.154  ? 29  VAL LLL HG11 1 
ATOM   3605 H HG12 . VAL B 2 29  ? 3.405   20.070 -0.842  1.000 38.376  ? 29  VAL LLL HG12 1 
ATOM   3606 H HG13 . VAL B 2 29  ? 4.847   19.565 -1.274  1.000 38.892  ? 29  VAL LLL HG13 1 
ATOM   3607 H HG21 . VAL B 2 29  ? 4.746   22.449 -1.385  1.000 39.832  ? 29  VAL LLL HG21 1 
ATOM   3608 H HG22 . VAL B 2 29  ? 3.163   22.326 -1.365  1.000 39.414  ? 29  VAL LLL HG22 1 
ATOM   3609 H HG23 . VAL B 2 29  ? 3.892   22.989 -2.610  1.000 40.888  ? 29  VAL LLL HG23 1 
ATOM   3610 N N    . ARG B 2 30  ? 6.728   18.932 -4.148  1.000 43.510  ? 30  ARG LLL N    1 
ATOM   3611 C CA   . ARG B 2 30  ? 7.027   17.638 -4.809  1.000 45.793  ? 30  ARG LLL CA   1 
ATOM   3612 C C    . ARG B 2 30  ? 6.214   16.522 -4.153  1.000 44.830  ? 30  ARG LLL C    1 
ATOM   3613 O O    . ARG B 2 30  ? 5.947   16.641 -2.960  1.000 45.123  ? 30  ARG LLL O    1 
ATOM   3614 C CB   . ARG B 2 30  ? 8.536   17.391 -4.812  1.000 49.587  ? 30  ARG LLL CB   1 
ATOM   3615 C CG   . ARG B 2 30  ? 9.189   18.193 -5.929  1.000 50.196  ? 30  ARG LLL CG   1 
ATOM   3616 C CD   . ARG B 2 30  ? 10.612  17.777 -6.148  1.000 50.884  ? 30  ARG LLL CD   1 
ATOM   3617 N NE   . ARG B 2 30  ? 11.141  18.268 -7.407  1.000 49.515  ? 30  ARG LLL NE   1 
ATOM   3618 C CZ   . ARG B 2 30  ? 12.394  18.034 -7.780  1.000 51.540  ? 30  ARG LLL CZ   1 
ATOM   3619 N NH1  . ARG B 2 30  ? 13.192  17.330 -6.985  1.000 48.557  ? 30  ARG LLL NH1  1 
ATOM   3620 N NH2  . ARG B 2 30  ? 12.840  18.484 -8.945  1.000 52.757  ? 30  ARG LLL NH2  1 
ATOM   3621 H H    . ARG B 2 30  ? 7.457   19.360 -3.806  1.000 43.620  ? 30  ARG LLL H    1 
ATOM   3622 H HA   . ARG B 2 30  ? 6.730   17.712 -5.745  1.000 46.854  ? 30  ARG LLL HA   1 
ATOM   3623 H HB2  . ARG B 2 30  ? 8.914   17.659 -3.948  1.000 47.997  ? 30  ARG LLL HB2  1 
ATOM   3624 H HB3  . ARG B 2 30  ? 8.709   16.436 -4.947  1.000 48.500  ? 30  ARG LLL HB3  1 
ATOM   3625 H HG2  . ARG B 2 30  ? 8.686   18.064 -6.761  1.000 50.975  ? 30  ARG LLL HG2  1 
ATOM   3626 H HG3  . ARG B 2 30  ? 9.164   19.147 -5.702  1.000 50.495  ? 30  ARG LLL HG3  1 
ATOM   3627 H HD2  . ARG B 2 30  ? 11.162  18.119 -5.412  1.000 49.828  ? 30  ARG LLL HD2  1 
ATOM   3628 H HD3  . ARG B 2 30  ? 10.667  16.797 -6.136  1.000 49.829  ? 30  ARG LLL HD3  1 
ATOM   3629 H HE   . ARG B 2 30  ? 10.620  18.724 -7.938  1.000 50.890  ? 30  ARG LLL HE   1 
ATOM   3630 H HH11 . ARG B 2 30  ? 12.901  17.026 -6.216  1.000 48.382  ? 30  ARG LLL HH11 1 
ATOM   3631 H HH12 . ARG B 2 30  ? 14.022  17.174 -7.231  1.000 50.106  ? 30  ARG LLL HH12 1 
ATOM   3632 H HH21 . ARG B 2 30  ? 12.306  18.949 -9.470  1.000 53.375  ? 30  ARG LLL HH21 1 
ATOM   3633 H HH22 . ARG B 2 30  ? 13.672  18.328 -9.187  1.000 53.594  ? 30  ARG LLL HH22 1 
ATOM   3634 N N    . GLY B 2 31  ? 5.730   15.570 -4.961  1.000 43.033  ? 31  GLY LLL N    1 
ATOM   3635 C CA   . GLY B 2 31  ? 4.896   14.433 -4.538  1.000 42.469  ? 31  GLY LLL CA   1 
ATOM   3636 C C    . GLY B 2 31  ? 3.507   14.849 -4.089  1.000 42.257  ? 31  GLY LLL C    1 
ATOM   3637 O O    . GLY B 2 31  ? 2.813   13.996 -3.569  1.000 42.180  ? 31  GLY LLL O    1 
ATOM   3638 H H    . GLY B 2 31  ? 5.899   15.575 -5.856  1.000 44.418  ? 31  GLY LLL H    1 
ATOM   3639 H HA2  . GLY B 2 31  ? 4.817   13.798 -5.292  1.000 43.149  ? 31  GLY LLL HA2  1 
ATOM   3640 H HA3  . GLY B 2 31  ? 5.351   13.965 -3.793  1.000 41.937  ? 31  GLY LLL HA3  1 
ATOM   3641 N N    . ASN B 2 32  ? 3.136   16.136 -4.157  1.000 42.695  ? 32  ASN LLL N    1 
ATOM   3642 C CA   . ASN B 2 32  ? 1.843   16.608 -3.590  1.000 43.152  ? 32  ASN LLL CA   1 
ATOM   3643 C C    . ASN B 2 32  ? 1.686   16.225 -2.117  1.000 40.278  ? 32  ASN LLL C    1 
ATOM   3644 O O    . ASN B 2 32  ? 0.541   15.897 -1.690  1.000 39.580  ? 32  ASN LLL O    1 
ATOM   3645 C CB   . ASN B 2 32  ? 0.650   16.014 -4.329  1.000 47.289  ? 32  ASN LLL CB   1 
ATOM   3646 C CG   . ASN B 2 32  ? 0.442   16.687 -5.651  1.000 50.779  ? 32  ASN LLL CG   1 
ATOM   3647 O OD1  . ASN B 2 32  ? 1.066   17.703 -5.957  1.000 53.227  ? 32  ASN LLL OD1  1 
ATOM   3648 N ND2  . ASN B 2 32  ? -0.470  16.132 -6.416  1.000 58.616  ? 32  ASN LLL ND2  1 
ATOM   3649 H H    . ASN B 2 32  ? 3.626   16.783 -4.566  1.000 43.290  ? 32  ASN LLL H    1 
ATOM   3650 H HA   . ASN B 2 32  ? 1.802   17.590 -3.670  1.000 43.440  ? 32  ASN LLL HA   1 
ATOM   3651 H HB2  . ASN B 2 32  ? 0.797   15.058 -4.471  1.000 47.015  ? 32  ASN LLL HB2  1 
ATOM   3652 H HB3  . ASN B 2 32  ? -0.156  16.124 -3.786  1.000 46.520  ? 32  ASN LLL HB3  1 
ATOM   3653 H HD21 . ASN B 2 32  ? -0.566  16.385 -7.229  0.000 30.000  ? 32  ASN LLL HD21 1 
ATOM   3654 H HD22 . ASN B 2 32  ? -0.809  15.335 -6.143  0.000 30.000  ? 32  ASN LLL HD22 1 
ATOM   3655 N N    . TYR B 2 33  ? 2.773   16.290 -1.357  1.000 39.062  ? 33  TYR LLL N    1 
ATOM   3656 C CA   . TYR B 2 33  ? 2.774   16.028 0.101   1.000 39.149  ? 33  TYR LLL CA   1 
ATOM   3657 C C    . TYR B 2 33  ? 2.263   17.285 0.806   1.000 37.130  ? 33  TYR LLL C    1 
ATOM   3658 O O    . TYR B 2 33  ? 3.050   18.044 1.402   1.000 37.733  ? 33  TYR LLL O    1 
ATOM   3659 C CB   . TYR B 2 33  ? 4.160   15.593 0.550   1.000 39.078  ? 33  TYR LLL CB   1 
ATOM   3660 C CG   . TYR B 2 33  ? 4.527   14.209 0.092   1.000 40.664  ? 33  TYR LLL CG   1 
ATOM   3661 C CD1  . TYR B 2 33  ? 3.856   13.104 0.571   1.000 41.035  ? 33  TYR LLL CD1  1 
ATOM   3662 C CD2  . TYR B 2 33  ? 5.560   13.999 -0.817  1.000 43.017  ? 33  TYR LLL CD2  1 
ATOM   3663 C CE1  . TYR B 2 33  ? 4.218   11.821 0.193   1.000 42.552  ? 33  TYR LLL CE1  1 
ATOM   3664 C CE2  . TYR B 2 33  ? 5.934   12.724 -1.209  1.000 42.744  ? 33  TYR LLL CE2  1 
ATOM   3665 C CZ   . TYR B 2 33  ? 5.243   11.635 -0.719  1.000 44.010  ? 33  TYR LLL CZ   1 
ATOM   3666 O OH   . TYR B 2 33  ? 5.589   10.373 -1.095  1.000 46.750  ? 33  TYR LLL OH   1 
ATOM   3667 H H    . TYR B 2 33  ? 3.597   16.512 -1.676  1.000 39.772  ? 33  TYR LLL H    1 
ATOM   3668 H HA   . TYR B 2 33  ? 2.140   15.290 0.287   1.000 38.563  ? 33  TYR LLL HA   1 
ATOM   3669 H HB2  . TYR B 2 33  ? 4.814   16.232 0.201   1.000 39.678  ? 33  TYR LLL HB2  1 
ATOM   3670 H HB3  . TYR B 2 33  ? 4.198   15.627 1.529   1.000 38.782  ? 33  TYR LLL HB3  1 
ATOM   3671 H HD1  . TYR B 2 33  ? 3.160   13.220 1.190   1.000 40.829  ? 33  TYR LLL HD1  1 
ATOM   3672 H HD2  . TYR B 2 33  ? 6.039   14.739 -1.150  1.000 42.800  ? 33  TYR LLL HD2  1 
ATOM   3673 H HE1  . TYR B 2 33  ? 3.744   11.077 0.527   1.000 42.409  ? 33  TYR LLL HE1  1 
ATOM   3674 H HE2  . TYR B 2 33  ? 6.635   12.602 -1.827  1.000 43.741  ? 33  TYR LLL HE2  1 
ATOM   3675 H HH   . TYR B 2 33  ? 4.930   9.997  -1.453  0.000 30.000  ? 33  TYR LLL HH   1 
ATOM   3676 N N    . LEU B 2 34  ? 0.961   17.492 0.681   1.000 36.821  ? 34  LEU LLL N    1 
ATOM   3677 C CA   . LEU B 2 34  ? 0.218   18.655 1.190   1.000 37.295  ? 34  LEU LLL CA   1 
ATOM   3678 C C    . LEU B 2 34  ? -0.903  18.095 2.045   1.000 37.509  ? 34  LEU LLL C    1 
ATOM   3679 O O    . LEU B 2 34  ? -1.670  17.250 1.542   1.000 39.141  ? 34  LEU LLL O    1 
ATOM   3680 C CB   . LEU B 2 34  ? -0.315  19.451 0.003   1.000 37.949  ? 34  LEU LLL CB   1 
ATOM   3681 C CG   . LEU B 2 34  ? -0.802  20.882 0.269   1.000 38.604  ? 34  LEU LLL CG   1 
ATOM   3682 C CD1  . LEU B 2 34  ? -2.080  20.929 1.080   1.000 39.137  ? 34  LEU LLL CD1  1 
ATOM   3683 C CD2  . LEU B 2 34  ? 0.266   21.730 0.919   1.000 38.789  ? 34  LEU LLL CD2  1 
ATOM   3684 H H    . LEU B 2 34  ? 0.422   16.893 0.256   1.000 37.432  ? 34  LEU LLL H    1 
ATOM   3685 H HA   . LEU B 2 34  ? 0.814   19.210 1.740   1.000 36.871  ? 34  LEU LLL HA   1 
ATOM   3686 H HB2  . LEU B 2 34  ? 0.393   19.494 -0.670  1.000 38.656  ? 34  LEU LLL HB2  1 
ATOM   3687 H HB3  . LEU B 2 34  ? -1.055  18.947 -0.390  1.000 38.530  ? 34  LEU LLL HB3  1 
ATOM   3688 H HG   . LEU B 2 34  ? -1.000  21.288 -0.609  1.000 39.548  ? 34  LEU LLL HG   1 
ATOM   3689 H HD11 . LEU B 2 34  ? -2.681  20.225 0.782   1.000 39.106  ? 34  LEU LLL HD11 1 
ATOM   3690 H HD12 . LEU B 2 34  ? -2.510  21.794 0.959   1.000 39.048  ? 34  LEU LLL HD12 1 
ATOM   3691 H HD13 . LEU B 2 34  ? -1.874  20.801 2.022   1.000 38.119  ? 34  LEU LLL HD13 1 
ATOM   3692 H HD21 . LEU B 2 34  ? 0.309   21.528 1.870   1.000 37.899  ? 34  LEU LLL HD21 1 
ATOM   3693 H HD22 . LEU B 2 34  ? 0.051   22.671 0.799   1.000 38.855  ? 34  LEU LLL HD22 1 
ATOM   3694 H HD23 . LEU B 2 34  ? 1.127   21.540 0.508   1.000 38.915  ? 34  LEU LLL HD23 1 
ATOM   3695 N N    . ALA B 2 35  ? -0.948  18.507 3.296   1.000 35.318  ? 35  ALA LLL N    1 
ATOM   3696 C CA   . ALA B 2 35  ? -1.971  18.075 4.272   1.000 36.481  ? 35  ALA LLL CA   1 
ATOM   3697 C C    . ALA B 2 35  ? -2.848  19.262 4.698   1.000 36.088  ? 35  ALA LLL C    1 
ATOM   3698 O O    . ALA B 2 35  ? -2.417  20.413 4.610   1.000 37.035  ? 35  ALA LLL O    1 
ATOM   3699 C CB   . ALA B 2 35  ? -1.307  17.419 5.449   1.000 36.777  ? 35  ALA LLL CB   1 
ATOM   3700 H H    . ALA B 2 35  ? -0.349  19.093 3.655   1.000 35.738  ? 35  ALA LLL H    1 
ATOM   3701 H HA   . ALA B 2 35  ? -2.550  17.412 3.833   1.000 36.718  ? 35  ALA LLL HA   1 
ATOM   3702 H HB1  . ALA B 2 35  ? -1.983  17.129 6.084   1.000 36.409  ? 35  ALA LLL HB1  1 
ATOM   3703 H HB2  . ALA B 2 35  ? -0.797  16.648 5.146   1.000 36.708  ? 35  ALA LLL HB2  1 
ATOM   3704 H HB3  . ALA B 2 35  ? -0.709  18.052 5.880   1.000 36.197  ? 35  ALA LLL HB3  1 
ATOM   3705 N N    . TRP B 2 36  ? -4.085  18.968 5.073   1.000 36.884  ? 36  TRP LLL N    1 
ATOM   3706 C CA   . TRP B 2 36  ? -5.034  19.929 5.674   1.000 35.958  ? 36  TRP LLL CA   1 
ATOM   3707 C C    . TRP B 2 36  ? -5.384  19.468 7.086   1.000 35.174  ? 36  TRP LLL C    1 
ATOM   3708 O O    . TRP B 2 36  ? -5.605  18.264 7.294   1.000 32.762  ? 36  TRP LLL O    1 
ATOM   3709 C CB   . TRP B 2 36  ? -6.293  20.079 4.816   1.000 36.536  ? 36  TRP LLL CB   1 
ATOM   3710 C CG   . TRP B 2 36  ? -6.049  20.726 3.484   1.000 37.714  ? 36  TRP LLL CG   1 
ATOM   3711 C CD1  . TRP B 2 36  ? -5.812  20.089 2.302   1.000 37.480  ? 36  TRP LLL CD1  1 
ATOM   3712 C CD2  . TRP B 2 36  ? -6.089  22.134 3.185   1.000 37.305  ? 36  TRP LLL CD2  1 
ATOM   3713 N NE1  . TRP B 2 36  ? -5.703  20.999 1.295   1.000 37.279  ? 36  TRP LLL NE1  1 
ATOM   3714 C CE2  . TRP B 2 36  ? -5.844  22.259 1.802   1.000 38.284  ? 36  TRP LLL CE2  1 
ATOM   3715 C CE3  . TRP B 2 36  ? -6.319  23.299 3.937   1.000 37.177  ? 36  TRP LLL CE3  1 
ATOM   3716 C CZ2  . TRP B 2 36  ? -5.807  23.503 1.163   1.000 39.481  ? 36  TRP LLL CZ2  1 
ATOM   3717 C CZ3  . TRP B 2 36  ? -6.278  24.528 3.310   1.000 38.438  ? 36  TRP LLL CZ3  1 
ATOM   3718 C CH2  . TRP B 2 36  ? -6.064  24.624 1.926   1.000 39.369  ? 36  TRP LLL CH2  1 
ATOM   3719 H H    . TRP B 2 36  ? -4.438  18.133 4.983   1.000 36.814  ? 36  TRP LLL H    1 
ATOM   3720 H HA   . TRP B 2 36  ? -4.592  20.807 5.722   1.000 35.753  ? 36  TRP LLL HA   1 
ATOM   3721 H HB2  . TRP B 2 36  ? -6.678  19.192 4.676   1.000 37.088  ? 36  TRP LLL HB2  1 
ATOM   3722 H HB3  . TRP B 2 36  ? -6.944  20.613 5.316   1.000 36.629  ? 36  TRP LLL HB3  1 
ATOM   3723 H HD1  . TRP B 2 36  ? -5.728  19.156 2.191   1.000 37.721  ? 36  TRP LLL HD1  1 
ATOM   3724 H HE1  . TRP B 2 36  ? -5.517  20.809 0.466   1.000 38.542  ? 36  TRP LLL HE1  1 
ATOM   3725 H HE3  . TRP B 2 36  ? -6.487  23.241 4.864   1.000 36.713  ? 36  TRP LLL HE3  1 
ATOM   3726 H HZ2  . TRP B 2 36  ? -5.654  23.566 0.236   1.000 40.098  ? 36  TRP LLL HZ2  1 
ATOM   3727 H HZ3  . TRP B 2 36  ? -6.428  25.313 3.813   1.000 37.902  ? 36  TRP LLL HZ3  1 
ATOM   3728 H HH2  . TRP B 2 36  ? -6.017  25.474 1.525   1.000 39.666  ? 36  TRP LLL HH2  1 
ATOM   3729 N N    . PHE B 2 37  ? -5.375  20.418 8.003   1.000 33.397  ? 37  PHE LLL N    1 
ATOM   3730 C CA   . PHE B 2 37  ? -5.736  20.225 9.414   1.000 34.719  ? 37  PHE LLL CA   1 
ATOM   3731 C C    . PHE B 2 37  ? -6.881  21.182 9.759   1.000 34.436  ? 37  PHE LLL C    1 
ATOM   3732 O O    . PHE B 2 37  ? -6.912  22.307 9.200   1.000 34.204  ? 37  PHE LLL O    1 
ATOM   3733 C CB   . PHE B 2 37  ? -4.526  20.542 10.283  1.000 34.507  ? 37  PHE LLL CB   1 
ATOM   3734 C CG   . PHE B 2 37  ? -3.382  19.578 10.157  1.000 33.648  ? 37  PHE LLL CG   1 
ATOM   3735 C CD1  . PHE B 2 37  ? -3.343  18.460 10.960  1.000 34.735  ? 37  PHE LLL CD1  1 
ATOM   3736 C CD2  . PHE B 2 37  ? -2.373  19.787 9.242   1.000 33.915  ? 37  PHE LLL CD2  1 
ATOM   3737 C CE1  . PHE B 2 37  ? -2.286  17.577 10.880  1.000 35.284  ? 37  PHE LLL CE1  1 
ATOM   3738 C CE2  . PHE B 2 37  ? -1.320  18.895 9.146   1.000 35.287  ? 37  PHE LLL CE2  1 
ATOM   3739 C CZ   . PHE B 2 37  ? -1.267  17.801 9.972   1.000 35.315  ? 37  PHE LLL CZ   1 
ATOM   3740 H H    . PHE B 2 37  ? -5.138  21.280 7.824   1.000 33.964  ? 37  PHE LLL H    1 
ATOM   3741 H HA   . PHE B 2 37  ? -6.023  19.292 9.562   1.000 34.649  ? 37  PHE LLL HA   1 
ATOM   3742 H HB2  . PHE B 2 37  ? -4.208  21.439 10.050  1.000 34.067  ? 37  PHE LLL HB2  1 
ATOM   3743 H HB3  . PHE B 2 37  ? -4.817  20.564 11.219  1.000 34.069  ? 37  PHE LLL HB3  1 
ATOM   3744 H HD1  . PHE B 2 37  ? -4.025  18.319 11.596  1.000 34.703  ? 37  PHE LLL HD1  1 
ATOM   3745 H HD2  . PHE B 2 37  ? -2.396  20.549 8.685   1.000 34.277  ? 37  PHE LLL HD2  1 
ATOM   3746 H HE1  . PHE B 2 37  ? -2.263  16.819 11.440  1.000 35.316  ? 37  PHE LLL HE1  1 
ATOM   3747 H HE2  . PHE B 2 37  ? -0.629  19.050 8.523   1.000 35.060  ? 37  PHE LLL HE2  1 
ATOM   3748 H HZ   . PHE B 2 37  ? -0.556  17.185 9.896   1.000 35.367  ? 37  PHE LLL HZ   1 
ATOM   3749 N N    . GLN B 2 38  ? -7.734  20.754 10.677  1.000 33.858  ? 38  GLN LLL N    1 
ATOM   3750 C CA   . GLN B 2 38  ? -8.774  21.567 11.335  1.000 34.368  ? 38  GLN LLL CA   1 
ATOM   3751 C C    . GLN B 2 38  ? -8.363  21.798 12.780  1.000 33.277  ? 38  GLN LLL C    1 
ATOM   3752 O O    . GLN B 2 38  ? -7.934  20.832 13.417  1.000 36.876  ? 38  GLN LLL O    1 
ATOM   3753 C CB   . GLN B 2 38  ? -10.089 20.793 11.343  1.000 34.904  ? 38  GLN LLL CB   1 
ATOM   3754 C CG   . GLN B 2 38  ? -11.257 21.576 11.874  1.000 35.697  ? 38  GLN LLL CG   1 
ATOM   3755 C CD   . GLN B 2 38  ? -12.435 20.664 12.062  1.000 39.448  ? 38  GLN LLL CD   1 
ATOM   3756 O OE1  . GLN B 2 38  ? -12.384 19.739 12.877  1.000 41.551  ? 38  GLN LLL OE1  1 
ATOM   3757 N NE2  . GLN B 2 38  ? -13.488 20.895 11.274  1.000 40.757  ? 38  GLN LLL NE2  1 
ATOM   3758 H H    . GLN B 2 38  ? -7.726  19.892 10.971  1.000 34.298  ? 38  GLN LLL H    1 
ATOM   3759 H HA   . GLN B 2 38  ? -8.882  22.425 10.866  1.000 34.099  ? 38  GLN LLL HA   1 
ATOM   3760 H HB2  . GLN B 2 38  ? -10.286 20.508 10.428  1.000 35.544  ? 38  GLN LLL HB2  1 
ATOM   3761 H HB3  . GLN B 2 38  ? -9.969  19.986 11.888  1.000 35.207  ? 38  GLN LLL HB3  1 
ATOM   3762 H HG2  . GLN B 2 38  ? -11.021 21.987 12.732  1.000 35.757  ? 38  GLN LLL HG2  1 
ATOM   3763 H HG3  . GLN B 2 38  ? -11.490 22.290 11.243  1.000 36.289  ? 38  GLN LLL HG3  1 
ATOM   3764 H HE21 . GLN B 2 38  ? -14.210 20.415 11.334  0.000 30.000  ? 38  GLN LLL HE21 1 
ATOM   3765 H HE22 . GLN B 2 38  ? -13.455 21.574 10.680  0.000 30.000  ? 38  GLN LLL HE22 1 
ATOM   3766 N N    . GLN B 2 39  ? -8.554  22.999 13.302  1.000 35.097  ? 39  GLN LLL N    1 
ATOM   3767 C CA   . GLN B 2 39  ? -8.331  23.278 14.752  1.000 36.097  ? 39  GLN LLL CA   1 
ATOM   3768 C C    . GLN B 2 39  ? -9.479  24.125 15.339  1.000 37.573  ? 39  GLN LLL C    1 
ATOM   3769 O O    . GLN B 2 39  ? -9.869  25.140 14.746  1.000 35.675  ? 39  GLN LLL O    1 
ATOM   3770 C CB   . GLN B 2 39  ? -6.985  23.940 15.000  1.000 35.894  ? 39  GLN LLL CB   1 
ATOM   3771 C CG   . GLN B 2 39  ? -6.541  23.815 16.450  1.000 34.639  ? 39  GLN LLL CG   1 
ATOM   3772 C CD   . GLN B 2 39  ? -5.174  24.429 16.637  1.000 34.085  ? 39  GLN LLL CD   1 
ATOM   3773 O OE1  . GLN B 2 39  ? -4.853  25.440 16.022  1.000 33.830  ? 39  GLN LLL OE1  1 
ATOM   3774 N NE2  . GLN B 2 39  ? -4.361  23.798 17.470  1.000 31.655  ? 39  GLN LLL NE2  1 
ATOM   3775 H H    . GLN B 2 39  ? -8.829  23.718 12.815  1.000 34.920  ? 39  GLN LLL H    1 
ATOM   3776 H HA   . GLN B 2 39  ? -8.328  22.414 15.220  1.000 36.356  ? 39  GLN LLL HA   1 
ATOM   3777 H HB2  . GLN B 2 39  ? -6.316  23.525 14.417  1.000 35.509  ? 39  GLN LLL HB2  1 
ATOM   3778 H HB3  . GLN B 2 39  ? -7.051  24.888 14.760  1.000 35.418  ? 39  GLN LLL HB3  1 
ATOM   3779 H HG2  . GLN B 2 39  ? -7.185  24.269 17.033  1.000 34.906  ? 39  GLN LLL HG2  1 
ATOM   3780 H HG3  . GLN B 2 39  ? -6.512  22.868 16.703  1.000 35.064  ? 39  GLN LLL HG3  1 
ATOM   3781 H HE21 . GLN B 2 39  ? -3.546  24.117 17.612  0.000 30.000  ? 39  GLN LLL HE21 1 
ATOM   3782 H HE22 . GLN B 2 39  ? -4.623  23.061 17.871  0.000 30.000  ? 39  GLN LLL HE22 1 
ATOM   3783 N N    . LYS B 2 40  ? -9.987  23.675 16.470  1.000 39.033  ? 40  LYS LLL N    1 
ATOM   3784 C CA   . LYS B 2 40  ? -11.154 24.229 17.179  1.000 45.050  ? 40  LYS LLL CA   1 
ATOM   3785 C C    . LYS B 2 40  ? -10.729 24.434 18.609  1.000 49.532  ? 40  LYS LLL C    1 
ATOM   3786 O O    . LYS B 2 40  ? -9.977  23.569 19.104  1.000 50.792  ? 40  LYS LLL O    1 
ATOM   3787 C CB   . LYS B 2 40  ? -12.282 23.208 17.244  1.000 47.783  ? 40  LYS LLL CB   1 
ATOM   3788 C CG   . LYS B 2 40  ? -13.190 23.223 16.038  1.000 54.496  ? 40  LYS LLL CG   1 
ATOM   3789 C CD   . LYS B 2 40  ? -14.474 22.436 16.222  1.000 57.114  ? 40  LYS LLL CD   1 
ATOM   3790 C CE   . LYS B 2 40  ? -14.372 21.060 15.603  1.000 59.903  ? 40  LYS LLL CE   1 
ATOM   3791 N NZ   . LYS B 2 40  ? -15.643 20.318 15.727  1.000 60.903  ? 40  LYS LLL NZ   1 
ATOM   3792 H H    . LYS B 2 40  ? -9.628  22.956 16.901  1.000 40.095  ? 40  LYS LLL H    1 
ATOM   3793 H HA   . LYS B 2 40  ? -11.452 25.074 16.770  1.000 44.951  ? 40  LYS LLL HA   1 
ATOM   3794 H HB2  . LYS B 2 40  ? -11.891 22.314 17.333  1.000 48.810  ? 40  LYS LLL HB2  1 
ATOM   3795 H HB3  . LYS B 2 40  ? -12.819 23.383 18.044  1.000 48.988  ? 40  LYS LLL HB3  1 
ATOM   3796 H HG2  . LYS B 2 40  ? -13.418 24.154 15.830  1.000 53.076  ? 40  LYS LLL HG2  1 
ATOM   3797 H HG3  . LYS B 2 40  ? -12.699 22.859 15.271  1.000 53.184  ? 40  LYS LLL HG3  1 
ATOM   3798 H HD2  . LYS B 2 40  ? -14.669 22.345 17.179  1.000 57.548  ? 40  LYS LLL HD2  1 
ATOM   3799 H HD3  . LYS B 2 40  ? -15.216 22.923 15.803  1.000 57.650  ? 40  LYS LLL HD3  1 
ATOM   3800 H HE2  . LYS B 2 40  ? -14.141 21.141 14.659  1.000 59.139  ? 40  LYS LLL HE2  1 
ATOM   3801 H HE3  . LYS B 2 40  ? -13.664 20.554 16.046  1.000 59.018  ? 40  LYS LLL HE3  1 
ATOM   3802 H HZ1  . LYS B 2 40  ? -15.735 20.003 16.572  1.000 61.246  ? 40  LYS LLL HZ1  1 
ATOM   3803 H HZ2  . LYS B 2 40  ? -15.649 19.620 15.147  1.000 61.409  ? 40  LYS LLL HZ2  1 
ATOM   3804 H HZ3  . LYS B 2 40  ? -16.339 20.868 15.538  1.000 61.280  ? 40  LYS LLL HZ3  1 
ATOM   3805 N N    . ARG B 2 41  ? -11.246 25.473 19.247  1.000 55.294  ? 41  ARG LLL N    1 
ATOM   3806 C CA   . ARG B 2 41  ? -11.221 25.602 20.727  1.000 60.843  ? 41  ARG LLL CA   1 
ATOM   3807 C C    . ARG B 2 41  ? -9.767  25.622 21.178  1.000 54.561  ? 41  ARG LLL C    1 
ATOM   3808 O O    . ARG B 2 41  ? -8.970  26.376 20.614  1.000 65.317  ? 41  ARG LLL O    1 
ATOM   3809 C CB   . ARG B 2 41  ? -12.014 24.453 21.359  1.000 65.506  ? 41  ARG LLL CB   1 
ATOM   3810 C CG   . ARG B 2 41  ? -13.497 24.762 21.467  1.000 69.830  ? 41  ARG LLL CG   1 
ATOM   3811 C CD   . ARG B 2 41  ? -14.358 23.522 21.444  1.000 72.451  ? 41  ARG LLL CD   1 
ATOM   3812 N NE   . ARG B 2 41  ? -15.556 23.878 20.713  1.000 72.417  ? 41  ARG LLL NE   1 
ATOM   3813 C CZ   . ARG B 2 41  ? -16.205 23.087 19.875  1.000 76.212  ? 41  ARG LLL CZ   1 
ATOM   3814 N NH1  . ARG B 2 41  ? -15.803 21.844 19.664  1.000 76.802  ? 41  ARG LLL NH1  1 
ATOM   3815 N NH2  . ARG B 2 41  ? -17.274 23.545 19.253  1.000 77.495  ? 41  ARG LLL NH2  1 
ATOM   3816 H H    . ARG B 2 41  ? -11.647 26.170 18.817  1.000 54.919  ? 41  ARG LLL H    1 
ATOM   3817 H HA   . ARG B 2 41  ? -11.643 26.458 20.974  1.000 59.265  ? 41  ARG LLL HA   1 
ATOM   3818 H HB2  . ARG B 2 41  ? -11.889 23.643 20.823  1.000 65.492  ? 41  ARG LLL HB2  1 
ATOM   3819 H HB3  . ARG B 2 41  ? -11.669 24.279 22.257  1.000 65.433  ? 41  ARG LLL HB3  1 
ATOM   3820 H HG2  . ARG B 2 41  ? -13.664 25.248 22.302  1.000 69.391  ? 41  ARG LLL HG2  1 
ATOM   3821 H HG3  . ARG B 2 41  ? -13.756 25.345 20.722  1.000 69.064  ? 41  ARG LLL HG3  1 
ATOM   3822 H HD2  . ARG B 2 41  ? -13.885 22.788 20.998  1.000 71.924  ? 41  ARG LLL HD2  1 
ATOM   3823 H HD3  . ARG B 2 41  ? -14.585 23.248 22.358  1.000 72.484  ? 41  ARG LLL HD3  1 
ATOM   3824 H HE   . ARG B 2 41  ? -15.860 24.690 20.811  1.000 73.232  ? 41  ARG LLL HE   1 
ATOM   3825 H HH11 . ARG B 2 41  ? -15.092 21.531 20.068  1.000 76.328  ? 41  ARG LLL HH11 1 
ATOM   3826 H HH12 . ARG B 2 41  ? -16.250 21.331 19.106  1.000 77.173  ? 41  ARG LLL HH12 1 
ATOM   3827 H HH21 . ARG B 2 41  ? -17.547 24.371 19.396  1.000 76.960  ? 41  ARG LLL HH21 1 
ATOM   3828 H HH22 . ARG B 2 41  ? -17.719 23.024 18.702  1.000 77.724  ? 41  ARG LLL HH22 1 
ATOM   3829 N N    . GLY B 2 42  ? -9.405  24.783 22.112  1.000 48.787  ? 42  GLY LLL N    1 
ATOM   3830 C CA   . GLY B 2 42  ? -7.999  24.745 22.542  1.000 49.408  ? 42  GLY LLL CA   1 
ATOM   3831 C C    . GLY B 2 42  ? -7.423  23.372 22.270  1.000 47.270  ? 42  GLY LLL C    1 
ATOM   3832 O O    . GLY B 2 42  ? -6.607  22.931 23.069  1.000 51.368  ? 42  GLY LLL O    1 
ATOM   3833 H H    . GLY B 2 42  ? -9.961  24.202 22.529  1.000 50.978  ? 42  GLY LLL H    1 
ATOM   3834 H HA2  . GLY B 2 42  ? -7.478  25.428 22.053  1.000 48.231  ? 42  GLY LLL HA2  1 
ATOM   3835 H HA3  . GLY B 2 42  ? -7.948  24.941 23.511  1.000 48.928  ? 42  GLY LLL HA3  1 
ATOM   3836 N N    . GLN B 2 43  ? -7.839  22.730 21.175  1.000 40.849  ? 43  GLN LLL N    1 
ATOM   3837 C CA   . GLN B 2 43  ? -7.520  21.321 20.879  1.000 36.969  ? 43  GLN LLL CA   1 
ATOM   3838 C C    . GLN B 2 43  ? -6.329  21.300 19.943  1.000 33.308  ? 43  GLN LLL C    1 
ATOM   3839 O O    . GLN B 2 43  ? -6.083  22.266 19.244  1.000 32.084  ? 43  GLN LLL O    1 
ATOM   3840 C CB   . GLN B 2 43  ? -8.730  20.627 20.262  1.000 38.550  ? 43  GLN LLL CB   1 
ATOM   3841 C CG   . GLN B 2 43  ? -9.956  20.565 21.175  1.000 41.955  ? 43  GLN LLL CG   1 
ATOM   3842 C CD   . GLN B 2 43  ? -11.179 20.043 20.454  1.000 45.240  ? 43  GLN LLL CD   1 
ATOM   3843 O OE1  . GLN B 2 43  ? -11.141 19.699 19.263  1.000 48.877  ? 43  GLN LLL OE1  1 
ATOM   3844 N NE2  . GLN B 2 43  ? -12.293 20.011 21.156  1.000 49.104  ? 43  GLN LLL NE2  1 
ATOM   3845 H H    . GLN B 2 43  ? -8.340  23.134 20.531  1.000 40.992  ? 43  GLN LLL H    1 
ATOM   3846 H HA   . GLN B 2 43  ? -7.282  20.868 21.719  1.000 37.766  ? 43  GLN LLL HA   1 
ATOM   3847 H HB2  . GLN B 2 43  ? -8.970  21.101 19.439  1.000 38.588  ? 43  GLN LLL HB2  1 
ATOM   3848 H HB3  . GLN B 2 43  ? -8.472  19.715 20.014  1.000 39.162  ? 43  GLN LLL HB3  1 
ATOM   3849 H HG2  . GLN B 2 43  ? -9.760  19.982 21.939  1.000 42.414  ? 43  GLN LLL HG2  1 
ATOM   3850 H HG3  . GLN B 2 43  ? -10.147 21.463 21.521  1.000 41.656  ? 43  GLN LLL HG3  1 
ATOM   3851 H HE21 . GLN B 2 43  ? -13.039 19.723 20.785  0.000 30.000  ? 43  GLN LLL HE21 1 
ATOM   3852 H HE22 . GLN B 2 43  ? -12.301 20.313 21.990  0.000 30.000  ? 43  GLN LLL HE22 1 
ATOM   3853 N N    . PRO B 2 44  ? -5.571  20.189 19.918  1.000 34.302  ? 44  PRO LLL N    1 
ATOM   3854 C CA   . PRO B 2 44  ? -4.580  19.952 18.883  1.000 34.610  ? 44  PRO LLL CA   1 
ATOM   3855 C C    . PRO B 2 44  ? -5.207  19.976 17.489  1.000 35.776  ? 44  PRO LLL C    1 
ATOM   3856 O O    . PRO B 2 44  ? -6.418  19.728 17.316  1.000 34.643  ? 44  PRO LLL O    1 
ATOM   3857 C CB   . PRO B 2 44  ? -4.059  18.538 19.162  1.000 35.599  ? 44  PRO LLL CB   1 
ATOM   3858 C CG   . PRO B 2 44  ? -4.613  18.115 20.481  1.000 36.915  ? 44  PRO LLL CG   1 
ATOM   3859 C CD   . PRO B 2 44  ? -5.706  19.070 20.873  1.000 35.630  ? 44  PRO LLL CD   1 
ATOM   3860 H HA   . PRO B 2 44  ? -3.846  20.611 18.959  1.000 34.530  ? 44  PRO LLL HA   1 
ATOM   3861 H HB2  . PRO B 2 44  ? -4.348  17.919 18.458  1.000 35.756  ? 44  PRO LLL HB2  1 
ATOM   3862 H HB3  . PRO B 2 44  ? -3.078  18.535 19.190  1.000 35.555  ? 44  PRO LLL HB3  1 
ATOM   3863 H HG2  . PRO B 2 44  ? -4.971  17.205 20.419  1.000 37.014  ? 44  PRO LLL HG2  1 
ATOM   3864 H HG3  . PRO B 2 44  ? -3.907  18.118 21.159  1.000 36.686  ? 44  PRO LLL HG3  1 
ATOM   3865 H HD2  . PRO B 2 44  ? -6.582  18.649 20.794  1.000 36.186  ? 44  PRO LLL HD2  1 
ATOM   3866 H HD3  . PRO B 2 44  ? -5.586  19.378 21.790  1.000 36.017  ? 44  PRO LLL HD3  1 
ATOM   3867 N N    . PRO B 2 45  ? -4.400  20.240 16.444  1.000 36.708  ? 45  PRO LLL N    1 
ATOM   3868 C CA   . PRO B 2 45  ? -4.861  20.091 15.063  1.000 35.812  ? 45  PRO LLL CA   1 
ATOM   3869 C C    . PRO B 2 45  ? -5.341  18.661 14.800  1.000 35.944  ? 45  PRO LLL C    1 
ATOM   3870 O O    . PRO B 2 45  ? -4.827  17.760 15.407  1.000 38.566  ? 45  PRO LLL O    1 
ATOM   3871 C CB   . PRO B 2 45  ? -3.614  20.383 14.214  1.000 36.430  ? 45  PRO LLL CB   1 
ATOM   3872 C CG   . PRO B 2 45  ? -2.731  21.215 15.158  1.000 35.941  ? 45  PRO LLL CG   1 
ATOM   3873 C CD   . PRO B 2 45  ? -2.968  20.588 16.510  1.000 37.153  ? 45  PRO LLL CD   1 
ATOM   3874 H HA   . PRO B 2 45  ? -5.574  20.749 14.867  1.000 36.003  ? 45  PRO LLL HA   1 
ATOM   3875 H HB2  . PRO B 2 45  ? -3.162  19.554 13.949  1.000 36.324  ? 45  PRO LLL HB2  1 
ATOM   3876 H HB3  . PRO B 2 45  ? -3.846  20.893 13.409  1.000 36.088  ? 45  PRO LLL HB3  1 
ATOM   3877 H HG2  . PRO B 2 45  ? -1.788  21.153 14.903  1.000 36.212  ? 45  PRO LLL HG2  1 
ATOM   3878 H HG3  . PRO B 2 45  ? -3.002  22.156 15.156  1.000 36.035  ? 45  PRO LLL HG3  1 
ATOM   3879 H HD2  . PRO B 2 45  ? -2.416  19.794 16.636  1.000 36.998  ? 45  PRO LLL HD2  1 
ATOM   3880 H HD3  . PRO B 2 45  ? -2.788  21.223 17.228  1.000 36.686  ? 45  PRO LLL HD3  1 
ATOM   3881 N N    . ARG B 2 46  ? -6.342  18.525 13.939  1.000 35.564  ? 46  ARG LLL N    1 
ATOM   3882 C CA   . ARG B 2 46  ? -6.954  17.259 13.481  1.000 35.719  ? 46  ARG LLL CA   1 
ATOM   3883 C C    . ARG B 2 46  ? -6.663  17.129 11.985  1.000 34.033  ? 46  ARG LLL C    1 
ATOM   3884 O O    . ARG B 2 46  ? -7.004  18.091 11.228  1.000 32.794  ? 46  ARG LLL O    1 
ATOM   3885 C CB   . ARG B 2 46  ? -8.465  17.310 13.744  1.000 38.135  ? 46  ARG LLL CB   1 
ATOM   3886 C CG   . ARG B 2 46  ? -9.241  16.076 13.292  1.000 42.288  ? 46  ARG LLL CG   1 
ATOM   3887 C CD   . ARG B 2 46  ? -10.741 16.347 13.456  1.000 47.487  ? 46  ARG LLL CD   1 
ATOM   3888 N NE   . ARG B 2 46  ? -11.625 15.344 12.875  1.000 51.995  ? 46  ARG LLL NE   1 
ATOM   3889 C CZ   . ARG B 2 46  ? -12.885 15.560 12.451  1.000 55.465  ? 46  ARG LLL CZ   1 
ATOM   3890 N NH1  . ARG B 2 46  ? -13.423 16.771 12.503  1.000 53.974  ? 46  ARG LLL NH1  1 
ATOM   3891 N NH2  . ARG B 2 46  ? -13.599 14.556 11.951  1.000 56.739  ? 46  ARG LLL NH2  1 
ATOM   3892 H H    . ARG B 2 46  ? -6.735  19.252 13.555  1.000 35.457  ? 46  ARG LLL H    1 
ATOM   3893 H HA   . ARG B 2 46  ? -6.554  16.502 13.968  1.000 36.023  ? 46  ARG LLL HA   1 
ATOM   3894 H HB2  . ARG B 2 46  ? -8.607  17.434 14.705  1.000 38.423  ? 46  ARG LLL HB2  1 
ATOM   3895 H HB3  . ARG B 2 46  ? -8.831  18.095 13.285  1.000 38.259  ? 46  ARG LLL HB3  1 
ATOM   3896 H HG2  . ARG B 2 46  ? -9.043  15.878 12.352  1.000 42.523  ? 46  ARG LLL HG2  1 
ATOM   3897 H HG3  . ARG B 2 46  ? -8.984  15.301 13.836  1.000 42.787  ? 46  ARG LLL HG3  1 
ATOM   3898 H HD2  . ARG B 2 46  ? -10.941 16.422 14.413  1.000 47.188  ? 46  ARG LLL HD2  1 
ATOM   3899 H HD3  . ARG B 2 46  ? -10.941 17.216 13.048  1.000 46.796  ? 46  ARG LLL HD3  1 
ATOM   3900 H HE   . ARG B 2 46  ? -11.322 14.528 12.822  1.000 52.208  ? 46  ARG LLL HE   1 
ATOM   3901 H HH11 . ARG B 2 46  ? -12.969 17.445 12.833  1.000 53.461  ? 46  ARG LLL HH11 1 
ATOM   3902 H HH12 . ARG B 2 46  ? -14.245 16.895 12.218  1.000 54.874  ? 46  ARG LLL HH12 1 
ATOM   3903 H HH21 . ARG B 2 46  ? -13.250 13.748 11.905  1.000 56.793  ? 46  ARG LLL HH21 1 
ATOM   3904 H HH22 . ARG B 2 46  ? -14.420 14.699 11.664  1.000 57.199  ? 46  ARG LLL HH22 1 
ATOM   3905 N N    . LEU B 2 47  ? -6.043  16.019 11.577  1.000 33.759  ? 47  LEU LLL N    1 
ATOM   3906 C CA   . LEU B 2 47  ? -5.699  15.769 10.154  1.000 34.450  ? 47  LEU LLL CA   1 
ATOM   3907 C C    . LEU B 2 47  ? -6.993  15.480 9.385   1.000 35.845  ? 47  LEU LLL C    1 
ATOM   3908 O O    . LEU B 2 47  ? -7.768  14.609 9.840   1.000 36.189  ? 47  LEU LLL O    1 
ATOM   3909 C CB   . LEU B 2 47  ? -4.756  14.574 10.080  1.000 33.954  ? 47  LEU LLL CB   1 
ATOM   3910 C CG   . LEU B 2 47  ? -4.344  14.173 8.674   1.000 33.378  ? 47  LEU LLL CG   1 
ATOM   3911 C CD1  . LEU B 2 47  ? -3.567  15.296 7.996   1.000 33.674  ? 47  LEU LLL CD1  1 
ATOM   3912 C CD2  . LEU B 2 47  ? -3.537  12.872 8.707   1.000 34.146  ? 47  LEU LLL CD2  1 
ATOM   3913 H H    . LEU B 2 47  ? -5.798  15.351 12.146  1.000 34.198  ? 47  LEU LLL H    1 
ATOM   3914 H HA   . LEU B 2 47  ? -5.264  16.571 9.782   1.000 33.935  ? 47  LEU LLL HA   1 
ATOM   3915 H HB2  . LEU B 2 47  ? -3.951  14.782 10.594  1.000 33.514  ? 47  LEU LLL HB2  1 
ATOM   3916 H HB3  . LEU B 2 47  ? -5.191  13.809 10.507  1.000 34.377  ? 47  LEU LLL HB3  1 
ATOM   3917 H HG   . LEU B 2 47  ? -5.164  14.009 8.148   1.000 34.277  ? 47  LEU LLL HG   1 
ATOM   3918 H HD11 . LEU B 2 47  ? -4.183  15.997 7.721   1.000 33.441  ? 47  LEU LLL HD11 1 
ATOM   3919 H HD12 . LEU B 2 47  ? -3.105  14.946 7.214   1.000 33.625  ? 47  LEU LLL HD12 1 
ATOM   3920 H HD13 . LEU B 2 47  ? -2.916  15.663 8.619   1.000 32.994  ? 47  LEU LLL HD13 1 
ATOM   3921 H HD21 . LEU B 2 47  ? -2.737  12.999 9.245   1.000 33.639  ? 47  LEU LLL HD21 1 
ATOM   3922 H HD22 . LEU B 2 47  ? -3.282  12.624 7.801   1.000 34.199  ? 47  LEU LLL HD22 1 
ATOM   3923 H HD23 . LEU B 2 47  ? -4.079  12.163 9.096   1.000 34.471  ? 47  LEU LLL HD23 1 
ATOM   3924 N N    . LEU B 2 48  ? -7.197  16.168 8.269   1.000 36.558  ? 48  LEU LLL N    1 
ATOM   3925 C CA   . LEU B 2 48  ? -8.362  15.975 7.372   1.000 38.992  ? 48  LEU LLL CA   1 
ATOM   3926 C C    . LEU B 2 48  ? -7.906  15.283 6.099   1.000 40.068  ? 48  LEU LLL C    1 
ATOM   3927 O O    . LEU B 2 48  ? -8.609  14.385 5.659   1.000 42.589  ? 48  LEU LLL O    1 
ATOM   3928 C CB   . LEU B 2 48  ? -8.950  17.328 6.981   1.000 40.200  ? 48  LEU LLL CB   1 
ATOM   3929 C CG   . LEU B 2 48  ? -9.419  18.215 8.122   1.000 40.740  ? 48  LEU LLL CG   1 
ATOM   3930 C CD1  . LEU B 2 48  ? -9.879  19.547 7.558   1.000 42.673  ? 48  LEU LLL CD1  1 
ATOM   3931 C CD2  . LEU B 2 48  ? -10.539 17.526 8.893   1.000 42.402  ? 48  LEU LLL CD2  1 
ATOM   3932 H H    . LEU B 2 48  ? -6.629  16.823 7.991   1.000 36.344  ? 48  LEU LLL H    1 
ATOM   3933 H HA   . LEU B 2 48  ? -9.039  15.426 7.825   1.000 39.518  ? 48  LEU LLL HA   1 
ATOM   3934 H HB2  . LEU B 2 48  ? -8.275  17.817 6.470   1.000 39.835  ? 48  LEU LLL HB2  1 
ATOM   3935 H HB3  . LEU B 2 48  ? -9.709  17.169 6.384   1.000 40.895  ? 48  LEU LLL HB3  1 
ATOM   3936 H HG   . LEU B 2 48  ? -8.660  18.374 8.735   1.000 40.401  ? 48  LEU LLL HG   1 
ATOM   3937 H HD11 . LEU B 2 48  ? -9.271  19.831 6.853   1.000 41.968  ? 48  LEU LLL HD11 1 
ATOM   3938 H HD12 . LEU B 2 48  ? -9.885  20.214 8.265   1.000 41.577  ? 48  LEU LLL HD12 1 
ATOM   3939 H HD13 . LEU B 2 48  ? -10.777 19.454 7.193   1.000 42.797  ? 48  LEU LLL HD13 1 
ATOM   3940 H HD21 . LEU B 2 48  ? -11.187 17.158 8.267   1.000 42.871  ? 48  LEU LLL HD21 1 
ATOM   3941 H HD22 . LEU B 2 48  ? -10.980 18.172 9.472   1.000 41.934  ? 48  LEU LLL HD22 1 
ATOM   3942 H HD23 . LEU B 2 48  ? -10.168 16.808 9.434   1.000 41.998  ? 48  LEU LLL HD23 1 
ATOM   3943 N N    . ILE B 2 49  ? -6.856  15.816 5.484   1.000 38.934  ? 49  ILE LLL N    1 
ATOM   3944 C CA   . ILE B 2 49  ? -6.409  15.458 4.119   1.000 38.694  ? 49  ILE LLL CA   1 
ATOM   3945 C C    . ILE B 2 49  ? -4.895  15.190 4.146   1.000 38.359  ? 49  ILE LLL C    1 
ATOM   3946 O O    . ILE B 2 49  ? -4.155  16.000 4.755   1.000 34.677  ? 49  ILE LLL O    1 
ATOM   3947 C CB   . ILE B 2 49  ? -6.779  16.572 3.124   1.000 39.241  ? 49  ILE LLL CB   1 
ATOM   3948 C CG1  . ILE B 2 49  ? -8.280  16.795 3.011   1.000 41.211  ? 49  ILE LLL CG1  1 
ATOM   3949 C CG2  . ILE B 2 49  ? -6.190  16.253 1.770   1.000 40.026  ? 49  ILE LLL CG2  1 
ATOM   3950 C CD1  . ILE B 2 49  ? -9.026  15.579 2.482   1.000 42.581  ? 49  ILE LLL CD1  1 
ATOM   3951 H H    . ILE B 2 49  ? -6.340  16.459 5.868   1.000 38.283  ? 49  ILE LLL H    1 
ATOM   3952 H HA   . ILE B 2 49  ? -6.861  14.642 3.851   1.000 39.571  ? 49  ILE LLL HA   1 
ATOM   3953 H HB   . ILE B 2 49  ? -6.371  17.411 3.445   1.000 38.881  ? 49  ILE LLL HB   1 
ATOM   3954 H HG12 . ILE B 2 49  ? -8.636  17.027 3.895   1.000 40.605  ? 49  ILE LLL HG12 1 
ATOM   3955 H HG13 . ILE B 2 49  ? -8.444  17.554 2.410   1.000 41.264  ? 49  ILE LLL HG13 1 
ATOM   3956 H HG21 . ILE B 2 49  ? -5.262  16.544 1.741   1.000 39.527  ? 49  ILE LLL HG21 1 
ATOM   3957 H HG22 . ILE B 2 49  ? -6.692  16.716 1.078   1.000 40.595  ? 49  ILE LLL HG22 1 
ATOM   3958 H HG23 . ILE B 2 49  ? -6.232  15.294 1.612   1.000 40.340  ? 49  ILE LLL HG23 1 
ATOM   3959 H HD11 . ILE B 2 49  ? -8.608  15.268 1.661   1.000 42.863  ? 49  ILE LLL HD11 1 
ATOM   3960 H HD12 . ILE B 2 49  ? -9.951  15.820 2.300   1.000 43.169  ? 49  ILE LLL HD12 1 
ATOM   3961 H HD13 . ILE B 2 49  ? -9.004  14.870 3.145   1.000 42.356  ? 49  ILE LLL HD13 1 
ATOM   3962 N N    . TYR B 2 50  ? -4.438  14.108 3.492   1.000 39.015  ? 50  TYR LLL N    1 
ATOM   3963 C CA   . TYR B 2 50  ? -2.996  13.878 3.200   1.000 41.034  ? 50  TYR LLL CA   1 
ATOM   3964 C C    . TYR B 2 50  ? -2.805  13.644 1.701   1.000 43.060  ? 50  TYR LLL C    1 
ATOM   3965 O O    . TYR B 2 50  ? -3.761  13.294 0.969   1.000 41.069  ? 50  TYR LLL O    1 
ATOM   3966 C CB   . TYR B 2 50  ? -2.423  12.730 4.035   1.000 42.534  ? 50  TYR LLL CB   1 
ATOM   3967 C CG   . TYR B 2 50  ? -3.027  11.385 3.772   1.000 43.774  ? 50  TYR LLL CG   1 
ATOM   3968 C CD1  . TYR B 2 50  ? -4.264  11.064 4.293   1.000 47.456  ? 50  TYR LLL CD1  1 
ATOM   3969 C CD2  . TYR B 2 50  ? -2.388  10.450 2.993   1.000 46.079  ? 50  TYR LLL CD2  1 
ATOM   3970 C CE1  . TYR B 2 50  ? -4.862  9.839  4.065   1.000 48.604  ? 50  TYR LLL CE1  1 
ATOM   3971 C CE2  . TYR B 2 50  ? -2.967  9.214  2.751   1.000 49.956  ? 50  TYR LLL CE2  1 
ATOM   3972 C CZ   . TYR B 2 50  ? -4.199  8.904  3.308   1.000 50.473  ? 50  TYR LLL CZ   1 
ATOM   3973 O OH   . TYR B 2 50  ? -4.821  7.720  3.079   1.000 54.481  ? 50  TYR LLL OH   1 
ATOM   3974 H H    . TYR B 2 50  ? -4.976  13.448 3.167   1.000 40.129  ? 50  TYR LLL H    1 
ATOM   3975 H HA   . TYR B 2 50  ? -2.500  14.702 3.438   1.000 40.613  ? 50  TYR LLL HA   1 
ATOM   3976 H HB2  . TYR B 2 50  ? -1.459  12.680 3.867   1.000 42.067  ? 50  TYR LLL HB2  1 
ATOM   3977 H HB3  . TYR B 2 50  ? -2.547  12.950 4.982   1.000 41.823  ? 50  TYR LLL HB3  1 
ATOM   3978 H HD1  . TYR B 2 50  ? -4.714  11.699 4.826   1.000 46.491  ? 50  TYR LLL HD1  1 
ATOM   3979 H HD2  . TYR B 2 50  ? -1.543  10.648 2.624   1.000 46.230  ? 50  TYR LLL HD2  1 
ATOM   3980 H HE1  . TYR B 2 50  ? -5.704  9.640  4.438   1.000 49.218  ? 50  TYR LLL HE1  1 
ATOM   3981 H HE2  . TYR B 2 50  ? -2.517  8.576  2.222   1.000 49.475  ? 50  TYR LLL HE2  1 
ATOM   3982 H HH   . TYR B 2 50  ? -5.566  7.865  2.686   0.000 30.000  ? 50  TYR LLL HH   1 
ATOM   3983 N N    . LEU B 2 51  ? -1.572  13.832 1.235   1.000 42.429  ? 51  LEU LLL N    1 
ATOM   3984 C CA   . LEU B 2 51  ? -1.256  13.698 -0.204  1.000 44.046  ? 51  LEU LLL CA   1 
ATOM   3985 C C    . LEU B 2 51  ? -2.248  14.542 -1.017  1.000 42.199  ? 51  LEU LLL C    1 
ATOM   3986 O O    . LEU B 2 51  ? -2.650  14.070 -2.102  1.000 41.506  ? 51  LEU LLL O    1 
ATOM   3987 C CB   . LEU B 2 51  ? -1.321  12.215 -0.588  1.000 47.009  ? 51  LEU LLL CB   1 
ATOM   3988 C CG   . LEU B 2 51  ? 0.030   11.510 -0.576  1.000 50.866  ? 51  LEU LLL CG   1 
ATOM   3989 C CD1  . LEU B 2 51  ? -0.150  9.994  -0.512  1.000 53.758  ? 51  LEU LLL CD1  1 
ATOM   3990 C CD2  . LEU B 2 51  ? 0.862   11.924 -1.785  1.000 50.507  ? 51  LEU LLL CD2  1 
ATOM   3991 H H    . LEU B 2 51  ? -0.863  14.050 1.763   1.000 42.219  ? 51  LEU LLL H    1 
ATOM   3992 H HA   . LEU B 2 51  ? -0.347  14.039 -0.356  1.000 43.692  ? 51  LEU LLL HA   1 
ATOM   3993 H HB2  . LEU B 2 51  ? -1.918  11.754 0.034   1.000 47.246  ? 51  LEU LLL HB2  1 
ATOM   3994 H HB3  . LEU B 2 51  ? -1.706  12.135 -1.483  1.000 48.053  ? 51  LEU LLL HB3  1 
ATOM   3995 H HG   . LEU B 2 51  ? 0.514   11.793 0.239   1.000 49.682  ? 51  LEU LLL HG   1 
ATOM   3996 H HD11 . LEU B 2 51  ? -0.619  9.757  0.307   1.000 52.721  ? 51  LEU LLL HD11 1 
ATOM   3997 H HD12 . LEU B 2 51  ? 0.721   9.563  -0.524  1.000 52.926  ? 51  LEU LLL HD12 1 
ATOM   3998 H HD13 . LEU B 2 51  ? -0.669  9.696  -1.280  1.000 53.698  ? 51  LEU LLL HD13 1 
ATOM   3999 H HD21 . LEU B 2 51  ? 0.342   11.798 -2.598  1.000 51.469  ? 51  LEU LLL HD21 1 
ATOM   4000 H HD22 . LEU B 2 51  ? 1.666   11.377 -1.828  1.000 50.771  ? 51  LEU LLL HD22 1 
ATOM   4001 H HD23 . LEU B 2 51  ? 1.113   12.860 -1.704  1.000 50.496  ? 51  LEU LLL HD23 1 
ATOM   4002 N N    . ALA B 2 52  ? -2.644  15.716 -0.506  1.000 37.552  ? 52  ALA LLL N    1 
ATOM   4003 C CA   . ALA B 2 52  ? -3.425  16.742 -1.227  1.000 40.360  ? 52  ALA LLL CA   1 
ATOM   4004 C C    . ALA B 2 52  ? -4.905  16.366 -1.418  1.000 41.261  ? 52  ALA LLL C    1 
ATOM   4005 O O    . ALA B 2 52  ? -5.731  17.323 -1.443  1.000 41.993  ? 52  ALA LLL O    1 
ATOM   4006 C CB   . ALA B 2 52  ? -2.782  17.014 -2.567  1.000 40.933  ? 52  ALA LLL CB   1 
ATOM   4007 H H    . ALA B 2 52  ? -2.439  15.981 0.340   1.000 38.319  ? 52  ALA LLL H    1 
ATOM   4008 H HA   . ALA B 2 52  ? -3.391  17.573 -0.697  1.000 39.413  ? 52  ALA LLL HA   1 
ATOM   4009 H HB1  . ALA B 2 52  ? -3.062  17.887 -2.890  1.000 41.391  ? 52  ALA LLL HB1  1 
ATOM   4010 H HB2  . ALA B 2 52  ? -1.816  17.000 -2.473  1.000 40.709  ? 52  ALA LLL HB2  1 
ATOM   4011 H HB3  . ALA B 2 52  ? -3.055  16.333 -3.205  1.000 41.726  ? 52  ALA LLL HB3  1 
ATOM   4012 N N    . SER B 2 53  ? -5.239  15.093 -1.672  1.000 41.658  ? 53  SER LLL N    1 
ATOM   4013 C CA   . SER B 2 53  ? -6.619  14.657 -2.036  1.000 44.061  ? 53  SER LLL CA   1 
ATOM   4014 C C    . SER B 2 53  ? -7.134  13.456 -1.235  1.000 44.046  ? 53  SER LLL C    1 
ATOM   4015 O O    . SER B 2 53  ? -8.248  13.036 -1.551  1.000 45.256  ? 53  SER LLL O    1 
ATOM   4016 C CB   . SER B 2 53  ? -6.708  14.308 -3.503  1.000 46.312  ? 53  SER LLL CB   1 
ATOM   4017 O OG   . SER B 2 53  ? -5.926  13.145 -3.721  1.000 46.522  ? 53  SER LLL OG   1 
ATOM   4018 H H    . SER B 2 53  ? -4.648  14.404 -1.665  1.000 41.865  ? 53  SER LLL H    1 
ATOM   4019 H HA   . SER B 2 53  ? -7.232  15.419 -1.862  1.000 43.998  ? 53  SER LLL HA   1 
ATOM   4020 H HB2  . SER B 2 53  ? -7.644  14.139 -3.754  1.000 47.019  ? 53  SER LLL HB2  1 
ATOM   4021 H HB3  . SER B 2 53  ? -6.365  15.052 -4.046  1.000 46.368  ? 53  SER LLL HB3  1 
ATOM   4022 H HG   . SER B 2 53  ? -5.950  12.942 -4.523  0.000 30.000  ? 53  SER LLL HG   1 
ATOM   4023 N N    . ASN B 2 54  ? -6.394  12.896 -0.279  1.000 44.378  ? 54  ASN LLL N    1 
ATOM   4024 C CA   . ASN B 2 54  ? -6.829  11.662 0.442   1.000 45.466  ? 54  ASN LLL CA   1 
ATOM   4025 C C    . ASN B 2 54  ? -7.386  12.040 1.814   1.000 44.917  ? 54  ASN LLL C    1 
ATOM   4026 O O    . ASN B 2 54  ? -6.656  12.664 2.614   1.000 43.848  ? 54  ASN LLL O    1 
ATOM   4027 C CB   . ASN B 2 54  ? -5.708  10.640 0.637   1.000 46.183  ? 54  ASN LLL CB   1 
ATOM   4028 C CG   . ASN B 2 54  ? -5.136  10.131 -0.668  1.000 48.994  ? 54  ASN LLL CG   1 
ATOM   4029 O OD1  . ASN B 2 54  ? -5.871  9.746  -1.556  1.000 46.413  ? 54  ASN LLL OD1  1 
ATOM   4030 N ND2  . ASN B 2 54  ? -3.823  10.090 -0.759  1.000 52.692  ? 54  ASN LLL ND2  1 
ATOM   4031 H H    . ASN B 2 54  ? -5.594  13.230 -0.003  1.000 43.520  ? 54  ASN LLL H    1 
ATOM   4032 H HA   . ASN B 2 54  ? -7.542  11.228 -0.081  1.000 46.491  ? 54  ASN LLL HA   1 
ATOM   4033 H HB2  . ASN B 2 54  ? -4.991  11.052 1.161   1.000 45.549  ? 54  ASN LLL HB2  1 
ATOM   4034 H HB3  . ASN B 2 54  ? -6.058  9.882  1.148   1.000 46.669  ? 54  ASN LLL HB3  1 
ATOM   4035 H HD21 . ASN B 2 54  ? -3.438  9.858  -1.483  0.000 30.000  ? 54  ASN LLL HD21 1 
ATOM   4036 H HD22 . ASN B 2 54  ? -3.353  10.410 -0.058  0.000 30.000  ? 54  ASN LLL HD22 1 
ATOM   4037 N N    . ARG B 2 55  ? -8.623  11.637 2.084   1.000 45.892  ? 55  ARG LLL N    1 
ATOM   4038 C CA   . ARG B 2 55  ? -9.300  11.855 3.376   1.000 46.199  ? 55  ARG LLL CA   1 
ATOM   4039 C C    . ARG B 2 55  ? -8.676  10.950 4.408   1.000 44.693  ? 55  ARG LLL C    1 
ATOM   4040 O O    . ARG B 2 55  ? -8.543  9.780  4.142   1.000 42.847  ? 55  ARG LLL O    1 
ATOM   4041 C CB   . ARG B 2 55  ? -10.789 11.533 3.303   1.000 50.482  ? 55  ARG LLL CB   1 
ATOM   4042 C CG   . ARG B 2 55  ? -11.629 12.711 2.861   1.000 52.971  ? 55  ARG LLL CG   1 
ATOM   4043 C CD   . ARG B 2 55  ? -13.087 12.443 3.102   1.000 56.561  ? 55  ARG LLL CD   1 
ATOM   4044 N NE   . ARG B 2 55  ? -13.516 11.437 2.160   1.000 59.890  ? 55  ARG LLL NE   1 
ATOM   4045 C CZ   . ARG B 2 55  ? -13.824 11.674 0.891   1.000 64.435  ? 55  ARG LLL CZ   1 
ATOM   4046 N NH1  . ARG B 2 55  ? -13.766 12.901 0.391   1.000 62.980  ? 55  ARG LLL NH1  1 
ATOM   4047 N NH2  . ARG B 2 55  ? -14.194 10.664 0.122   1.000 67.763  ? 55  ARG LLL NH2  1 
ATOM   4048 H H    . ARG B 2 55  ? -9.134  11.193 1.474   1.000 46.963  ? 55  ARG LLL H    1 
ATOM   4049 H HA   . ARG B 2 55  ? -9.179  12.791 3.647   1.000 45.731  ? 55  ARG LLL HA   1 
ATOM   4050 H HB2  . ARG B 2 55  ? -10.923 10.791 2.677   1.000 51.122  ? 55  ARG LLL HB2  1 
ATOM   4051 H HB3  . ARG B 2 55  ? -11.092 11.240 4.188   1.000 50.266  ? 55  ARG LLL HB3  1 
ATOM   4052 H HG2  . ARG B 2 55  ? -11.361 13.512 3.360   1.000 52.053  ? 55  ARG LLL HG2  1 
ATOM   4053 H HG3  . ARG B 2 55  ? -11.482 12.880 1.906   1.000 53.352  ? 55  ARG LLL HG3  1 
ATOM   4054 H HD2  . ARG B 2 55  ? -13.219 12.120 4.018   1.000 56.213  ? 55  ARG LLL HD2  1 
ATOM   4055 H HD3  . ARG B 2 55  ? -13.606 13.265 2.984   1.000 56.537  ? 55  ARG LLL HD3  1 
ATOM   4056 H HE   . ARG B 2 55  ? -13.565 10.613 2.441   1.000 60.850  ? 55  ARG LLL HE   1 
ATOM   4057 H HH11 . ARG B 2 55  ? -13.518 13.575 0.894   1.000 62.274  ? 55  ARG LLL HH11 1 
ATOM   4058 H HH12 . ARG B 2 55  ? -13.975 13.038 -0.452  1.000 64.031  ? 55  ARG LLL HH12 1 
ATOM   4059 H HH21 . ARG B 2 55  ? -14.234 9.849  0.455   1.000 67.209  ? 55  ARG LLL HH21 1 
ATOM   4060 H HH22 . ARG B 2 55  ? -14.405 10.808 -0.721  1.000 67.651  ? 55  ARG LLL HH22 1 
ATOM   4061 N N    . ALA B 2 56  ? -8.291  11.515 5.542   1.000 44.994  ? 56  ALA LLL N    1 
ATOM   4062 C CA   . ALA B 2 56  ? -7.770  10.742 6.680   1.000 45.900  ? 56  ALA LLL CA   1 
ATOM   4063 C C    . ALA B 2 56  ? -8.894  9.874  7.236   1.000 50.062  ? 56  ALA LLL C    1 
ATOM   4064 O O    . ALA B 2 56  ? -10.084 10.106 6.934   1.000 48.524  ? 56  ALA LLL O    1 
ATOM   4065 C CB   . ALA B 2 56  ? -7.202  11.671 7.723   1.000 45.185  ? 56  ALA LLL CB   1 
ATOM   4066 H H    . ALA B 2 56  ? -8.319  12.411 5.704   1.000 44.430  ? 56  ALA LLL H    1 
ATOM   4067 H HA   . ALA B 2 56  ? -7.051  10.151 6.354   1.000 46.300  ? 56  ALA LLL HA   1 
ATOM   4068 H HB1  . ALA B 2 56  ? -6.837  11.150 8.458   1.000 44.998  ? 56  ALA LLL HB1  1 
ATOM   4069 H HB2  . ALA B 2 56  ? -6.496  12.210 7.328   1.000 44.446  ? 56  ALA LLL HB2  1 
ATOM   4070 H HB3  . ALA B 2 56  ? -7.905  12.253 8.057   1.000 45.041  ? 56  ALA LLL HB3  1 
ATOM   4071 N N    . THR B 2 57  ? -8.520  8.926  8.080   1.000 56.140  ? 57  THR LLL N    1 
ATOM   4072 C CA   . THR B 2 57  ? -9.442  7.917  8.644   1.000 57.521  ? 57  THR LLL CA   1 
ATOM   4073 C C    . THR B 2 57  ? -10.531 8.631  9.474   1.000 53.875  ? 57  THR LLL C    1 
ATOM   4074 O O    . THR B 2 57  ? -10.238 9.591  10.163  1.000 49.249  ? 57  THR LLL O    1 
ATOM   4075 C CB   . THR B 2 57  ? -8.602  6.833  9.329   1.000 63.188  ? 57  THR LLL CB   1 
ATOM   4076 O OG1  . THR B 2 57  ? -9.521  5.770  9.587   1.000 70.280  ? 57  THR LLL OG1  1 
ATOM   4077 C CG2  . THR B 2 57  ? -7.908  7.304  10.591  1.000 63.061  ? 57  THR LLL CG2  1 
ATOM   4078 H H    . THR B 2 57  ? -7.662  8.823  8.365   1.000 54.191  ? 57  THR LLL H    1 
ATOM   4079 H HA   . THR B 2 57  ? -9.894  7.491  7.879   1.000 58.530  ? 57  THR LLL HA   1 
ATOM   4080 H HB   . THR B 2 57  ? -7.920  6.518  8.689   1.000 63.003  ? 57  THR LLL HB   1 
ATOM   4081 H HG1  . THR B 2 57  ? -9.140  5.129  9.902   0.000 30.000  ? 57  THR LLL HG1  1 
ATOM   4082 H HG21 . THR B 2 57  ? -7.345  8.072  10.388  1.000 61.802  ? 57  THR LLL HG21 1 
ATOM   4083 H HG22 . THR B 2 57  ? -7.357  6.584  10.946  1.000 63.063  ? 57  THR LLL HG22 1 
ATOM   4084 H HG23 . THR B 2 57  ? -8.575  7.558  11.254  1.000 63.059  ? 57  THR LLL HG23 1 
ATOM   4085 N N    . GLY B 2 58  ? -11.791 8.225  9.311   1.000 55.322  ? 58  GLY LLL N    1 
ATOM   4086 C CA   . GLY B 2 58  ? -12.954 8.797  10.011  1.000 53.851  ? 58  GLY LLL CA   1 
ATOM   4087 C C    . GLY B 2 58  ? -13.212 10.269 9.696   1.000 51.055  ? 58  GLY LLL C    1 
ATOM   4088 O O    . GLY B 2 58  ? -13.920 10.910 10.495  1.000 53.521  ? 58  GLY LLL O    1 
ATOM   4089 H H    . GLY B 2 58  ? -12.006 7.547  8.741   1.000 55.702  ? 58  GLY LLL H    1 
ATOM   4090 H HA2  . GLY B 2 58  ? -13.758 8.272  9.768   1.000 55.120  ? 58  GLY LLL HA2  1 
ATOM   4091 H HA3  . GLY B 2 58  ? -12.817 8.697  10.986  1.000 53.747  ? 58  GLY LLL HA3  1 
ATOM   4092 N N    . ILE B 2 59  ? -12.718 10.801 8.581   1.000 46.360  ? 59  ILE LLL N    1 
ATOM   4093 C CA   . ILE B 2 59  ? -13.047 12.185 8.133   1.000 45.847  ? 59  ILE LLL CA   1 
ATOM   4094 C C    . ILE B 2 59  ? -14.246 12.108 7.182   1.000 47.005  ? 59  ILE LLL C    1 
ATOM   4095 O O    . ILE B 2 59  ? -14.210 11.413 6.189   1.000 46.963  ? 59  ILE LLL O    1 
ATOM   4096 C CB   . ILE B 2 59  ? -11.828 12.854 7.472   1.000 43.867  ? 59  ILE LLL CB   1 
ATOM   4097 C CG1  . ILE B 2 59  ? -10.650 13.022 8.447   1.000 42.502  ? 59  ILE LLL CG1  1 
ATOM   4098 C CG2  . ILE B 2 59  ? -12.233 14.178 6.832   1.000 43.385  ? 59  ILE LLL CG2  1 
ATOM   4099 C CD1  . ILE B 2 59  ? -11.016 13.711 9.743   1.000 40.850  ? 59  ILE LLL CD1  1 
ATOM   4100 H H    . ILE B 2 59  ? -12.161 10.354 8.017   1.000 47.251  ? 59  ILE LLL H    1 
ATOM   4101 H HA   . ILE B 2 59  ? -13.296 12.708 8.910   1.000 45.351  ? 59  ILE LLL HA   1 
ATOM   4102 H HB   . ILE B 2 59  ? -11.524 12.257 6.745   1.000 44.288  ? 59  ILE LLL HB   1 
ATOM   4103 H HG12 . ILE B 2 59  ? -10.288 12.134 8.656   1.000 42.460  ? 59  ILE LLL HG12 1 
ATOM   4104 H HG13 . ILE B 2 59  ? -9.944  13.535 8.003   1.000 41.544  ? 59  ILE LLL HG13 1 
ATOM   4105 H HG21 . ILE B 2 59  ? -12.617 14.013 5.953   1.000 44.237  ? 59  ILE LLL HG21 1 
ATOM   4106 H HG22 . ILE B 2 59  ? -11.450 14.748 6.738   1.000 42.585  ? 59  ILE LLL HG22 1 
ATOM   4107 H HG23 . ILE B 2 59  ? -12.891 14.625 7.393   1.000 43.572  ? 59  ILE LLL HG23 1 
ATOM   4108 H HD11 . ILE B 2 59  ? -11.631 14.442 9.561   1.000 41.290  ? 59  ILE LLL HD11 1 
ATOM   4109 H HD12 . ILE B 2 59  ? -10.213 14.062 10.164  1.000 40.371  ? 59  ILE LLL HD12 1 
ATOM   4110 H HD13 . ILE B 2 59  ? -11.441 13.073 10.342  1.000 41.840  ? 59  ILE LLL HD13 1 
ATOM   4111 N N    . PRO B 2 60  ? -15.346 12.837 7.423   1.000 49.894  ? 60  PRO LLL N    1 
ATOM   4112 C CA   . PRO B 2 60  ? -16.543 12.714 6.581   1.000 53.968  ? 60  PRO LLL CA   1 
ATOM   4113 C C    . PRO B 2 60  ? -16.303 13.151 5.128   1.000 53.847  ? 60  PRO LLL C    1 
ATOM   4114 O O    . PRO B 2 60  ? -15.498 14.014 4.899   1.000 51.284  ? 60  PRO LLL O    1 
ATOM   4115 C CB   . PRO B 2 60  ? -17.556 13.647 7.260   1.000 53.705  ? 60  PRO LLL CB   1 
ATOM   4116 C CG   . PRO B 2 60  ? -17.024 13.839 8.667   1.000 51.878  ? 60  PRO LLL CG   1 
ATOM   4117 C CD   . PRO B 2 60  ? -15.517 13.811 8.508   1.000 50.071  ? 60  PRO LLL CD   1 
ATOM   4118 H HA   . PRO B 2 60  ? -16.876 11.782 6.610   1.000 54.396  ? 60  PRO LLL HA   1 
ATOM   4119 H HB2  . PRO B 2 60  ? -17.612 14.507 6.790   1.000 53.372  ? 60  PRO LLL HB2  1 
ATOM   4120 H HB3  . PRO B 2 60  ? -18.448 13.239 7.279   1.000 55.011  ? 60  PRO LLL HB3  1 
ATOM   4121 H HG2  . PRO B 2 60  ? -17.319 14.696 9.038   1.000 51.575  ? 60  PRO LLL HG2  1 
ATOM   4122 H HG3  . PRO B 2 60  ? -17.325 13.117 9.256   1.000 52.632  ? 60  PRO LLL HG3  1 
ATOM   4123 H HD2  . PRO B 2 60  ? -15.169 14.687 8.256   1.000 49.072  ? 60  PRO LLL HD2  1 
ATOM   4124 H HD3  . PRO B 2 60  ? -15.083 13.515 9.328   1.000 49.417  ? 60  PRO LLL HD3  1 
ATOM   4125 N N    . ASP B 2 61  ? -17.023 12.553 4.178   1.000 57.291  ? 61  ASP LLL N    1 
ATOM   4126 C CA   . ASP B 2 61  ? -16.787 12.787 2.725   1.000 58.020  ? 61  ASP LLL CA   1 
ATOM   4127 C C    . ASP B 2 61  ? -17.188 14.219 2.316   1.000 54.736  ? 61  ASP LLL C    1 
ATOM   4128 O O    . ASP B 2 61  ? -16.728 14.649 1.244   1.000 55.478  ? 61  ASP LLL O    1 
ATOM   4129 C CB   . ASP B 2 61  ? -17.407 11.703 1.841   1.000 62.492  ? 61  ASP LLL CB   1 
ATOM   4130 C CG   . ASP B 2 61  ? -18.809 11.349 2.258   1.000 67.408  ? 61  ASP LLL CG   1 
ATOM   4131 O OD1  . ASP B 2 61  ? -19.384 12.098 3.091   1.000 70.722  ? 61  ASP LLL OD1  1 
ATOM   4132 O OD2  . ASP B 2 61  ? -19.301 10.324 1.781   1.000 72.389  ? 61  ASP LLL OD2  1 
ATOM   4133 H H    . ASP B 2 61  ? -17.693 11.968 4.365   1.000 58.058  ? 61  ASP LLL H    1 
ATOM   4134 H HA   . ASP B 2 61  ? -15.816 12.720 2.589   1.000 56.823  ? 61  ASP LLL HA   1 
ATOM   4135 H HB2  . ASP B 2 61  ? -17.425 12.013 0.912   1.000 63.057  ? 61  ASP LLL HB2  1 
ATOM   4136 H HB3  . ASP B 2 61  ? -16.855 10.895 1.885   1.000 62.433  ? 61  ASP LLL HB3  1 
ATOM   4137 N N    . ARG B 2 62  ? -17.883 15.010 3.137   1.000 51.653  ? 62  ARG LLL N    1 
ATOM   4138 C CA   . ARG B 2 62  ? -18.083 16.434 2.759   1.000 50.708  ? 62  ARG LLL CA   1 
ATOM   4139 C C    . ARG B 2 62  ? -16.722 17.162 2.624   1.000 48.490  ? 62  ARG LLL C    1 
ATOM   4140 O O    . ARG B 2 62  ? -16.674 18.225 1.994   1.000 47.048  ? 62  ARG LLL O    1 
ATOM   4141 C CB   . ARG B 2 62  ? -19.054 17.117 3.724   1.000 51.580  ? 62  ARG LLL CB   1 
ATOM   4142 C CG   . ARG B 2 62  ? -18.532 17.338 5.138   1.000 50.859  ? 62  ARG LLL CG   1 
ATOM   4143 C CD   . ARG B 2 62  ? -19.562 18.145 5.889   1.000 51.009  ? 62  ARG LLL CD   1 
ATOM   4144 N NE   . ARG B 2 62  ? -19.255 18.350 7.294   1.000 49.431  ? 62  ARG LLL NE   1 
ATOM   4145 C CZ   . ARG B 2 62  ? -19.346 17.423 8.244   1.000 50.282  ? 62  ARG LLL CZ   1 
ATOM   4146 N NH1  . ARG B 2 62  ? -19.749 16.194 7.957   1.000 51.916  ? 62  ARG LLL NH1  1 
ATOM   4147 N NH2  . ARG B 2 62  ? -19.038 17.748 9.492   1.000 51.250  ? 62  ARG LLL NH2  1 
ATOM   4148 H H    . ARG B 2 62  ? -18.268 14.743 3.918   1.000 52.276  ? 62  ARG LLL H    1 
ATOM   4149 H HA   . ARG B 2 62  ? -18.506 16.438 1.869   1.000 52.058  ? 62  ARG LLL HA   1 
ATOM   4150 H HB2  . ARG B 2 62  ? -19.297 17.988 3.345   1.000 51.775  ? 62  ARG LLL HB2  1 
ATOM   4151 H HB3  . ARG B 2 62  ? -19.870 16.580 3.773   1.000 52.915  ? 62  ARG LLL HB3  1 
ATOM   4152 H HG2  . ARG B 2 62  ? -18.391 16.476 5.585   1.000 50.627  ? 62  ARG LLL HG2  1 
ATOM   4153 H HG3  . ARG B 2 62  ? -17.682 17.826 5.115   1.000 49.414  ? 62  ARG LLL HG3  1 
ATOM   4154 H HD2  . ARG B 2 62  ? -19.645 19.020 5.457   1.000 50.931  ? 62  ARG LLL HD2  1 
ATOM   4155 H HD3  . ARG B 2 62  ? -20.432 17.697 5.816   1.000 52.319  ? 62  ARG LLL HD3  1 
ATOM   4156 H HE   . ARG B 2 62  ? -18.988 19.142 7.533   1.000 48.942  ? 62  ARG LLL HE   1 
ATOM   4157 H HH11 . ARG B 2 62  ? -19.957 15.975 7.135   1.000 52.614  ? 62  ARG LLL HH11 1 
ATOM   4158 H HH12 . ARG B 2 62  ? -19.806 15.594 8.598   1.000 52.054  ? 62  ARG LLL HH12 1 
ATOM   4159 H HH21 . ARG B 2 62  ? -18.772 18.565 9.681   1.000 49.678  ? 62  ARG LLL HH21 1 
ATOM   4160 H HH22 . ARG B 2 62  ? -19.096 17.143 10.130  1.000 50.713  ? 62  ARG LLL HH22 1 
ATOM   4161 N N    . PHE B 2 63  ? -15.640 16.658 3.212   1.000 46.282  ? 63  PHE LLL N    1 
ATOM   4162 C CA   . PHE B 2 63  ? -14.292 17.267 3.058   1.000 44.697  ? 63  PHE LLL CA   1 
ATOM   4163 C C    . PHE B 2 63  ? -13.611 16.700 1.805   1.000 46.657  ? 63  PHE LLL C    1 
ATOM   4164 O O    . PHE B 2 63  ? -13.562 15.473 1.632   1.000 47.927  ? 63  PHE LLL O    1 
ATOM   4165 C CB   . PHE B 2 63  ? -13.426 17.056 4.300   1.000 42.842  ? 63  PHE LLL CB   1 
ATOM   4166 C CG   . PHE B 2 63  ? -13.900 17.800 5.520   1.000 42.468  ? 63  PHE LLL CG   1 
ATOM   4167 C CD1  . PHE B 2 63  ? -14.837 17.242 6.373   1.000 44.699  ? 63  PHE LLL CD1  1 
ATOM   4168 C CD2  . PHE B 2 63  ? -13.401 19.047 5.825   1.000 41.740  ? 63  PHE LLL CD2  1 
ATOM   4169 C CE1  . PHE B 2 63  ? -15.299 17.933 7.488   1.000 44.676  ? 63  PHE LLL CE1  1 
ATOM   4170 C CE2  . PHE B 2 63  ? -13.836 19.725 6.955   1.000 42.648  ? 63  PHE LLL CE2  1 
ATOM   4171 C CZ   . PHE B 2 63  ? -14.777 19.166 7.790   1.000 43.965  ? 63  PHE LLL CZ   1 
ATOM   4172 H H    . PHE B 2 63  ? -15.643 15.932 3.762   1.000 46.446  ? 63  PHE LLL H    1 
ATOM   4173 H HA   . PHE B 2 63  ? -14.406 18.243 2.928   1.000 44.783  ? 63  PHE LLL HA   1 
ATOM   4174 H HB2  . PHE B 2 63  ? -13.403 16.097 4.503   1.000 43.241  ? 63  PHE LLL HB2  1 
ATOM   4175 H HB3  . PHE B 2 63  ? -12.511 17.339 4.093   1.000 42.236  ? 63  PHE LLL HB3  1 
ATOM   4176 H HD1  . PHE B 2 63  ? -15.198 16.394 6.171   1.000 45.252  ? 63  PHE LLL HD1  1 
ATOM   4177 H HD2  . PHE B 2 63  ? -12.751 19.439 5.264   1.000 41.741  ? 63  PHE LLL HD2  1 
ATOM   4178 H HE1  . PHE B 2 63  ? -15.935 17.535 8.060   1.000 45.142  ? 63  PHE LLL HE1  1 
ATOM   4179 H HE2  . PHE B 2 63  ? -13.486 20.579 7.150   1.000 41.800  ? 63  PHE LLL HE2  1 
ATOM   4180 H HZ   . PHE B 2 63  ? -15.076 19.636 8.552   1.000 43.333  ? 63  PHE LLL HZ   1 
ATOM   4181 N N    . SER B 2 64  ? -13.000 17.587 1.020   1.000 46.568  ? 64  SER LLL N    1 
ATOM   4182 C CA   . SER B 2 64  ? -12.390 17.300 -0.299  1.000 48.812  ? 64  SER LLL CA   1 
ATOM   4183 C C    . SER B 2 64  ? -11.128 18.146 -0.510  1.000 46.646  ? 64  SER LLL C    1 
ATOM   4184 O O    . SER B 2 64  ? -11.225 19.390 -0.501  1.000 45.049  ? 64  SER LLL O    1 
ATOM   4185 C CB   . SER B 2 64  ? -13.399 17.593 -1.346  1.000 51.010  ? 64  SER LLL CB   1 
ATOM   4186 O OG   . SER B 2 64  ? -13.100 16.835 -2.465  1.000 54.874  ? 64  SER LLL OG   1 
ATOM   4187 H H    . SER B 2 64  ? -12.913 18.465 1.248   1.000 46.397  ? 64  SER LLL H    1 
ATOM   4188 H HA   . SER B 2 64  ? -12.147 16.337 -0.337  1.000 48.494  ? 64  SER LLL HA   1 
ATOM   4189 H HB2  . SER B 2 64  ? -14.298 17.364 -1.017  1.000 52.147  ? 64  SER LLL HB2  1 
ATOM   4190 H HB3  . SER B 2 64  ? -13.383 18.550 -1.574  1.000 51.517  ? 64  SER LLL HB3  1 
ATOM   4191 H HG   . SER B 2 64  ? -13.423 17.268 -3.098  0.000 30.000  ? 64  SER LLL HG   1 
ATOM   4192 N N    . GLY B 2 65  ? -9.980  17.498 -0.668  1.000 46.076  ? 65  GLY LLL N    1 
ATOM   4193 C CA   . GLY B 2 65  ? -8.743  18.184 -1.082  1.000 45.435  ? 65  GLY LLL CA   1 
ATOM   4194 C C    . GLY B 2 65  ? -8.528  18.008 -2.576  1.000 45.058  ? 65  GLY LLL C    1 
ATOM   4195 O O    . GLY B 2 65  ? -8.841  16.935 -3.065  1.000 43.303  ? 65  GLY LLL O    1 
ATOM   4196 H H    . GLY B 2 65  ? -9.894  16.602 -0.528  1.000 46.087  ? 65  GLY LLL H    1 
ATOM   4197 H HA2  . GLY B 2 65  ? -8.809  19.145 -0.863  1.000 44.779  ? 65  GLY LLL HA2  1 
ATOM   4198 H HA3  . GLY B 2 65  ? -7.978  17.801 -0.588  1.000 44.234  ? 65  GLY LLL HA3  1 
ATOM   4199 N N    . SER B 2 66  ? -8.049  19.028 -3.278  1.000 44.891  ? 66  SER LLL N    1 
ATOM   4200 C CA   . SER B 2 66  ? -7.571  18.882 -4.671  1.000 48.091  ? 66  SER LLL CA   1 
ATOM   4201 C C    . SER B 2 66  ? -6.403  19.840 -4.966  1.000 47.638  ? 66  SER LLL C    1 
ATOM   4202 O O    . SER B 2 66  ? -5.981  20.616 -4.054  1.000 47.248  ? 66  SER LLL O    1 
ATOM   4203 C CB   . SER B 2 66  ? -8.730  19.035 -5.645  1.000 51.295  ? 66  SER LLL CB   1 
ATOM   4204 O OG   . SER B 2 66  ? -9.335  20.298 -5.499  1.000 53.127  ? 66  SER LLL OG   1 
ATOM   4205 H H    . SER B 2 66  ? -7.981  19.881 -2.964  1.000 45.096  ? 66  SER LLL H    1 
ATOM   4206 H HA   . SER B 2 66  ? -7.222  17.955 -4.766  1.000 47.886  ? 66  SER LLL HA   1 
ATOM   4207 H HB2  . SER B 2 66  ? -8.404  18.932 -6.565  1.000 52.213  ? 66  SER LLL HB2  1 
ATOM   4208 H HB3  . SER B 2 66  ? -9.395  18.331 -5.475  1.000 51.597  ? 66  SER LLL HB3  1 
ATOM   4209 H HG   . SER B 2 66  ? -9.975  20.335 -6.044  0.000 30.000  ? 66  SER LLL HG   1 
ATOM   4210 N N    . GLY B 2 67  ? -5.917  19.802 -6.213  1.000 47.763  ? 67  GLY LLL N    1 
ATOM   4211 C CA   . GLY B 2 67  ? -4.764  20.585 -6.684  1.000 46.879  ? 67  GLY LLL CA   1 
ATOM   4212 C C    . GLY B 2 67  ? -3.462  19.809 -6.619  1.000 46.025  ? 67  GLY LLL C    1 
ATOM   4213 O O    . GLY B 2 67  ? -3.430  18.672 -6.098  1.000 45.801  ? 67  GLY LLL O    1 
ATOM   4214 H H    . GLY B 2 67  ? -6.275  19.264 -6.854  1.000 48.657  ? 67  GLY LLL H    1 
ATOM   4215 H HA2  . GLY B 2 67  ? -4.929  20.867 -7.619  1.000 48.337  ? 67  GLY LLL HA2  1 
ATOM   4216 H HA3  . GLY B 2 67  ? -4.685  21.400 -6.131  1.000 46.538  ? 67  GLY LLL HA3  1 
ATOM   4217 N N    . SER B 2 68  ? -2.412  20.434 -7.137  1.000 46.785  ? 68  SER LLL N    1 
ATOM   4218 C CA   . SER B 2 68  ? -1.030  19.911 -7.269  1.000 47.464  ? 68  SER LLL CA   1 
ATOM   4219 C C    . SER B 2 68  ? -0.126  21.100 -7.564  1.000 48.584  ? 68  SER LLL C    1 
ATOM   4220 O O    . SER B 2 68  ? -0.661  22.137 -7.896  1.000 51.238  ? 68  SER LLL O    1 
ATOM   4221 C CB   . SER B 2 68  ? -0.939  18.921 -8.403  1.000 49.333  ? 68  SER LLL CB   1 
ATOM   4222 O OG   . SER B 2 68  ? -1.404  19.557 -9.587  1.000 51.437  ? 68  SER LLL OG   1 
ATOM   4223 H H    . SER B 2 68  ? -2.479  21.280 -7.470  1.000 47.538  ? 68  SER LLL H    1 
ATOM   4224 H HA   . SER B 2 68  ? -0.754  19.481 -6.416  1.000 46.433  ? 68  SER LLL HA   1 
ATOM   4225 H HB2  . SER B 2 68  ? -0.007  18.630 -8.521  1.000 49.164  ? 68  SER LLL HB2  1 
ATOM   4226 H HB3  . SER B 2 68  ? -1.493  18.132 -8.205  1.000 48.992  ? 68  SER LLL HB3  1 
ATOM   4227 H HG   . SER B 2 68  ? -1.327  19.056 -10.236 0.000 30.000  ? 68  SER LLL HG   1 
ATOM   4228 N N    . GLY B 2 69  ? 1.186   20.921 -7.533  1.000 50.184  ? 69  GLY LLL N    1 
ATOM   4229 C CA   . GLY B 2 69  ? 2.158   21.968 -7.886  1.000 49.822  ? 69  GLY LLL CA   1 
ATOM   4230 C C    . GLY B 2 69  ? 2.219   23.000 -6.776  1.000 49.509  ? 69  GLY LLL C    1 
ATOM   4231 O O    . GLY B 2 69  ? 2.747   22.684 -5.686  1.000 46.061  ? 69  GLY LLL O    1 
ATOM   4232 H H    . GLY B 2 69  ? 1.562   20.129 -7.287  1.000 48.953  ? 69  GLY LLL H    1 
ATOM   4233 H HA2  . GLY B 2 69  ? 3.051   21.559 -8.012  1.000 50.307  ? 69  GLY LLL HA2  1 
ATOM   4234 H HA3  . GLY B 2 69  ? 1.884   22.400 -8.734  1.000 51.505  ? 69  GLY LLL HA3  1 
ATOM   4235 N N    . THR B 2 70  ? 1.713   24.200 -7.040  1.000 50.307  ? 70  THR LLL N    1 
ATOM   4236 C CA   . THR B 2 70  ? 1.758   25.337 -6.088  1.000 52.144  ? 70  THR LLL CA   1 
ATOM   4237 C C    . THR B 2 70  ? 0.342   25.757 -5.690  1.000 52.571  ? 70  THR LLL C    1 
ATOM   4238 O O    . THR B 2 70  ? 0.226   26.803 -5.004  1.000 53.458  ? 70  THR LLL O    1 
ATOM   4239 C CB   . THR B 2 70  ? 2.546   26.504 -6.693  1.000 52.619  ? 70  THR LLL CB   1 
ATOM   4240 O OG1  . THR B 2 70  ? 1.885   26.906 -7.887  1.000 54.788  ? 70  THR LLL OG1  1 
ATOM   4241 C CG2  . THR B 2 70  ? 3.981   26.138 -6.992  1.000 52.687  ? 70  THR LLL CG2  1 
ATOM   4242 H H    . THR B 2 70  ? 1.306   24.414 -7.826  1.000 51.933  ? 70  THR LLL H    1 
ATOM   4243 H HA   . THR B 2 70  ? 2.227   25.036 -5.277  1.000 50.569  ? 70  THR LLL HA   1 
ATOM   4244 H HB   . THR B 2 70  ? 2.535   27.253 -6.053  1.000 52.457  ? 70  THR LLL HB   1 
ATOM   4245 H HG1  . THR B 2 70  ? 2.293   27.547 -8.241  0.000 30.000  ? 70  THR LLL HG1  1 
ATOM   4246 H HG21 . THR B 2 70  ? 4.299   25.505 -6.325  1.000 51.727  ? 70  THR LLL HG21 1 
ATOM   4247 H HG22 . THR B 2 70  ? 4.534   26.939 -6.970  1.000 53.419  ? 70  THR LLL HG22 1 
ATOM   4248 H HG23 . THR B 2 70  ? 4.036   25.730 -7.876  1.000 53.706  ? 70  THR LLL HG23 1 
ATOM   4249 N N    . ASP B 2 71  ? -0.683  24.999 -6.097  1.000 52.409  ? 71  ASP LLL N    1 
ATOM   4250 C CA   . ASP B 2 71  ? -2.085  25.485 -6.033  1.000 54.221  ? 71  ASP LLL CA   1 
ATOM   4251 C C    . ASP B 2 71  ? -3.023  24.427 -5.438  1.000 49.176  ? 71  ASP LLL C    1 
ATOM   4252 O O    . ASP B 2 71  ? -3.389  23.480 -6.140  1.000 48.195  ? 71  ASP LLL O    1 
ATOM   4253 C CB   . ASP B 2 71  ? -2.503  25.968 -7.421  1.000 61.538  ? 71  ASP LLL CB   1 
ATOM   4254 C CG   . ASP B 2 71  ? -3.112  27.341 -7.305  1.000 68.907  ? 71  ASP LLL CG   1 
ATOM   4255 O OD1  . ASP B 2 71  ? -4.109  27.466 -6.539  1.000 71.340  ? 71  ASP LLL OD1  1 
ATOM   4256 O OD2  . ASP B 2 71  ? -2.526  28.283 -7.880  1.000 77.375  ? 71  ASP LLL OD2  1 
ATOM   4257 H H    . ASP B 2 71  ? -0.590  24.152 -6.418  1.000 52.871  ? 71  ASP LLL H    1 
ATOM   4258 H HA   . ASP B 2 71  ? -2.100  26.267 -5.432  1.000 53.636  ? 71  ASP LLL HA   1 
ATOM   4259 H HB2  . ASP B 2 71  ? -1.723  26.011 -8.011  1.000 62.398  ? 71  ASP LLL HB2  1 
ATOM   4260 H HB3  . ASP B 2 71  ? -3.159  25.356 -7.813  1.000 62.007  ? 71  ASP LLL HB3  1 
ATOM   4261 N N    . PHE B 2 72  ? -3.437  24.586 -4.186  1.000 45.799  ? 72  PHE LLL N    1 
ATOM   4262 C CA   . PHE B 2 72  ? -4.215  23.538 -3.472  1.000 45.459  ? 72  PHE LLL CA   1 
ATOM   4263 C C    . PHE B 2 72  ? -5.508  24.114 -2.915  1.000 44.765  ? 72  PHE LLL C    1 
ATOM   4264 O O    . PHE B 2 72  ? -5.535  25.274 -2.530  1.000 45.046  ? 72  PHE LLL O    1 
ATOM   4265 C CB   . PHE B 2 72  ? -3.386  22.899 -2.350  1.000 44.481  ? 72  PHE LLL CB   1 
ATOM   4266 C CG   . PHE B 2 72  ? -2.125  22.255 -2.842  1.000 43.635  ? 72  PHE LLL CG   1 
ATOM   4267 C CD1  . PHE B 2 72  ? -2.128  20.930 -3.257  1.000 43.564  ? 72  PHE LLL CD1  1 
ATOM   4268 C CD2  . PHE B 2 72  ? -0.958  22.992 -2.943  1.000 44.015  ? 72  PHE LLL CD2  1 
ATOM   4269 C CE1  . PHE B 2 72  ? -0.972  20.349 -3.751  1.000 43.891  ? 72  PHE LLL CE1  1 
ATOM   4270 C CE2  . PHE B 2 72  ? 0.198   22.404 -3.439  1.000 44.947  ? 72  PHE LLL CE2  1 
ATOM   4271 C CZ   . PHE B 2 72  ? 0.189   21.086 -3.844  1.000 44.255  ? 72  PHE LLL CZ   1 
ATOM   4272 H H    . PHE B 2 72  ? -3.283  25.329 -3.681  1.000 46.057  ? 72  PHE LLL H    1 
ATOM   4273 H HA   . PHE B 2 72  ? -4.453  22.829 -4.121  1.000 45.959  ? 72  PHE LLL HA   1 
ATOM   4274 H HB2  . PHE B 2 72  ? -3.157  23.592 -1.695  1.000 43.600  ? 72  PHE LLL HB2  1 
ATOM   4275 H HB3  . PHE B 2 72  ? -3.935  22.225 -1.898  1.000 43.705  ? 72  PHE LLL HB3  1 
ATOM   4276 H HD1  . PHE B 2 72  ? -2.924  20.424 -3.205  1.000 43.741  ? 72  PHE LLL HD1  1 
ATOM   4277 H HD2  . PHE B 2 72  ? -0.950  23.898 -2.677  1.000 44.081  ? 72  PHE LLL HD2  1 
ATOM   4278 H HE1  . PHE B 2 72  ? -0.979  19.444 -4.021  1.000 44.093  ? 72  PHE LLL HE1  1 
ATOM   4279 H HE2  . PHE B 2 72  ? 0.995   22.908 -3.496  1.000 44.794  ? 72  PHE LLL HE2  1 
ATOM   4280 H HZ   . PHE B 2 72  ? 0.980   20.685 -4.167  1.000 44.591  ? 72  PHE LLL HZ   1 
ATOM   4281 N N    . THR B 2 73  ? -6.530  23.266 -2.828  1.000 47.183  ? 73  THR LLL N    1 
ATOM   4282 C CA   . THR B 2 73  ? -7.903  23.635 -2.395  1.000 46.203  ? 73  THR LLL CA   1 
ATOM   4283 C C    . THR B 2 73  ? -8.456  22.590 -1.436  1.000 45.045  ? 73  THR LLL C    1 
ATOM   4284 O O    . THR B 2 73  ? -8.408  21.383 -1.754  1.000 42.638  ? 73  THR LLL O    1 
ATOM   4285 C CB   . THR B 2 73  ? -8.865  23.726 -3.584  1.000 48.605  ? 73  THR LLL CB   1 
ATOM   4286 O OG1  . THR B 2 73  ? -8.370  24.768 -4.410  1.000 50.101  ? 73  THR LLL OG1  1 
ATOM   4287 C CG2  . THR B 2 73  ? -10.286 24.053 -3.189  1.000 49.413  ? 73  THR LLL CG2  1 
ATOM   4288 H H    . THR B 2 73  ? -6.458  22.381 -3.033  1.000 46.405  ? 73  THR LLL H    1 
ATOM   4289 H HA   . THR B 2 73  ? -7.866  24.505 -1.943  1.000 46.103  ? 73  THR LLL HA   1 
ATOM   4290 H HB   . THR B 2 73  ? -8.847  22.872 -4.079  1.000 49.115  ? 73  THR LLL HB   1 
ATOM   4291 H HG1  . THR B 2 73  ? -8.860  24.829 -5.090  0.000 30.000  ? 73  THR LLL HG1  1 
ATOM   4292 H HG21 . THR B 2 73  ? -10.748 23.238 -2.926  1.000 49.232  ? 73  THR LLL HG21 1 
ATOM   4293 H HG22 . THR B 2 73  ? -10.748 24.456 -3.946  1.000 50.512  ? 73  THR LLL HG22 1 
ATOM   4294 H HG23 . THR B 2 73  ? -10.281 24.678 -2.443  1.000 48.545  ? 73  THR LLL HG23 1 
ATOM   4295 N N    . LEU B 2 74  ? -8.988  23.075 -0.324  1.000 44.547  ? 74  LEU LLL N    1 
ATOM   4296 C CA   . LEU B 2 74  ? -9.879  22.319 0.573   1.000 45.505  ? 74  LEU LLL CA   1 
ATOM   4297 C C    . LEU B 2 74  ? -11.288 22.832 0.301   1.000 46.333  ? 74  LEU LLL C    1 
ATOM   4298 O O    . LEU B 2 74  ? -11.553 24.063 0.461   1.000 45.518  ? 74  LEU LLL O    1 
ATOM   4299 C CB   . LEU B 2 74  ? -9.480  22.532 2.039   1.000 44.577  ? 74  LEU LLL CB   1 
ATOM   4300 C CG   . LEU B 2 74  ? -10.340 21.783 3.056   1.000 45.851  ? 74  LEU LLL CG   1 
ATOM   4301 C CD1  . LEU B 2 74  ? -10.113 20.296 2.937   1.000 45.485  ? 74  LEU LLL CD1  1 
ATOM   4302 C CD2  . LEU B 2 74  ? -10.050 22.229 4.484   1.000 46.663  ? 74  LEU LLL CD2  1 
ATOM   4303 H H    . LEU B 2 74  ? -8.828  23.925 -0.038  1.000 44.494  ? 74  LEU LLL H    1 
ATOM   4304 H HA   . LEU B 2 74  ? -9.827  21.363 0.345   1.000 45.493  ? 74  LEU LLL HA   1 
ATOM   4305 H HB2  . LEU B 2 74  ? -8.552  22.250 2.150   1.000 44.231  ? 74  LEU LLL HB2  1 
ATOM   4306 H HB3  . LEU B 2 74  ? -9.524  23.489 2.237   1.000 44.650  ? 74  LEU LLL HB3  1 
ATOM   4307 H HG   . LEU B 2 74  ? -11.291 21.969 2.861   1.000 46.543  ? 74  LEU LLL HG   1 
ATOM   4308 H HD11 . LEU B 2 74  ? -10.509 19.971 2.110   1.000 46.536  ? 74  LEU LLL HD11 1 
ATOM   4309 H HD12 . LEU B 2 74  ? -10.525 19.843 3.693   1.000 45.477  ? 74  LEU LLL HD12 1 
ATOM   4310 H HD13 . LEU B 2 74  ? -9.157  20.112 2.932   1.000 45.112  ? 74  LEU LLL HD13 1 
ATOM   4311 H HD21 . LEU B 2 74  ? -9.128  22.013 4.711   1.000 45.423  ? 74  LEU LLL HD21 1 
ATOM   4312 H HD22 . LEU B 2 74  ? -10.650 21.770 5.097   1.000 46.045  ? 74  LEU LLL HD22 1 
ATOM   4313 H HD23 . LEU B 2 74  ? -10.184 23.190 4.558   1.000 45.971  ? 74  LEU LLL HD23 1 
ATOM   4314 N N    . THR B 2 75  ? -12.158 21.931 -0.118  1.000 46.632  ? 75  THR LLL N    1 
ATOM   4315 C CA   . THR B 2 75  ? -13.588 22.245 -0.282  1.000 47.427  ? 75  THR LLL CA   1 
ATOM   4316 C C    . THR B 2 75  ? -14.348 21.513 0.803   1.000 46.507  ? 75  THR LLL C    1 
ATOM   4317 O O    . THR B 2 75  ? -14.095 20.317 0.979   1.000 46.230  ? 75  THR LLL O    1 
ATOM   4318 C CB   . THR B 2 75  ? -14.125 21.850 -1.660  1.000 49.631  ? 75  THR LLL CB   1 
ATOM   4319 O OG1  . THR B 2 75  ? -13.213 22.350 -2.638  1.000 47.881  ? 75  THR LLL OG1  1 
ATOM   4320 C CG2  . THR B 2 75  ? -15.520 22.393 -1.877  1.000 50.400  ? 75  THR LLL CG2  1 
ATOM   4321 H H    . THR B 2 75  ? -11.950 21.070 -0.332  1.000 46.819  ? 75  THR LLL H    1 
ATOM   4322 H HA   . THR B 2 75  ? -13.709 23.212 -0.161  1.000 47.385  ? 75  THR LLL HA   1 
ATOM   4323 H HB   . THR B 2 75  ? -14.151 20.865 -1.717  1.000 49.226  ? 75  THR LLL HB   1 
ATOM   4324 H HG1  . THR B 2 75  ? -13.475 22.183 -3.413  0.000 30.000  ? 75  THR LLL HG1  1 
ATOM   4325 H HG21 . THR B 2 75  ? -16.160 21.862 -1.369  1.000 50.750  ? 75  THR LLL HG21 1 
ATOM   4326 H HG22 . THR B 2 75  ? -15.743 22.347 -2.824  1.000 51.890  ? 75  THR LLL HG22 1 
ATOM   4327 H HG23 . THR B 2 75  ? -15.560 23.319 -1.580  1.000 50.278  ? 75  THR LLL HG23 1 
ATOM   4328 N N    . ILE B 2 76  ? -15.236 22.230 1.481   1.000 47.733  ? 76  ILE LLL N    1 
ATOM   4329 C CA   . ILE B 2 76  ? -16.291 21.631 2.336   1.000 49.567  ? 76  ILE LLL CA   1 
ATOM   4330 C C    . ILE B 2 76  ? -17.645 21.807 1.650   1.000 50.972  ? 76  ILE LLL C    1 
ATOM   4331 O O    . ILE B 2 76  ? -18.158 22.933 1.582   1.000 50.033  ? 76  ILE LLL O    1 
ATOM   4332 C CB   . ILE B 2 76  ? -16.257 22.249 3.729   1.000 48.566  ? 76  ILE LLL CB   1 
ATOM   4333 C CG1  . ILE B 2 76  ? -14.827 22.326 4.239   1.000 47.574  ? 76  ILE LLL CG1  1 
ATOM   4334 C CG2  . ILE B 2 76  ? -17.156 21.455 4.659   1.000 51.993  ? 76  ILE LLL CG2  1 
ATOM   4335 C CD1  . ILE B 2 76  ? -14.703 23.016 5.575   1.000 48.072  ? 76  ILE LLL CD1  1 
ATOM   4336 H H    . ILE B 2 76  ? -15.256 23.140 1.461   1.000 47.712  ? 76  ILE LLL H    1 
ATOM   4337 H HA   . ILE B 2 76  ? -16.112 20.679 2.424   1.000 49.210  ? 76  ILE LLL HA   1 
ATOM   4338 H HB   . ILE B 2 76  ? -16.611 23.170 3.667   1.000 49.386  ? 76  ILE LLL HB   1 
ATOM   4339 H HG12 . ILE B 2 76  ? -14.469 21.416 4.318   1.000 47.629  ? 76  ILE LLL HG12 1 
ATOM   4340 H HG13 . ILE B 2 76  ? -14.280 22.810 3.585   1.000 47.729  ? 76  ILE LLL HG13 1 
ATOM   4341 H HG21 . ILE B 2 76  ? -18.054 21.408 4.287   1.000 52.219  ? 76  ILE LLL HG21 1 
ATOM   4342 H HG22 . ILE B 2 76  ? -17.192 21.889 5.529   1.000 50.351  ? 76  ILE LLL HG22 1 
ATOM   4343 H HG23 . ILE B 2 76  ? -16.803 20.554 4.763   1.000 50.881  ? 76  ILE LLL HG23 1 
ATOM   4344 H HD11 . ILE B 2 76  ? -15.283 23.797 5.593   1.000 47.877  ? 76  ILE LLL HD11 1 
ATOM   4345 H HD12 . ILE B 2 76  ? -13.781 23.296 5.713   1.000 46.705  ? 76  ILE LLL HD12 1 
ATOM   4346 H HD13 . ILE B 2 76  ? -14.963 22.403 6.284   1.000 47.458  ? 76  ILE LLL HD13 1 
ATOM   4347 N N    . SER B 2 77  ? -18.194 20.721 1.133   1.000 53.468  ? 77  SER LLL N    1 
ATOM   4348 C CA   . SER B 2 77  ? -19.315 20.796 0.165   1.000 57.952  ? 77  SER LLL CA   1 
ATOM   4349 C C    . SER B 2 77  ? -20.585 21.300 0.869   1.000 58.287  ? 77  SER LLL C    1 
ATOM   4350 O O    . SER B 2 77  ? -21.343 22.016 0.238   1.000 59.568  ? 77  SER LLL O    1 
ATOM   4351 C CB   . SER B 2 77  ? -19.496 19.474 -0.494  1.000 60.448  ? 77  SER LLL CB   1 
ATOM   4352 O OG   . SER B 2 77  ? -19.946 18.531 0.455   1.000 61.921  ? 77  SER LLL OG   1 
ATOM   4353 H H    . SER B 2 77  ? -17.940 19.868 1.328   1.000 53.513  ? 77  SER LLL H    1 
ATOM   4354 H HA   . SER B 2 77  ? -19.069 21.461 -0.534  1.000 57.883  ? 77  SER LLL HA   1 
ATOM   4355 H HB2  . SER B 2 77  ? -20.153 19.554 -1.222  1.000 62.003  ? 77  SER LLL HB2  1 
ATOM   4356 H HB3  . SER B 2 77  ? -18.640 19.177 -0.879  1.000 59.923  ? 77  SER LLL HB3  1 
ATOM   4357 H HG   . SER B 2 77  ? -20.023 17.799 0.047   0.000 30.000  ? 77  SER LLL HG   1 
ATOM   4358 N N    . ARG B 2 78  ? -20.788 20.978 2.148   1.000 57.993  ? 78  ARG LLL N    1 
ATOM   4359 C CA   . ARG B 2 78  ? -21.972 21.431 2.926   1.000 60.238  ? 78  ARG LLL CA   1 
ATOM   4360 C C    . ARG B 2 78  ? -21.548 21.684 4.386   1.000 58.554  ? 78  ARG LLL C    1 
ATOM   4361 O O    . ARG B 2 78  ? -21.276 20.700 5.084   1.000 61.448  ? 78  ARG LLL O    1 
ATOM   4362 C CB   . ARG B 2 78  ? -23.072 20.373 2.800   1.000 64.200  ? 78  ARG LLL CB   1 
ATOM   4363 C CG   . ARG B 2 78  ? -24.125 20.462 3.896   1.000 68.416  ? 78  ARG LLL CG   1 
ATOM   4364 C CD   . ARG B 2 78  ? -25.364 19.636 3.642   1.000 73.869  ? 78  ARG LLL CD   1 
ATOM   4365 N NE   . ARG B 2 78  ? -26.493 20.109 4.456   1.000 78.396  ? 78  ARG LLL NE   1 
ATOM   4366 C CZ   . ARG B 2 78  ? -27.408 21.015 4.085   1.000 80.984  ? 78  ARG LLL CZ   1 
ATOM   4367 N NH1  . ARG B 2 78  ? -27.349 21.597 2.898   1.000 81.751  ? 78  ARG LLL NH1  1 
ATOM   4368 N NH2  . ARG B 2 78  ? -28.399 21.329 4.905   1.000 82.600  ? 78  ARG LLL NH2  1 
ATOM   4369 H H    . ARG B 2 78  ? -20.215 20.450 2.620   1.000 57.307  ? 78  ARG LLL H    1 
ATOM   4370 H HA   . ARG B 2 78  ? -22.297 22.277 2.540   1.000 60.785  ? 78  ARG LLL HA   1 
ATOM   4371 H HB2  . ARG B 2 78  ? -23.509 20.477 1.930   1.000 65.884  ? 78  ARG LLL HB2  1 
ATOM   4372 H HB3  . ARG B 2 78  ? -22.658 19.485 2.828   1.000 64.331  ? 78  ARG LLL HB3  1 
ATOM   4373 H HG2  . ARG B 2 78  ? -23.729 20.168 4.743   1.000 67.112  ? 78  ARG LLL HG2  1 
ATOM   4374 H HG3  . ARG B 2 78  ? -24.392 21.399 4.004   1.000 68.049  ? 78  ARG LLL HG3  1 
ATOM   4375 H HD2  . ARG B 2 78  ? -25.600 19.682 2.691   1.000 75.102  ? 78  ARG LLL HD2  1 
ATOM   4376 H HD3  . ARG B 2 78  ? -25.178 18.698 3.861   1.000 74.009  ? 78  ARG LLL HD3  1 
ATOM   4377 H HE   . ARG B 2 78  ? -26.592 19.747 5.243   1.000 77.705  ? 78  ARG LLL HE   1 
ATOM   4378 H HH11 . ARG B 2 78  ? -26.705 21.397 2.338   1.000 81.166  ? 78  ARG LLL HH11 1 
ATOM   4379 H HH12 . ARG B 2 78  ? -27.956 22.191 2.672   1.000 82.547  ? 78  ARG LLL HH12 1 
ATOM   4380 H HH21 . ARG B 2 78  ? -28.451 20.949 5.699   1.000 81.885  ? 78  ARG LLL HH21 1 
ATOM   4381 H HH22 . ARG B 2 78  ? -28.996 21.931 4.664   1.000 83.083  ? 78  ARG LLL HH22 1 
ATOM   4382 N N    . LEU B 2 79  ? -21.461 22.943 4.823   1.000 55.479  ? 79  LEU LLL N    1 
ATOM   4383 C CA   . LEU B 2 79  ? -20.910 23.323 6.159   1.000 55.620  ? 79  LEU LLL CA   1 
ATOM   4384 C C    . LEU B 2 79  ? -21.881 22.892 7.254   1.000 55.892  ? 79  LEU LLL C    1 
ATOM   4385 O O    . LEU B 2 79  ? -22.995 23.431 7.279   1.000 61.108  ? 79  LEU LLL O    1 
ATOM   4386 C CB   . LEU B 2 79  ? -20.695 24.835 6.255   1.000 55.086  ? 79  LEU LLL CB   1 
ATOM   4387 C CG   . LEU B 2 79  ? -19.462 25.386 5.551   1.000 55.406  ? 79  LEU LLL CG   1 
ATOM   4388 C CD1  . LEU B 2 79  ? -19.547 26.900 5.410   1.000 57.136  ? 79  LEU LLL CD1  1 
ATOM   4389 C CD2  . LEU B 2 79  ? -18.209 24.996 6.302   1.000 54.838  ? 79  LEU LLL CD2  1 
ATOM   4390 H H    . LEU B 2 79  ? -21.738 23.653 4.324   1.000 56.954  ? 79  LEU LLL H    1 
ATOM   4391 H HA   . LEU B 2 79  ? -20.053 22.857 6.288   1.000 54.320  ? 79  LEU LLL HA   1 
ATOM   4392 H HB2  . LEU B 2 79  ? -21.484 25.280 5.886   1.000 56.394  ? 79  LEU LLL HB2  1 
ATOM   4393 H HB3  . LEU B 2 79  ? -20.641 25.076 7.201   1.000 54.568  ? 79  LEU LLL HB3  1 
ATOM   4394 H HG   . LEU B 2 79  ? -19.417 24.991 4.646   1.000 56.422  ? 79  LEU LLL HG   1 
ATOM   4395 H HD11 . LEU B 2 79  ? -20.235 27.129 4.761   1.000 57.797  ? 79  LEU LLL HD11 1 
ATOM   4396 H HD12 . LEU B 2 79  ? -18.690 27.247 5.107   1.000 55.933  ? 79  LEU LLL HD12 1 
ATOM   4397 H HD13 . LEU B 2 79  ? -19.770 27.295 6.271   1.000 56.099  ? 79  LEU LLL HD13 1 
ATOM   4398 H HD21 . LEU B 2 79  ? -18.295 25.257 7.236   1.000 53.886  ? 79  LEU LLL HD21 1 
ATOM   4399 H HD22 . LEU B 2 79  ? -17.441 25.446 5.910   1.000 53.949  ? 79  LEU LLL HD22 1 
ATOM   4400 H HD23 . LEU B 2 79  ? -18.083 24.033 6.246   1.000 54.588  ? 79  LEU LLL HD23 1 
ATOM   4401 N N    . GLU B 2 80  ? -21.468 21.951 8.099   1.000 54.493  ? 80  GLU LLL N    1 
ATOM   4402 C CA   . GLU B 2 80  ? -22.147 21.593 9.365   1.000 53.714  ? 80  GLU LLL CA   1 
ATOM   4403 C C    . GLU B 2 80  ? -21.594 22.490 10.467  1.000 56.512  ? 80  GLU LLL C    1 
ATOM   4404 O O    . GLU B 2 80  ? -20.471 22.996 10.351  1.000 52.564  ? 80  GLU LLL O    1 
ATOM   4405 C CB   . GLU B 2 80  ? -21.933 20.114 9.656   1.000 52.903  ? 80  GLU LLL CB   1 
ATOM   4406 C CG   . GLU B 2 80  ? -22.422 19.209 8.553   1.000 54.047  ? 80  GLU LLL CG   1 
ATOM   4407 C CD   . GLU B 2 80  ? -23.935 19.037 8.416   1.000 57.177  ? 80  GLU LLL CD   1 
ATOM   4408 O OE1  . GLU B 2 80  ? -24.704 19.759 9.083   1.000 59.475  ? 80  GLU LLL OE1  1 
ATOM   4409 O OE2  . GLU B 2 80  ? -24.337 18.186 7.610   1.000 59.833  ? 80  GLU LLL OE2  1 
ATOM   4410 H H    . GLU B 2 80  ? -20.719 21.458 7.943   1.000 53.794  ? 80  GLU LLL H    1 
ATOM   4411 H HA   . GLU B 2 80  ? -23.111 21.766 9.265   1.000 55.709  ? 80  GLU LLL HA   1 
ATOM   4412 H HB2  . GLU B 2 80  ? -20.976 19.958 9.796   1.000 51.921  ? 80  GLU LLL HB2  1 
ATOM   4413 H HB3  . GLU B 2 80  ? -22.400 19.885 10.484  1.000 53.510  ? 80  GLU LLL HB3  1 
ATOM   4414 H HG2  . GLU B 2 80  ? -22.079 19.545 7.699   1.000 54.182  ? 80  GLU LLL HG2  1 
ATOM   4415 H HG3  . GLU B 2 80  ? -22.032 18.320 8.690   1.000 54.318  ? 80  GLU LLL HG3  1 
ATOM   4416 N N    . PRO B 2 81  ? -22.345 22.714 11.575  1.000 60.778  ? 81  PRO LLL N    1 
ATOM   4417 C CA   . PRO B 2 81  ? -21.957 23.738 12.547  1.000 59.959  ? 81  PRO LLL CA   1 
ATOM   4418 C C    . PRO B 2 81  ? -20.615 23.407 13.225  1.000 56.860  ? 81  PRO LLL C    1 
ATOM   4419 O O    . PRO B 2 81  ? -19.942 24.328 13.612  1.000 57.642  ? 81  PRO LLL O    1 
ATOM   4420 C CB   . PRO B 2 81  ? -23.148 23.818 13.524  1.000 64.483  ? 81  PRO LLL CB   1 
ATOM   4421 C CG   . PRO B 2 81  ? -23.875 22.459 13.366  1.000 67.608  ? 81  PRO LLL CG   1 
ATOM   4422 C CD   . PRO B 2 81  ? -23.568 21.984 11.959  1.000 65.075  ? 81  PRO LLL CD   1 
ATOM   4423 H HA   . PRO B 2 81  ? -21.878 24.605 12.075  1.000 59.906  ? 81  PRO LLL HA   1 
ATOM   4424 H HB2  . PRO B 2 81  ? -22.837 23.942 14.444  1.000 61.614  ? 81  PRO LLL HB2  1 
ATOM   4425 H HB3  . PRO B 2 81  ? -23.744 24.561 13.290  1.000 64.104  ? 81  PRO LLL HB3  1 
ATOM   4426 H HG2  . PRO B 2 81  ? -23.547 21.813 14.024  1.000 66.356  ? 81  PRO LLL HG2  1 
ATOM   4427 H HG3  . PRO B 2 81  ? -24.840 22.568 13.489  1.000 67.752  ? 81  PRO LLL HG3  1 
ATOM   4428 H HD2  . PRO B 2 81  ? -23.420 21.021 11.943  1.000 65.403  ? 81  PRO LLL HD2  1 
ATOM   4429 H HD3  . PRO B 2 81  ? -24.300 22.198 11.352  1.000 66.179  ? 81  PRO LLL HD3  1 
ATOM   4430 N N    . GLU B 2 82  ? -20.226 22.135 13.273  1.000 55.596  ? 82  GLU LLL N    1 
ATOM   4431 C CA   . GLU B 2 82  ? -18.905 21.677 13.770  1.000 56.278  ? 82  GLU LLL CA   1 
ATOM   4432 C C    . GLU B 2 82  ? -17.757 21.973 12.787  1.000 57.206  ? 82  GLU LLL C    1 
ATOM   4433 O O    . GLU B 2 82  ? -16.635 21.579 13.117  1.000 57.277  ? 82  GLU LLL O    1 
ATOM   4434 C CB   . GLU B 2 82  ? -18.858 20.160 14.016  1.000 56.504  ? 82  GLU LLL CB   1 
ATOM   4435 C CG   . GLU B 2 82  ? -19.222 19.259 12.837  1.000 57.909  ? 82  GLU LLL CG   1 
ATOM   4436 C CD   . GLU B 2 82  ? -20.693 18.853 12.848  1.000 59.776  ? 82  GLU LLL CD   1 
ATOM   4437 O OE1  . GLU B 2 82  ? -21.548 19.750 12.891  1.000 62.993  ? 82  GLU LLL OE1  1 
ATOM   4438 O OE2  . GLU B 2 82  ? -20.982 17.653 12.867  1.000 62.427  ? 82  GLU LLL OE2  1 
ATOM   4439 H H    . GLU B 2 82  ? -20.770 21.456 13.015  1.000 57.402  ? 82  GLU LLL H    1 
ATOM   4440 H HA   . GLU B 2 82  ? -18.718 22.141 14.619  1.000 55.602  ? 82  GLU LLL HA   1 
ATOM   4441 H HB2  . GLU B 2 82  ? -17.957 19.924 14.317  1.000 55.942  ? 82  GLU LLL HB2  1 
ATOM   4442 H HB3  . GLU B 2 82  ? -19.469 19.962 14.750  1.000 57.501  ? 82  GLU LLL HB3  1 
ATOM   4443 H HG2  . GLU B 2 82  ? -19.030 19.726 11.996  1.000 57.563  ? 82  GLU LLL HG2  1 
ATOM   4444 H HG3  . GLU B 2 82  ? -18.670 18.449 12.865  1.000 57.726  ? 82  GLU LLL HG3  1 
ATOM   4445 N N    . ASP B 2 83  ? -18.008 22.518 11.592  1.000 56.108  ? 83  ASP LLL N    1 
ATOM   4446 C CA   . ASP B 2 83  ? -16.934 22.752 10.585  1.000 51.125  ? 83  ASP LLL CA   1 
ATOM   4447 C C    . ASP B 2 83  ? -16.422 24.182 10.726  1.000 49.242  ? 83  ASP LLL C    1 
ATOM   4448 O O    . ASP B 2 83  ? -15.425 24.491 10.089  1.000 48.172  ? 83  ASP LLL O    1 
ATOM   4449 C CB   . ASP B 2 83  ? -17.428 22.552 9.158   1.000 51.497  ? 83  ASP LLL CB   1 
ATOM   4450 C CG   . ASP B 2 83  ? -17.998 21.171 8.894   1.000 52.167  ? 83  ASP LLL CG   1 
ATOM   4451 O OD1  . ASP B 2 83  ? -17.701 20.248 9.671   1.000 50.685  ? 83  ASP LLL OD1  1 
ATOM   4452 O OD2  . ASP B 2 83  ? -18.736 21.032 7.900   1.000 54.818  ? 83  ASP LLL OD2  1 
ATOM   4453 H H    . ASP B 2 83  ? -18.838 22.765 11.317  1.000 56.164  ? 83  ASP LLL H    1 
ATOM   4454 H HA   . ASP B 2 83  ? -16.192 22.127 10.757  1.000 51.094  ? 83  ASP LLL HA   1 
ATOM   4455 H HB2  . ASP B 2 83  ? -18.123 23.213 8.965   1.000 52.091  ? 83  ASP LLL HB2  1 
ATOM   4456 H HB3  . ASP B 2 83  ? -16.684 22.701 8.539   1.000 51.113  ? 83  ASP LLL HB3  1 
ATOM   4457 N N    . PHE B 2 84  ? -17.108 25.032 11.500  1.000 48.321  ? 84  PHE LLL N    1 
ATOM   4458 C CA   . PHE B 2 84  ? -16.650 26.419 11.762  1.000 47.479  ? 84  PHE LLL CA   1 
ATOM   4459 C C    . PHE B 2 84  ? -15.479 26.335 12.727  1.000 45.973  ? 84  PHE LLL C    1 
ATOM   4460 O O    . PHE B 2 84  ? -15.646 25.862 13.849  1.000 46.894  ? 84  PHE LLL O    1 
ATOM   4461 C CB   . PHE B 2 84  ? -17.806 27.304 12.207  1.000 48.751  ? 84  PHE LLL CB   1 
ATOM   4462 C CG   . PHE B 2 84  ? -18.799 27.501 11.101  1.000 50.251  ? 84  PHE LLL CG   1 
ATOM   4463 C CD1  . PHE B 2 84  ? -18.571 28.455 10.126  1.000 50.363  ? 84  PHE LLL CD1  1 
ATOM   4464 C CD2  . PHE B 2 84  ? -19.920 26.696 11.008  1.000 51.798  ? 84  PHE LLL CD2  1 
ATOM   4465 C CE1  . PHE B 2 84  ? -19.477 28.639 9.098   1.000 52.511  ? 84  PHE LLL CE1  1 
ATOM   4466 C CE2  . PHE B 2 84  ? -20.821 26.866 9.970   1.000 52.913  ? 84  PHE LLL CE2  1 
ATOM   4467 C CZ   . PHE B 2 84  ? -20.596 27.835 9.017   1.000 54.268  ? 84  PHE LLL CZ   1 
ATOM   4468 H H    . PHE B 2 84  ? -17.893 24.831 11.913  1.000 49.163  ? 84  PHE LLL H    1 
ATOM   4469 H HA   . PHE B 2 84  ? -16.307 26.787 10.908  1.000 47.558  ? 84  PHE LLL HA   1 
ATOM   4470 H HB2  . PHE B 2 84  ? -18.250 26.888 12.975  1.000 48.822  ? 84  PHE LLL HB2  1 
ATOM   4471 H HB3  . PHE B 2 84  ? -17.453 28.174 12.488  1.000 48.072  ? 84  PHE LLL HB3  1 
ATOM   4472 H HD1  . PHE B 2 84  ? -17.809 29.005 10.181  1.000 49.799  ? 84  PHE LLL HD1  1 
ATOM   4473 H HD2  . PHE B 2 84  ? -20.074 26.032 11.660  1.000 51.763  ? 84  PHE LLL HD2  1 
ATOM   4474 H HE1  . PHE B 2 84  ? -19.320 29.299 8.442   1.000 52.615  ? 84  PHE LLL HE1  1 
ATOM   4475 H HE2  . PHE B 2 84  ? -21.591 26.323 9.920   1.000 54.264  ? 84  PHE LLL HE2  1 
ATOM   4476 H HZ   . PHE B 2 84  ? -21.213 27.956 8.312   1.000 54.881  ? 84  PHE LLL HZ   1 
ATOM   4477 N N    . ALA B 2 85  ? -14.295 26.654 12.221  1.000 42.909  ? 85  ALA LLL N    1 
ATOM   4478 C CA   . ALA B 2 85  ? -13.006 26.337 12.873  1.000 40.746  ? 85  ALA LLL CA   1 
ATOM   4479 C C    . ALA B 2 85  ? -11.908 26.992 12.054  1.000 39.127  ? 85  ALA LLL C    1 
ATOM   4480 O O    . ALA B 2 85  ? -12.246 27.589 11.014  1.000 41.141  ? 85  ALA LLL O    1 
ATOM   4481 C CB   . ALA B 2 85  ? -12.808 24.834 12.950  1.000 42.165  ? 85  ALA LLL CB   1 
ATOM   4482 H H    . ALA B 2 85  ? -14.188 27.098 11.432  1.000 43.321  ? 85  ALA LLL H    1 
ATOM   4483 H HA   . ALA B 2 85  ? -13.002 26.717 13.783  1.000 40.668  ? 85  ALA LLL HA   1 
ATOM   4484 H HB1  . ALA B 2 85  ? -11.943 24.639 13.346  1.000 41.226  ? 85  ALA LLL HB1  1 
ATOM   4485 H HB2  . ALA B 2 85  ? -13.508 24.440 13.496  1.000 42.210  ? 85  ALA LLL HB2  1 
ATOM   4486 H HB3  . ALA B 2 85  ? -12.846 24.456 12.056  1.000 42.130  ? 85  ALA LLL HB3  1 
ATOM   4487 N N    . VAL B 2 86  ? -10.651 26.838 12.481  1.000 37.251  ? 86  VAL LLL N    1 
ATOM   4488 C CA   . VAL B 2 86  ? -9.473  27.282 11.694  1.000 35.766  ? 86  VAL LLL CA   1 
ATOM   4489 C C    . VAL B 2 86  ? -8.931  26.077 10.903  1.000 36.428  ? 86  VAL LLL C    1 
ATOM   4490 O O    . VAL B 2 86  ? -8.836  24.949 11.463  1.000 37.370  ? 86  VAL LLL O    1 
ATOM   4491 C CB   . VAL B 2 86  ? -8.408  27.918 12.611  1.000 36.092  ? 86  VAL LLL CB   1 
ATOM   4492 C CG1  . VAL B 2 86  ? -7.306  28.559 11.769  1.000 35.212  ? 86  VAL LLL CG1  1 
ATOM   4493 C CG2  . VAL B 2 86  ? -9.029  28.948 13.584  1.000 35.240  ? 86  VAL LLL CG2  1 
ATOM   4494 H H    . VAL B 2 86  ? -10.440 26.453 13.280  1.000 36.966  ? 86  VAL LLL H    1 
ATOM   4495 H HA   . VAL B 2 86  ? -9.769  27.957 11.059  1.000 36.622  ? 86  VAL LLL HA   1 
ATOM   4496 H HB   . VAL B 2 86  ? -8.002  27.193 13.148  1.000 35.351  ? 86  VAL LLL HB   1 
ATOM   4497 H HG11 . VAL B 2 86  ? -6.767  27.863 11.354  1.000 35.491  ? 86  VAL LLL HG11 1 
ATOM   4498 H HG12 . VAL B 2 86  ? -6.741  29.109 12.338  1.000 35.257  ? 86  VAL LLL HG12 1 
ATOM   4499 H HG13 . VAL B 2 86  ? -7.706  29.114 11.078  1.000 35.876  ? 86  VAL LLL HG13 1 
ATOM   4500 H HG21 . VAL B 2 86  ? -9.626  29.539 13.094  1.000 35.795  ? 86  VAL LLL HG21 1 
ATOM   4501 H HG22 . VAL B 2 86  ? -8.321  29.472 13.998  1.000 35.211  ? 86  VAL LLL HG22 1 
ATOM   4502 H HG23 . VAL B 2 86  ? -9.531  28.481 14.275  1.000 35.449  ? 86  VAL LLL HG23 1 
ATOM   4503 N N    . TYR B 2 87  ? -8.539  26.311 9.660   1.000 35.387  ? 87  TYR LLL N    1 
ATOM   4504 C CA   . TYR B 2 87  ? -8.006  25.274 8.733   1.000 36.477  ? 87  TYR LLL CA   1 
ATOM   4505 C C    . TYR B 2 87  ? -6.579  25.663 8.349   1.000 35.503  ? 87  TYR LLL C    1 
ATOM   4506 O O    . TYR B 2 87  ? -6.371  26.794 7.858   1.000 36.273  ? 87  TYR LLL O    1 
ATOM   4507 C CB   . TYR B 2 87  ? -8.912  25.115 7.518   1.000 35.156  ? 87  TYR LLL CB   1 
ATOM   4508 C CG   . TYR B 2 87  ? -10.229 24.508 7.885   1.000 37.326  ? 87  TYR LLL CG   1 
ATOM   4509 C CD1  . TYR B 2 87  ? -11.286 25.294 8.319   1.000 36.540  ? 87  TYR LLL CD1  1 
ATOM   4510 C CD2  . TYR B 2 87  ? -10.393 23.130 7.896   1.000 37.404  ? 87  TYR LLL CD2  1 
ATOM   4511 C CE1  . TYR B 2 87  ? -12.487 24.724 8.728   1.000 37.964  ? 87  TYR LLL CE1  1 
ATOM   4512 C CE2  . TYR B 2 87  ? -11.589 22.547 8.290   1.000 36.969  ? 87  TYR LLL CE2  1 
ATOM   4513 C CZ   . TYR B 2 87  ? -12.635 23.345 8.717   1.000 38.692  ? 87  TYR LLL CZ   1 
ATOM   4514 O OH   . TYR B 2 87  ? -13.793 22.753 9.121   1.000 40.556  ? 87  TYR LLL OH   1 
ATOM   4515 H H    . TYR B 2 87  ? -8.566  27.137 9.276   1.000 36.099  ? 87  TYR LLL H    1 
ATOM   4516 H HA   . TYR B 2 87  ? -7.975  24.411 9.213   1.000 35.555  ? 87  TYR LLL HA   1 
ATOM   4517 H HB2  . TYR B 2 87  ? -9.060  25.996 7.116   1.000 36.363  ? 87  TYR LLL HB2  1 
ATOM   4518 H HB3  . TYR B 2 87  ? -8.463  24.547 6.857   1.000 36.272  ? 87  TYR LLL HB3  1 
ATOM   4519 H HD1  . TYR B 2 87  ? -11.187 26.232 8.345   1.000 36.887  ? 87  TYR LLL HD1  1 
ATOM   4520 H HD2  . TYR B 2 87  ? -9.680  22.578 7.622   1.000 37.046  ? 87  TYR LLL HD2  1 
ATOM   4521 H HE1  . TYR B 2 87  ? -13.198 25.272 9.013   1.000 38.080  ? 87  TYR LLL HE1  1 
ATOM   4522 H HE2  . TYR B 2 87  ? -11.684 21.610 8.286   1.000 37.852  ? 87  TYR LLL HE2  1 
ATOM   4523 H HH   . TYR B 2 87  ? -14.448 23.014 8.631   0.000 30.000  ? 87  TYR LLL HH   1 
ATOM   4524 N N    . TYR B 2 88  ? -5.619  24.793 8.626   1.000 34.151  ? 88  TYR LLL N    1 
ATOM   4525 C CA   . TYR B 2 88  ? -4.213  24.991 8.188   1.000 35.055  ? 88  TYR LLL CA   1 
ATOM   4526 C C    . TYR B 2 88  ? -3.873  24.007 7.078   1.000 36.013  ? 88  TYR LLL C    1 
ATOM   4527 O O    . TYR B 2 88  ? -4.187  22.819 7.236   1.000 36.777  ? 88  TYR LLL O    1 
ATOM   4528 C CB   . TYR B 2 88  ? -3.277  24.815 9.375   1.000 35.566  ? 88  TYR LLL CB   1 
ATOM   4529 C CG   . TYR B 2 88  ? -3.543  25.799 10.472  1.000 35.070  ? 88  TYR LLL CG   1 
ATOM   4530 C CD1  . TYR B 2 88  ? -3.033  27.082 10.407  1.000 35.850  ? 88  TYR LLL CD1  1 
ATOM   4531 C CD2  . TYR B 2 88  ? -4.260  25.429 11.594  1.000 35.779  ? 88  TYR LLL CD2  1 
ATOM   4532 C CE1  . TYR B 2 88  ? -3.276  27.999 11.422  1.000 37.048  ? 88  TYR LLL CE1  1 
ATOM   4533 C CE2  . TYR B 2 88  ? -4.455  26.308 12.649  1.000 36.151  ? 88  TYR LLL CE2  1 
ATOM   4534 C CZ   . TYR B 2 88  ? -3.998  27.612 12.540  1.000 36.569  ? 88  TYR LLL CZ   1 
ATOM   4535 O OH   . TYR B 2 88  ? -4.216  28.503 13.551  1.000 36.136  ? 88  TYR LLL OH   1 
ATOM   4536 H H    . TYR B 2 88  ? -5.743  24.023 9.097   1.000 34.447  ? 88  TYR LLL H    1 
ATOM   4537 H HA   . TYR B 2 88  ? -4.112  25.910 7.837   1.000 35.400  ? 88  TYR LLL HA   1 
ATOM   4538 H HB2  . TYR B 2 88  ? -3.378  23.905 9.725   1.000 35.142  ? 88  TYR LLL HB2  1 
ATOM   4539 H HB3  . TYR B 2 88  ? -2.353  24.921 9.065   1.000 35.368  ? 88  TYR LLL HB3  1 
ATOM   4540 H HD1  . TYR B 2 88  ? -2.557  27.355 9.640   1.000 36.395  ? 88  TYR LLL HD1  1 
ATOM   4541 H HD2  . TYR B 2 88  ? -4.578  24.544 11.667  1.000 35.736  ? 88  TYR LLL HD2  1 
ATOM   4542 H HE1  . TYR B 2 88  ? -2.937  28.877 11.359  1.000 36.799  ? 88  TYR LLL HE1  1 
ATOM   4543 H HE2  . TYR B 2 88  ? -4.970  26.048 13.395  1.000 35.929  ? 88  TYR LLL HE2  1 
ATOM   4544 H HH   . TYR B 2 88  ? -4.638  29.175 13.260  0.000 30.000  ? 88  TYR LLL HH   1 
ATOM   4545 N N    . CYS B 2 89  ? -3.214  24.465 6.014   1.000 36.479  ? 89  CYS LLL N    1 
ATOM   4546 C CA   . CYS B 2 89  ? -2.490  23.551 5.088   1.000 36.872  ? 89  CYS LLL CA   1 
ATOM   4547 C C    . CYS B 2 89  ? -1.053  23.384 5.612   1.000 34.963  ? 89  CYS LLL C    1 
ATOM   4548 O O    . CYS B 2 89  ? -0.612  24.211 6.423   1.000 34.184  ? 89  CYS LLL O    1 
ATOM   4549 C CB   . CYS B 2 89  ? -2.547  24.021 3.636   1.000 39.899  ? 89  CYS LLL CB   1 
ATOM   4550 S SG   . CYS B 2 89  ? -1.828  25.657 3.397   1.000 43.389  ? 89  CYS LLL SG   1 
ATOM   4551 H H    . CYS B 2 89  ? -3.149  25.341 5.780   1.000 36.725  ? 89  CYS LLL H    1 
ATOM   4552 H HA   . CYS B 2 89  ? -2.933  22.676 5.134   1.000 36.899  ? 89  CYS LLL HA   1 
ATOM   4553 H HB2  . CYS B 2 89  ? -2.066  23.382 3.071   1.000 40.335  ? 89  CYS LLL HB2  1 
ATOM   4554 H HB3  . CYS B 2 89  ? -3.480  24.044 3.341   1.000 40.376  ? 89  CYS LLL HB3  1 
ATOM   4555 N N    . GLN B 2 90  ? -0.365  22.326 5.205   1.000 32.918  ? 90  GLN LLL N    1 
ATOM   4556 C CA   . GLN B 2 90  ? 1.042   22.062 5.580   1.000 33.797  ? 90  GLN LLL CA   1 
ATOM   4557 C C    . GLN B 2 90  ? 1.644   21.193 4.489   1.000 35.174  ? 90  GLN LLL C    1 
ATOM   4558 O O    . GLN B 2 90  ? 0.986   20.222 4.071   1.000 36.159  ? 90  GLN LLL O    1 
ATOM   4559 C CB   . GLN B 2 90  ? 1.151   21.345 6.927   1.000 33.416  ? 90  GLN LLL CB   1 
ATOM   4560 C CG   . GLN B 2 90  ? 2.569   21.174 7.487   1.000 33.143  ? 90  GLN LLL CG   1 
ATOM   4561 C CD   . GLN B 2 90  ? 2.781   19.879 8.243   1.000 33.503  ? 90  GLN LLL CD   1 
ATOM   4562 O OE1  . GLN B 2 90  ? 1.919   19.000 8.242   1.000 34.882  ? 90  GLN LLL OE1  1 
ATOM   4563 N NE2  . GLN B 2 90  ? 3.937   19.728 8.891   1.000 33.253  ? 90  GLN LLL NE2  1 
ATOM   4564 H H    . GLN B 2 90  ? -0.729  21.687 4.666   1.000 33.893  ? 90  GLN LLL H    1 
ATOM   4565 H HA   . GLN B 2 90  ? 1.525   22.916 5.621   1.000 33.968  ? 90  GLN LLL HA   1 
ATOM   4566 H HB2  . GLN B 2 90  ? 0.617   21.843 7.578   1.000 33.008  ? 90  GLN LLL HB2  1 
ATOM   4567 H HB3  . GLN B 2 90  ? 0.742   20.460 6.829   1.000 33.285  ? 90  GLN LLL HB3  1 
ATOM   4568 H HG2  . GLN B 2 90  ? 3.211   21.215 6.748   1.000 33.762  ? 90  GLN LLL HG2  1 
ATOM   4569 H HG3  . GLN B 2 90  ? 2.764   21.924 8.088   1.000 33.233  ? 90  GLN LLL HG3  1 
ATOM   4570 H HE21 . GLN B 2 90  ? 4.114   18.987 9.350   0.000 30.000  ? 90  GLN LLL HE21 1 
ATOM   4571 H HE22 . GLN B 2 90  ? 4.561   20.372 8.874   0.000 30.000  ? 90  GLN LLL HE22 1 
ATOM   4572 N N    . GLN B 2 91  ? 2.852   21.535 4.049   1.000 35.770  ? 91  GLN LLL N    1 
ATOM   4573 C CA   . GLN B 2 91  ? 3.637   20.642 3.174   1.000 36.213  ? 91  GLN LLL CA   1 
ATOM   4574 C C    . GLN B 2 91  ? 4.535   19.854 4.131   1.000 36.717  ? 91  GLN LLL C    1 
ATOM   4575 O O    . GLN B 2 91  ? 5.083   20.456 5.050   1.000 36.677  ? 91  GLN LLL O    1 
ATOM   4576 C CB   . GLN B 2 91  ? 4.382   21.447 2.096   1.000 36.260  ? 91  GLN LLL CB   1 
ATOM   4577 C CG   . GLN B 2 91  ? 5.493   22.345 2.624   1.000 36.667  ? 91  GLN LLL CG   1 
ATOM   4578 C CD   . GLN B 2 91  ? 6.811   21.639 2.816   1.000 36.294  ? 91  GLN LLL CD   1 
ATOM   4579 O OE1  . GLN B 2 91  ? 7.013   20.516 2.356   1.000 37.805  ? 91  GLN LLL OE1  1 
ATOM   4580 N NE2  . GLN B 2 91  ? 7.726   22.298 3.505   1.000 35.477  ? 91  GLN LLL NE2  1 
ATOM   4581 H H    . GLN B 2 91  ? 3.264   22.313 4.274   1.000 35.809  ? 91  GLN LLL H    1 
ATOM   4582 H HA   . GLN B 2 91  ? 3.020   20.018 2.733   1.000 36.284  ? 91  GLN LLL HA   1 
ATOM   4583 H HB2  . GLN B 2 91  ? 4.760   20.817 1.447   1.000 36.908  ? 91  GLN LLL HB2  1 
ATOM   4584 H HB3  . GLN B 2 91  ? 3.728   22.001 1.621   1.000 36.775  ? 91  GLN LLL HB3  1 
ATOM   4585 H HG2  . GLN B 2 91  ? 5.623   23.089 1.998   1.000 37.131  ? 91  GLN LLL HG2  1 
ATOM   4586 H HG3  . GLN B 2 91  ? 5.214   22.728 3.482   1.000 35.976  ? 91  GLN LLL HG3  1 
ATOM   4587 H HE21 . GLN B 2 91  ? 8.504   21.939 3.645   0.000 30.000  ? 91  GLN LLL HE21 1 
ATOM   4588 H HE22 . GLN B 2 91  ? 7.527   23.106 3.808   0.000 30.000  ? 91  GLN LLL HE22 1 
ATOM   4589 N N    . TYR B 2 92  ? 4.681   18.558 3.906   1.000 37.298  ? 92  TYR LLL N    1 
ATOM   4590 C CA   . TYR B 2 92  ? 5.384   17.637 4.817   1.000 38.292  ? 92  TYR LLL CA   1 
ATOM   4591 C C    . TYR B 2 92  ? 6.442   16.850 4.032   1.000 40.738  ? 92  TYR LLL C    1 
ATOM   4592 O O    . TYR B 2 92  ? 6.786   15.736 4.479   1.000 40.248  ? 92  TYR LLL O    1 
ATOM   4593 C CB   . TYR B 2 92  ? 4.368   16.755 5.556   1.000 37.315  ? 92  TYR LLL CB   1 
ATOM   4594 C CG   . TYR B 2 92  ? 3.469   15.882 4.715   1.000 36.734  ? 92  TYR LLL CG   1 
ATOM   4595 C CD1  . TYR B 2 92  ? 2.223   16.327 4.284   1.000 36.208  ? 92  TYR LLL CD1  1 
ATOM   4596 C CD2  . TYR B 2 92  ? 3.803   14.566 4.455   1.000 36.502  ? 92  TYR LLL CD2  1 
ATOM   4597 C CE1  . TYR B 2 92  ? 1.362   15.507 3.570   1.000 36.124  ? 92  TYR LLL CE1  1 
ATOM   4598 C CE2  . TYR B 2 92  ? 2.970   13.737 3.725   1.000 36.981  ? 92  TYR LLL CE2  1 
ATOM   4599 C CZ   . TYR B 2 92  ? 1.755   14.213 3.260   1.000 39.127  ? 92  TYR LLL CZ   1 
ATOM   4600 O OH   . TYR B 2 92  ? 0.924   13.380 2.570   1.000 40.917  ? 92  TYR LLL OH   1 
ATOM   4601 H H    . TYR B 2 92  ? 4.355   18.139 3.166   1.000 37.729  ? 92  TYR LLL H    1 
ATOM   4602 H HA   . TYR B 2 92  ? 5.860   18.180 5.493   1.000 38.205  ? 92  TYR LLL HA   1 
ATOM   4603 H HB2  . TYR B 2 92  ? 4.863   16.179 6.175   1.000 37.210  ? 92  TYR LLL HB2  1 
ATOM   4604 H HB3  . TYR B 2 92  ? 3.801   17.343 6.098   1.000 36.904  ? 92  TYR LLL HB3  1 
ATOM   4605 H HD1  . TYR B 2 92  ? 1.959   17.212 4.477   1.000 36.116  ? 92  TYR LLL HD1  1 
ATOM   4606 H HD2  . TYR B 2 92  ? 4.636   14.235 4.749   1.000 36.790  ? 92  TYR LLL HD2  1 
ATOM   4607 H HE1  . TYR B 2 92  ? 0.537   15.840 3.257   1.000 37.018  ? 92  TYR LLL HE1  1 
ATOM   4608 H HE2  . TYR B 2 92  ? 3.233   12.852 3.534   1.000 37.710  ? 92  TYR LLL HE2  1 
ATOM   4609 H HH   . TYR B 2 92  ? 0.728   13.728 1.811   0.000 30.000  ? 92  TYR LLL HH   1 
ATOM   4610 N N    . VAL B 2 93  ? 6.970   17.432 2.945   1.000 42.097  ? 93  VAL LLL N    1 
ATOM   4611 C CA   . VAL B 2 93  ? 8.019   16.792 2.091   1.000 42.674  ? 93  VAL LLL CA   1 
ATOM   4612 C C    . VAL B 2 93  ? 9.342   17.543 2.250   1.000 42.897  ? 93  VAL LLL C    1 
ATOM   4613 O O    . VAL B 2 93  ? 10.361  16.897 2.240   1.000 43.555  ? 93  VAL LLL O    1 
ATOM   4614 C CB   . VAL B 2 93  ? 7.619   16.710 0.606   1.000 44.881  ? 93  VAL LLL CB   1 
ATOM   4615 C CG1  . VAL B 2 93  ? 7.327   18.086 -0.002  1.000 46.000  ? 93  VAL LLL CG1  1 
ATOM   4616 C CG2  . VAL B 2 93  ? 8.693   16.006 -0.221  1.000 47.424  ? 93  VAL LLL CG2  1 
ATOM   4617 H H    . VAL B 2 93  ? 6.722   18.259 2.663   1.000 42.015  ? 93  VAL LLL H    1 
ATOM   4618 H HA   . VAL B 2 93  ? 8.153   15.883 2.413   1.000 42.778  ? 93  VAL LLL HA   1 
ATOM   4619 H HB   . VAL B 2 93  ? 6.797   16.172 0.552   1.000 44.713  ? 93  VAL LLL HB   1 
ATOM   4620 H HG11 . VAL B 2 93  ? 6.619   18.523 0.501   1.000 45.280  ? 93  VAL LLL HG11 1 
ATOM   4621 H HG12 . VAL B 2 93  ? 7.044   17.977 -0.926  1.000 46.294  ? 93  VAL LLL HG12 1 
ATOM   4622 H HG13 . VAL B 2 93  ? 8.130   18.633 0.025   1.000 46.172  ? 93  VAL LLL HG13 1 
ATOM   4623 H HG21 . VAL B 2 93  ? 9.380   16.645 -0.476  1.000 47.404  ? 93  VAL LLL HG21 1 
ATOM   4624 H HG22 . VAL B 2 93  ? 8.290   15.627 -1.021  1.000 47.196  ? 93  VAL LLL HG22 1 
ATOM   4625 H HG23 . VAL B 2 93  ? 9.094   15.293 0.307   1.000 46.663  ? 93  VAL LLL HG23 1 
ATOM   4626 N N    . ASN B 2 94  ? 9.330   18.870 2.361   1.000 43.903  ? 94  ASN LLL N    1 
ATOM   4627 C CA   . ASN B 2 94  ? 10.564  19.701 2.322   1.000 44.555  ? 94  ASN LLL CA   1 
ATOM   4628 C C    . ASN B 2 94  ? 10.810  20.244 3.741   1.000 45.550  ? 94  ASN LLL C    1 
ATOM   4629 O O    . ASN B 2 94  ? 9.858   20.731 4.374   1.000 41.770  ? 94  ASN LLL O    1 
ATOM   4630 C CB   . ASN B 2 94  ? 10.402  20.753 1.221   1.000 47.002  ? 94  ASN LLL CB   1 
ATOM   4631 C CG   . ASN B 2 94  ? 11.595  21.653 1.000   1.000 50.520  ? 94  ASN LLL CG   1 
ATOM   4632 O OD1  . ASN B 2 94  ? 11.889  22.504 1.835   1.000 53.256  ? 94  ASN LLL OD1  1 
ATOM   4633 N ND2  . ASN B 2 94  ? 12.233  21.544 -0.161  1.000 50.958  ? 94  ASN LLL ND2  1 
ATOM   4634 H H    . ASN B 2 94  ? 8.566   19.352 2.461   1.000 43.285  ? 94  ASN LLL H    1 
ATOM   4635 H HA   . ASN B 2 94  ? 11.323  19.123 2.072   1.000 45.627  ? 94  ASN LLL HA   1 
ATOM   4636 H HB2  . ASN B 2 94  ? 10.200  20.291 0.382   1.000 47.398  ? 94  ASN LLL HB2  1 
ATOM   4637 H HB3  . ASN B 2 94  ? 9.629   21.312 1.443   1.000 46.714  ? 94  ASN LLL HB3  1 
ATOM   4638 H HD21 . ASN B 2 94  ? 12.938  22.092 -0.315  0.000 30.000  ? 94  ASN LLL HD21 1 
ATOM   4639 H HD22 . ASN B 2 94  ? 11.974  20.991 -0.765  0.000 30.000  ? 94  ASN LLL HD22 1 
ATOM   4640 N N    . THR B 2 95  ? 12.037  20.131 4.252   1.000 46.303  ? 95  THR LLL N    1 
ATOM   4641 C CA   . THR B 2 95  ? 12.421  20.654 5.581   1.000 45.806  ? 95  THR LLL CA   1 
ATOM   4642 C C    . THR B 2 95  ? 12.677  22.147 5.443   1.000 45.552  ? 95  THR LLL C    1 
ATOM   4643 O O    . THR B 2 95  ? 13.450  22.526 4.584   1.000 50.714  ? 95  THR LLL O    1 
ATOM   4644 C CB   . THR B 2 95  ? 13.633  19.889 6.122   1.000 47.918  ? 95  THR LLL CB   1 
ATOM   4645 O OG1  . THR B 2 95  ? 13.162  18.575 6.437   1.000 48.860  ? 95  THR LLL OG1  1 
ATOM   4646 C CG2  . THR B 2 95  ? 14.232  20.560 7.338   1.000 47.669  ? 95  THR LLL CG2  1 
ATOM   4647 H H    . THR B 2 95  ? 12.727  19.727 3.816   1.000 46.752  ? 95  THR LLL H    1 
ATOM   4648 H HA   . THR B 2 95  ? 11.665  20.513 6.191   1.000 45.166  ? 95  THR LLL HA   1 
ATOM   4649 H HB   . THR B 2 95  ? 14.316  19.831 5.413   1.000 48.587  ? 95  THR LLL HB   1 
ATOM   4650 H HG1  . THR B 2 95  ? 13.751  18.097 6.719   0.000 30.000  ? 95  THR LLL HG1  1 
ATOM   4651 H HG21 . THR B 2 95  ? 14.781  21.314 7.058   1.000 48.637  ? 95  THR LLL HG21 1 
ATOM   4652 H HG22 . THR B 2 95  ? 14.783  19.925 7.825   1.000 48.123  ? 95  THR LLL HG22 1 
ATOM   4653 H HG23 . THR B 2 95  ? 13.518  20.879 7.920   1.000 47.180  ? 95  THR LLL HG23 1 
ATOM   4654 N N    . PRO B 2 96  ? 12.068  23.057 6.238   1.000 43.030  ? 96  PRO LLL N    1 
ATOM   4655 C CA   . PRO B 2 96  ? 11.128  22.705 7.310   1.000 42.388  ? 96  PRO LLL CA   1 
ATOM   4656 C C    . PRO B 2 96  ? 9.683   22.513 6.813   1.000 40.727  ? 96  PRO LLL C    1 
ATOM   4657 O O    . PRO B 2 96  ? 9.272   23.188 5.870   1.000 38.006  ? 96  PRO LLL O    1 
ATOM   4658 C CB   . PRO B 2 96  ? 11.241  23.931 8.222   1.000 42.619  ? 96  PRO LLL CB   1 
ATOM   4659 C CG   . PRO B 2 96  ? 11.357  25.068 7.215   1.000 43.374  ? 96  PRO LLL CG   1 
ATOM   4660 C CD   . PRO B 2 96  ? 12.284  24.509 6.152   1.000 43.732  ? 96  PRO LLL CD   1 
ATOM   4661 H HA   . PRO B 2 96  ? 11.445  21.900 7.791   1.000 42.055  ? 96  PRO LLL HA   1 
ATOM   4662 H HB2  . PRO B 2 96  ? 10.443  24.033 8.784   1.000 41.870  ? 96  PRO LLL HB2  1 
ATOM   4663 H HB3  . PRO B 2 96  ? 12.035  23.879 8.792   1.000 43.083  ? 96  PRO LLL HB3  1 
ATOM   4664 H HG2  . PRO B 2 96  ? 10.485  25.296 6.836   1.000 42.785  ? 96  PRO LLL HG2  1 
ATOM   4665 H HG3  . PRO B 2 96  ? 11.743  25.866 7.631   1.000 43.756  ? 96  PRO LLL HG3  1 
ATOM   4666 H HD2  . PRO B 2 96  ? 12.049  24.845 5.267   1.000 44.205  ? 96  PRO LLL HD2  1 
ATOM   4667 H HD3  . PRO B 2 96  ? 13.214  24.735 6.341   1.000 44.719  ? 96  PRO LLL HD3  1 
ATOM   4668 N N    . GLU B 2 97  ? 8.971   21.567 7.427   1.000 40.298  ? 97  GLU LLL N    1 
ATOM   4669 C CA   . GLU B 2 97  ? 7.619   21.109 6.998   1.000 40.811  ? 97  GLU LLL CA   1 
ATOM   4670 C C    . GLU B 2 97  ? 6.571   22.171 7.374   1.000 40.466  ? 97  GLU LLL C    1 
ATOM   4671 O O    . GLU B 2 97  ? 5.780   21.922 8.304   1.000 40.918  ? 97  GLU LLL O    1 
ATOM   4672 C CB   . GLU B 2 97  ? 7.356   19.742 7.637   1.000 41.867  ? 97  GLU LLL CB   1 
ATOM   4673 C CG   . GLU B 2 97  ? 8.436   18.732 7.281   1.000 44.593  ? 97  GLU LLL CG   1 
ATOM   4674 C CD   . GLU B 2 97  ? 8.103   17.246 7.397   1.000 45.816  ? 97  GLU LLL CD   1 
ATOM   4675 O OE1  . GLU B 2 97  ? 6.924   16.904 7.639   1.000 43.492  ? 97  GLU LLL OE1  1 
ATOM   4676 O OE2  . GLU B 2 97  ? 9.029   16.428 7.188   1.000 47.844  ? 97  GLU LLL OE2  1 
ATOM   4677 H H    . GLU B 2 97  ? 9.275   21.146 8.172   1.000 40.425  ? 97  GLU LLL H    1 
ATOM   4678 H HA   . GLU B 2 97  ? 7.624   21.005 6.019   1.000 41.202  ? 97  GLU LLL HA   1 
ATOM   4679 H HB2  . GLU B 2 97  ? 7.319   19.846 8.610   1.000 41.754  ? 97  GLU LLL HB2  1 
ATOM   4680 H HB3  . GLU B 2 97  ? 6.487   19.411 7.331   1.000 41.669  ? 97  GLU LLL HB3  1 
ATOM   4681 H HG2  . GLU B 2 97  ? 8.719   18.901 6.357   1.000 44.785  ? 97  GLU LLL HG2  1 
ATOM   4682 H HG3  . GLU B 2 97  ? 9.215   18.905 7.852   1.000 44.674  ? 97  GLU LLL HG3  1 
ATOM   4683 N N    . THR B 2 98  ? 6.507   23.254 6.602   1.000 37.459  ? 98  THR LLL N    1 
ATOM   4684 C CA   . THR B 2 98  ? 5.794   24.515 6.893   1.000 38.032  ? 98  THR LLL CA   1 
ATOM   4685 C C    . THR B 2 98  ? 4.270   24.378 6.802   1.000 36.816  ? 98  THR LLL C    1 
ATOM   4686 O O    . THR B 2 98  ? 3.736   23.678 5.917   1.000 36.764  ? 98  THR LLL O    1 
ATOM   4687 C CB   . THR B 2 98  ? 6.341   25.605 5.964   1.000 39.940  ? 98  THR LLL CB   1 
ATOM   4688 O OG1  . THR B 2 98  ? 6.487   25.016 4.666   1.000 40.002  ? 98  THR LLL OG1  1 
ATOM   4689 C CG2  . THR B 2 98  ? 7.694   26.117 6.422   1.000 41.503  ? 98  THR LLL CG2  1 
ATOM   4690 H H    . THR B 2 98  ? 6.925   23.286 5.795   1.000 38.957  ? 98  THR LLL H    1 
ATOM   4691 H HA   . THR B 2 98  ? 6.019   24.766 7.816   1.000 37.783  ? 98  THR LLL HA   1 
ATOM   4692 H HB   . THR B 2 98  ? 5.697   26.352 5.923   1.000 39.791  ? 98  THR LLL HB   1 
ATOM   4693 H HG1  . THR B 2 98  ? 6.808   25.577 4.118   0.000 30.000  ? 98  THR LLL HG1  1 
ATOM   4694 H HG21 . THR B 2 98  ? 7.660   26.331 7.371   1.000 40.904  ? 98  THR LLL HG21 1 
ATOM   4695 H HG22 . THR B 2 98  ? 7.925   26.917 5.919   1.000 41.987  ? 98  THR LLL HG22 1 
ATOM   4696 H HG23 . THR B 2 98  ? 8.368   25.433 6.268   1.000 41.474  ? 98  THR LLL HG23 1 
ATOM   4697 N N    . PHE B 2 99  ? 3.613   25.113 7.684   1.000 35.917  ? 99  PHE LLL N    1 
ATOM   4698 C CA   . PHE B 2 99  ? 2.154   25.328 7.763   1.000 36.493  ? 99  PHE LLL CA   1 
ATOM   4699 C C    . PHE B 2 99  ? 1.838   26.650 7.100   1.000 36.464  ? 99  PHE LLL C    1 
ATOM   4700 O O    . PHE B 2 99  ? 2.665   27.520 7.175   1.000 38.398  ? 99  PHE LLL O    1 
ATOM   4701 C CB   . PHE B 2 99  ? 1.704   25.392 9.229   1.000 36.716  ? 99  PHE LLL CB   1 
ATOM   4702 C CG   . PHE B 2 99  ? 1.737   24.068 9.952   1.000 35.688  ? 99  PHE LLL CG   1 
ATOM   4703 C CD1  . PHE B 2 99  ? 2.882   23.636 10.603  1.000 36.601  ? 99  PHE LLL CD1  1 
ATOM   4704 C CD2  . PHE B 2 99  ? 0.636   23.231 9.956   1.000 35.965  ? 99  PHE LLL CD2  1 
ATOM   4705 C CE1  . PHE B 2 99  ? 2.916   22.419 11.269  1.000 36.360  ? 99  PHE LLL CE1  1 
ATOM   4706 C CE2  . PHE B 2 99  ? 0.660   22.023 10.641  1.000 33.887  ? 99  PHE LLL CE2  1 
ATOM   4707 C CZ   . PHE B 2 99  ? 1.805   21.609 11.281  1.000 35.438  ? 99  PHE LLL CZ   1 
ATOM   4708 H H    . PHE B 2 99  ? 4.048   25.569 8.341   1.000 36.294  ? 99  PHE LLL H    1 
ATOM   4709 H HA   . PHE B 2 99  ? 1.680   24.597 7.295   1.000 36.284  ? 99  PHE LLL HA   1 
ATOM   4710 H HB2  . PHE B 2 99  ? 2.281   26.026 9.704   1.000 36.481  ? 99  PHE LLL HB2  1 
ATOM   4711 H HB3  . PHE B 2 99  ? 0.789   25.743 9.257   1.000 36.187  ? 99  PHE LLL HB3  1 
ATOM   4712 H HD1  . PHE B 2 99  ? 3.648   24.187 10.603  1.000 36.675  ? 99  PHE LLL HD1  1 
ATOM   4713 H HD2  . PHE B 2 99  ? -0.158  23.508 9.526   1.000 35.425  ? 99  PHE LLL HD2  1 
ATOM   4714 H HE1  . PHE B 2 99  ? 3.704   22.147 11.713  1.000 36.356  ? 99  PHE LLL HE1  1 
ATOM   4715 H HE2  . PHE B 2 99  ? -0.102  21.467 10.637  1.000 34.679  ? 99  PHE LLL HE2  1 
ATOM   4716 H HZ   . PHE B 2 99  ? 1.826   20.780 11.732  1.000 35.268  ? 99  PHE LLL HZ   1 
ATOM   4717 N N    . GLY B 2 100 ? 0.652   26.797 6.530   1.000 38.638  ? 100 GLY LLL N    1 
ATOM   4718 C CA   . GLY B 2 100 ? 0.083   28.128 6.226   1.000 39.938  ? 100 GLY LLL CA   1 
ATOM   4719 C C    . GLY B 2 100 ? -0.326  28.849 7.507   1.000 38.552  ? 100 GLY LLL C    1 
ATOM   4720 O O    . GLY B 2 100 ? -0.239  28.236 8.624   1.000 34.954  ? 100 GLY LLL O    1 
ATOM   4721 H H    . GLY B 2 100 ? 0.127   26.090 6.297   1.000 38.173  ? 100 GLY LLL H    1 
ATOM   4722 H HA2  . GLY B 2 100 ? 0.757   28.667 5.744   1.000 40.144  ? 100 GLY LLL HA2  1 
ATOM   4723 H HA3  . GLY B 2 100 ? -0.706  28.018 5.639   1.000 39.717  ? 100 GLY LLL HA3  1 
ATOM   4724 N N    . GLN B 2 101 ? -0.776  30.093 7.367   1.000 39.558  ? 101 GLN LLL N    1 
ATOM   4725 C CA   . GLN B 2 101 ? -1.184  30.947 8.513   1.000 44.653  ? 101 GLN LLL CA   1 
ATOM   4726 C C    . GLN B 2 101 ? -2.635  30.670 8.922   1.000 41.915  ? 101 GLN LLL C    1 
ATOM   4727 O O    . GLN B 2 101 ? -3.060  31.230 9.897   1.000 42.724  ? 101 GLN LLL O    1 
ATOM   4728 C CB   . GLN B 2 101 ? -1.002  32.424 8.163   1.000 48.885  ? 101 GLN LLL CB   1 
ATOM   4729 C CG   . GLN B 2 101 ? 0.449   32.790 7.875   1.000 59.216  ? 101 GLN LLL CG   1 
ATOM   4730 C CD   . GLN B 2 101 ? 1.254   33.052 9.124   1.000 64.336  ? 101 GLN LLL CD   1 
ATOM   4731 O OE1  . GLN B 2 101 ? 1.265   32.250 10.066  1.000 70.436  ? 101 GLN LLL OE1  1 
ATOM   4732 N NE2  . GLN B 2 101 ? 1.914   34.202 9.138   1.000 64.561  ? 101 GLN LLL NE2  1 
ATOM   4733 H H    . GLN B 2 101 ? -0.863  30.496 6.554   1.000 41.269  ? 101 GLN LLL H    1 
ATOM   4734 H HA   . GLN B 2 101 ? -0.601  30.732 9.277   1.000 43.402  ? 101 GLN LLL HA   1 
ATOM   4735 H HB2  . GLN B 2 101 ? -1.545  32.631 7.382   1.000 50.574  ? 101 GLN LLL HB2  1 
ATOM   4736 H HB3  . GLN B 2 101 ? -1.330  32.967 8.911   1.000 49.849  ? 101 GLN LLL HB3  1 
ATOM   4737 H HG2  . GLN B 2 101 ? 0.870   32.061 7.374   1.000 57.931  ? 101 GLN LLL HG2  1 
ATOM   4738 H HG3  . GLN B 2 101 ? 0.470   33.591 7.309   1.000 58.667  ? 101 GLN LLL HG3  1 
ATOM   4739 H HE21 . GLN B 2 101 ? 2.381   34.407 9.826   0.000 30.000  ? 101 GLN LLL HE21 1 
ATOM   4740 H HE22 . GLN B 2 101 ? 1.760   34.791 8.481   0.000 30.000  ? 101 GLN LLL HE22 1 
ATOM   4741 N N    . GLY B 2 102 ? -3.400  29.914 8.158   1.000 40.091  ? 102 GLY LLL N    1 
ATOM   4742 C CA   . GLY B 2 102 ? -4.744  29.523 8.595   1.000 41.362  ? 102 GLY LLL CA   1 
ATOM   4743 C C    . GLY B 2 102 ? -5.826  30.371 7.953   1.000 41.227  ? 102 GLY LLL C    1 
ATOM   4744 O O    . GLY B 2 102 ? -5.619  31.554 7.733   1.000 44.298  ? 102 GLY LLL O    1 
ATOM   4745 H H    . GLY B 2 102 ? -3.148  29.612 7.338   1.000 41.266  ? 102 GLY LLL H    1 
ATOM   4746 H HA2  . GLY B 2 102 ? -4.888  28.575 8.361   1.000 40.711  ? 102 GLY LLL HA2  1 
ATOM   4747 H HA3  . GLY B 2 102 ? -4.804  29.605 9.579   1.000 40.336  ? 102 GLY LLL HA3  1 
ATOM   4748 N N    . THR B 2 103 ? -6.911  29.730 7.591   1.000 39.684  ? 103 THR LLL N    1 
ATOM   4749 C CA   . THR B 2 103 ? -8.188  30.361 7.216   1.000 41.755  ? 103 THR LLL CA   1 
ATOM   4750 C C    . THR B 2 103 ? -9.169  30.071 8.352   1.000 41.430  ? 103 THR LLL C    1 
ATOM   4751 O O    . THR B 2 103 ? -9.318  28.893 8.685   1.000 39.260  ? 103 THR LLL O    1 
ATOM   4752 C CB   . THR B 2 103 ? -8.691  29.826 5.872   1.000 42.019  ? 103 THR LLL CB   1 
ATOM   4753 O OG1  . THR B 2 103 ? -7.733  30.181 4.877   1.000 44.520  ? 103 THR LLL OG1  1 
ATOM   4754 C CG2  . THR B 2 103 ? -10.050 30.382 5.512   1.000 44.052  ? 103 THR LLL CG2  1 
ATOM   4755 H H    . THR B 2 103 ? -6.952  28.821 7.542   1.000 40.291  ? 103 THR LLL H    1 
ATOM   4756 H HA   . THR B 2 103 ? -8.052  31.333 7.146   1.000 41.654  ? 103 THR LLL HA   1 
ATOM   4757 H HB   . THR B 2 103 ? -8.749  28.843 5.928   1.000 42.521  ? 103 THR LLL HB   1 
ATOM   4758 H HG1  . THR B 2 103 ? -7.984  29.922 4.127   0.000 30.000  ? 103 THR LLL HG1  1 
ATOM   4759 H HG21 . THR B 2 103 ? -10.745 29.816 5.895   1.000 43.569  ? 103 THR LLL HG21 1 
ATOM   4760 H HG22 . THR B 2 103 ? -10.148 30.402 4.544   1.000 44.493  ? 103 THR LLL HG22 1 
ATOM   4761 H HG23 . THR B 2 103 ? -10.137 31.285 5.865   1.000 43.667  ? 103 THR LLL HG23 1 
ATOM   4762 N N    . ARG B 2 104 ? -9.783  31.116 8.914   1.000 42.780  ? 104 ARG LLL N    1 
ATOM   4763 C CA   . ARG B 2 104 ? -10.870 31.009 9.918   1.000 45.293  ? 104 ARG LLL CA   1 
ATOM   4764 C C    . ARG B 2 104 ? -12.209 30.954 9.189   1.000 43.377  ? 104 ARG LLL C    1 
ATOM   4765 O O    . ARG B 2 104 ? -12.478 31.839 8.401   1.000 42.736  ? 104 ARG LLL O    1 
ATOM   4766 C CB   . ARG B 2 104 ? -10.860 32.202 10.878  1.000 49.957  ? 104 ARG LLL CB   1 
ATOM   4767 C CG   . ARG B 2 104 ? -11.756 31.986 12.091  1.000 54.483  ? 104 ARG LLL CG   1 
ATOM   4768 C CD   . ARG B 2 104 ? -11.212 32.604 13.368  1.000 55.902  ? 104 ARG LLL CD   1 
ATOM   4769 N NE   . ARG B 2 104 ? -12.372 32.879 14.199  1.000 64.787  ? 104 ARG LLL NE   1 
ATOM   4770 C CZ   . ARG B 2 104 ? -13.240 33.902 14.033  1.000 64.398  ? 104 ARG LLL CZ   1 
ATOM   4771 N NH1  . ARG B 2 104 ? -13.068 34.813 13.081  1.000 63.363  ? 104 ARG LLL NH1  1 
ATOM   4772 N NH2  . ARG B 2 104 ? -14.279 34.002 14.845  1.000 60.468  ? 104 ARG LLL NH2  1 
ATOM   4773 H H    . ARG B 2 104 ? -9.565  31.976 8.707   1.000 43.327  ? 104 ARG LLL H    1 
ATOM   4774 H HA   . ARG B 2 104 ? -10.747 30.178 10.431  1.000 44.656  ? 104 ARG LLL HA   1 
ATOM   4775 H HB2  . ARG B 2 104 ? -9.941  32.355 11.182  1.000 49.398  ? 104 ARG LLL HB2  1 
ATOM   4776 H HB3  . ARG B 2 104 ? -11.159 33.001 10.397  1.000 50.255  ? 104 ARG LLL HB3  1 
ATOM   4777 H HG2  . ARG B 2 104 ? -12.639 32.369 11.904  1.000 54.356  ? 104 ARG LLL HG2  1 
ATOM   4778 H HG3  . ARG B 2 104 ? -11.874 31.023 12.235  1.000 53.633  ? 104 ARG LLL HG3  1 
ATOM   4779 H HD2  . ARG B 2 104 ? -10.608 31.977 13.821  1.000 56.901  ? 104 ARG LLL HD2  1 
ATOM   4780 H HD3  . ARG B 2 104 ? -10.726 33.432 13.170  1.000 57.381  ? 104 ARG LLL HD3  1 
ATOM   4781 H HE   . ARG B 2 104 ? -12.552 32.306 14.832  1.000 62.153  ? 104 ARG LLL HE   1 
ATOM   4782 H HH11 . ARG B 2 104 ? -12.388 34.753 12.529  1.000 63.606  ? 104 ARG LLL HH11 1 
ATOM   4783 H HH12 . ARG B 2 104 ? -13.643 35.473 12.998  1.000 64.052  ? 104 ARG LLL HH12 1 
ATOM   4784 H HH21 . ARG B 2 104 ? -14.400 33.408 15.483  1.000 61.497  ? 104 ARG LLL HH21 1 
ATOM   4785 H HH22 . ARG B 2 104 ? -14.838 34.671 14.751  1.000 61.856  ? 104 ARG LLL HH22 1 
ATOM   4786 N N    . VAL B 2 105 ? -12.999 29.925 9.431   1.000 42.299  ? 105 VAL LLL N    1 
ATOM   4787 C CA   . VAL B 2 105 ? -14.364 29.826 8.855   1.000 44.687  ? 105 VAL LLL CA   1 
ATOM   4788 C C    . VAL B 2 105 ? -15.326 30.085 10.013  1.000 43.315  ? 105 VAL LLL C    1 
ATOM   4789 O O    . VAL B 2 105 ? -15.312 29.274 10.934  1.000 42.590  ? 105 VAL LLL O    1 
ATOM   4790 C CB   . VAL B 2 105 ? -14.576 28.446 8.202   1.000 45.262  ? 105 VAL LLL CB   1 
ATOM   4791 C CG1  . VAL B 2 105 ? -15.993 28.280 7.696   1.000 48.187  ? 105 VAL LLL CG1  1 
ATOM   4792 C CG2  . VAL B 2 105 ? -13.581 28.219 7.076   1.000 45.392  ? 105 VAL LLL CG2  1 
ATOM   4793 H H    . VAL B 2 105 ? -12.761 29.220 9.957   1.000 42.458  ? 105 VAL LLL H    1 
ATOM   4794 H HA   . VAL B 2 105 ? -14.479 30.517 8.183   1.000 44.739  ? 105 VAL LLL HA   1 
ATOM   4795 H HB   . VAL B 2 105 ? -14.416 27.758 8.895   1.000 45.064  ? 105 VAL LLL HB   1 
ATOM   4796 H HG11 . VAL B 2 105 ? -16.553 27.935 8.412   1.000 47.686  ? 105 VAL LLL HG11 1 
ATOM   4797 H HG12 . VAL B 2 105 ? -16.003 27.656 6.950   1.000 48.212  ? 105 VAL LLL HG12 1 
ATOM   4798 H HG13 . VAL B 2 105 ? -16.337 29.141 7.402   1.000 48.127  ? 105 VAL LLL HG13 1 
ATOM   4799 H HG21 . VAL B 2 105 ? -13.668 28.929 6.417   1.000 45.915  ? 105 VAL LLL HG21 1 
ATOM   4800 H HG22 . VAL B 2 105 ? -13.757 27.361 6.653   1.000 45.765  ? 105 VAL LLL HG22 1 
ATOM   4801 H HG23 . VAL B 2 105 ? -12.676 28.221 7.436   1.000 44.608  ? 105 VAL LLL HG23 1 
ATOM   4802 N N    . GLU B 2 106 ? -16.103 31.169 9.956   1.000 45.245  ? 106 GLU LLL N    1 
ATOM   4803 C CA   . GLU B 2 106 ? -16.989 31.645 11.058  1.000 48.423  ? 106 GLU LLL CA   1 
ATOM   4804 C C    . GLU B 2 106 ? -18.433 31.727 10.542  1.000 50.012  ? 106 GLU LLL C    1 
ATOM   4805 O O    . GLU B 2 106 ? -18.613 31.820 9.315   1.000 50.612  ? 106 GLU LLL O    1 
ATOM   4806 C CB   . GLU B 2 106 ? -16.431 32.956 11.625  1.000 49.631  ? 106 GLU LLL CB   1 
ATOM   4807 C CG   . GLU B 2 106 ? -16.489 34.143 10.685  1.000 51.547  ? 106 GLU LLL CG   1 
ATOM   4808 C CD   . GLU B 2 106 ? -17.344 35.301 11.188  1.000 53.967  ? 106 GLU LLL CD   1 
ATOM   4809 O OE1  . GLU B 2 106 ? -17.915 35.998 10.350  1.000 54.969  ? 106 GLU LLL OE1  1 
ATOM   4810 O OE2  . GLU B 2 106 ? -17.433 35.513 12.430  1.000 57.011  ? 106 GLU LLL OE2  1 
ATOM   4811 H H    . GLU B 2 106 ? -16.141 31.695 9.214   1.000 46.173  ? 106 GLU LLL H    1 
ATOM   4812 H HA   . GLU B 2 106 ? -16.965 30.971 11.775  1.000 47.770  ? 106 GLU LLL HA   1 
ATOM   4813 H HB2  . GLU B 2 106 ? -16.927 33.173 12.440  1.000 49.392  ? 106 GLU LLL HB2  1 
ATOM   4814 H HB3  . GLU B 2 106 ? -15.497 32.806 11.880  1.000 48.748  ? 106 GLU LLL HB3  1 
ATOM   4815 H HG2  . GLU B 2 106 ? -15.577 34.475 10.536  1.000 51.301  ? 106 GLU LLL HG2  1 
ATOM   4816 H HG3  . GLU B 2 106 ? -16.841 33.851 9.818   1.000 52.426  ? 106 GLU LLL HG3  1 
ATOM   4817 N N    . ILE B 2 107 ? -19.422 31.578 11.425  1.000 50.586  ? 107 ILE LLL N    1 
ATOM   4818 C CA   . ILE B 2 107 ? -20.864 31.603 11.025  1.000 51.692  ? 107 ILE LLL CA   1 
ATOM   4819 C C    . ILE B 2 107 ? -21.235 33.039 10.677  1.000 50.505  ? 107 ILE LLL C    1 
ATOM   4820 O O    . ILE B 2 107 ? -21.050 33.955 11.536  1.000 48.962  ? 107 ILE LLL O    1 
ATOM   4821 C CB   . ILE B 2 107 ? -21.824 31.038 12.089  1.000 55.553  ? 107 ILE LLL CB   1 
ATOM   4822 C CG1  . ILE B 2 107 ? -21.473 29.608 12.486  1.000 58.825  ? 107 ILE LLL CG1  1 
ATOM   4823 C CG2  . ILE B 2 107 ? -23.265 31.139 11.612  1.000 58.749  ? 107 ILE LLL CG2  1 
ATOM   4824 C CD1  . ILE B 2 107 ? -20.642 29.496 13.756  1.000 59.686  ? 107 ILE LLL CD1  1 
ATOM   4825 H H    . ILE B 2 107 ? -19.282 31.469 12.316  1.000 49.895  ? 107 ILE LLL H    1 
ATOM   4826 H HA   . ILE B 2 107 ? -20.959 31.060 10.225  1.000 52.667  ? 107 ILE LLL HA   1 
ATOM   4827 H HB   . ILE B 2 107 ? -21.737 31.602 12.896  1.000 55.256  ? 107 ILE LLL HB   1 
ATOM   4828 H HG12 . ILE B 2 107 ? -22.302 29.100 12.611  1.000 59.338  ? 107 ILE LLL HG12 1 
ATOM   4829 H HG13 . ILE B 2 107 ? -20.976 29.193 11.750  1.000 58.333  ? 107 ILE LLL HG13 1 
ATOM   4830 H HG21 . ILE B 2 107 ? -23.577 32.055 11.706  1.000 58.459  ? 107 ILE LLL HG21 1 
ATOM   4831 H HG22 . ILE B 2 107 ? -23.829 30.553 12.146  1.000 58.741  ? 107 ILE LLL HG22 1 
ATOM   4832 H HG23 . ILE B 2 107 ? -23.318 30.874 10.677  1.000 58.921  ? 107 ILE LLL HG23 1 
ATOM   4833 H HD11 . ILE B 2 107 ? -19.714 29.710 13.559  1.000 58.153  ? 107 ILE LLL HD11 1 
ATOM   4834 H HD12 . ILE B 2 107 ? -20.698 28.588 14.101  1.000 59.124  ? 107 ILE LLL HD12 1 
ATOM   4835 H HD13 . ILE B 2 107 ? -20.982 30.116 14.425  1.000 58.935  ? 107 ILE LLL HD13 1 
ATOM   4836 N N    . LYS B 2 108 ? -21.749 33.210 9.462   1.000 52.009  ? 108 LYS LLL N    1 
ATOM   4837 C CA   . LYS B 2 108 ? -22.426 34.436 8.981   1.000 55.122  ? 108 LYS LLL CA   1 
ATOM   4838 C C    . LYS B 2 108 ? -23.816 34.533 9.636   1.000 53.420  ? 108 LYS LLL C    1 
ATOM   4839 O O    . LYS B 2 108 ? -24.602 33.597 9.508   1.000 58.505  ? 108 LYS LLL O    1 
ATOM   4840 C CB   . LYS B 2 108 ? -22.487 34.404 7.452   1.000 57.248  ? 108 LYS LLL CB   1 
ATOM   4841 C CG   . LYS B 2 108 ? -23.143 35.613 6.808   1.000 62.106  ? 108 LYS LLL CG   1 
ATOM   4842 C CD   . LYS B 2 108 ? -22.433 36.920 7.102   1.000 64.570  ? 108 LYS LLL CD   1 
ATOM   4843 C CE   . LYS B 2 108 ? -23.299 38.140 6.840   1.000 68.575  ? 108 LYS LLL CE   1 
ATOM   4844 N NZ   . LYS B 2 108 ? -23.068 38.693 5.488   1.000 70.820  ? 108 LYS LLL NZ   1 
ATOM   4845 H H    . LYS B 2 108 ? -21.710 32.557 8.831   1.000 52.863  ? 108 LYS LLL H    1 
ATOM   4846 H HA   . LYS B 2 108 ? -21.892 35.210 9.261   1.000 53.705  ? 108 LYS LLL HA   1 
ATOM   4847 H HB2  . LYS B 2 108 ? -21.573 34.327 7.108   1.000 57.200  ? 108 LYS LLL HB2  1 
ATOM   4848 H HB3  . LYS B 2 108 ? -22.977 33.602 7.177   1.000 58.509  ? 108 LYS LLL HB3  1 
ATOM   4849 H HG2  . LYS B 2 108 ? -23.166 35.477 5.836   1.000 62.908  ? 108 LYS LLL HG2  1 
ATOM   4850 H HG3  . LYS B 2 108 ? -24.070 35.674 7.122   1.000 62.706  ? 108 LYS LLL HG3  1 
ATOM   4851 H HD2  . LYS B 2 108 ? -22.152 36.931 8.041   1.000 63.238  ? 108 LYS LLL HD2  1 
ATOM   4852 H HD3  . LYS B 2 108 ? -21.627 36.978 6.546   1.000 64.154  ? 108 LYS LLL HD3  1 
ATOM   4853 H HE2  . LYS B 2 108 ? -24.241 37.900 6.927   1.000 68.966  ? 108 LYS LLL HE2  1 
ATOM   4854 H HE3  . LYS B 2 108 ? -23.101 38.829 7.502   1.000 67.511  ? 108 LYS LLL HE3  1 
ATOM   4855 H HZ1  . LYS B 2 108 ? -22.229 39.033 5.435   1.000 69.889  ? 108 LYS LLL HZ1  1 
ATOM   4856 H HZ2  . LYS B 2 108 ? -23.667 39.352 5.319   1.000 71.518  ? 108 LYS LLL HZ2  1 
ATOM   4857 H HZ3  . LYS B 2 108 ? -23.163 38.039 4.868   1.000 71.088  ? 108 LYS LLL HZ3  1 
ATOM   4858 N N    . ARG B 2 109 ? -24.105 35.624 10.336  1.000 51.354  ? 109 ARG LLL N    1 
ATOM   4859 C CA   . ARG B 2 109 ? -25.447 35.892 10.948  1.000 51.613  ? 109 ARG LLL CA   1 
ATOM   4860 C C    . ARG B 2 109 ? -25.767 37.367 10.706  1.000 50.462  ? 109 ARG LLL C    1 
ATOM   4861 O O    . ARG B 2 109 ? -24.909 38.049 10.138  1.000 53.078  ? 109 ARG LLL O    1 
ATOM   4862 C CB   . ARG B 2 109 ? -25.477 35.471 12.429  1.000 50.317  ? 109 ARG LLL CB   1 
ATOM   4863 C CG   . ARG B 2 109 ? -24.410 36.102 13.326  1.000 47.293  ? 109 ARG LLL CG   1 
ATOM   4864 C CD   . ARG B 2 109 ? -24.928 36.392 14.731  1.000 45.992  ? 109 ARG LLL CD   1 
ATOM   4865 N NE   . ARG B 2 109 ? -26.012 37.355 14.669  1.000 46.688  ? 109 ARG LLL NE   1 
ATOM   4866 C CZ   . ARG B 2 109 ? -27.009 37.463 15.538  1.000 46.836  ? 109 ARG LLL CZ   1 
ATOM   4867 N NH1  . ARG B 2 109 ? -27.134 36.663 16.586  1.000 46.987  ? 109 ARG LLL NH1  1 
ATOM   4868 N NH2  . ARG B 2 109 ? -27.922 38.363 15.311  1.000 46.613  ? 109 ARG LLL NH2  1 
ATOM   4869 H H    . ARG B 2 109 ? -23.493 36.281 10.492  1.000 50.902  ? 109 ARG LLL H    1 
ATOM   4870 H HA   . ARG B 2 109 ? -26.114 35.354 10.463  1.000 52.484  ? 109 ARG LLL HA   1 
ATOM   4871 H HB2  . ARG B 2 109 ? -26.361 35.693 12.791  1.000 50.856  ? 109 ARG LLL HB2  1 
ATOM   4872 H HB3  . ARG B 2 109 ? -25.379 34.497 12.471  1.000 49.974  ? 109 ARG LLL HB3  1 
ATOM   4873 H HG2  . ARG B 2 109 ? -23.641 35.496 13.389  1.000 46.506  ? 109 ARG LLL HG2  1 
ATOM   4874 H HG3  . ARG B 2 109 ? -24.102 36.939 12.922  1.000 47.285  ? 109 ARG LLL HG3  1 
ATOM   4875 H HD2  . ARG B 2 109 ? -25.247 35.560 15.136  1.000 46.291  ? 109 ARG LLL HD2  1 
ATOM   4876 H HD3  . ARG B 2 109 ? -24.201 36.748 15.285  1.000 45.101  ? 109 ARG LLL HD3  1 
ATOM   4877 H HE   . ARG B 2 109 ? -26.014 37.907 13.994  1.000 47.032  ? 109 ARG LLL HE   1 
ATOM   4878 H HH11 . ARG B 2 109 ? -26.532 36.045 16.746  1.000 46.107  ? 109 ARG LLL HH11 1 
ATOM   4879 H HH12 . ARG B 2 109 ? -27.812 36.766 17.137  1.000 47.369  ? 109 ARG LLL HH12 1 
ATOM   4880 H HH21 . ARG B 2 109 ? -27.852 38.896 14.613  1.000 47.470  ? 109 ARG LLL HH21 1 
ATOM   4881 H HH22 . ARG B 2 109 ? -28.595 38.457 15.872  1.000 47.660  ? 109 ARG LLL HH22 1 
ATOM   4882 N N    . THR B 2 110 ? -26.964 37.839 11.052  1.000 51.179  ? 110 THR LLL N    1 
ATOM   4883 C CA   . THR B 2 110 ? -27.347 39.250 10.856  1.000 50.059  ? 110 THR LLL CA   1 
ATOM   4884 C C    . THR B 2 110 ? -26.542 40.076 11.854  1.000 47.980  ? 110 THR LLL C    1 
ATOM   4885 O O    . THR B 2 110 ? -26.070 39.501 12.873  1.000 47.784  ? 110 THR LLL O    1 
ATOM   4886 C CB   . THR B 2 110 ? -28.845 39.502 11.047  1.000 52.688  ? 110 THR LLL CB   1 
ATOM   4887 O OG1  . THR B 2 110 ? -29.089 39.085 12.384  1.000 52.893  ? 110 THR LLL OG1  1 
ATOM   4888 C CG2  . THR B 2 110 ? -29.744 38.748 10.095  1.000 53.287  ? 110 THR LLL CG2  1 
ATOM   4889 H H    . THR B 2 110 ? -27.622 37.336 11.431  1.000 51.298  ? 110 THR LLL H    1 
ATOM   4890 H HA   . THR B 2 110 ? -27.093 39.517 9.943   1.000 51.001  ? 110 THR LLL HA   1 
ATOM   4891 H HB   . THR B 2 110 ? -29.019 40.470 10.968  1.000 52.855  ? 110 THR LLL HB   1 
ATOM   4892 H HG1  . THR B 2 110 ? -29.892 39.199 12.560  0.000 30.000  ? 110 THR LLL HG1  1 
ATOM   4893 H HG21 . THR B 2 110 ? -29.515 38.980 9.177   1.000 54.214  ? 110 THR LLL HG21 1 
ATOM   4894 H HG22 . THR B 2 110 ? -30.673 38.987 10.266  1.000 54.820  ? 110 THR LLL HG22 1 
ATOM   4895 H HG23 . THR B 2 110 ? -29.627 37.790 10.225  1.000 53.354  ? 110 THR LLL HG23 1 
ATOM   4896 N N    . VAL B 2 111 ? -26.419 41.372 11.575  1.000 47.336  ? 111 VAL LLL N    1 
ATOM   4897 C CA   . VAL B 2 111 ? -25.661 42.361 12.393  1.000 46.507  ? 111 VAL LLL CA   1 
ATOM   4898 C C    . VAL B 2 111 ? -26.313 42.462 13.769  1.000 45.129  ? 111 VAL LLL C    1 
ATOM   4899 O O    . VAL B 2 111 ? -27.514 42.604 13.821  1.000 44.277  ? 111 VAL LLL O    1 
ATOM   4900 C CB   . VAL B 2 111 ? -25.647 43.720 11.679  1.000 47.604  ? 111 VAL LLL CB   1 
ATOM   4901 C CG1  . VAL B 2 111 ? -24.997 44.800 12.544  1.000 47.434  ? 111 VAL LLL CG1  1 
ATOM   4902 C CG2  . VAL B 2 111 ? -24.949 43.592 10.332  1.000 48.767  ? 111 VAL LLL CG2  1 
ATOM   4903 H H    . VAL B 2 111 ? -26.828 41.744 10.852  1.000 48.789  ? 111 VAL LLL H    1 
ATOM   4904 H HA   . VAL B 2 111 ? -24.747 42.046 12.496  1.000 45.201  ? 111 VAL LLL HA   1 
ATOM   4905 H HB   . VAL B 2 111 ? -26.586 43.983 11.515  1.000 49.033  ? 111 VAL LLL HB   1 
ATOM   4906 H HG11 . VAL B 2 111 ? -25.652 45.155 13.169  1.000 47.444  ? 111 VAL LLL HG11 1 
ATOM   4907 H HG12 . VAL B 2 111 ? -24.671 45.520 11.976  1.000 47.672  ? 111 VAL LLL HG12 1 
ATOM   4908 H HG13 . VAL B 2 111 ? -24.252 44.417 13.038  1.000 46.003  ? 111 VAL LLL HG13 1 
ATOM   4909 H HG21 . VAL B 2 111 ? -24.075 43.184 10.457  1.000 47.472  ? 111 VAL LLL HG21 1 
ATOM   4910 H HG22 . VAL B 2 111 ? -24.840 44.475 9.937   1.000 49.173  ? 111 VAL LLL HG22 1 
ATOM   4911 H HG23 . VAL B 2 111 ? -25.482 43.038 9.737   1.000 49.438  ? 111 VAL LLL HG23 1 
ATOM   4912 N N    . ALA B 2 112 ? -25.550 42.415 14.851  1.000 41.997  ? 112 ALA LLL N    1 
ATOM   4913 C CA   . ALA B 2 112 ? -26.127 42.645 16.195  1.000 42.019  ? 112 ALA LLL CA   1 
ATOM   4914 C C    . ALA B 2 112 ? -25.256 43.664 16.920  1.000 40.213  ? 112 ALA LLL C    1 
ATOM   4915 O O    . ALA B 2 112 ? -24.021 43.466 16.965  1.000 37.346  ? 112 ALA LLL O    1 
ATOM   4916 C CB   . ALA B 2 112 ? -26.227 41.351 16.959  1.000 42.560  ? 112 ALA LLL CB   1 
ATOM   4917 H H    . ALA B 2 112 ? -24.656 42.241 14.859  1.000 41.540  ? 112 ALA LLL H    1 
ATOM   4918 H HA   . ALA B 2 112 ? -27.031 43.023 16.092  1.000 43.061  ? 112 ALA LLL HA   1 
ATOM   4919 H HB1  . ALA B 2 112 ? -26.613 41.520 17.835  1.000 42.228  ? 112 ALA LLL HB1  1 
ATOM   4920 H HB2  . ALA B 2 112 ? -26.792 40.729 16.471  1.000 42.992  ? 112 ALA LLL HB2  1 
ATOM   4921 H HB3  . ALA B 2 112 ? -25.340 40.967 17.065  1.000 41.254  ? 112 ALA LLL HB3  1 
ATOM   4922 N N    . ALA B 2 113 ? -25.873 44.745 17.391  1.000 39.953  ? 113 ALA LLL N    1 
ATOM   4923 C CA   . ALA B 2 113 ? -25.176 45.833 18.101  1.000 40.136  ? 113 ALA LLL CA   1 
ATOM   4924 C C    . ALA B 2 113 ? -24.676 45.284 19.427  1.000 39.081  ? 113 ALA LLL C    1 
ATOM   4925 O O    . ALA B 2 113 ? -25.371 44.530 20.077  1.000 38.852  ? 113 ALA LLL O    1 
ATOM   4926 C CB   . ALA B 2 113 ? -26.111 46.980 18.328  1.000 40.434  ? 113 ALA LLL CB   1 
ATOM   4927 H H    . ALA B 2 113 ? -26.769 44.892 17.312  1.000 41.281  ? 113 ALA LLL H    1 
ATOM   4928 H HA   . ALA B 2 113 ? -24.411 46.132 17.559  1.000 39.619  ? 113 ALA LLL HA   1 
ATOM   4929 H HB1  . ALA B 2 113 ? -25.638 47.702 18.775  1.000 40.285  ? 113 ALA LLL HB1  1 
ATOM   4930 H HB2  . ALA B 2 113 ? -26.450 47.297 17.474  1.000 41.556  ? 113 ALA LLL HB2  1 
ATOM   4931 H HB3  . ALA B 2 113 ? -26.854 46.689 18.882  1.000 40.957  ? 113 ALA LLL HB3  1 
ATOM   4932 N N    . PRO B 2 114 ? -23.502 45.688 19.930  1.000 40.360  ? 114 PRO LLL N    1 
ATOM   4933 C CA   . PRO B 2 114 ? -23.121 45.306 21.290  1.000 39.673  ? 114 PRO LLL CA   1 
ATOM   4934 C C    . PRO B 2 114 ? -23.994 45.989 22.344  1.000 40.580  ? 114 PRO LLL C    1 
ATOM   4935 O O    . PRO B 2 114 ? -24.322 47.123 22.174  1.000 39.042  ? 114 PRO LLL O    1 
ATOM   4936 C CB   . PRO B 2 114 ? -21.672 45.793 21.383  1.000 39.807  ? 114 PRO LLL CB   1 
ATOM   4937 C CG   . PRO B 2 114 ? -21.622 46.947 20.421  1.000 40.889  ? 114 PRO LLL CG   1 
ATOM   4938 C CD   . PRO B 2 114 ? -22.494 46.513 19.256  1.000 41.078  ? 114 PRO LLL CD   1 
ATOM   4939 H HA   . PRO B 2 114 ? -23.156 44.322 21.391  1.000 39.642  ? 114 PRO LLL HA   1 
ATOM   4940 H HB2  . PRO B 2 114 ? -21.455 46.087 22.294  1.000 39.386  ? 114 PRO LLL HB2  1 
ATOM   4941 H HB3  . PRO B 2 114 ? -21.044 45.088 21.118  1.000 39.138  ? 114 PRO LLL HB3  1 
ATOM   4942 H HG2  . PRO B 2 114 ? -21.975 47.761 20.835  1.000 41.023  ? 114 PRO LLL HG2  1 
ATOM   4943 H HG3  . PRO B 2 114 ? -20.704 47.114 20.125  1.000 40.305  ? 114 PRO LLL HG3  1 
ATOM   4944 H HD2  . PRO B 2 114 ? -22.899 47.280 18.812  1.000 41.782  ? 114 PRO LLL HD2  1 
ATOM   4945 H HD3  . PRO B 2 114 ? -21.987 45.992 18.606  1.000 40.778  ? 114 PRO LLL HD3  1 
ATOM   4946 N N    . SER B 2 115 ? -24.273 45.301 23.442  1.000 41.803  ? 115 SER LLL N    1 
ATOM   4947 C CA   . SER B 2 115 ? -24.746 45.934 24.697  1.000 42.480  ? 115 SER LLL CA   1 
ATOM   4948 C C    . SER B 2 115 ? -23.498 46.274 25.512  1.000 41.000  ? 115 SER LLL C    1 
ATOM   4949 O O    . SER B 2 115 ? -22.645 45.396 25.728  1.000 38.403  ? 115 SER LLL O    1 
ATOM   4950 C CB   . SER B 2 115 ? -25.717 45.066 25.444  1.000 42.834  ? 115 SER LLL CB   1 
ATOM   4951 O OG   . SER B 2 115 ? -26.668 44.563 24.523  1.000 46.705  ? 115 SER LLL OG   1 
ATOM   4952 H H    . SER B 2 115 ? -24.196 44.395 23.509  1.000 41.314  ? 115 SER LLL H    1 
ATOM   4953 H HA   . SER B 2 115 ? -25.206 46.784 24.460  1.000 42.828  ? 115 SER LLL HA   1 
ATOM   4954 H HB2  . SER B 2 115 ? -25.238 44.321 25.873  1.000 43.062  ? 115 SER LLL HB2  1 
ATOM   4955 H HB3  . SER B 2 115 ? -26.170 45.592 26.140  1.000 43.949  ? 115 SER LLL HB3  1 
ATOM   4956 H HG   . SER B 2 115 ? -27.199 44.072 24.946  0.000 30.000  ? 115 SER LLL HG   1 
ATOM   4957 N N    . VAL B 2 116 ? -23.378 47.537 25.876  1.000 39.926  ? 116 VAL LLL N    1 
ATOM   4958 C CA   . VAL B 2 116 ? -22.168 48.102 26.515  1.000 40.029  ? 116 VAL LLL CA   1 
ATOM   4959 C C    . VAL B 2 116 ? -22.454 48.323 28.001  1.000 38.731  ? 116 VAL LLL C    1 
ATOM   4960 O O    . VAL B 2 116 ? -23.514 48.829 28.338  1.000 41.681  ? 116 VAL LLL O    1 
ATOM   4961 C CB   . VAL B 2 116 ? -21.754 49.392 25.790  1.000 41.398  ? 116 VAL LLL CB   1 
ATOM   4962 C CG1  . VAL B 2 116 ? -20.404 49.892 26.303  1.000 41.395  ? 116 VAL LLL CG1  1 
ATOM   4963 C CG2  . VAL B 2 116 ? -21.734 49.182 24.276  1.000 40.440  ? 116 VAL LLL CG2  1 
ATOM   4964 H H    . VAL B 2 116 ? -24.043 48.148 25.759  1.000 40.997  ? 116 VAL LLL H    1 
ATOM   4965 H HA   . VAL B 2 116 ? -21.448 47.459 26.430  1.000 39.232  ? 116 VAL LLL HA   1 
ATOM   4966 H HB   . VAL B 2 116 ? -22.433 50.082 25.994  1.000 41.648  ? 116 VAL LLL HB   1 
ATOM   4967 H HG11 . VAL B 2 116 ? -20.501 50.218 27.214  1.000 41.398  ? 116 VAL LLL HG11 1 
ATOM   4968 H HG12 . VAL B 2 116 ? -20.086 50.614 25.733  1.000 41.516  ? 116 VAL LLL HG12 1 
ATOM   4969 H HG13 . VAL B 2 116 ? -19.761 49.162 26.288  1.000 40.712  ? 116 VAL LLL HG13 1 
ATOM   4970 H HG21 . VAL B 2 116 ? -21.338 48.317 24.073  1.000 40.272  ? 116 VAL LLL HG21 1 
ATOM   4971 H HG22 . VAL B 2 116 ? -21.209 49.885 23.857  1.000 40.910  ? 116 VAL LLL HG22 1 
ATOM   4972 H HG23 . VAL B 2 116 ? -22.644 49.210 23.932  1.000 41.348  ? 116 VAL LLL HG23 1 
ATOM   4973 N N    . PHE B 2 117 ? -21.527 47.924 28.853  1.000 38.398  ? 117 PHE LLL N    1 
ATOM   4974 C CA   . PHE B 2 117 ? -21.554 48.106 30.324  1.000 38.817  ? 117 PHE LLL CA   1 
ATOM   4975 C C    . PHE B 2 117 ? -20.172 48.562 30.770  1.000 39.850  ? 117 PHE LLL C    1 
ATOM   4976 O O    . PHE B 2 117 ? -19.127 48.046 30.230  1.000 38.966  ? 117 PHE LLL O    1 
ATOM   4977 C CB   . PHE B 2 117 ? -21.861 46.793 31.043  1.000 41.291  ? 117 PHE LLL CB   1 
ATOM   4978 C CG   . PHE B 2 117 ? -23.166 46.157 30.665  1.000 41.431  ? 117 PHE LLL CG   1 
ATOM   4979 C CD1  . PHE B 2 117 ? -23.228 45.256 29.614  1.000 41.860  ? 117 PHE LLL CD1  1 
ATOM   4980 C CD2  . PHE B 2 117 ? -24.318 46.436 31.381  1.000 44.825  ? 117 PHE LLL CD2  1 
ATOM   4981 C CE1  . PHE B 2 117 ? -24.420 44.637 29.278  1.000 42.720  ? 117 PHE LLL CE1  1 
ATOM   4982 C CE2  . PHE B 2 117 ? -25.513 45.806 31.060  1.000 44.142  ? 117 PHE LLL CE2  1 
ATOM   4983 C CZ   . PHE B 2 117 ? -25.554 44.908 30.013  1.000 45.061  ? 117 PHE LLL CZ   1 
ATOM   4984 H H    . PHE B 2 117 ? -20.776 47.485 28.582  1.000 37.913  ? 117 PHE LLL H    1 
ATOM   4985 H HA   . PHE B 2 117 ? -22.227 48.791 30.568  1.000 40.028  ? 117 PHE LLL HA   1 
ATOM   4986 H HB2  . PHE B 2 117 ? -21.137 46.161 30.852  1.000 40.106  ? 117 PHE LLL HB2  1 
ATOM   4987 H HB3  . PHE B 2 117 ? -21.861 46.963 32.008  1.000 40.884  ? 117 PHE LLL HB3  1 
ATOM   4988 H HD1  . PHE B 2 117 ? -22.445 45.058 29.126  1.000 41.228  ? 117 PHE LLL HD1  1 
ATOM   4989 H HD2  . PHE B 2 117 ? -24.282 47.033 32.111  1.000 44.076  ? 117 PHE LLL HD2  1 
ATOM   4990 H HE1  . PHE B 2 117 ? -24.452 44.025 28.560  1.000 42.895  ? 117 PHE LLL HE1  1 
ATOM   4991 H HE2  . PHE B 2 117 ? -26.296 46.001 31.549  1.000 45.377  ? 117 PHE LLL HE2  1 
ATOM   4992 H HZ   . PHE B 2 117 ? -26.372 44.502 29.776  1.000 45.033  ? 117 PHE LLL HZ   1 
ATOM   4993 N N    . ILE B 2 118 ? -20.135 49.485 31.730  1.000 39.573  ? 118 ILE LLL N    1 
ATOM   4994 C CA   . ILE B 2 118 ? -18.851 50.008 32.265  1.000 39.529  ? 118 ILE LLL CA   1 
ATOM   4995 C C    . ILE B 2 118 ? -18.814 49.706 33.749  1.000 38.838  ? 118 ILE LLL C    1 
ATOM   4996 O O    . ILE B 2 118 ? -19.858 49.833 34.379  1.000 38.295  ? 118 ILE LLL O    1 
ATOM   4997 C CB   . ILE B 2 118 ? -18.672 51.504 32.001  1.000 39.886  ? 118 ILE LLL CB   1 
ATOM   4998 C CG1  . ILE B 2 118 ? -17.244 51.942 32.338  1.000 40.062  ? 118 ILE LLL CG1  1 
ATOM   4999 C CG2  . ILE B 2 118 ? -19.717 52.328 32.742  1.000 40.761  ? 118 ILE LLL CG2  1 
ATOM   5000 C CD1  . ILE B 2 118 ? -16.887 53.280 31.697  1.000 41.424  ? 118 ILE LLL CD1  1 
ATOM   5001 H H    . ILE B 2 118 ? -20.880 49.833 32.122  1.000 40.205  ? 118 ILE LLL H    1 
ATOM   5002 H HA   . ILE B 2 118 ? -18.121 49.532 31.835  1.000 38.861  ? 118 ILE LLL HA   1 
ATOM   5003 H HB   . ILE B 2 118 ? -18.805 51.651 31.032  1.000 39.857  ? 118 ILE LLL HB   1 
ATOM   5004 H HG12 . ILE B 2 118 ? -17.153 52.019 33.312  1.000 40.524  ? 118 ILE LLL HG12 1 
ATOM   5005 H HG13 . ILE B 2 118 ? -16.615 51.258 32.025  1.000 39.789  ? 118 ILE LLL HG13 1 
ATOM   5006 H HG21 . ILE B 2 118 ? -20.578 51.878 32.708  1.000 40.774  ? 118 ILE LLL HG21 1 
ATOM   5007 H HG22 . ILE B 2 118 ? -19.797 53.203 32.324  1.000 41.023  ? 118 ILE LLL HG22 1 
ATOM   5008 H HG23 . ILE B 2 118 ? -19.449 52.440 33.670  1.000 40.947  ? 118 ILE LLL HG23 1 
ATOM   5009 H HD11 . ILE B 2 118 ? -16.955 53.205 30.729  1.000 40.959  ? 118 ILE LLL HD11 1 
ATOM   5010 H HD12 . ILE B 2 118 ? -15.976 53.524 31.938  1.000 41.295  ? 118 ILE LLL HD12 1 
ATOM   5011 H HD13 . ILE B 2 118 ? -17.499 53.967 32.012  1.000 41.619  ? 118 ILE LLL HD13 1 
ATOM   5012 N N    . PHE B 2 119 ? -17.659 49.283 34.238  1.000 38.234  ? 119 PHE LLL N    1 
ATOM   5013 C CA   . PHE B 2 119 ? -17.428 48.883 35.646  1.000 41.113  ? 119 PHE LLL CA   1 
ATOM   5014 C C    . PHE B 2 119 ? -16.354 49.784 36.241  1.000 41.685  ? 119 PHE LLL C    1 
ATOM   5015 O O    . PHE B 2 119 ? -15.230 49.790 35.762  1.000 39.515  ? 119 PHE LLL O    1 
ATOM   5016 C CB   . PHE B 2 119 ? -17.029 47.416 35.736  1.000 42.527  ? 119 PHE LLL CB   1 
ATOM   5017 C CG   . PHE B 2 119 ? -18.096 46.485 35.229  1.000 42.827  ? 119 PHE LLL CG   1 
ATOM   5018 C CD1  . PHE B 2 119 ? -19.230 46.244 35.986  1.000 43.791  ? 119 PHE LLL CD1  1 
ATOM   5019 C CD2  . PHE B 2 119 ? -18.000 45.911 33.973  1.000 43.373  ? 119 PHE LLL CD2  1 
ATOM   5020 C CE1  . PHE B 2 119 ? -20.218 45.390 35.533  1.000 43.536  ? 119 PHE LLL CE1  1 
ATOM   5021 C CE2  . PHE B 2 119 ? -18.984 45.048 33.523  1.000 44.086  ? 119 PHE LLL CE2  1 
ATOM   5022 C CZ   . PHE B 2 119 ? -20.099 44.806 34.296  1.000 44.465  ? 119 PHE LLL CZ   1 
ATOM   5023 H H    . PHE B 2 119 ? -16.906 49.207 33.732  1.000 38.553  ? 119 PHE LLL H    1 
ATOM   5024 H HA   . PHE B 2 119 ? -18.266 49.009 36.153  1.000 41.406  ? 119 PHE LLL HA   1 
ATOM   5025 H HB2  . PHE B 2 119 ? -16.210 47.281 35.215  1.000 41.818  ? 119 PHE LLL HB2  1 
ATOM   5026 H HB3  . PHE B 2 119 ? -16.832 47.200 36.671  1.000 42.683  ? 119 PHE LLL HB3  1 
ATOM   5027 H HD1  . PHE B 2 119 ? -19.309 46.639 36.839  1.000 44.284  ? 119 PHE LLL HD1  1 
ATOM   5028 H HD2  . PHE B 2 119 ? -17.233 46.068 33.445  1.000 42.800  ? 119 PHE LLL HD2  1 
ATOM   5029 H HE1  . PHE B 2 119 ? -20.980 45.222 36.065  1.000 44.613  ? 119 PHE LLL HE1  1 
ATOM   5030 H HE2  . PHE B 2 119 ? -18.905 44.650 32.670  1.000 43.293  ? 119 PHE LLL HE2  1 
ATOM   5031 H HZ   . PHE B 2 119 ? -20.776 44.228 33.980  1.000 44.228  ? 119 PHE LLL HZ   1 
ATOM   5032 N N    . PRO B 2 120 ? -16.695 50.574 37.282  1.000 42.011  ? 120 PRO LLL N    1 
ATOM   5033 C CA   . PRO B 2 120 ? -15.687 51.322 38.033  1.000 43.688  ? 120 PRO LLL CA   1 
ATOM   5034 C C    . PRO B 2 120 ? -14.750 50.365 38.758  1.000 43.696  ? 120 PRO LLL C    1 
ATOM   5035 O O    . PRO B 2 120 ? -15.058 49.199 38.966  1.000 42.727  ? 120 PRO LLL O    1 
ATOM   5036 C CB   . PRO B 2 120 ? -16.486 52.140 39.065  1.000 44.610  ? 120 PRO LLL CB   1 
ATOM   5037 C CG   . PRO B 2 120 ? -17.945 52.060 38.599  1.000 45.122  ? 120 PRO LLL CG   1 
ATOM   5038 C CD   . PRO B 2 120 ? -18.064 50.781 37.778  1.000 42.789  ? 120 PRO LLL CD   1 
ATOM   5039 H HA   . PRO B 2 120 ? -15.186 51.923 37.427  1.000 43.365  ? 120 PRO LLL HA   1 
ATOM   5040 H HB2  . PRO B 2 120 ? -16.389 51.760 39.964  1.000 45.255  ? 120 PRO LLL HB2  1 
ATOM   5041 H HB3  . PRO B 2 120 ? -16.179 53.072 39.084  1.000 45.141  ? 120 PRO LLL HB3  1 
ATOM   5042 H HG2  . PRO B 2 120 ? -18.549 52.030 39.368  1.000 45.106  ? 120 PRO LLL HG2  1 
ATOM   5043 H HG3  . PRO B 2 120 ? -18.174 52.839 38.053  1.000 44.553  ? 120 PRO LLL HG3  1 
ATOM   5044 H HD2  . PRO B 2 120 ? -18.353 50.033 38.331  1.000 43.277  ? 120 PRO LLL HD2  1 
ATOM   5045 H HD3  . PRO B 2 120 ? -18.692 50.897 37.042  1.000 42.788  ? 120 PRO LLL HD3  1 
ATOM   5046 N N    . PRO B 2 121 ? -13.570 50.805 39.209  1.000 45.263  ? 121 PRO LLL N    1 
ATOM   5047 C CA   . PRO B 2 121 ? -12.748 49.951 40.049  1.000 45.900  ? 121 PRO LLL CA   1 
ATOM   5048 C C    . PRO B 2 121 ? -13.459 49.631 41.368  1.000 46.499  ? 121 PRO LLL C    1 
ATOM   5049 O O    . PRO B 2 121 ? -14.227 50.411 41.772  1.000 44.868  ? 121 PRO LLL O    1 
ATOM   5050 C CB   . PRO B 2 121 ? -11.507 50.807 40.321  1.000 47.889  ? 121 PRO LLL CB   1 
ATOM   5051 C CG   . PRO B 2 121 ? -11.947 52.221 40.047  1.000 48.686  ? 121 PRO LLL CG   1 
ATOM   5052 C CD   . PRO B 2 121 ? -12.970 52.113 38.943  1.000 47.481  ? 121 PRO LLL CD   1 
ATOM   5053 H HA   . PRO B 2 121 ? -12.500 49.124 39.566  1.000 45.478  ? 121 PRO LLL HA   1 
ATOM   5054 H HB2  . PRO B 2 121 ? -11.210 50.709 41.251  1.000 48.541  ? 121 PRO LLL HB2  1 
ATOM   5055 H HB3  . PRO B 2 121 ? -10.770 50.551 39.726  1.000 47.414  ? 121 PRO LLL HB3  1 
ATOM   5056 H HG2  . PRO B 2 121 ? -12.343 52.622 40.848  1.000 49.160  ? 121 PRO LLL HG2  1 
ATOM   5057 H HG3  . PRO B 2 121 ? -11.188 52.771 39.762  1.000 48.784  ? 121 PRO LLL HG3  1 
ATOM   5058 H HD2  . PRO B 2 121 ? -13.633 52.826 39.002  1.000 47.260  ? 121 PRO LLL HD2  1 
ATOM   5059 H HD3  . PRO B 2 121 ? -12.549 52.137 38.065  1.000 46.607  ? 121 PRO LLL HD3  1 
ATOM   5060 N N    . SER B 2 122 ? -13.162 48.487 41.982  1.000 47.802  ? 122 SER LLL N    1 
ATOM   5061 C CA   . SER B 2 122 ? -13.643 48.110 43.338  1.000 48.817  ? 122 SER LLL CA   1 
ATOM   5062 C C    . SER B 2 122 ? -12.874 48.881 44.419  1.000 50.965  ? 122 SER LLL C    1 
ATOM   5063 O O    . SER B 2 122 ? -11.695 49.277 44.179  1.000 49.323  ? 122 SER LLL O    1 
ATOM   5064 C CB   . SER B 2 122 ? -13.472 46.645 43.530  1.000 49.758  ? 122 SER LLL CB   1 
ATOM   5065 O OG   . SER B 2 122 ? -12.091 46.321 43.515  1.000 50.186  ? 122 SER LLL OG   1 
ATOM   5066 H H    . SER B 2 122 ? -12.632 47.846 41.611  1.000 47.179  ? 122 SER LLL H    1 
ATOM   5067 H HA   . SER B 2 122 ? -14.609 48.336 43.408  1.000 49.146  ? 122 SER LLL HA   1 
ATOM   5068 H HB2  . SER B 2 122 ? -13.867 46.375 44.389  1.000 50.498  ? 122 SER LLL HB2  1 
ATOM   5069 H HB3  . SER B 2 122 ? -13.935 46.160 42.809  1.000 48.816  ? 122 SER LLL HB3  1 
ATOM   5070 H HG   . SER B 2 122 ? -12.035 45.481 43.614  0.000 30.000  ? 122 SER LLL HG   1 
ATOM   5071 N N    . ASP B 2 123 ? -13.483 49.040 45.596  1.000 53.431  ? 123 ASP LLL N    1 
ATOM   5072 C CA   . ASP B 2 123 ? -12.776 49.625 46.752  1.000 57.526  ? 123 ASP LLL CA   1 
ATOM   5073 C C    . ASP B 2 123 ? -11.638 48.689 47.153  1.000 59.017  ? 123 ASP LLL C    1 
ATOM   5074 O O    . ASP B 2 123 ? -10.599 49.198 47.557  1.000 58.440  ? 123 ASP LLL O    1 
ATOM   5075 C CB   . ASP B 2 123 ? -13.732 50.014 47.871  1.000 61.321  ? 123 ASP LLL CB   1 
ATOM   5076 C CG   . ASP B 2 123 ? -14.230 51.416 47.596  1.000 64.083  ? 123 ASP LLL CG   1 
ATOM   5077 O OD1  . ASP B 2 123 ? -15.147 51.548 46.784  1.000 63.520  ? 123 ASP LLL OD1  1 
ATOM   5078 O OD2  . ASP B 2 123 ? -13.604 52.363 48.088  1.000 71.081  ? 123 ASP LLL OD2  1 
ATOM   5079 H H    . ASP B 2 123 ? -14.348 48.802 45.751  1.000 53.726  ? 123 ASP LLL H    1 
ATOM   5080 H HA   . ASP B 2 123 ? -12.361 50.463 46.438  1.000 57.550  ? 123 ASP LLL HA   1 
ATOM   5081 H HB2  . ASP B 2 123 ? -14.491 49.396 47.905  1.000 61.172  ? 123 ASP LLL HB2  1 
ATOM   5082 H HB3  . ASP B 2 123 ? -13.269 49.995 48.734  1.000 62.503  ? 123 ASP LLL HB3  1 
ATOM   5083 N N    . GLU B 2 124 ? -11.810 47.381 46.982  1.000 60.529  ? 124 GLU LLL N    1 
ATOM   5084 C CA   . GLU B 2 124 ? -10.762 46.391 47.320  1.000 62.661  ? 124 GLU LLL CA   1 
ATOM   5085 C C    . GLU B 2 124 ? -9.508  46.757 46.510  1.000 59.367  ? 124 GLU LLL C    1 
ATOM   5086 O O    . GLU B 2 124 ? -8.444  46.920 47.100  1.000 61.302  ? 124 GLU LLL O    1 
ATOM   5087 C CB   . GLU B 2 124 ? -11.281 44.983 47.034  1.000 66.582  ? 124 GLU LLL CB   1 
ATOM   5088 C CG   . GLU B 2 124 ? -10.831 43.961 48.045  1.000 72.376  ? 124 GLU LLL CG   1 
ATOM   5089 C CD   . GLU B 2 124 ? -10.614 42.564 47.490  1.000 75.360  ? 124 GLU LLL CD   1 
ATOM   5090 O OE1  . GLU B 2 124 ? -11.339 42.164 46.542  1.000 79.097  ? 124 GLU LLL OE1  1 
ATOM   5091 O OE2  . GLU B 2 124 ? -9.701  41.883 47.997  1.000 81.220  ? 124 GLU LLL OE2  1 
ATOM   5092 H H    . GLU B 2 124 ? -12.579 47.021 46.655  1.000 59.817  ? 124 GLU LLL H    1 
ATOM   5093 H HA   . GLU B 2 124 ? -10.555 46.470 48.280  1.000 63.982  ? 124 GLU LLL HA   1 
ATOM   5094 H HB2  . GLU B 2 124 ? -12.260 45.003 47.020  1.000 66.169  ? 124 GLU LLL HB2  1 
ATOM   5095 H HB3  . GLU B 2 124 ? -10.973 44.712 46.145  1.000 65.373  ? 124 GLU LLL HB3  1 
ATOM   5096 H HG2  . GLU B 2 124 ? -9.991  44.263 48.451  1.000 72.881  ? 124 GLU LLL HG2  1 
ATOM   5097 H HG3  . GLU B 2 124 ? -11.500 43.907 48.760  1.000 72.940  ? 124 GLU LLL HG3  1 
ATOM   5098 N N    . GLN B 2 125 ? -9.653  46.968 45.203  1.000 55.197  ? 125 GLN LLL N    1 
ATOM   5099 C CA   . GLN B 2 125 ? -8.518  47.344 44.321  1.000 53.583  ? 125 GLN LLL CA   1 
ATOM   5100 C C    . GLN B 2 125 ? -7.971  48.741 44.659  1.000 53.852  ? 125 GLN LLL C    1 
ATOM   5101 O O    . GLN B 2 125 ? -6.753  48.919 44.599  1.000 53.246  ? 125 GLN LLL O    1 
ATOM   5102 C CB   . GLN B 2 125 ? -8.914  47.331 42.848  1.000 48.884  ? 125 GLN LLL CB   1 
ATOM   5103 C CG   . GLN B 2 125 ? -7.693  47.256 41.972  1.000 46.732  ? 125 GLN LLL CG   1 
ATOM   5104 C CD   . GLN B 2 125 ? -7.960  47.367 40.500  1.000 44.850  ? 125 GLN LLL CD   1 
ATOM   5105 O OE1  . GLN B 2 125 ? -9.058  47.692 40.048  1.000 42.381  ? 125 GLN LLL OE1  1 
ATOM   5106 N NE2  . GLN B 2 125 ? -6.914  47.109 39.740  1.000 44.016  ? 125 GLN LLL NE2  1 
ATOM   5107 H H    . GLN B 2 125 ? -10.454 46.894 44.775  1.000 54.726  ? 125 GLN LLL H    1 
ATOM   5108 H HA   . GLN B 2 125 ? -7.797  46.687 44.457  1.000 53.419  ? 125 GLN LLL HA   1 
ATOM   5109 H HB2  . GLN B 2 125 ? -9.488  46.557 42.678  1.000 48.614  ? 125 GLN LLL HB2  1 
ATOM   5110 H HB3  . GLN B 2 125 ? -9.421  48.145 42.643  1.000 48.896  ? 125 GLN LLL HB3  1 
ATOM   5111 H HG2  . GLN B 2 125 ? -7.076  47.971 42.229  1.000 47.804  ? 125 GLN LLL HG2  1 
ATOM   5112 H HG3  . GLN B 2 125 ? -7.239  46.405 42.143  1.000 47.243  ? 125 GLN LLL HG3  1 
ATOM   5113 H HE21 . GLN B 2 125 ? -6.991  47.141 38.869  0.000 30.000  ? 125 GLN LLL HE21 1 
ATOM   5114 H HE22 . GLN B 2 125 ? -6.152  46.887 40.124  0.000 30.000  ? 125 GLN LLL HE22 1 
ATOM   5115 N N    . LEU B 2 126 ? -8.820  49.714 44.945  1.000 54.451  ? 126 LEU LLL N    1 
ATOM   5116 C CA   . LEU B 2 126 ? -8.326  51.089 45.226  1.000 59.336  ? 126 LEU LLL CA   1 
ATOM   5117 C C    . LEU B 2 126 ? -7.477  51.110 46.502  1.000 62.089  ? 126 LEU LLL C    1 
ATOM   5118 O O    . LEU B 2 126 ? -6.538  51.901 46.563  1.000 62.739  ? 126 LEU LLL O    1 
ATOM   5119 C CB   . LEU B 2 126 ? -9.519  52.031 45.328  1.000 58.907  ? 126 LEU LLL CB   1 
ATOM   5120 C CG   . LEU B 2 126 ? -10.118 52.391 43.977  1.000 57.874  ? 126 LEU LLL CG   1 
ATOM   5121 C CD1  . LEU B 2 126 ? -11.378 53.214 44.152  1.000 57.134  ? 126 LEU LLL CD1  1 
ATOM   5122 C CD2  . LEU B 2 126 ? -9.086  53.117 43.119  1.000 58.264  ? 126 LEU LLL CD2  1 
ATOM   5123 H H    . LEU B 2 126 ? -9.723  49.606 44.981  1.000 54.852  ? 126 LEU LLL H    1 
ATOM   5124 H HA   . LEU B 2 126 ? -7.756  51.367 44.474  1.000 58.264  ? 126 LEU LLL HA   1 
ATOM   5125 H HB2  . LEU B 2 126 ? -10.208 51.611 45.880  1.000 59.208  ? 126 LEU LLL HB2  1 
ATOM   5126 H HB3  . LEU B 2 126 ? -9.234  52.853 45.777  1.000 59.994  ? 126 LEU LLL HB3  1 
ATOM   5127 H HG   . LEU B 2 126 ? -10.362 51.550 43.516  1.000 56.864  ? 126 LEU LLL HG   1 
ATOM   5128 H HD11 . LEU B 2 126 ? -12.027 52.708 44.672  1.000 57.433  ? 126 LEU LLL HD11 1 
ATOM   5129 H HD12 . LEU B 2 126 ? -11.754 53.423 43.280  1.000 56.492  ? 126 LEU LLL HD12 1 
ATOM   5130 H HD13 . LEU B 2 126 ? -11.164 54.041 44.619  1.000 58.206  ? 126 LEU LLL HD13 1 
ATOM   5131 H HD21 . LEU B 2 126 ? -8.543  53.693 43.682  1.000 59.210  ? 126 LEU LLL HD21 1 
ATOM   5132 H HD22 . LEU B 2 126 ? -9.542  53.657 42.450  1.000 57.562  ? 126 LEU LLL HD22 1 
ATOM   5133 H HD23 . LEU B 2 126 ? -8.515  52.467 42.674  1.000 57.737  ? 126 LEU LLL HD23 1 
ATOM   5134 N N    . LYS B 2 127 ? -7.770  50.223 47.453  1.000 65.559  ? 127 LYS LLL N    1 
ATOM   5135 C CA   . LYS B 2 127 ? -7.002  50.066 48.717  1.000 68.877  ? 127 LYS LLL CA   1 
ATOM   5136 C C    . LYS B 2 127 ? -5.538  49.754 48.385  1.000 65.671  ? 127 LYS LLL C    1 
ATOM   5137 O O    . LYS B 2 127 ? -4.687  50.158 49.139  1.000 67.035  ? 127 LYS LLL O    1 
ATOM   5138 C CB   . LYS B 2 127 ? -7.617  48.979 49.608  1.000 73.062  ? 127 LYS LLL CB   1 
ATOM   5139 C CG   . LYS B 2 127 ? -8.750  49.451 50.518  1.000 77.207  ? 127 LYS LLL CG   1 
ATOM   5140 C CD   . LYS B 2 127 ? -9.359  48.365 51.411  1.000 80.400  ? 127 LYS LLL CD   1 
ATOM   5141 C CE   . LYS B 2 127 ? -8.416  47.761 52.438  1.000 84.068  ? 127 LYS LLL CE   1 
ATOM   5142 N NZ   . LYS B 2 127 ? -8.436  48.494 53.731  1.000 85.861  ? 127 LYS LLL NZ   1 
ATOM   5143 H H    . LYS B 2 127 ? -8.482  49.660 47.389  1.000 64.569  ? 127 LYS LLL H    1 
ATOM   5144 H HA   . LYS B 2 127 ? -7.034  50.923 49.202  1.000 69.381  ? 127 LYS LLL HA   1 
ATOM   5145 H HB2  . LYS B 2 127 ? -7.957  48.262 49.036  1.000 71.849  ? 127 LYS LLL HB2  1 
ATOM   5146 H HB3  . LYS B 2 127 ? -6.906  48.601 50.166  1.000 74.112  ? 127 LYS LLL HB3  1 
ATOM   5147 H HG2  . LYS B 2 127 ? -8.408  50.171 51.090  1.000 78.017  ? 127 LYS LLL HG2  1 
ATOM   5148 H HG3  . LYS B 2 127 ? -9.459  49.831 49.958  1.000 75.828  ? 127 LYS LLL HG3  1 
ATOM   5149 H HD2  . LYS B 2 127 ? -10.129 48.746 51.884  1.000 80.602  ? 127 LYS LLL HD2  1 
ATOM   5150 H HD3  . LYS B 2 127 ? -9.696  47.643 50.838  1.000 79.195  ? 127 LYS LLL HD3  1 
ATOM   5151 H HE2  . LYS B 2 127 ? -8.668  46.832 52.601  1.000 83.710  ? 127 LYS LLL HE2  1 
ATOM   5152 H HE3  . LYS B 2 127 ? -7.506  47.766 52.089  1.000 83.538  ? 127 LYS LLL HE3  1 
ATOM   5153 H HZ1  . LYS B 2 127 ? -8.226  49.366 53.593  1.000 85.903  ? 127 LYS LLL HZ1  1 
ATOM   5154 H HZ2  . LYS B 2 127 ? -7.831  48.130 54.300  1.000 87.208  ? 127 LYS LLL HZ2  1 
ATOM   5155 H HZ3  . LYS B 2 127 ? -9.262  48.442 54.101  1.000 86.099  ? 127 LYS LLL HZ3  1 
ATOM   5156 N N    . SER B 2 128 ? -5.263  49.092 47.269  1.000 61.392  ? 128 SER LLL N    1 
ATOM   5157 C CA   . SER B 2 128 ? -3.900  48.699 46.837  1.000 62.028  ? 128 SER LLL CA   1 
ATOM   5158 C C    . SER B 2 128 ? -3.269  49.721 45.874  1.000 60.220  ? 128 SER LLL C    1 
ATOM   5159 O O    . SER B 2 128 ? -2.192  49.427 45.340  1.000 64.599  ? 128 SER LLL O    1 
ATOM   5160 C CB   . SER B 2 128 ? -3.963  47.333 46.217  1.000 60.873  ? 128 SER LLL CB   1 
ATOM   5161 O OG   . SER B 2 128 ? -4.800  47.360 45.066  1.000 63.829  ? 128 SER LLL OG   1 
ATOM   5162 H H    . SER B 2 128 ? -5.902  48.811 46.685  1.000 60.889  ? 128 SER LLL H    1 
ATOM   5163 H HA   . SER B 2 128 ? -3.325  48.646 47.648  1.000 63.186  ? 128 SER LLL HA   1 
ATOM   5164 H HB2  . SER B 2 128 ? -3.058  47.043 45.963  1.000 62.260  ? 128 SER LLL HB2  1 
ATOM   5165 H HB3  . SER B 2 128 ? -4.321  46.691 46.872  1.000 62.412  ? 128 SER LLL HB3  1 
ATOM   5166 H HG   . SER B 2 128 ? -4.801  46.575 44.730  0.000 30.000  ? 128 SER LLL HG   1 
ATOM   5167 N N    . GLY B 2 129 ? -3.924  50.843 45.581  1.000 58.205  ? 129 GLY LLL N    1 
ATOM   5168 C CA   . GLY B 2 129 ? -3.320  51.933 44.787  1.000 57.287  ? 129 GLY LLL CA   1 
ATOM   5169 C C    . GLY B 2 129 ? -3.347  51.733 43.272  1.000 54.363  ? 129 GLY LLL C    1 
ATOM   5170 O O    . GLY B 2 129 ? -2.597  52.425 42.588  1.000 51.619  ? 129 GLY LLL O    1 
ATOM   5171 H H    . GLY B 2 129 ? -4.776  51.001 45.851  1.000 58.066  ? 129 GLY LLL H    1 
ATOM   5172 H HA2  . GLY B 2 129 ? -3.791  52.773 45.006  1.000 57.497  ? 129 GLY LLL HA2  1 
ATOM   5173 H HA3  . GLY B 2 129 ? -2.379  52.044 45.075  1.000 58.440  ? 129 GLY LLL HA3  1 
ATOM   5174 N N    . THR B 2 130 ? -4.221  50.902 42.718  1.000 52.753  ? 130 THR LLL N    1 
ATOM   5175 C CA   . THR B 2 130 ? -4.468  50.919 41.257  1.000 51.160  ? 130 THR LLL CA   1 
ATOM   5176 C C    . THR B 2 130 ? -5.972  50.888 41.003  1.000 50.562  ? 130 THR LLL C    1 
ATOM   5177 O O    . THR B 2 130 ? -6.719  50.424 41.879  1.000 50.780  ? 130 THR LLL O    1 
ATOM   5178 C CB   . THR B 2 130 ? -3.750  49.788 40.506  1.000 53.067  ? 130 THR LLL CB   1 
ATOM   5179 O OG1  . THR B 2 130 ? -4.554  48.652 40.765  1.000 55.826  ? 130 THR LLL OG1  1 
ATOM   5180 C CG2  . THR B 2 130 ? -2.312  49.549 40.923  1.000 53.115  ? 130 THR LLL CG2  1 
ATOM   5181 H H    . THR B 2 130 ? -4.713  50.281 43.168  1.000 52.562  ? 130 THR LLL H    1 
ATOM   5182 H HA   . THR B 2 130 ? -4.126  51.774 40.909  1.000 52.141  ? 130 THR LLL HA   1 
ATOM   5183 H HB   . THR B 2 130 ? -3.776  49.988 39.540  1.000 52.191  ? 130 THR LLL HB   1 
ATOM   5184 H HG1  . THR B 2 130 ? -4.256  47.927 40.530  0.000 30.000  ? 130 THR LLL HG1  1 
ATOM   5185 H HG21 . THR B 2 130 ? -1.829  50.395 40.928  1.000 54.352  ? 130 THR LLL HG21 1 
ATOM   5186 H HG22 . THR B 2 130 ? -1.888  48.937 40.295  1.000 53.003  ? 130 THR LLL HG22 1 
ATOM   5187 H HG23 . THR B 2 130 ? -2.293  49.160 41.816  1.000 54.208  ? 130 THR LLL HG23 1 
ATOM   5188 N N    . ALA B 2 131 ? -6.374  51.432 39.858  1.000 48.781  ? 131 ALA LLL N    1 
ATOM   5189 C CA   . ALA B 2 131 ? -7.762  51.526 39.368  1.000 47.544  ? 131 ALA LLL CA   1 
ATOM   5190 C C    . ALA B 2 131 ? -7.834  50.830 38.020  1.000 46.660  ? 131 ALA LLL C    1 
ATOM   5191 O O    . ALA B 2 131 ? -7.239  51.340 37.066  1.000 46.849  ? 131 ALA LLL O    1 
ATOM   5192 C CB   . ALA B 2 131 ? -8.178  52.959 39.226  1.000 49.071  ? 131 ALA LLL CB   1 
ATOM   5193 H H    . ALA B 2 131 ? -5.787  51.804 39.268  1.000 49.051  ? 131 ALA LLL H    1 
ATOM   5194 H HA   . ALA B 2 131 ? -8.364  51.069 40.002  1.000 47.833  ? 131 ALA LLL HA   1 
ATOM   5195 H HB1  . ALA B 2 131 ? -9.032  53.006 38.765  1.000 48.011  ? 131 ALA LLL HB1  1 
ATOM   5196 H HB2  . ALA B 2 131 ? -8.264  53.361 40.107  1.000 49.531  ? 131 ALA LLL HB2  1 
ATOM   5197 H HB3  . ALA B 2 131 ? -7.507  53.443 38.716  1.000 49.006  ? 131 ALA LLL HB3  1 
ATOM   5198 N N    . SER B 2 132 ? -8.527  49.700 37.961  1.000 43.518  ? 132 SER LLL N    1 
ATOM   5199 C CA   . SER B 2 132 ? -8.866  49.058 36.683  1.000 41.090  ? 132 SER LLL CA   1 
ATOM   5200 C C    . SER B 2 132 ? -10.322 49.393 36.405  1.000 40.319  ? 132 SER LLL C    1 
ATOM   5201 O O    . SER B 2 132 ? -11.159 49.157 37.302  1.000 41.144  ? 132 SER LLL O    1 
ATOM   5202 C CB   . SER B 2 132 ? -8.601  47.587 36.729  1.000 40.820  ? 132 SER LLL CB   1 
ATOM   5203 O OG   . SER B 2 132 ? -7.252  47.374 37.095  1.000 43.782  ? 132 SER LLL OG   1 
ATOM   5204 H H    . SER B 2 132 ? -8.849  49.251 38.684  1.000 43.963  ? 132 SER LLL H    1 
ATOM   5205 H HA   . SER B 2 132 ? -8.305  49.459 35.970  1.000 41.259  ? 132 SER LLL HA   1 
ATOM   5206 H HB2  . SER B 2 132 ? -9.197  47.161 37.386  1.000 41.399  ? 132 SER LLL HB2  1 
ATOM   5207 H HB3  . SER B 2 132 ? -8.775  47.190 35.846  1.000 40.526  ? 132 SER LLL HB3  1 
ATOM   5208 H HG   . SER B 2 132 ? -7.085  46.568 37.095  0.000 30.000  ? 132 SER LLL HG   1 
ATOM   5209 N N    . VAL B 2 133 ? -10.577 50.007 35.249  1.000 39.383  ? 133 VAL LLL N    1 
ATOM   5210 C CA   . VAL B 2 133 ? -11.938 50.301 34.734  1.000 38.911  ? 133 VAL LLL CA   1 
ATOM   5211 C C    . VAL B 2 133 ? -12.175 49.337 33.572  1.000 38.308  ? 133 VAL LLL C    1 
ATOM   5212 O O    . VAL B 2 133 ? -11.276 49.211 32.733  1.000 37.027  ? 133 VAL LLL O    1 
ATOM   5213 C CB   . VAL B 2 133 ? -12.085 51.770 34.311  1.000 40.248  ? 133 VAL LLL CB   1 
ATOM   5214 C CG1  . VAL B 2 133 ? -13.545 52.082 34.047  1.000 40.903  ? 133 VAL LLL CG1  1 
ATOM   5215 C CG2  . VAL B 2 133 ? -11.524 52.724 35.360  1.000 42.085  ? 133 VAL LLL CG2  1 
ATOM   5216 H H    . VAL B 2 133 ? -9.916  50.292 34.690  1.000 39.542  ? 133 VAL LLL H    1 
ATOM   5217 H HA   . VAL B 2 133 ? -12.585 50.111 35.436  1.000 39.300  ? 133 VAL LLL HA   1 
ATOM   5218 H HB   . VAL B 2 133 ? -11.581 51.899 33.470  1.000 40.234  ? 133 VAL LLL HB   1 
ATOM   5219 H HG11 . VAL B 2 133 ? -13.859 51.558 33.289  1.000 40.074  ? 133 VAL LLL HG11 1 
ATOM   5220 H HG12 . VAL B 2 133 ? -13.644 53.029 33.847  1.000 41.041  ? 133 VAL LLL HG12 1 
ATOM   5221 H HG13 . VAL B 2 133 ? -14.071 51.861 34.833  1.000 40.793  ? 133 VAL LLL HG13 1 
ATOM   5222 H HG21 . VAL B 2 133 ? -11.905 52.513 36.227  1.000 42.071  ? 133 VAL LLL HG21 1 
ATOM   5223 H HG22 . VAL B 2 133 ? -11.751 53.640 35.121  1.000 42.196  ? 133 VAL LLL HG22 1 
ATOM   5224 H HG23 . VAL B 2 133 ? -10.556 52.632 35.400  1.000 42.118  ? 133 VAL LLL HG23 1 
ATOM   5225 N N    . VAL B 2 134 ? -13.315 48.647 33.567  1.000 37.600  ? 134 VAL LLL N    1 
ATOM   5226 C CA   . VAL B 2 134 ? -13.607 47.597 32.556  1.000 38.917  ? 134 VAL LLL CA   1 
ATOM   5227 C C    . VAL B 2 134 ? -14.812 48.024 31.724  1.000 39.445  ? 134 VAL LLL C    1 
ATOM   5228 O O    . VAL B 2 134 ? -15.822 48.503 32.316  1.000 38.487  ? 134 VAL LLL O    1 
ATOM   5229 C CB   . VAL B 2 134 ? -13.839 46.258 33.261  1.000 39.056  ? 134 VAL LLL CB   1 
ATOM   5230 C CG1  . VAL B 2 134 ? -14.316 45.183 32.304  1.000 40.591  ? 134 VAL LLL CG1  1 
ATOM   5231 C CG2  . VAL B 2 134 ? -12.597 45.834 34.015  1.000 40.454  ? 134 VAL LLL CG2  1 
ATOM   5232 H H    . VAL B 2 134 ? -13.981 48.774 34.175  1.000 38.425  ? 134 VAL LLL H    1 
ATOM   5233 H HA   . VAL B 2 134 ? -12.838 47.509 31.970  1.000 38.448  ? 134 VAL LLL HA   1 
ATOM   5234 H HB   . VAL B 2 134 ? -14.555 46.400 33.927  1.000 39.989  ? 134 VAL LLL HB   1 
ATOM   5235 H HG11 . VAL B 2 134 ? -15.276 45.267 32.172  1.000 39.959  ? 134 VAL LLL HG11 1 
ATOM   5236 H HG12 . VAL B 2 134 ? -14.117 44.305 32.673  1.000 39.867  ? 134 VAL LLL HG12 1 
ATOM   5237 H HG13 . VAL B 2 134 ? -13.861 45.284 31.449  1.000 39.559  ? 134 VAL LLL HG13 1 
ATOM   5238 H HG21 . VAL B 2 134 ? -11.834 45.836 33.411  1.000 39.868  ? 134 VAL LLL HG21 1 
ATOM   5239 H HG22 . VAL B 2 134 ? -12.723 44.938 34.373  1.000 40.091  ? 134 VAL LLL HG22 1 
ATOM   5240 H HG23 . VAL B 2 134 ? -12.433 46.454 34.747  1.000 40.658  ? 134 VAL LLL HG23 1 
ATOM   5241 N N    . CYS B 2 135 ? -14.704 47.854 30.412  1.000 38.494  ? 135 CYS LLL N    1 
ATOM   5242 C CA   . CYS B 2 135 ? -15.804 48.060 29.446  1.000 39.873  ? 135 CYS LLL CA   1 
ATOM   5243 C C    . CYS B 2 135 ? -16.149 46.696 28.826  1.000 38.944  ? 135 CYS LLL C    1 
ATOM   5244 O O    . CYS B 2 135 ? -15.224 45.998 28.319  1.000 36.660  ? 135 CYS LLL O    1 
ATOM   5245 C CB   . CYS B 2 135 ? -15.379 49.072 28.397  1.000 44.088  ? 135 CYS LLL CB   1 
ATOM   5246 S SG   . CYS B 2 135 ? -16.728 49.646 27.331  1.000 50.324  ? 135 CYS LLL SG   1 
ATOM   5247 H H    . CYS B 2 135 ? -13.932 47.594 30.004  1.000 38.709  ? 135 CYS LLL H    1 
ATOM   5248 H HA   . CYS B 2 135 ? -16.588 48.408 29.928  1.000 40.546  ? 135 CYS LLL HA   1 
ATOM   5249 H HB2  . CYS B 2 135 ? -14.992 49.850 28.845  1.000 44.708  ? 135 CYS LLL HB2  1 
ATOM   5250 H HB3  . CYS B 2 135 ? -14.685 48.675 27.833  1.000 44.065  ? 135 CYS LLL HB3  1 
ATOM   5251 N N    . LEU B 2 136 ? -17.414 46.287 28.935  1.000 37.359  ? 136 LEU LLL N    1 
ATOM   5252 C CA   . LEU B 2 136 ? -17.946 45.026 28.343  1.000 38.649  ? 136 LEU LLL CA   1 
ATOM   5253 C C    . LEU B 2 136 ? -18.802 45.379 27.119  1.000 37.114  ? 136 LEU LLL C    1 
ATOM   5254 O O    . LEU B 2 136 ? -19.683 46.232 27.236  1.000 36.654  ? 136 LEU LLL O    1 
ATOM   5255 C CB   . LEU B 2 136 ? -18.738 44.279 29.426  1.000 40.023  ? 136 LEU LLL CB   1 
ATOM   5256 C CG   . LEU B 2 136 ? -19.634 43.133 28.951  1.000 42.134  ? 136 LEU LLL CG   1 
ATOM   5257 C CD1  . LEU B 2 136 ? -18.826 42.044 28.255  1.000 42.625  ? 136 LEU LLL CD1  1 
ATOM   5258 C CD2  . LEU B 2 136 ? -20.408 42.536 30.131  1.000 43.470  ? 136 LEU LLL CD2  1 
ATOM   5259 H H    . LEU B 2 136 ? -18.044 46.769 29.385  1.000 38.527  ? 136 LEU LLL H    1 
ATOM   5260 H HA   . LEU B 2 136 ? -17.187 44.472 28.051  1.000 37.769  ? 136 LEU LLL HA   1 
ATOM   5261 H HB2  . LEU B 2 136 ? -18.100 43.919 30.074  1.000 40.105  ? 136 LEU LLL HB2  1 
ATOM   5262 H HB3  . LEU B 2 136 ? -19.297 44.928 29.897  1.000 40.648  ? 136 LEU LLL HB3  1 
ATOM   5263 H HG   . LEU B 2 136 ? -20.289 43.496 28.305  1.000 42.306  ? 136 LEU LLL HG   1 
ATOM   5264 H HD11 . LEU B 2 136 ? -18.494 42.379 27.404  1.000 42.014  ? 136 LEU LLL HD11 1 
ATOM   5265 H HD12 . LEU B 2 136 ? -19.393 41.269 28.098  1.000 42.473  ? 136 LEU LLL HD12 1 
ATOM   5266 H HD13 . LEU B 2 136 ? -18.075 41.787 28.817  1.000 42.073  ? 136 LEU LLL HD13 1 
ATOM   5267 H HD21 . LEU B 2 136 ? -19.780 42.192 30.790  1.000 43.139  ? 136 LEU LLL HD21 1 
ATOM   5268 H HD22 . LEU B 2 136 ? -20.975 41.811 29.814  1.000 43.462  ? 136 LEU LLL HD22 1 
ATOM   5269 H HD23 . LEU B 2 136 ? -20.961 43.224 30.539  1.000 43.677  ? 136 LEU LLL HD23 1 
ATOM   5270 N N    . LEU B 2 137 ? -18.492 44.796 25.976  1.000 35.407  ? 137 LEU LLL N    1 
ATOM   5271 C CA   . LEU B 2 137 ? -19.317 44.815 24.756  1.000 36.447  ? 137 LEU LLL CA   1 
ATOM   5272 C C    . LEU B 2 137 ? -19.870 43.409 24.595  1.000 38.476  ? 137 LEU LLL C    1 
ATOM   5273 O O    . LEU B 2 137 ? -19.072 42.468 24.306  1.000 36.721  ? 137 LEU LLL O    1 
ATOM   5274 C CB   . LEU B 2 137 ? -18.466 45.172 23.542  1.000 37.614  ? 137 LEU LLL CB   1 
ATOM   5275 C CG   . LEU B 2 137 ? -18.055 46.635 23.439  1.000 38.295  ? 137 LEU LLL CG   1 
ATOM   5276 C CD1  . LEU B 2 137 ? -17.273 47.068 24.668  1.000 39.387  ? 137 LEU LLL CD1  1 
ATOM   5277 C CD2  . LEU B 2 137 ? -17.236 46.841 22.182  1.000 39.036  ? 137 LEU LLL CD2  1 
ATOM   5278 H H    . LEU B 2 137 ? -17.718 44.327 25.872  1.000 35.497  ? 137 LEU LLL H    1 
ATOM   5279 H HA   . LEU B 2 137 ? -20.055 45.457 24.863  1.000 37.456  ? 137 LEU LLL HA   1 
ATOM   5280 H HB2  . LEU B 2 137 ? -17.657 44.624 23.561  1.000 36.883  ? 137 LEU LLL HB2  1 
ATOM   5281 H HB3  . LEU B 2 137 ? -18.965 44.933 22.735  1.000 37.627  ? 137 LEU LLL HB3  1 
ATOM   5282 H HG   . LEU B 2 137 ? -18.873 47.188 23.376  1.000 39.143  ? 137 LEU LLL HG   1 
ATOM   5283 H HD11 . LEU B 2 137 ? -17.891 47.325 25.373  1.000 39.193  ? 137 LEU LLL HD11 1 
ATOM   5284 H HD12 . LEU B 2 137 ? -16.708 47.828 24.443  1.000 39.161  ? 137 LEU LLL HD12 1 
ATOM   5285 H HD13 . LEU B 2 137 ? -16.716 46.333 24.977  1.000 38.505  ? 137 LEU LLL HD13 1 
ATOM   5286 H HD21 . LEU B 2 137 ? -16.437 46.288 22.221  1.000 38.340  ? 137 LEU LLL HD21 1 
ATOM   5287 H HD22 . LEU B 2 137 ? -16.979 47.777 22.110  1.000 39.198  ? 137 LEU LLL HD22 1 
ATOM   5288 H HD23 . LEU B 2 137 ? -17.766 46.591 21.405  1.000 39.080  ? 137 LEU LLL HD23 1 
ATOM   5289 N N    . ASN B 2 138 ? -21.169 43.257 24.802  1.000 38.405  ? 138 ASN LLL N    1 
ATOM   5290 C CA   . ASN B 2 138 ? -21.775 41.923 24.951  1.000 40.368  ? 138 ASN LLL CA   1 
ATOM   5291 C C    . ASN B 2 138 ? -22.611 41.614 23.719  1.000 40.135  ? 138 ASN LLL C    1 
ATOM   5292 O O    . ASN B 2 138 ? -23.527 42.397 23.402  1.000 39.116  ? 138 ASN LLL O    1 
ATOM   5293 C CB   . ASN B 2 138 ? -22.639 41.832 26.204  1.000 43.706  ? 138 ASN LLL CB   1 
ATOM   5294 C CG   . ASN B 2 138 ? -22.623 40.449 26.819  1.000 45.884  ? 138 ASN LLL CG   1 
ATOM   5295 O OD1  . ASN B 2 138 ? -21.616 39.741 26.745  1.000 46.567  ? 138 ASN LLL OD1  1 
ATOM   5296 N ND2  . ASN B 2 138 ? -23.719 40.079 27.455  1.000 46.400  ? 138 ASN LLL ND2  1 
ATOM   5297 H H    . ASN B 2 138 ? -21.755 43.952 24.862  1.000 39.437  ? 138 ASN LLL H    1 
ATOM   5298 H HA   . ASN B 2 138 ? -21.055 41.256 25.025  1.000 39.854  ? 138 ASN LLL HA   1 
ATOM   5299 H HB2  . ASN B 2 138 ? -22.312 42.478 26.863  1.000 43.356  ? 138 ASN LLL HB2  1 
ATOM   5300 H HB3  . ASN B 2 138 ? -23.561 42.071 25.977  1.000 44.167  ? 138 ASN LLL HB3  1 
ATOM   5301 H HD21 . ASN B 2 138 ? -23.776 39.292 27.836  0.000 30.000  ? 138 ASN LLL HD21 1 
ATOM   5302 H HD22 . ASN B 2 138 ? -24.403 40.652 27.519  0.000 30.000  ? 138 ASN LLL HD22 1 
ATOM   5303 N N    . ASN B 2 139 ? -22.303 40.476 23.114  1.000 38.506  ? 139 ASN LLL N    1 
ATOM   5304 C CA   . ASN B 2 139 ? -23.181 39.694 22.214  1.000 39.317  ? 139 ASN LLL CA   1 
ATOM   5305 C C    . ASN B 2 139 ? -23.391 40.486 20.935  1.000 38.378  ? 139 ASN LLL C    1 
ATOM   5306 O O    . ASN B 2 139 ? -24.527 40.787 20.614  1.000 37.571  ? 139 ASN LLL O    1 
ATOM   5307 C CB   . ASN B 2 139 ? -24.466 39.270 22.914  1.000 42.503  ? 139 ASN LLL CB   1 
ATOM   5308 C CG   . ASN B 2 139 ? -24.184 38.265 24.011  1.000 44.948  ? 139 ASN LLL CG   1 
ATOM   5309 O OD1  . ASN B 2 139 ? -23.053 37.815 24.189  1.000 44.174  ? 139 ASN LLL OD1  1 
ATOM   5310 N ND2  . ASN B 2 139 ? -25.204 37.949 24.782  1.000 48.619  ? 139 ASN LLL ND2  1 
ATOM   5311 H H    . ASN B 2 139 ? -21.485 40.089 23.218  1.000 38.241  ? 139 ASN LLL H    1 
ATOM   5312 H HA   . ASN B 2 139 ? -22.699 38.869 21.976  1.000 39.093  ? 139 ASN LLL HA   1 
ATOM   5313 H HB2  . ASN B 2 139 ? -24.902 40.058 23.298  1.000 42.888  ? 139 ASN LLL HB2  1 
ATOM   5314 H HB3  . ASN B 2 139 ? -25.074 38.870 22.258  1.000 43.217  ? 139 ASN LLL HB3  1 
ATOM   5315 H HD21 . ASN B 2 139 ? -25.078 37.305 25.391  0.000 30.000  ? 139 ASN LLL HD21 1 
ATOM   5316 H HD22 . ASN B 2 139 ? -25.984 38.248 24.595  0.000 30.000  ? 139 ASN LLL HD22 1 
ATOM   5317 N N    . PHE B 2 140 ? -22.306 40.758 20.217  1.000 36.612  ? 140 PHE LLL N    1 
ATOM   5318 C CA   . PHE B 2 140 ? -22.363 41.578 18.980  1.000 38.118  ? 140 PHE LLL CA   1 
ATOM   5319 C C    . PHE B 2 140 ? -21.877 40.752 17.789  1.000 37.239  ? 140 PHE LLL C    1 
ATOM   5320 O O    . PHE B 2 140 ? -21.137 39.780 17.998  1.000 35.649  ? 140 PHE LLL O    1 
ATOM   5321 C CB   . PHE B 2 140 ? -21.573 42.872 19.152  1.000 36.792  ? 140 PHE LLL CB   1 
ATOM   5322 C CG   . PHE B 2 140 ? -20.104 42.688 19.397  1.000 35.575  ? 140 PHE LLL CG   1 
ATOM   5323 C CD1  . PHE B 2 140 ? -19.226 42.560 18.343  1.000 35.563  ? 140 PHE LLL CD1  1 
ATOM   5324 C CD2  . PHE B 2 140 ? -19.599 42.648 20.689  1.000 35.958  ? 140 PHE LLL CD2  1 
ATOM   5325 C CE1  . PHE B 2 140 ? -17.872 42.371 18.577  1.000 33.895  ? 140 PHE LLL CE1  1 
ATOM   5326 C CE2  . PHE B 2 140 ? -18.239 42.486 20.921  1.000 33.771  ? 140 PHE LLL CE2  1 
ATOM   5327 C CZ   . PHE B 2 140 ? -17.379 42.387 19.861  1.000 33.832  ? 140 PHE LLL CZ   1 
ATOM   5328 H H    . PHE B 2 140 ? -21.468 40.462 20.418  1.000 36.400  ? 140 PHE LLL H    1 
ATOM   5329 H HA   . PHE B 2 140 ? -23.309 41.818 18.814  1.000 38.426  ? 140 PHE LLL HA   1 
ATOM   5330 H HB2  . PHE B 2 140 ? -21.692 43.416 18.346  1.000 37.512  ? 140 PHE LLL HB2  1 
ATOM   5331 H HB3  . PHE B 2 140 ? -21.955 43.365 19.903  1.000 37.125  ? 140 PHE LLL HB3  1 
ATOM   5332 H HD1  . PHE B 2 140 ? -19.554 42.575 17.460  1.000 35.887  ? 140 PHE LLL HD1  1 
ATOM   5333 H HD2  . PHE B 2 140 ? -20.188 42.747 21.420  1.000 35.515  ? 140 PHE LLL HD2  1 
ATOM   5334 H HE1  . PHE B 2 140 ? -17.280 42.300 17.849  1.000 34.247  ? 140 PHE LLL HE1  1 
ATOM   5335 H HE2  . PHE B 2 140 ? -17.908 42.473 21.805  1.000 33.824  ? 140 PHE LLL HE2  1 
ATOM   5336 H HZ   . PHE B 2 140 ? -16.457 42.250 20.014  1.000 33.235  ? 140 PHE LLL HZ   1 
ATOM   5337 N N    . TYR B 2 141 ? -22.254 41.182 16.592  1.000 38.675  ? 141 TYR LLL N    1 
ATOM   5338 C CA   . TYR B 2 141 ? -21.783 40.626 15.304  1.000 40.547  ? 141 TYR LLL CA   1 
ATOM   5339 C C    . TYR B 2 141 ? -21.870 41.699 14.235  1.000 42.115  ? 141 TYR LLL C    1 
ATOM   5340 O O    . TYR B 2 141 ? -22.899 42.337 14.120  1.000 45.368  ? 141 TYR LLL O    1 
ATOM   5341 C CB   . TYR B 2 141 ? -22.632 39.440 14.852  1.000 42.073  ? 141 TYR LLL CB   1 
ATOM   5342 C CG   . TYR B 2 141 ? -22.079 38.765 13.621  1.000 43.977  ? 141 TYR LLL CG   1 
ATOM   5343 C CD1  . TYR B 2 141 ? -21.124 37.781 13.753  1.000 43.439  ? 141 TYR LLL CD1  1 
ATOM   5344 C CD2  . TYR B 2 141 ? -22.434 39.159 12.333  1.000 45.622  ? 141 TYR LLL CD2  1 
ATOM   5345 C CE1  . TYR B 2 141 ? -20.562 37.169 12.645  1.000 46.252  ? 141 TYR LLL CE1  1 
ATOM   5346 C CE2  . TYR B 2 141 ? -21.879 38.559 11.211  1.000 46.118  ? 141 TYR LLL CE2  1 
ATOM   5347 C CZ   . TYR B 2 141 ? -20.940 37.553 11.372  1.000 46.940  ? 141 TYR LLL CZ   1 
ATOM   5348 O OH   . TYR B 2 141 ? -20.367 36.881 10.335  1.000 48.993  ? 141 TYR LLL OH   1 
ATOM   5349 H H    . TYR B 2 141 ? -22.847 41.864 16.477  1.000 39.613  ? 141 TYR LLL H    1 
ATOM   5350 H HA   . TYR B 2 141 ? -20.844 40.336 15.403  1.000 39.649  ? 141 TYR LLL HA   1 
ATOM   5351 H HB2  . TYR B 2 141 ? -22.679 38.789 15.583  1.000 41.862  ? 141 TYR LLL HB2  1 
ATOM   5352 H HB3  . TYR B 2 141 ? -23.542 39.755 14.667  1.000 43.243  ? 141 TYR LLL HB3  1 
ATOM   5353 H HD1  . TYR B 2 141 ? -20.856 37.510 14.615  1.000 43.263  ? 141 TYR LLL HD1  1 
ATOM   5354 H HD2  . TYR B 2 141 ? -23.071 39.845 12.220  1.000 46.476  ? 141 TYR LLL HD2  1 
ATOM   5355 H HE1  . TYR B 2 141 ? -19.930 36.478 12.758  1.000 44.704  ? 141 TYR LLL HE1  1 
ATOM   5356 H HE2  . TYR B 2 141 ? -22.152 38.820 10.347  1.000 47.434  ? 141 TYR LLL HE2  1 
ATOM   5357 H HH   . TYR B 2 141 ? -20.579 36.039 10.402  0.000 30.000  ? 141 TYR LLL HH   1 
ATOM   5358 N N    . PRO B 2 142 ? -20.858 41.877 13.357  1.000 42.877  ? 142 PRO LLL N    1 
ATOM   5359 C CA   . PRO B 2 142 ? -19.665 41.024 13.309  1.000 39.730  ? 142 PRO LLL CA   1 
ATOM   5360 C C    . PRO B 2 142 ? -18.595 41.367 14.346  1.000 39.513  ? 142 PRO LLL C    1 
ATOM   5361 O O    . PRO B 2 142 ? -18.823 42.198 15.195  1.000 38.743  ? 142 PRO LLL O    1 
ATOM   5362 C CB   . PRO B 2 142 ? -19.106 41.286 11.901  1.000 40.974  ? 142 PRO LLL CB   1 
ATOM   5363 C CG   . PRO B 2 142 ? -19.541 42.714 11.598  1.000 42.805  ? 142 PRO LLL CG   1 
ATOM   5364 C CD   . PRO B 2 142 ? -20.889 42.877 12.275  1.000 43.591  ? 142 PRO LLL CD   1 
ATOM   5365 H HA   . PRO B 2 142 ? -19.925 40.074 13.386  1.000 40.266  ? 142 PRO LLL HA   1 
ATOM   5366 H HB2  . PRO B 2 142 ? -18.131 41.208 11.881  1.000 40.449  ? 142 PRO LLL HB2  1 
ATOM   5367 H HB3  . PRO B 2 142 ? -19.488 40.660 11.249  1.000 41.518  ? 142 PRO LLL HB3  1 
ATOM   5368 H HG2  . PRO B 2 142 ? -18.894 43.356 11.957  1.000 42.321  ? 142 PRO LLL HG2  1 
ATOM   5369 H HG3  . PRO B 2 142 ? -19.620 42.855 10.633  1.000 43.572  ? 142 PRO LLL HG3  1 
ATOM   5370 H HD2  . PRO B 2 142 ? -20.994 43.777 12.634  1.000 43.792  ? 142 PRO LLL HD2  1 
ATOM   5371 H HD3  . PRO B 2 142 ? -21.617 42.696 11.653  1.000 44.549  ? 142 PRO LLL HD3  1 
ATOM   5372 N N    . ARG B 2 143 ? -17.462 40.683 14.256  1.000 41.793  ? 143 ARG LLL N    1 
ATOM   5373 C CA   . ARG B 2 143 ? -16.392 40.669 15.290  1.000 44.099  ? 143 ARG LLL CA   1 
ATOM   5374 C C    . ARG B 2 143 ? -15.706 42.038 15.407  1.000 43.285  ? 143 ARG LLL C    1 
ATOM   5375 O O    . ARG B 2 143 ? -15.203 42.384 16.521  1.000 41.811  ? 143 ARG LLL O    1 
ATOM   5376 C CB   . ARG B 2 143 ? -15.361 39.616 14.899  1.000 44.965  ? 143 ARG LLL CB   1 
ATOM   5377 C CG   . ARG B 2 143 ? -14.278 39.400 15.942  1.000 45.883  ? 143 ARG LLL CG   1 
ATOM   5378 C CD   . ARG B 2 143 ? -13.402 38.253 15.482  1.000 47.476  ? 143 ARG LLL CD   1 
ATOM   5379 N NE   . ARG B 2 143 ? -12.515 37.894 16.565  1.000 52.230  ? 143 ARG LLL NE   1 
ATOM   5380 C CZ   . ARG B 2 143 ? -11.429 38.576 16.907  1.000 53.423  ? 143 ARG LLL CZ   1 
ATOM   5381 N NH1  . ARG B 2 143 ? -11.095 39.671 16.246  1.000 49.918  ? 143 ARG LLL NH1  1 
ATOM   5382 N NH2  . ARG B 2 143 ? -10.687 38.157 17.923  1.000 55.586  ? 143 ARG LLL NH2  1 
ATOM   5383 H H    . ARG B 2 143 ? -17.272 40.154 13.540  1.000 41.899  ? 143 ARG LLL H    1 
ATOM   5384 H HA   . ARG B 2 143 ? -16.791 40.430 16.159  1.000 43.230  ? 143 ARG LLL HA   1 
ATOM   5385 H HB2  . ARG B 2 143 ? -15.824 38.767 14.742  1.000 45.055  ? 143 ARG LLL HB2  1 
ATOM   5386 H HB3  . ARG B 2 143 ? -14.939 39.889 14.057  1.000 45.369  ? 143 ARG LLL HB3  1 
ATOM   5387 H HG2  . ARG B 2 143 ? -13.738 40.212 16.043  1.000 45.962  ? 143 ARG LLL HG2  1 
ATOM   5388 H HG3  . ARG B 2 143 ? -14.684 39.181 16.808  1.000 45.666  ? 143 ARG LLL HG3  1 
ATOM   5389 H HD2  . ARG B 2 143 ? -13.959 37.483 15.241  1.000 48.265  ? 143 ARG LLL HD2  1 
ATOM   5390 H HD3  . ARG B 2 143 ? -12.883 38.520 14.694  1.000 48.464  ? 143 ARG LLL HD3  1 
ATOM   5391 H HE   . ARG B 2 143 ? -12.705 37.179 17.026  1.000 51.015  ? 143 ARG LLL HE   1 
ATOM   5392 H HH11 . ARG B 2 143 ? -11.580 39.952 15.573  1.000 51.660  ? 143 ARG LLL HH11 1 
ATOM   5393 H HH12 . ARG B 2 143 ? -10.374 40.116 16.480  1.000 51.262  ? 143 ARG LLL HH12 1 
ATOM   5394 H HH21 . ARG B 2 143 ? -10.914 37.428 18.364  1.000 54.070  ? 143 ARG LLL HH21 1 
ATOM   5395 H HH22 . ARG B 2 143 ? -9.966  38.607 18.155  1.000 54.324  ? 143 ARG LLL HH22 1 
ATOM   5396 N N    . GLU B 2 144 ? -15.611 42.738 14.278  1.000 44.025  ? 144 GLU LLL N    1 
ATOM   5397 C CA   . GLU B 2 144 ? -14.930 44.050 14.145  1.000 47.146  ? 144 GLU LLL CA   1 
ATOM   5398 C C    . GLU B 2 144 ? -15.610 45.045 15.096  1.000 46.229  ? 144 GLU LLL C    1 
ATOM   5399 O O    . GLU B 2 144 ? -16.781 45.302 14.951  1.000 42.138  ? 144 GLU LLL O    1 
ATOM   5400 C CB   . GLU B 2 144 ? -15.033 44.550 12.699  1.000 51.575  ? 144 GLU LLL CB   1 
ATOM   5401 C CG   . GLU B 2 144 ? -14.202 43.759 11.689  1.000 57.972  ? 144 GLU LLL CG   1 
ATOM   5402 C CD   . GLU B 2 144 ? -14.488 42.258 11.522  1.000 61.532  ? 144 GLU LLL CD   1 
ATOM   5403 O OE1  . GLU B 2 144 ? -15.670 41.881 11.204  1.000 59.583  ? 144 GLU LLL OE1  1 
ATOM   5404 O OE2  . GLU B 2 144 ? -13.521 41.452 11.713  1.000 63.577  ? 144 GLU LLL OE2  1 
ATOM   5405 H H    . GLU B 2 144 ? -15.990 42.452 13.504  1.000 45.191  ? 144 GLU LLL H    1 
ATOM   5406 H HA   . GLU B 2 144 ? -13.983 43.950 14.394  1.000 46.529  ? 144 GLU LLL HA   1 
ATOM   5407 H HB2  . GLU B 2 144 ? -15.974 44.519 12.427  1.000 52.674  ? 144 GLU LLL HB2  1 
ATOM   5408 H HB3  . GLU B 2 144 ? -14.748 45.487 12.676  1.000 52.670  ? 144 GLU LLL HB3  1 
ATOM   5409 H HG2  . GLU B 2 144 ? -14.312 44.180 10.810  1.000 58.237  ? 144 GLU LLL HG2  1 
ATOM   5410 H HG3  . GLU B 2 144 ? -13.257 43.855 11.932  1.000 56.937  ? 144 GLU LLL HG3  1 
ATOM   5411 N N    . ALA B 2 145 ? -14.909 45.551 16.093  1.000 47.358  ? 145 ALA LLL N    1 
ATOM   5412 C CA   . ALA B 2 145 ? -15.442 46.581 17.007  1.000 46.722  ? 145 ALA LLL CA   1 
ATOM   5413 C C    . ALA B 2 145 ? -14.280 47.452 17.461  1.000 47.077  ? 145 ALA LLL C    1 
ATOM   5414 O O    . ALA B 2 145 ? -13.145 47.000 17.347  1.000 46.524  ? 145 ALA LLL O    1 
ATOM   5415 C CB   . ALA B 2 145 ? -16.148 45.924 18.162  1.000 47.094  ? 145 ALA LLL CB   1 
ATOM   5416 H H    . ALA B 2 145 ? -14.056 45.301 16.296  1.000 46.326  ? 145 ALA LLL H    1 
ATOM   5417 H HA   . ALA B 2 145 ? -16.084 47.144 16.514  1.000 47.889  ? 145 ALA LLL HA   1 
ATOM   5418 H HB1  . ALA B 2 145 ? -16.528 46.605 18.742  1.000 46.982  ? 145 ALA LLL HB1  1 
ATOM   5419 H HB2  . ALA B 2 145 ? -16.860 45.353 17.826  1.000 46.840  ? 145 ALA LLL HB2  1 
ATOM   5420 H HB3  . ALA B 2 145 ? -15.515 45.387 18.668  1.000 46.112  ? 145 ALA LLL HB3  1 
ATOM   5421 N N    . LYS B 2 146 ? -14.560 48.667 17.903  1.000 47.453  ? 146 LYS LLL N    1 
ATOM   5422 C CA   . LYS B 2 146 ? -13.515 49.588 18.373  1.000 48.559  ? 146 LYS LLL CA   1 
ATOM   5423 C C    . LYS B 2 146 ? -13.971 50.154 19.719  1.000 47.274  ? 146 LYS LLL C    1 
ATOM   5424 O O    . LYS B 2 146 ? -15.116 50.590 19.823  1.000 47.922  ? 146 LYS LLL O    1 
ATOM   5425 C CB   . LYS B 2 146 ? -13.277 50.633 17.288  1.000 52.110  ? 146 LYS LLL CB   1 
ATOM   5426 C CG   . LYS B 2 146 ? -12.118 51.565 17.584  1.000 58.906  ? 146 LYS LLL CG   1 
ATOM   5427 C CD   . LYS B 2 146 ? -12.305 52.969 17.057  1.000 66.063  ? 146 LYS LLL CD   1 
ATOM   5428 C CE   . LYS B 2 146 ? -11.188 53.879 17.521  1.000 70.219  ? 146 LYS LLL CE   1 
ATOM   5429 N NZ   . LYS B 2 146 ? -11.189 55.160 16.781  1.000 75.901  ? 146 LYS LLL NZ   1 
ATOM   5430 H H    . LYS B 2 146 ? -15.406 49.003 17.937  1.000 48.050  ? 146 LYS LLL H    1 
ATOM   5431 H HA   . LYS B 2 146 ? -12.685 49.079 18.509  1.000 48.134  ? 146 LYS LLL HA   1 
ATOM   5432 H HB2  . LYS B 2 146 ? -13.104 50.172 16.440  1.000 53.031  ? 146 LYS LLL HB2  1 
ATOM   5433 H HB3  . LYS B 2 146 ? -14.091 51.165 17.182  1.000 53.460  ? 146 LYS LLL HB3  1 
ATOM   5434 H HG2  . LYS B 2 146 ? -11.986 51.607 18.555  1.000 58.102  ? 146 LYS LLL HG2  1 
ATOM   5435 H HG3  . LYS B 2 146 ? -11.304 51.185 17.190  1.000 58.519  ? 146 LYS LLL HG3  1 
ATOM   5436 H HD2  . LYS B 2 146 ? -12.320 52.950 16.076  1.000 66.022  ? 146 LYS LLL HD2  1 
ATOM   5437 H HD3  . LYS B 2 146 ? -13.163 53.325 17.372  1.000 65.516  ? 146 LYS LLL HD3  1 
ATOM   5438 H HE2  . LYS B 2 146 ? -11.290 54.062 18.474  1.000 69.911  ? 146 LYS LLL HE2  1 
ATOM   5439 H HE3  . LYS B 2 146 ? -10.329 53.436 17.388  1.000 70.053  ? 146 LYS LLL HE3  1 
ATOM   5440 H HZ1  . LYS B 2 146 ? -10.996 55.011 15.907  1.000 75.105  ? 146 LYS LLL HZ1  1 
ATOM   5441 H HZ2  . LYS B 2 146 ? -10.566 55.718 17.132  1.000 75.129  ? 146 LYS LLL HZ2  1 
ATOM   5442 H HZ3  . LYS B 2 146 ? -12.005 55.550 16.843  1.000 74.890  ? 146 LYS LLL HZ3  1 
ATOM   5443 N N    . VAL B 2 147 ? -13.096 50.117 20.713  1.000 44.050  ? 147 VAL LLL N    1 
ATOM   5444 C CA   . VAL B 2 147 ? -13.272 50.797 22.017  1.000 45.565  ? 147 VAL LLL CA   1 
ATOM   5445 C C    . VAL B 2 147 ? -12.297 51.964 22.096  1.000 46.611  ? 147 VAL LLL C    1 
ATOM   5446 O O    . VAL B 2 147 ? -11.121 51.746 21.885  1.000 46.661  ? 147 VAL LLL O    1 
ATOM   5447 C CB   . VAL B 2 147 ? -12.990 49.846 23.186  1.000 47.434  ? 147 VAL LLL CB   1 
ATOM   5448 C CG1  . VAL B 2 147 ? -12.884 50.599 24.515  1.000 48.267  ? 147 VAL LLL CG1  1 
ATOM   5449 C CG2  . VAL B 2 147 ? -14.046 48.772 23.233  1.000 47.749  ? 147 VAL LLL CG2  1 
ATOM   5450 H H    . VAL B 2 147 ? -12.311 49.659 20.654  1.000 44.758  ? 147 VAL LLL H    1 
ATOM   5451 H HA   . VAL B 2 147 ? -14.183 51.130 22.086  1.000 46.044  ? 147 VAL LLL HA   1 
ATOM   5452 H HB   . VAL B 2 147 ? -12.119 49.409 23.013  1.000 46.946  ? 147 VAL LLL HB   1 
ATOM   5453 H HG11 . VAL B 2 147 ? -11.985 50.956 24.618  1.000 48.379  ? 147 VAL LLL HG11 1 
ATOM   5454 H HG12 . VAL B 2 147 ? -13.074 49.991 25.250  1.000 47.637  ? 147 VAL LLL HG12 1 
ATOM   5455 H HG13 . VAL B 2 147 ? -13.526 51.330 24.528  1.000 48.529  ? 147 VAL LLL HG13 1 
ATOM   5456 H HG21 . VAL B 2 147 ? -14.925 49.184 23.304  1.000 47.756  ? 147 VAL LLL HG21 1 
ATOM   5457 H HG22 . VAL B 2 147 ? -13.894 48.199 24.005  1.000 47.023  ? 147 VAL LLL HG22 1 
ATOM   5458 H HG23 . VAL B 2 147 ? -14.004 48.238 22.421  1.000 47.299  ? 147 VAL LLL HG23 1 
ATOM   5459 N N    . GLN B 2 148 ? -12.779 53.130 22.501  1.000 47.761  ? 148 GLN LLL N    1 
ATOM   5460 C CA   . GLN B 2 148 ? -11.944 54.313 22.792  1.000 49.697  ? 148 GLN LLL CA   1 
ATOM   5461 C C    . GLN B 2 148 ? -12.237 54.672 24.245  1.000 45.828  ? 148 GLN LLL C    1 
ATOM   5462 O O    . GLN B 2 148 ? -13.376 54.990 24.571  1.000 45.551  ? 148 GLN LLL O    1 
ATOM   5463 C CB   . GLN B 2 148 ? -12.285 55.398 21.766  1.000 55.278  ? 148 GLN LLL CB   1 
ATOM   5464 C CG   . GLN B 2 148 ? -11.652 56.756 22.027  1.000 61.827  ? 148 GLN LLL CG   1 
ATOM   5465 C CD   . GLN B 2 148 ? -10.164 56.740 21.769  1.000 66.462  ? 148 GLN LLL CD   1 
ATOM   5466 O OE1  . GLN B 2 148 ? -9.709  56.371 20.680  1.000 73.432  ? 148 GLN LLL OE1  1 
ATOM   5467 N NE2  . GLN B 2 148 ? -9.396  57.133 22.777  1.000 64.656  ? 148 GLN LLL NE2  1 
ATOM   5468 H H    . GLN B 2 148 ? -13.671 53.275 22.621  1.000 47.898  ? 148 GLN LLL H    1 
ATOM   5469 H HA   . GLN B 2 148 ? -10.994 54.067 22.703  1.000 49.499  ? 148 GLN LLL HA   1 
ATOM   5470 H HB2  . GLN B 2 148 ? -12.003 55.082 20.882  1.000 55.490  ? 148 GLN LLL HB2  1 
ATOM   5471 H HB3  . GLN B 2 148 ? -13.258 55.503 21.744  1.000 55.312  ? 148 GLN LLL HB3  1 
ATOM   5472 H HG2  . GLN B 2 148 ? -12.071 57.425 21.444  1.000 62.254  ? 148 GLN LLL HG2  1 
ATOM   5473 H HG3  . GLN B 2 148 ? -11.816 57.021 22.956  1.000 61.316  ? 148 GLN LLL HG3  1 
ATOM   5474 H HE21 . GLN B 2 148 ? -8.518  57.155 22.686  0.000 30.000  ? 148 GLN LLL HE21 1 
ATOM   5475 H HE22 . GLN B 2 148 ? -9.756  57.348 23.565  0.000 30.000  ? 148 GLN LLL HE22 1 
ATOM   5476 N N    . TRP B 2 149 ? -11.231 54.646 25.090  1.000 43.511  ? 149 TRP LLL N    1 
ATOM   5477 C CA   . TRP B 2 149 ? -11.355 55.170 26.465  1.000 43.592  ? 149 TRP LLL CA   1 
ATOM   5478 C C    . TRP B 2 149 ? -11.174 56.698 26.477  1.000 45.274  ? 149 TRP LLL C    1 
ATOM   5479 O O    . TRP B 2 149 ? -10.309 57.220 25.722  1.000 43.975  ? 149 TRP LLL O    1 
ATOM   5480 C CB   . TRP B 2 149 ? -10.382 54.461 27.388  1.000 42.541  ? 149 TRP LLL CB   1 
ATOM   5481 C CG   . TRP B 2 149 ? -10.777 53.055 27.710  1.000 39.656  ? 149 TRP LLL CG   1 
ATOM   5482 C CD1  . TRP B 2 149 ? -10.246 51.942 27.155  1.000 39.928  ? 149 TRP LLL CD1  1 
ATOM   5483 C CD2  . TRP B 2 149 ? -11.686 52.610 28.735  1.000 40.100  ? 149 TRP LLL CD2  1 
ATOM   5484 N NE1  . TRP B 2 149 ? -10.781 50.822 27.738  1.000 40.718  ? 149 TRP LLL NE1  1 
ATOM   5485 C CE2  . TRP B 2 149 ? -11.671 51.197 28.709  1.000 39.941  ? 149 TRP LLL CE2  1 
ATOM   5486 C CE3  . TRP B 2 149 ? -12.505 53.250 29.685  1.000 40.856  ? 149 TRP LLL CE3  1 
ATOM   5487 C CZ2  . TRP B 2 149 ? -12.438 50.417 29.583  1.000 37.872  ? 149 TRP LLL CZ2  1 
ATOM   5488 C CZ3  . TRP B 2 149 ? -13.269 52.485 30.551  1.000 40.862  ? 149 TRP LLL CZ3  1 
ATOM   5489 C CH2  . TRP B 2 149 ? -13.201 51.080 30.520  1.000 39.770  ? 149 TRP LLL CH2  1 
ATOM   5490 H H    . TRP B 2 149 ? -10.408 54.312 24.887  1.000 43.989  ? 149 TRP LLL H    1 
ATOM   5491 H HA   . TRP B 2 149 ? -12.265 54.962 26.782  1.000 43.152  ? 149 TRP LLL HA   1 
ATOM   5492 H HB2  . TRP B 2 149 ? -9.500  54.457 26.965  1.000 42.604  ? 149 TRP LLL HB2  1 
ATOM   5493 H HB3  . TRP B 2 149 ? -10.314 54.973 28.219  1.000 42.726  ? 149 TRP LLL HB3  1 
ATOM   5494 H HD1  . TRP B 2 149 ? -9.626  51.930 26.442  1.000 40.255  ? 149 TRP LLL HD1  1 
ATOM   5495 H HE1  . TRP B 2 149 ? -10.597 50.003 27.511  1.000 39.538  ? 149 TRP LLL HE1  1 
ATOM   5496 H HE3  . TRP B 2 149 ? -12.522 54.193 29.739  1.000 41.499  ? 149 TRP LLL HE3  1 
ATOM   5497 H HZ2  . TRP B 2 149 ? -12.412 49.479 29.547  1.000 38.168  ? 149 TRP LLL HZ2  1 
ATOM   5498 H HZ3  . TRP B 2 149 ? -13.822 52.911 31.187  1.000 40.933  ? 149 TRP LLL HZ3  1 
ATOM   5499 H HH2  . TRP B 2 149 ? -13.763 50.583 31.086  1.000 39.334  ? 149 TRP LLL HH2  1 
ATOM   5500 N N    . LYS B 2 150 ? -11.998 57.365 27.296  1.000 44.790  ? 150 LYS LLL N    1 
ATOM   5501 C CA   . LYS B 2 150 ? -11.891 58.797 27.638  1.000 47.917  ? 150 LYS LLL CA   1 
ATOM   5502 C C    . LYS B 2 150 ? -11.977 59.027 29.151  1.000 47.288  ? 150 LYS LLL C    1 
ATOM   5503 O O    . LYS B 2 150 ? -12.849 58.424 29.828  1.000 48.476  ? 150 LYS LLL O    1 
ATOM   5504 C CB   . LYS B 2 150 ? -12.986 59.587 26.916  1.000 51.906  ? 150 LYS LLL CB   1 
ATOM   5505 C CG   . LYS B 2 150 ? -12.807 59.661 25.405  1.000 55.526  ? 150 LYS LLL CG   1 
ATOM   5506 C CD   . LYS B 2 150 ? -14.032 60.183 24.691  1.000 60.216  ? 150 LYS LLL CD   1 
ATOM   5507 C CE   . LYS B 2 150 ? -13.918 60.017 23.191  1.000 65.034  ? 150 LYS LLL CE   1 
ATOM   5508 N NZ   . LYS B 2 150 ? -15.120 60.539 22.495  1.000 68.160  ? 150 LYS LLL NZ   1 
ATOM   5509 H H    . LYS B 2 150 ? -12.703 56.957 27.705  1.000 44.827  ? 150 LYS LLL H    1 
ATOM   5510 H HA   . LYS B 2 150 ? -11.018 59.117 27.324  1.000 48.660  ? 150 LYS LLL HA   1 
ATOM   5511 H HB2  . LYS B 2 150 ? -13.851 59.171 27.111  1.000 51.163  ? 150 LYS LLL HB2  1 
ATOM   5512 H HB3  . LYS B 2 150 ? -13.002 60.499 27.276  1.000 52.596  ? 150 LYS LLL HB3  1 
ATOM   5513 H HG2  . LYS B 2 150 ? -12.045 60.246 25.204  1.000 56.540  ? 150 LYS LLL HG2  1 
ATOM   5514 H HG3  . LYS B 2 150 ? -12.596 58.765 25.066  1.000 54.896  ? 150 LYS LLL HG3  1 
ATOM   5515 H HD2  . LYS B 2 150 ? -14.824 59.699 25.009  1.000 59.439  ? 150 LYS LLL HD2  1 
ATOM   5516 H HD3  . LYS B 2 150 ? -14.149 61.134 24.901  1.000 61.052  ? 150 LYS LLL HD3  1 
ATOM   5517 H HE2  . LYS B 2 150 ? -13.134 60.498 22.870  1.000 65.277  ? 150 LYS LLL HE2  1 
ATOM   5518 H HE3  . LYS B 2 150 ? -13.807 59.073 22.972  1.000 63.626  ? 150 LYS LLL HE3  1 
ATOM   5519 H HZ1  . LYS B 2 150 ? -15.867 60.168 22.851  1.000 66.792  ? 150 LYS LLL HZ1  1 
ATOM   5520 H HZ2  . LYS B 2 150 ? -15.077 60.334 21.612  1.000 67.610  ? 150 LYS LLL HZ2  1 
ATOM   5521 H HZ3  . LYS B 2 150 ? -15.163 61.440 22.589  1.000 68.318  ? 150 LYS LLL HZ3  1 
ATOM   5522 N N    . VAL B 2 151 ? -11.163 59.979 29.620  1.000 48.203  ? 151 VAL LLL N    1 
ATOM   5523 C CA   . VAL B 2 151 ? -11.088 60.473 31.022  1.000 48.590  ? 151 VAL LLL CA   1 
ATOM   5524 C C    . VAL B 2 151 ? -11.246 62.006 30.950  1.000 50.156  ? 151 VAL LLL C    1 
ATOM   5525 O O    . VAL B 2 151 ? -10.437 62.659 30.285  1.000 48.888  ? 151 VAL LLL O    1 
ATOM   5526 C CB   . VAL B 2 151 ? -9.769  60.009 31.687  1.000 48.578  ? 151 VAL LLL CB   1 
ATOM   5527 C CG1  . VAL B 2 151 ? -9.686  60.408 33.153  1.000 49.014  ? 151 VAL LLL CG1  1 
ATOM   5528 C CG2  . VAL B 2 151 ? -9.563  58.501 31.556  1.000 47.077  ? 151 VAL LLL CG2  1 
ATOM   5529 H H    . VAL B 2 151 ? -10.568 60.405 29.076  1.000 48.915  ? 151 VAL LLL H    1 
ATOM   5530 H HA   . VAL B 2 151 ? -11.834 60.103 31.520  1.000 48.013  ? 151 VAL LLL HA   1 
ATOM   5531 H HB   . VAL B 2 151 ? -9.025  60.456 31.212  1.000 49.320  ? 151 VAL LLL HB   1 
ATOM   5532 H HG11 . VAL B 2 151 ? -9.643  61.376 33.222  1.000 50.087  ? 151 VAL LLL HG11 1 
ATOM   5533 H HG12 . VAL B 2 151 ? -8.889  60.019 33.552  1.000 49.242  ? 151 VAL LLL HG12 1 
ATOM   5534 H HG13 . VAL B 2 151 ? -10.475 60.084 33.623  1.000 48.493  ? 151 VAL LLL HG13 1 
ATOM   5535 H HG21 . VAL B 2 151 ? -10.298 58.034 31.990  1.000 46.464  ? 151 VAL LLL HG21 1 
ATOM   5536 H HG22 . VAL B 2 151 ? -8.724  58.250 31.980  1.000 47.400  ? 151 VAL LLL HG22 1 
ATOM   5537 H HG23 . VAL B 2 151 ? -9.536  58.257 30.615  1.000 46.829  ? 151 VAL LLL HG23 1 
ATOM   5538 N N    . ASP B 2 152 ? -12.314 62.539 31.539  1.000 51.983  ? 152 ASP LLL N    1 
ATOM   5539 C CA   . ASP B 2 152 ? -12.805 63.940 31.341  1.000 54.945  ? 152 ASP LLL CA   1 
ATOM   5540 C C    . ASP B 2 152 ? -12.703 64.344 29.851  1.000 55.208  ? 152 ASP LLL C    1 
ATOM   5541 O O    . ASP B 2 152 ? -12.198 65.442 29.527  1.000 54.606  ? 152 ASP LLL O    1 
ATOM   5542 C CB   . ASP B 2 152 ? -12.102 64.872 32.339  1.000 56.851  ? 152 ASP LLL CB   1 
ATOM   5543 C CG   . ASP B 2 152 ? -12.488 64.556 33.774  1.000 56.412  ? 152 ASP LLL CG   1 
ATOM   5544 O OD1  . ASP B 2 152 ? -13.679 64.238 34.008  1.000 56.721  ? 152 ASP LLL OD1  1 
ATOM   5545 O OD2  . ASP B 2 152 ? -11.605 64.598 34.632  1.000 59.908  ? 152 ASP LLL OD2  1 
ATOM   5546 H H    . ASP B 2 152 ? -12.828 62.063 32.122  1.000 51.316  ? 152 ASP LLL H    1 
ATOM   5547 H HA   . ASP B 2 152 ? -13.762 63.944 31.576  1.000 54.327  ? 152 ASP LLL HA   1 
ATOM   5548 H HB2  . ASP B 2 152 ? -11.132 64.779 32.245  1.000 57.079  ? 152 ASP LLL HB2  1 
ATOM   5549 H HB3  . ASP B 2 152 ? -12.345 65.801 32.147  1.000 57.630  ? 152 ASP LLL HB3  1 
ATOM   5550 N N    . ASN B 2 153 ? -13.168 63.464 28.962  1.000 54.228  ? 153 ASN LLL N    1 
ATOM   5551 C CA   . ASN B 2 153 ? -13.280 63.689 27.497  1.000 55.633  ? 153 ASN LLL CA   1 
ATOM   5552 C C    . ASN B 2 153 ? -11.912 63.708 26.813  1.000 56.550  ? 153 ASN LLL C    1 
ATOM   5553 O O    . ASN B 2 153 ? -11.908 63.838 25.577  1.000 59.084  ? 153 ASN LLL O    1 
ATOM   5554 C CB   . ASN B 2 153 ? -14.124 64.928 27.188  1.000 57.824  ? 153 ASN LLL CB   1 
ATOM   5555 C CG   . ASN B 2 153 ? -15.607 64.619 27.283  1.000 57.753  ? 153 ASN LLL CG   1 
ATOM   5556 O OD1  . ASN B 2 153 ? -16.049 63.590 26.770  1.000 60.022  ? 153 ASN LLL OD1  1 
ATOM   5557 N ND2  . ASN B 2 153 ? -16.378 65.478 27.934  1.000 57.346  ? 153 ASN LLL ND2  1 
ATOM   5558 H H    . ASN B 2 153 ? -13.464 62.640 29.214  1.000 53.413  ? 153 ASN LLL H    1 
ATOM   5559 H HA   . ASN B 2 153 ? -13.771 62.918 27.130  1.000 54.775  ? 153 ASN LLL HA   1 
ATOM   5560 H HB2  . ASN B 2 153 ? -13.901 65.640 27.819  1.000 58.485  ? 153 ASN LLL HB2  1 
ATOM   5561 H HB3  . ASN B 2 153 ? -13.917 65.243 26.285  1.000 58.465  ? 153 ASN LLL HB3  1 
ATOM   5562 H HD21 . ASN B 2 153 ? -17.242 65.279 28.027  0.000 30.000  ? 153 ASN LLL HD21 1 
ATOM   5563 H HD22 . ASN B 2 153 ? -16.029 66.161 28.336  0.000 30.000  ? 153 ASN LLL HD22 1 
ATOM   5564 N N    . ALA B 2 154 ? -10.807 63.502 27.543  1.000 55.801  ? 154 ALA LLL N    1 
ATOM   5565 C CA   . ALA B 2 154 ? -9.462  63.292 26.953  1.000 54.409  ? 154 ALA LLL CA   1 
ATOM   5566 C C    . ALA B 2 154 ? -9.351  61.837 26.477  1.000 54.106  ? 154 ALA LLL C    1 
ATOM   5567 O O    . ALA B 2 154 ? -9.589  60.925 27.302  1.000 50.340  ? 154 ALA LLL O    1 
ATOM   5568 C CB   . ALA B 2 154 ? -8.390  63.624 27.965  1.000 55.391  ? 154 ALA LLL CB   1 
ATOM   5569 H H    . ALA B 2 154 ? -10.796 63.467 28.451  1.000 55.322  ? 154 ALA LLL H    1 
ATOM   5570 H HA   . ALA B 2 154 ? -9.362  63.889 26.174  1.000 56.020  ? 154 ALA LLL HA   1 
ATOM   5571 H HB1  . ALA B 2 154 ? -7.531  63.695 27.517  1.000 56.052  ? 154 ALA LLL HB1  1 
ATOM   5572 H HB2  . ALA B 2 154 ? -8.600  64.470 28.395  1.000 56.187  ? 154 ALA LLL HB2  1 
ATOM   5573 H HB3  . ALA B 2 154 ? -8.347  62.923 28.636  1.000 54.441  ? 154 ALA LLL HB3  1 
ATOM   5574 N N    . LEU B 2 155 ? -8.988  61.640 25.207  1.000 54.599  ? 155 LEU LLL N    1 
ATOM   5575 C CA   . LEU B 2 155 ? -8.752  60.321 24.570  1.000 56.439  ? 155 LEU LLL CA   1 
ATOM   5576 C C    . LEU B 2 155 ? -7.571  59.639 25.257  1.000 55.981  ? 155 LEU LLL C    1 
ATOM   5577 O O    . LEU B 2 155 ? -6.532  60.265 25.415  1.000 57.614  ? 155 LEU LLL O    1 
ATOM   5578 C CB   . LEU B 2 155 ? -8.450  60.512 23.081  1.000 59.417  ? 155 LEU LLL CB   1 
ATOM   5579 C CG   . LEU B 2 155 ? -9.633  61.018 22.263  1.000 63.359  ? 155 LEU LLL CG   1 
ATOM   5580 C CD1  . LEU B 2 155 ? -9.170  61.694 20.975  1.000 66.932  ? 155 LEU LLL CD1  1 
ATOM   5581 C CD2  . LEU B 2 155 ? -10.598 59.888 21.980  1.000 62.622  ? 155 LEU LLL CD2  1 
ATOM   5582 H H    . LEU B 2 155 ? -8.852  62.338 24.638  1.000 56.363  ? 155 LEU LLL H    1 
ATOM   5583 H HA   . LEU B 2 155 ? -9.557  59.766 24.681  1.000 55.197  ? 155 LEU LLL HA   1 
ATOM   5584 H HB2  . LEU B 2 155 ? -7.710  61.146 22.992  1.000 60.898  ? 155 LEU LLL HB2  1 
ATOM   5585 H HB3  . LEU B 2 155 ? -8.155  59.656 22.711  1.000 58.989  ? 155 LEU LLL HB3  1 
ATOM   5586 H HG   . LEU B 2 155 ? -10.110 61.694 22.803  1.000 63.502  ? 155 LEU LLL HG   1 
ATOM   5587 H HD11 . LEU B 2 155 ? -8.594  62.447 21.192  1.000 67.450  ? 155 LEU LLL HD11 1 
ATOM   5588 H HD12 . LEU B 2 155 ? -9.944  62.011 20.479  1.000 66.653  ? 155 LEU LLL HD12 1 
ATOM   5589 H HD13 . LEU B 2 155 ? -8.677  61.054 20.432  1.000 66.036  ? 155 LEU LLL HD13 1 
ATOM   5590 H HD21 . LEU B 2 155 ? -10.191 59.267 21.352  1.000 62.104  ? 155 LEU LLL HD21 1 
ATOM   5591 H HD22 . LEU B 2 155 ? -11.413 60.248 21.591  1.000 62.694  ? 155 LEU LLL HD22 1 
ATOM   5592 H HD23 . LEU B 2 155 ? -10.811 59.423 22.807  1.000 61.424  ? 155 LEU LLL HD23 1 
ATOM   5593 N N    . GLN B 2 156 ? -7.735  58.388 25.639  1.000 55.363  ? 156 GLN LLL N    1 
ATOM   5594 C CA   . GLN B 2 156 ? -6.660  57.575 26.235  1.000 54.378  ? 156 GLN LLL CA   1 
ATOM   5595 C C    . GLN B 2 156 ? -6.000  56.802 25.098  1.000 56.382  ? 156 GLN LLL C    1 
ATOM   5596 O O    . GLN B 2 156 ? -6.563  56.727 24.008  1.000 59.869  ? 156 GLN LLL O    1 
ATOM   5597 C CB   . GLN B 2 156 ? -7.260  56.713 27.344  1.000 52.254  ? 156 GLN LLL CB   1 
ATOM   5598 C CG   . GLN B 2 156 ? -7.931  57.551 28.425  1.000 50.866  ? 156 GLN LLL CG   1 
ATOM   5599 C CD   . GLN B 2 156 ? -6.920  58.522 28.985  1.000 50.629  ? 156 GLN LLL CD   1 
ATOM   5600 O OE1  . GLN B 2 156 ? -5.915  58.100 29.531  1.000 48.337  ? 156 GLN LLL OE1  1 
ATOM   5601 N NE2  . GLN B 2 156 ? -7.158  59.813 28.821  1.000 51.154  ? 156 GLN LLL NE2  1 
ATOM   5602 H H    . GLN B 2 156 ? -8.528  57.946 25.554  1.000 54.149  ? 156 GLN LLL H    1 
ATOM   5603 H HA   . GLN B 2 156 ? -5.991  58.180 26.628  1.000 55.742  ? 156 GLN LLL HA   1 
ATOM   5604 H HB2  . GLN B 2 156 ? -7.918  56.104 26.949  1.000 51.105  ? 156 GLN LLL HB2  1 
ATOM   5605 H HB3  . GLN B 2 156 ? -6.549  56.174 27.745  1.000 51.873  ? 156 GLN LLL HB3  1 
ATOM   5606 H HG2  . GLN B 2 156 ? -8.691  58.042 28.047  1.000 50.947  ? 156 GLN LLL HG2  1 
ATOM   5607 H HG3  . GLN B 2 156 ? -8.262  56.968 29.141  1.000 50.148  ? 156 GLN LLL HG3  1 
ATOM   5608 H HE21 . GLN B 2 156 ? -6.560  60.412 29.096  0.000 30.000  ? 156 GLN LLL HE21 1 
ATOM   5609 H HE22 . GLN B 2 156 ? -7.867  60.079 28.371  0.000 30.000  ? 156 GLN LLL HE22 1 
ATOM   5610 N N    . SER B 2 157 ? -4.836  56.243 25.362  1.000 58.044  ? 157 SER LLL N    1 
ATOM   5611 C CA   . SER B 2 157 ? -3.940  55.640 24.354  1.000 58.564  ? 157 SER LLL CA   1 
ATOM   5612 C C    . SER B 2 157 ? -2.754  55.000 25.097  1.000 57.333  ? 157 SER LLL C    1 
ATOM   5613 O O    . SER B 2 157 ? -2.063  55.721 25.818  1.000 60.609  ? 157 SER LLL O    1 
ATOM   5614 C CB   . SER B 2 157 ? -3.531  56.727 23.383  1.000 60.382  ? 157 SER LLL CB   1 
ATOM   5615 O OG   . SER B 2 157 ? -2.492  56.285 22.537  1.000 64.118  ? 157 SER LLL OG   1 
ATOM   5616 H H    . SER B 2 157 ? -4.494  56.188 26.205  1.000 57.858  ? 157 SER LLL H    1 
ATOM   5617 H HA   . SER B 2 157 ? -4.438  54.932 23.864  1.000 57.284  ? 157 SER LLL HA   1 
ATOM   5618 H HB2  . SER B 2 157 ? -4.306  56.988 22.837  1.000 60.963  ? 157 SER LLL HB2  1 
ATOM   5619 H HB3  . SER B 2 157 ? -3.230  57.518 23.886  1.000 62.089  ? 157 SER LLL HB3  1 
ATOM   5620 H HG   . SER B 2 157 ? -2.308  56.925 22.033  0.000 30.000  ? 157 SER LLL HG   1 
ATOM   5621 N N    . GLY B 2 158 ? -2.560  53.690 24.990  1.000 57.375  ? 158 GLY LLL N    1 
ATOM   5622 C CA   . GLY B 2 158 ? -1.373  53.003 25.551  1.000 56.702  ? 158 GLY LLL CA   1 
ATOM   5623 C C    . GLY B 2 158 ? -1.603  52.428 26.950  1.000 55.458  ? 158 GLY LLL C    1 
ATOM   5624 O O    . GLY B 2 158 ? -0.694  51.739 27.424  1.000 54.659  ? 158 GLY LLL O    1 
ATOM   5625 H H    . GLY B 2 158 ? -3.149  53.141 24.565  1.000 55.966  ? 158 GLY LLL H    1 
ATOM   5626 H HA2  . GLY B 2 158 ? -1.115  52.268 24.940  1.000 56.288  ? 158 GLY LLL HA2  1 
ATOM   5627 H HA3  . GLY B 2 158 ? -0.618  53.642 25.584  1.000 58.021  ? 158 GLY LLL HA3  1 
ATOM   5628 N N    . ASN B 2 159 ? -2.781  52.634 27.571  1.000 51.397  ? 159 ASN LLL N    1 
ATOM   5629 C CA   . ASN B 2 159 ? -3.056  52.223 28.976  1.000 48.304  ? 159 ASN LLL CA   1 
ATOM   5630 C C    . ASN B 2 159 ? -4.289  51.291 29.029  1.000 46.439  ? 159 ASN LLL C    1 
ATOM   5631 O O    . ASN B 2 159 ? -4.889  51.126 30.129  1.000 44.388  ? 159 ASN LLL O    1 
ATOM   5632 C CB   . ASN B 2 159 ? -3.189  53.467 29.869  1.000 49.663  ? 159 ASN LLL CB   1 
ATOM   5633 C CG   . ASN B 2 159 ? -4.165  54.510 29.342  1.000 51.354  ? 159 ASN LLL CG   1 
ATOM   5634 O OD1  . ASN B 2 159 ? -4.886  54.286 28.355  1.000 49.671  ? 159 ASN LLL OD1  1 
ATOM   5635 N ND2  . ASN B 2 159 ? -4.215  55.656 30.012  1.000 50.824  ? 159 ASN LLL ND2  1 
ATOM   5636 H H    . ASN B 2 159 ? -3.491  53.025 27.158  1.000 51.308  ? 159 ASN LLL H    1 
ATOM   5637 H HA   . ASN B 2 159 ? -2.277  51.714 29.302  1.000 49.039  ? 159 ASN LLL HA   1 
ATOM   5638 H HB2  . ASN B 2 159 ? -3.479  53.184 30.760  1.000 49.734  ? 159 ASN LLL HB2  1 
ATOM   5639 H HB3  . ASN B 2 159 ? -2.306  53.880 29.960  1.000 51.028  ? 159 ASN LLL HB3  1 
ATOM   5640 H HD21 . ASN B 2 159 ? -4.788  56.275 29.783  0.000 30.000  ? 159 ASN LLL HD21 1 
ATOM   5641 H HD22 . ASN B 2 159 ? -3.728  55.750 30.756  0.000 30.000  ? 159 ASN LLL HD22 1 
ATOM   5642 N N    . SER B 2 160 ? -4.655  50.648 27.920  1.000 44.075  ? 160 SER LLL N    1 
ATOM   5643 C CA   . SER B 2 160 ? -5.780  49.672 27.919  1.000 43.128  ? 160 SER LLL CA   1 
ATOM   5644 C C    . SER B 2 160 ? -5.415  48.392 27.171  1.000 41.124  ? 160 SER LLL C    1 
ATOM   5645 O O    . SER B 2 160 ? -4.530  48.403 26.304  1.000 40.091  ? 160 SER LLL O    1 
ATOM   5646 C CB   . SER B 2 160 ? -7.049  50.270 27.399  1.000 42.812  ? 160 SER LLL CB   1 
ATOM   5647 O OG   . SER B 2 160 ? -6.870  50.733 26.080  1.000 42.610  ? 160 SER LLL OG   1 
ATOM   5648 H H    . SER B 2 160 ? -4.261  50.745 27.104  1.000 44.704  ? 160 SER LLL H    1 
ATOM   5649 H HA   . SER B 2 160 ? -5.939  49.418 28.864  1.000 42.736  ? 160 SER LLL HA   1 
ATOM   5650 H HB2  . SER B 2 160 ? -7.763  49.593 27.417  1.000 41.979  ? 160 SER LLL HB2  1 
ATOM   5651 H HB3  . SER B 2 160 ? -7.321  51.018 27.978  1.000 43.173  ? 160 SER LLL HB3  1 
ATOM   5652 H HG   . SER B 2 160 ? -7.617  51.026 25.821  0.000 30.000  ? 160 SER LLL HG   1 
ATOM   5653 N N    . GLN B 2 161 ? -6.036  47.295 27.562  1.000 41.189  ? 161 GLN LLL N    1 
ATOM   5654 C CA   . GLN B 2 161 ? -5.930  46.032 26.801  1.000 41.606  ? 161 GLN LLL CA   1 
ATOM   5655 C C    . GLN B 2 161 ? -7.337  45.465 26.662  1.000 40.421  ? 161 GLN LLL C    1 
ATOM   5656 O O    . GLN B 2 161 ? -8.204  45.792 27.509  1.000 40.507  ? 161 GLN LLL O    1 
ATOM   5657 C CB   . GLN B 2 161 ? -4.982  45.082 27.511  1.000 40.475  ? 161 GLN LLL CB   1 
ATOM   5658 C CG   . GLN B 2 161 ? -3.598  45.658 27.675  1.000 42.551  ? 161 GLN LLL CG   1 
ATOM   5659 C CD   . GLN B 2 161 ? -2.683  44.628 28.268  1.000 42.540  ? 161 GLN LLL CD   1 
ATOM   5660 O OE1  . GLN B 2 161 ? -2.658  44.415 29.477  1.000 44.290  ? 161 GLN LLL OE1  1 
ATOM   5661 N NE2  . GLN B 2 161 ? -1.942  43.959 27.401  1.000 42.816  ? 161 GLN LLL NE2  1 
ATOM   5662 H H    . GLN B 2 161 ? -6.554  47.249 28.311  1.000 41.156  ? 161 GLN LLL H    1 
ATOM   5663 H HA   . GLN B 2 161 ? -5.577  46.230 25.903  1.000 41.207  ? 161 GLN LLL HA   1 
ATOM   5664 H HB2  . GLN B 2 161 ? -5.351  44.869 28.393  1.000 40.962  ? 161 GLN LLL HB2  1 
ATOM   5665 H HB3  . GLN B 2 161 ? -4.928  44.249 26.996  1.000 40.492  ? 161 GLN LLL HB3  1 
ATOM   5666 H HG2  . GLN B 2 161 ? -3.252  45.943 26.802  1.000 42.427  ? 161 GLN LLL HG2  1 
ATOM   5667 H HG3  . GLN B 2 161 ? -3.633  46.441 28.264  1.000 42.834  ? 161 GLN LLL HG3  1 
ATOM   5668 H HE21 . GLN B 2 161 ? -1.355  43.389 27.675  0.000 30.000  ? 161 GLN LLL HE21 1 
ATOM   5669 H HE22 . GLN B 2 161 ? -1.986  44.200 26.540  0.000 30.000  ? 161 GLN LLL HE22 1 
ATOM   5670 N N    . GLU B 2 162 ? -7.532  44.645 25.643  1.000 37.989  ? 162 GLU LLL N    1 
ATOM   5671 C CA   . GLU B 2 162 ? -8.847  44.036 25.359  1.000 39.560  ? 162 GLU LLL CA   1 
ATOM   5672 C C    . GLU B 2 162 ? -8.637  42.594 24.885  1.000 36.014  ? 162 GLU LLL C    1 
ATOM   5673 O O    . GLU B 2 162 ? -7.525  42.255 24.451  1.000 33.134  ? 162 GLU LLL O    1 
ATOM   5674 C CB   . GLU B 2 162 ? -9.577  44.904 24.332  1.000 41.280  ? 162 GLU LLL CB   1 
ATOM   5675 C CG   . GLU B 2 162 ? -8.892  44.943 22.978  1.000 43.013  ? 162 GLU LLL CG   1 
ATOM   5676 C CD   . GLU B 2 162 ? -9.741  45.613 21.901  1.000 48.003  ? 162 GLU LLL CD   1 
ATOM   5677 O OE1  . GLU B 2 162 ? -10.373 46.671 22.206  1.000 50.640  ? 162 GLU LLL OE1  1 
ATOM   5678 O OE2  . GLU B 2 162 ? -9.804  45.076 20.777  1.000 48.489  ? 162 GLU LLL OE2  1 
ATOM   5679 H H    . GLU B 2 162 ? -6.873  44.411 25.059  1.000 38.923  ? 162 GLU LLL H    1 
ATOM   5680 H HA   . GLU B 2 162 ? -9.367  44.021 26.190  1.000 38.838  ? 162 GLU LLL HA   1 
ATOM   5681 H HB2  . GLU B 2 162 ? -10.487 44.559 24.219  1.000 41.044  ? 162 GLU LLL HB2  1 
ATOM   5682 H HB3  . GLU B 2 162 ? -9.642  45.816 24.683  1.000 41.750  ? 162 GLU LLL HB3  1 
ATOM   5683 H HG2  . GLU B 2 162 ? -8.044  45.429 23.059  1.000 44.070  ? 162 GLU LLL HG2  1 
ATOM   5684 H HG3  . GLU B 2 162 ? -8.686  44.028 22.690  1.000 43.251  ? 162 GLU LLL HG3  1 
ATOM   5685 N N    . SER B 2 163 ? -9.655  41.767 25.024  1.000 34.704  ? 163 SER LLL N    1 
ATOM   5686 C CA   . SER B 2 163 ? -9.686  40.413 24.426  1.000 34.970  ? 163 SER LLL CA   1 
ATOM   5687 C C    . SER B 2 163 ? -11.117 40.123 23.986  1.000 35.019  ? 163 SER LLL C    1 
ATOM   5688 O O    . SER B 2 163 ? -12.057 40.798 24.450  1.000 33.983  ? 163 SER LLL O    1 
ATOM   5689 C CB   . SER B 2 163 ? -9.098  39.374 25.357  1.000 36.166  ? 163 SER LLL CB   1 
ATOM   5690 O OG   . SER B 2 163 ? -9.974  38.999 26.410  1.000 35.151  ? 163 SER LLL OG   1 
ATOM   5691 H H    . SER B 2 163 ? -10.407 41.962 25.500  1.000 35.183  ? 163 SER LLL H    1 
ATOM   5692 H HA   . SER B 2 163 ? -9.123  40.437 23.606  1.000 35.049  ? 163 SER LLL HA   1 
ATOM   5693 H HB2  . SER B 2 163 ? -8.865  38.574 24.834  1.000 35.335  ? 163 SER LLL HB2  1 
ATOM   5694 H HB3  . SER B 2 163 ? -8.266  39.729 25.745  1.000 35.817  ? 163 SER LLL HB3  1 
ATOM   5695 H HG   . SER B 2 163 ? -9.570  38.423 26.873  0.000 30.000  ? 163 SER LLL HG   1 
ATOM   5696 N N    . VAL B 2 164 ? -11.269 39.205 23.053  1.000 37.788  ? 164 VAL LLL N    1 
ATOM   5697 C CA   . VAL B 2 164 ? -12.569 38.913 22.370  1.000 37.667  ? 164 VAL LLL CA   1 
ATOM   5698 C C    . VAL B 2 164 ? -12.868 37.426 22.573  1.000 38.084  ? 164 VAL LLL C    1 
ATOM   5699 O O    . VAL B 2 164 ? -11.912 36.655 22.540  1.000 36.535  ? 164 VAL LLL O    1 
ATOM   5700 C CB   . VAL B 2 164 ? -12.483 39.295 20.889  1.000 38.535  ? 164 VAL LLL CB   1 
ATOM   5701 C CG1  . VAL B 2 164 ? -13.784 39.016 20.165  1.000 39.618  ? 164 VAL LLL CG1  1 
ATOM   5702 C CG2  . VAL B 2 164 ? -12.072 40.742 20.742  1.000 40.192  ? 164 VAL LLL CG2  1 
ATOM   5703 H H    . VAL B 2 164 ? -10.580 38.684 22.761  1.000 36.807  ? 164 VAL LLL H    1 
ATOM   5704 H HA   . VAL B 2 164 ? -13.272 39.436 22.791  1.000 38.175  ? 164 VAL LLL HA   1 
ATOM   5705 H HB   . VAL B 2 164 ? -11.779 38.735 20.477  1.000 38.562  ? 164 VAL LLL HB   1 
ATOM   5706 H HG11 . VAL B 2 164 ? -13.831 38.073 19.933  1.000 39.247  ? 164 VAL LLL HG11 1 
ATOM   5707 H HG12 . VAL B 2 164 ? -13.827 39.549 19.352  1.000 39.661  ? 164 VAL LLL HG12 1 
ATOM   5708 H HG13 . VAL B 2 164 ? -14.533 39.246 20.741  1.000 39.565  ? 164 VAL LLL HG13 1 
ATOM   5709 H HG21 . VAL B 2 164 ? -12.621 41.296 21.323  1.000 39.965  ? 164 VAL LLL HG21 1 
ATOM   5710 H HG22 . VAL B 2 164 ? -12.192 41.024 19.819  1.000 40.037  ? 164 VAL LLL HG22 1 
ATOM   5711 H HG23 . VAL B 2 164 ? -11.136 40.841 20.990  1.000 39.679  ? 164 VAL LLL HG23 1 
ATOM   5712 N N    . THR B 2 165 ? -14.107 37.037 22.883  1.000 36.971  ? 165 THR LLL N    1 
ATOM   5713 C CA   . THR B 2 165 ? -14.463 35.611 23.053  1.000 38.324  ? 165 THR LLL CA   1 
ATOM   5714 C C    . THR B 2 165 ? -14.532 34.973 21.665  1.000 41.001  ? 165 THR LLL C    1 
ATOM   5715 O O    . THR B 2 165 ? -14.556 35.733 20.656  1.000 41.437  ? 165 THR LLL O    1 
ATOM   5716 C CB   . THR B 2 165 ? -15.805 35.400 23.743  1.000 37.741  ? 165 THR LLL CB   1 
ATOM   5717 O OG1  . THR B 2 165 ? -16.752 36.103 22.940  1.000 40.643  ? 165 THR LLL OG1  1 
ATOM   5718 C CG2  . THR B 2 165 ? -15.808 35.878 25.169  1.000 39.505  ? 165 THR LLL CG2  1 
ATOM   5719 H H    . THR B 2 165 ? -14.809 37.604 23.009  1.000 37.875  ? 165 THR LLL H    1 
ATOM   5720 H HA   . THR B 2 165 ? -13.756 35.169 23.577  1.000 38.154  ? 165 THR LLL HA   1 
ATOM   5721 H HB   . THR B 2 165 ? -16.020 34.436 23.727  1.000 38.922  ? 165 THR LLL HB   1 
ATOM   5722 H HG1  . THR B 2 165 ? -17.530 36.020 23.266  0.000 30.000  ? 165 THR LLL HG1  1 
ATOM   5723 H HG21 . THR B 2 165 ? -15.157 35.368 25.685  1.000 38.887  ? 165 THR LLL HG21 1 
ATOM   5724 H HG22 . THR B 2 165 ? -16.694 35.753 25.553  1.000 39.484  ? 165 THR LLL HG22 1 
ATOM   5725 H HG23 . THR B 2 165 ? -15.574 36.822 25.195  1.000 38.868  ? 165 THR LLL HG23 1 
ATOM   5726 N N    . GLU B 2 166 ? -14.571 33.642 21.637  1.000 42.283  ? 166 GLU LLL N    1 
ATOM   5727 C CA   . GLU B 2 166 ? -14.921 32.853 20.430  1.000 45.468  ? 166 GLU LLL CA   1 
ATOM   5728 C C    . GLU B 2 166 ? -16.403 33.090 20.130  1.000 42.268  ? 166 GLU LLL C    1 
ATOM   5729 O O    . GLU B 2 166 ? -17.184 33.444 21.070  1.000 39.228  ? 166 GLU LLL O    1 
ATOM   5730 C CB   . GLU B 2 166 ? -14.638 31.360 20.636  1.000 48.877  ? 166 GLU LLL CB   1 
ATOM   5731 C CG   . GLU B 2 166 ? -13.162 31.068 20.854  1.000 56.620  ? 166 GLU LLL CG   1 
ATOM   5732 C CD   . GLU B 2 166 ? -12.239 31.290 19.658  1.000 62.812  ? 166 GLU LLL CD   1 
ATOM   5733 O OE1  . GLU B 2 166 ? -12.165 32.437 19.135  1.000 69.858  ? 166 GLU LLL OE1  1 
ATOM   5734 O OE2  . GLU B 2 166 ? -11.556 30.318 19.266  1.000 71.579  ? 166 GLU LLL OE2  1 
ATOM   5735 H H    . GLU B 2 166 ? -14.394 33.133 22.372  1.000 42.742  ? 166 GLU LLL H    1 
ATOM   5736 H HA   . GLU B 2 166 ? -14.388 33.184 19.673  1.000 44.523  ? 166 GLU LLL HA   1 
ATOM   5737 H HB2  . GLU B 2 166 ? -15.146 31.047 21.413  1.000 50.196  ? 166 GLU LLL HB2  1 
ATOM   5738 H HB3  . GLU B 2 166 ? -14.950 30.868 19.849  1.000 50.071  ? 166 GLU LLL HB3  1 
ATOM   5739 H HG2  . GLU B 2 166 ? -12.839 31.626 21.593  1.000 55.731  ? 166 GLU LLL HG2  1 
ATOM   5740 H HG3  . GLU B 2 166 ? -13.070 30.133 21.138  1.000 56.068  ? 166 GLU LLL HG3  1 
ATOM   5741 N N    . GLN B 2 167 ? -16.762 32.845 18.880  1.000 39.336  ? 167 GLN LLL N    1 
ATOM   5742 C CA   . GLN B 2 167 ? -18.146 32.893 18.382  1.000 40.066  ? 167 GLN LLL CA   1 
ATOM   5743 C C    . GLN B 2 167 ? -19.014 32.012 19.281  1.000 39.772  ? 167 GLN LLL C    1 
ATOM   5744 O O    . GLN B 2 167 ? -18.709 30.874 19.480  1.000 41.554  ? 167 GLN LLL O    1 
ATOM   5745 C CB   . GLN B 2 167 ? -18.155 32.541 16.896  1.000 38.624  ? 167 GLN LLL CB   1 
ATOM   5746 C CG   . GLN B 2 167 ? -19.351 33.147 16.197  1.000 39.820  ? 167 GLN LLL CG   1 
ATOM   5747 C CD   . GLN B 2 167 ? -19.355 33.068 14.691  1.000 39.437  ? 167 GLN LLL CD   1 
ATOM   5748 O OE1  . GLN B 2 167 ? -18.696 32.232 14.075  1.000 38.895  ? 167 GLN LLL OE1  1 
ATOM   5749 N NE2  . GLN B 2 167 ? -20.149 33.934 14.088  1.000 37.770  ? 167 GLN LLL NE2  1 
ATOM   5750 H H    . GLN B 2 167 ? -16.153 32.619 18.241  1.000 39.780  ? 167 GLN LLL H    1 
ATOM   5751 H HA   . GLN B 2 167 ? -18.459 33.821 18.476  1.000 39.688  ? 167 GLN LLL HA   1 
ATOM   5752 H HB2  . GLN B 2 167 ? -17.332 32.875 16.482  1.000 38.603  ? 167 GLN LLL HB2  1 
ATOM   5753 H HB3  . GLN B 2 167 ? -18.176 31.567 16.799  1.000 39.213  ? 167 GLN LLL HB3  1 
ATOM   5754 H HG2  . GLN B 2 167 ? -20.157 32.701 16.528  1.000 40.158  ? 167 GLN LLL HG2  1 
ATOM   5755 H HG3  . GLN B 2 167 ? -19.417 34.091 16.454  1.000 39.485  ? 167 GLN LLL HG3  1 
ATOM   5756 H HE21 . GLN B 2 167 ? -20.229 33.931 13.227  0.000 30.000  ? 167 GLN LLL HE21 1 
ATOM   5757 H HE22 . GLN B 2 167 ? -20.628 34.501 14.590  0.000 30.000  ? 167 GLN LLL HE22 1 
ATOM   5758 N N    . ASP B 2 168 ? -20.056 32.562 19.851  1.000 39.233  ? 168 ASP LLL N    1 
ATOM   5759 C CA   . ASP B 2 168 ? -20.944 31.855 20.780  1.000 43.560  ? 168 ASP LLL CA   1 
ATOM   5760 C C    . ASP B 2 168 ? -21.668 30.731 20.009  1.000 50.337  ? 168 ASP LLL C    1 
ATOM   5761 O O    . ASP B 2 168 ? -22.144 30.988 18.889  1.000 49.057  ? 168 ASP LLL O    1 
ATOM   5762 C CB   . ASP B 2 168 ? -21.979 32.821 21.312  1.000 45.472  ? 168 ASP LLL CB   1 
ATOM   5763 C CG   . ASP B 2 168 ? -22.811 32.184 22.389  1.000 48.512  ? 168 ASP LLL CG   1 
ATOM   5764 O OD1  . ASP B 2 168 ? -22.297 32.142 23.513  1.000 53.673  ? 168 ASP LLL OD1  1 
ATOM   5765 O OD2  . ASP B 2 168 ? -23.963 31.736 22.087  1.000 50.373  ? 168 ASP LLL OD2  1 
ATOM   5766 H H    . ASP B 2 168 ? -20.297 33.428 19.699  1.000 40.392  ? 168 ASP LLL H    1 
ATOM   5767 H HA   . ASP B 2 168 ? -20.417 31.474 21.521  1.000 43.788  ? 168 ASP LLL HA   1 
ATOM   5768 H HB2  . ASP B 2 168 ? -21.536 33.613 21.679  1.000 45.068  ? 168 ASP LLL HB2  1 
ATOM   5769 H HB3  . ASP B 2 168 ? -22.565 33.102 20.582  1.000 46.148  ? 168 ASP LLL HB3  1 
ATOM   5770 N N    . SER B 2 169 ? -21.757 29.530 20.571  1.000 49.878  ? 169 SER LLL N    1 
ATOM   5771 C CA   . SER B 2 169 ? -22.275 28.358 19.828  1.000 54.973  ? 169 SER LLL CA   1 
ATOM   5772 C C    . SER B 2 169 ? -23.799 28.451 19.761  1.000 57.100  ? 169 SER LLL C    1 
ATOM   5773 O O    . SER B 2 169 ? -24.329 27.886 18.836  1.000 64.415  ? 169 SER LLL O    1 
ATOM   5774 C CB   . SER B 2 169 ? -21.792 27.061 20.418  1.000 56.420  ? 169 SER LLL CB   1 
ATOM   5775 O OG   . SER B 2 169 ? -22.144 26.959 21.798  1.000 59.508  ? 169 SER LLL OG   1 
ATOM   5776 H H    . SER B 2 169 ? -21.517 29.338 21.429  1.000 50.903  ? 169 SER LLL H    1 
ATOM   5777 H HA   . SER B 2 169 ? -21.928 28.416 18.897  1.000 54.185  ? 169 SER LLL HA   1 
ATOM   5778 H HB2  . SER B 2 169 ? -22.192 26.312 19.924  1.000 57.438  ? 169 SER LLL HB2  1 
ATOM   5779 H HB3  . SER B 2 169 ? -20.814 27.003 20.323  1.000 55.753  ? 169 SER LLL HB3  1 
ATOM   5780 H HG   . SER B 2 169 ? -21.880 26.221 22.067  0.000 30.000  ? 169 SER LLL HG   1 
ATOM   5781 N N    . LYS B 2 170 ? -24.458 29.170 20.677  1.000 54.899  ? 170 LYS LLL N    1 
ATOM   5782 C CA   . LYS B 2 170 ? -25.933 29.359 20.673  1.000 56.876  ? 170 LYS LLL CA   1 
ATOM   5783 C C    . LYS B 2 170 ? -26.346 30.517 19.732  1.000 55.198  ? 170 LYS LLL C    1 
ATOM   5784 O O    . LYS B 2 170 ? -27.247 30.284 18.929  1.000 54.718  ? 170 LYS LLL O    1 
ATOM   5785 C CB   . LYS B 2 170 ? -26.467 29.540 22.100  1.000 59.129  ? 170 LYS LLL CB   1 
ATOM   5786 C CG   . LYS B 2 170 ? -27.979 29.470 22.225  1.000 63.837  ? 170 LYS LLL CG   1 
ATOM   5787 C CD   . LYS B 2 170 ? -28.521 29.474 23.643  1.000 65.924  ? 170 LYS LLL CD   1 
ATOM   5788 C CE   . LYS B 2 170 ? -29.839 28.729 23.721  1.000 72.538  ? 170 LYS LLL CE   1 
ATOM   5789 N NZ   . LYS B 2 170 ? -30.579 28.943 25.000  1.000 76.419  ? 170 LYS LLL NZ   1 
ATOM   5790 H H    . LYS B 2 170 ? -24.039 29.587 21.369  1.000 54.934  ? 170 LYS LLL H    1 
ATOM   5791 H HA   . LYS B 2 170 ? -26.330 28.532 20.313  1.000 57.686  ? 170 LYS LLL HA   1 
ATOM   5792 H HB2  . LYS B 2 170 ? -26.074 28.845 22.670  1.000 59.268  ? 170 LYS LLL HB2  1 
ATOM   5793 H HB3  . LYS B 2 170 ? -26.167 30.409 22.438  1.000 58.588  ? 170 LYS LLL HB3  1 
ATOM   5794 H HG2  . LYS B 2 170 ? -28.364 30.233 21.743  1.000 63.573  ? 170 LYS LLL HG2  1 
ATOM   5795 H HG3  . LYS B 2 170 ? -28.287 28.654 21.775  1.000 64.313  ? 170 LYS LLL HG3  1 
ATOM   5796 H HD2  . LYS B 2 170 ? -27.871 29.048 24.242  1.000 66.062  ? 170 LYS LLL HD2  1 
ATOM   5797 H HD3  . LYS B 2 170 ? -28.654 30.400 23.939  1.000 66.298  ? 170 LYS LLL HD3  1 
ATOM   5798 H HE2  . LYS B 2 170 ? -30.410 29.014 22.983  1.000 72.675  ? 170 LYS LLL HE2  1 
ATOM   5799 H HE3  . LYS B 2 170 ? -29.673 27.776 23.613  1.000 72.461  ? 170 LYS LLL HE3  1 
ATOM   5800 H HZ1  . LYS B 2 170 ? -30.051 28.717 25.702  1.000 75.080  ? 170 LYS LLL HZ1  1 
ATOM   5801 H HZ2  . LYS B 2 170 ? -31.326 28.429 25.012  1.000 76.997  ? 170 LYS LLL HZ2  1 
ATOM   5802 H HZ3  . LYS B 2 170 ? -30.816 29.815 25.075  1.000 75.345  ? 170 LYS LLL HZ3  1 
ATOM   5803 N N    . ASP B 2 171 ? -25.738 31.716 19.782  1.000 49.925  ? 171 ASP LLL N    1 
ATOM   5804 C CA   . ASP B 2 171 ? -26.246 32.868 18.980  1.000 47.995  ? 171 ASP LLL CA   1 
ATOM   5805 C C    . ASP B 2 171 ? -25.225 33.368 17.942  1.000 45.393  ? 171 ASP LLL C    1 
ATOM   5806 O O    . ASP B 2 171 ? -25.543 34.361 17.258  1.000 44.414  ? 171 ASP LLL O    1 
ATOM   5807 C CB   . ASP B 2 171 ? -26.745 33.998 19.894  1.000 46.388  ? 171 ASP LLL CB   1 
ATOM   5808 C CG   . ASP B 2 171 ? -25.683 34.686 20.759  1.000 46.045  ? 171 ASP LLL CG   1 
ATOM   5809 O OD1  . ASP B 2 171 ? -24.485 34.586 20.475  1.000 42.486  ? 171 ASP LLL OD1  1 
ATOM   5810 O OD2  . ASP B 2 171 ? -26.070 35.391 21.684  1.000 50.606  ? 171 ASP LLL OD2  1 
ATOM   5811 H H    . ASP B 2 171 ? -25.009 31.894 20.298  1.000 49.320  ? 171 ASP LLL H    1 
ATOM   5812 H HA   . ASP B 2 171 ? -27.032 32.549 18.480  1.000 48.943  ? 171 ASP LLL HA   1 
ATOM   5813 H HB2  . ASP B 2 171 ? -27.170 34.683 19.338  1.000 47.495  ? 171 ASP LLL HB2  1 
ATOM   5814 H HB3  . ASP B 2 171 ? -27.428 33.632 20.493  1.000 47.861  ? 171 ASP LLL HB3  1 
ATOM   5815 N N    . SER B 2 172 ? -24.035 32.763 17.846  1.000 43.984  ? 172 SER LLL N    1 
ATOM   5816 C CA   . SER B 2 172 ? -22.981 33.132 16.863  1.000 43.504  ? 172 SER LLL CA   1 
ATOM   5817 C C    . SER B 2 172 ? -22.520 34.594 17.044  1.000 43.890  ? 172 SER LLL C    1 
ATOM   5818 O O    . SER B 2 172 ? -22.072 35.230 16.064  1.000 42.214  ? 172 SER LLL O    1 
ATOM   5819 C CB   . SER B 2 172 ? -23.451 32.874 15.446  1.000 45.140  ? 172 SER LLL CB   1 
ATOM   5820 O OG   . SER B 2 172 ? -23.990 31.566 15.332  1.000 45.265  ? 172 SER LLL OG   1 
ATOM   5821 H H    . SER B 2 172 ? -23.780 32.071 18.378  1.000 43.938  ? 172 SER LLL H    1 
ATOM   5822 H HA   . SER B 2 172 ? -22.198 32.548 17.033  1.000 43.047  ? 172 SER LLL HA   1 
ATOM   5823 H HB2  . SER B 2 172 ? -24.136 33.535 15.201  1.000 45.535  ? 172 SER LLL HB2  1 
ATOM   5824 H HB3  . SER B 2 172 ? -22.693 32.972 14.826  1.000 44.279  ? 172 SER LLL HB3  1 
ATOM   5825 H HG   . SER B 2 172 ? -24.259 31.457 14.542  0.000 30.000  ? 172 SER LLL HG   1 
ATOM   5826 N N    . THR B 2 173 ? -22.572 35.120 18.265  1.000 42.928  ? 173 THR LLL N    1 
ATOM   5827 C CA   . THR B 2 173 ? -22.049 36.474 18.551  1.000 40.689  ? 173 THR LLL CA   1 
ATOM   5828 C C    . THR B 2 173 ? -20.672 36.368 19.208  1.000 39.040  ? 173 THR LLL C    1 
ATOM   5829 O O    . THR B 2 173 ? -20.255 35.255 19.660  1.000 36.482  ? 173 THR LLL O    1 
ATOM   5830 C CB   . THR B 2 173 ? -23.026 37.324 19.379  1.000 39.977  ? 173 THR LLL CB   1 
ATOM   5831 O OG1  . THR B 2 173 ? -23.358 36.711 20.621  1.000 39.396  ? 173 THR LLL OG1  1 
ATOM   5832 C CG2  . THR B 2 173 ? -24.314 37.593 18.645  1.000 41.448  ? 173 THR LLL CG2  1 
ATOM   5833 H H    . THR B 2 173 ? -22.917 34.704 18.996  1.000 42.878  ? 173 THR LLL H    1 
ATOM   5834 H HA   . THR B 2 173 ? -21.929 36.928 17.685  1.000 40.807  ? 173 THR LLL HA   1 
ATOM   5835 H HB   . THR B 2 173 ? -22.590 38.187 19.565  1.000 39.671  ? 173 THR LLL HB   1 
ATOM   5836 H HG1  . THR B 2 173 ? -23.906 37.216 21.038  0.000 30.000  ? 173 THR LLL HG1  1 
ATOM   5837 H HG21 . THR B 2 173 ? -24.122 38.048 17.805  1.000 41.510  ? 173 THR LLL HG21 1 
ATOM   5838 H HG22 . THR B 2 173 ? -24.890 38.155 19.193  1.000 41.798  ? 173 THR LLL HG22 1 
ATOM   5839 H HG23 . THR B 2 173 ? -24.766 36.750 18.459  1.000 41.964  ? 173 THR LLL HG23 1 
ATOM   5840 N N    . TYR B 2 174 ? -20.001 37.517 19.218  1.000 36.701  ? 174 TYR LLL N    1 
ATOM   5841 C CA   . TYR B 2 174 ? -18.796 37.811 20.002  1.000 36.451  ? 174 TYR LLL CA   1 
ATOM   5842 C C    . TYR B 2 174 ? -19.133 38.768 21.148  1.000 37.817  ? 174 TYR LLL C    1 
ATOM   5843 O O    . TYR B 2 174 ? -20.153 39.460 21.165  1.000 37.124  ? 174 TYR LLL O    1 
ATOM   5844 C CB   . TYR B 2 174 ? -17.759 38.436 19.077  1.000 37.298  ? 174 TYR LLL CB   1 
ATOM   5845 C CG   . TYR B 2 174 ? -17.457 37.595 17.857  1.000 36.587  ? 174 TYR LLL CG   1 
ATOM   5846 C CD1  . TYR B 2 174 ? -16.478 36.615 17.908  1.000 36.384  ? 174 TYR LLL CD1  1 
ATOM   5847 C CD2  . TYR B 2 174 ? -18.150 37.761 16.673  1.000 38.116  ? 174 TYR LLL CD2  1 
ATOM   5848 C CE1  . TYR B 2 174 ? -16.157 35.854 16.795  1.000 37.133  ? 174 TYR LLL CE1  1 
ATOM   5849 C CE2  . TYR B 2 174 ? -17.870 36.977 15.554  1.000 38.586  ? 174 TYR LLL CE2  1 
ATOM   5850 C CZ   . TYR B 2 174 ? -16.850 36.041 15.616  1.000 37.499  ? 174 TYR LLL CZ   1 
ATOM   5851 O OH   . TYR B 2 174 ? -16.545 35.265 14.541  1.000 37.942  ? 174 TYR LLL OH   1 
ATOM   5852 H H    . TYR B 2 174 ? -20.259 38.233 18.716  1.000 37.649  ? 174 TYR LLL H    1 
ATOM   5853 H HA   . TYR B 2 174 ? -18.435 36.968 20.377  1.000 36.466  ? 174 TYR LLL HA   1 
ATOM   5854 H HB2  . TYR B 2 174 ? -18.086 39.314 18.788  1.000 37.219  ? 174 TYR LLL HB2  1 
ATOM   5855 H HB3  . TYR B 2 174 ? -16.931 38.574 19.584  1.000 36.320  ? 174 TYR LLL HB3  1 
ATOM   5856 H HD1  . TYR B 2 174 ? -15.982 36.501 18.700  1.000 36.044  ? 174 TYR LLL HD1  1 
ATOM   5857 H HD2  . TYR B 2 174 ? -18.830 38.412 16.622  1.000 38.570  ? 174 TYR LLL HD2  1 
ATOM   5858 H HE1  . TYR B 2 174 ? -15.480 35.202 16.848  1.000 36.527  ? 174 TYR LLL HE1  1 
ATOM   5859 H HE2  . TYR B 2 174 ? -18.338 37.115 14.748  1.000 39.073  ? 174 TYR LLL HE2  1 
ATOM   5860 H HH   . TYR B 2 174 ? -16.663 34.442 14.749  0.000 30.000  ? 174 TYR LLL HH   1 
ATOM   5861 N N    . SER B 2 175 ? -18.232 38.783 22.118  1.000 37.371  ? 175 SER LLL N    1 
ATOM   5862 C CA   . SER B 2 175 ? -18.166 39.751 23.229  1.000 36.494  ? 175 SER LLL CA   1 
ATOM   5863 C C    . SER B 2 175 ? -16.702 40.179 23.379  1.000 35.456  ? 175 SER LLL C    1 
ATOM   5864 O O    . SER B 2 175 ? -15.792 39.417 22.975  1.000 33.741  ? 175 SER LLL O    1 
ATOM   5865 C CB   . SER B 2 175 ? -18.732 39.140 24.491  1.000 38.956  ? 175 SER LLL CB   1 
ATOM   5866 O OG   . SER B 2 175 ? -20.113 38.819 24.341  1.000 38.278  ? 175 SER LLL OG   1 
ATOM   5867 H H    . SER B 2 175 ? -17.564 38.164 22.170  1.000 36.724  ? 175 SER LLL H    1 
ATOM   5868 H HA   . SER B 2 175 ? -18.706 40.546 22.985  1.000 37.333  ? 175 SER LLL HA   1 
ATOM   5869 H HB2  . SER B 2 175 ? -18.229 38.324 24.710  1.000 37.814  ? 175 SER LLL HB2  1 
ATOM   5870 H HB3  . SER B 2 175 ? -18.623 39.774 25.235  1.000 38.094  ? 175 SER LLL HB3  1 
ATOM   5871 H HG   . SER B 2 175 ? -20.396 38.470 25.062  0.000 30.000  ? 175 SER LLL HG   1 
ATOM   5872 N N    . LEU B 2 176 ? -16.491 41.376 23.913  1.000 34.284  ? 176 LEU LLL N    1 
ATOM   5873 C CA   . LEU B 2 176 ? -15.173 42.014 24.054  1.000 35.271  ? 176 LEU LLL CA   1 
ATOM   5874 C C    . LEU B 2 176 ? -15.118 42.647 25.454  1.000 34.366  ? 176 LEU LLL C    1 
ATOM   5875 O O    . LEU B 2 176 ? -16.137 43.210 25.928  1.000 34.803  ? 176 LEU LLL O    1 
ATOM   5876 C CB   . LEU B 2 176 ? -15.054 43.019 22.906  1.000 36.088  ? 176 LEU LLL CB   1 
ATOM   5877 C CG   . LEU B 2 176 ? -13.727 43.763 22.779  1.000 38.649  ? 176 LEU LLL CG   1 
ATOM   5878 C CD1  . LEU B 2 176 ? -13.489 44.253 21.354  1.000 38.575  ? 176 LEU LLL CD1  1 
ATOM   5879 C CD2  . LEU B 2 176 ? -13.661 44.918 23.756  1.000 40.294  ? 176 LEU LLL CD2  1 
ATOM   5880 H H    . LEU B 2 176 ? -17.174 41.890 24.229  1.000 35.230  ? 176 LEU LLL H    1 
ATOM   5881 H HA   . LEU B 2 176 ? -14.473 41.328 23.977  1.000 34.574  ? 176 LEU LLL HA   1 
ATOM   5882 H HB2  . LEU B 2 176 ? -15.217 42.540 22.069  1.000 36.539  ? 176 LEU LLL HB2  1 
ATOM   5883 H HB3  . LEU B 2 176 ? -15.768 43.679 23.004  1.000 36.942  ? 176 LEU LLL HB3  1 
ATOM   5884 H HG   . LEU B 2 176 ? -13.001 43.131 23.008  1.000 37.952  ? 176 LEU LLL HG   1 
ATOM   5885 H HD11 . LEU B 2 176 ? -13.517 43.497 20.742  1.000 38.512  ? 176 LEU LLL HD11 1 
ATOM   5886 H HD12 . LEU B 2 176 ? -12.617 44.682 21.298  1.000 38.802  ? 176 LEU LLL HD12 1 
ATOM   5887 H HD13 . LEU B 2 176 ? -14.180 44.892 21.111  1.000 39.140  ? 176 LEU LLL HD13 1 
ATOM   5888 H HD21 . LEU B 2 176 ? -14.550 45.295 23.878  1.000 40.136  ? 176 LEU LLL HD21 1 
ATOM   5889 H HD22 . LEU B 2 176 ? -13.064 45.603 23.410  1.000 40.131  ? 176 LEU LLL HD22 1 
ATOM   5890 H HD23 . LEU B 2 176 ? -13.325 44.601 24.611  1.000 39.676  ? 176 LEU LLL HD23 1 
ATOM   5891 N N    . SER B 2 177 ? -14.004 42.497 26.132  1.000 33.955  ? 177 SER LLL N    1 
ATOM   5892 C CA   . SER B 2 177 ? -13.713 43.132 27.440  1.000 35.911  ? 177 SER LLL CA   1 
ATOM   5893 C C    . SER B 2 177 ? -12.487 43.992 27.226  1.000 37.579  ? 177 SER LLL C    1 
ATOM   5894 O O    . SER B 2 177 ? -11.461 43.454 26.721  1.000 36.656  ? 177 SER LLL O    1 
ATOM   5895 C CB   . SER B 2 177 ? -13.464 42.114 28.513  1.000 37.867  ? 177 SER LLL CB   1 
ATOM   5896 O OG   . SER B 2 177 ? -13.124 42.734 29.755  1.000 39.056  ? 177 SER LLL OG   1 
ATOM   5897 H H    . SER B 2 177 ? -13.314 41.977 25.842  1.000 34.130  ? 177 SER LLL H    1 
ATOM   5898 H HA   . SER B 2 177 ? -14.479 43.708 27.701  1.000 36.534  ? 177 SER LLL HA   1 
ATOM   5899 H HB2  . SER B 2 177 ? -14.271 41.565 28.633  1.000 37.625  ? 177 SER LLL HB2  1 
ATOM   5900 H HB3  . SER B 2 177 ? -12.730 41.521 28.233  1.000 37.301  ? 177 SER LLL HB3  1 
ATOM   5901 H HG   . SER B 2 177 ? -12.993 42.108 30.314  0.000 30.000  ? 177 SER LLL HG   1 
ATOM   5902 N N    . SER B 2 178 ? -12.604 45.270 27.556  1.000 38.102  ? 178 SER LLL N    1 
ATOM   5903 C CA   . SER B 2 178 ? -11.467 46.217 27.582  1.000 39.625  ? 178 SER LLL CA   1 
ATOM   5904 C C    . SER B 2 178 ? -11.220 46.682 29.020  1.000 38.685  ? 178 SER LLL C    1 
ATOM   5905 O O    . SER B 2 178 ? -12.203 47.028 29.712  1.000 37.255  ? 178 SER LLL O    1 
ATOM   5906 C CB   . SER B 2 178 ? -11.736 47.391 26.668  1.000 39.787  ? 178 SER LLL CB   1 
ATOM   5907 O OG   . SER B 2 178 ? -10.572 48.196 26.590  1.000 42.328  ? 178 SER LLL OG   1 
ATOM   5908 H H    . SER B 2 178 ? -13.392 45.663 27.790  1.000 38.543  ? 178 SER LLL H    1 
ATOM   5909 H HA   . SER B 2 178 ? -10.657 45.742 27.260  1.000 38.899  ? 178 SER LLL HA   1 
ATOM   5910 H HB2  . SER B 2 178 ? -11.977 47.065 25.772  1.000 40.088  ? 178 SER LLL HB2  1 
ATOM   5911 H HB3  . SER B 2 178 ? -12.486 47.922 27.020  1.000 40.542  ? 178 SER LLL HB3  1 
ATOM   5912 H HG   . SER B 2 178 ? -10.737 48.864 26.081  0.000 30.000  ? 178 SER LLL HG   1 
ATOM   5913 N N    . THR B 2 179 ? -9.960  46.700 29.441  1.000 36.559  ? 179 THR LLL N    1 
ATOM   5914 C CA   . THR B 2 179 ? -9.533  47.221 30.762  1.000 39.052  ? 179 THR LLL CA   1 
ATOM   5915 C C    . THR B 2 179 ? -8.626  48.433 30.572  1.000 38.721  ? 179 THR LLL C    1 
ATOM   5916 O O    . THR B 2 179 ? -7.593  48.298 29.886  1.000 38.766  ? 179 THR LLL O    1 
ATOM   5917 C CB   . THR B 2 179 ? -8.822  46.154 31.604  1.000 40.069  ? 179 THR LLL CB   1 
ATOM   5918 O OG1  . THR B 2 179 ? -9.646  44.989 31.576  1.000 41.919  ? 179 THR LLL OG1  1 
ATOM   5919 C CG2  . THR B 2 179 ? -8.573  46.588 33.038  1.000 40.945  ? 179 THR LLL CG2  1 
ATOM   5920 H H    . THR B 2 179 ? -9.261  46.391 28.944  1.000 37.425  ? 179 THR LLL H    1 
ATOM   5921 H HA   . THR B 2 179 ? -10.338 47.507 31.247  1.000 38.774  ? 179 THR LLL HA   1 
ATOM   5922 H HB   . THR B 2 179 ? -7.956  45.945 31.177  1.000 40.325  ? 179 THR LLL HB   1 
ATOM   5923 H HG1  . THR B 2 179 ? -9.278  44.372 32.028  0.000 30.000  ? 179 THR LLL HG1  1 
ATOM   5924 H HG21 . THR B 2 179 ? -7.840  47.229 33.063  1.000 41.457  ? 179 THR LLL HG21 1 
ATOM   5925 H HG22 . THR B 2 179 ? -8.342  45.811 33.578  1.000 41.007  ? 179 THR LLL HG22 1 
ATOM   5926 H HG23 . THR B 2 179 ? -9.378  47.003 33.397  1.000 41.041  ? 179 THR LLL HG23 1 
ATOM   5927 N N    . LEU B 2 180 ? -9.004  49.548 31.188  1.000 40.844  ? 180 LEU LLL N    1 
ATOM   5928 C CA   . LEU B 2 180 ? -8.147  50.741 31.396  1.000 41.727  ? 180 LEU LLL CA   1 
ATOM   5929 C C    . LEU B 2 180 ? -7.521  50.640 32.792  1.000 42.992  ? 180 LEU LLL C    1 
ATOM   5930 O O    . LEU B 2 180 ? -8.276  50.558 33.785  1.000 40.933  ? 180 LEU LLL O    1 
ATOM   5931 C CB   . LEU B 2 180 ? -9.007  52.000 31.239  1.000 43.164  ? 180 LEU LLL CB   1 
ATOM   5932 C CG   . LEU B 2 180 ? -8.295  53.343 31.443  1.000 45.135  ? 180 LEU LLL CG   1 
ATOM   5933 C CD1  . LEU B 2 180 ? -7.392  53.683 30.262  1.000 46.941  ? 180 LEU LLL CD1  1 
ATOM   5934 C CD2  . LEU B 2 180 ? -9.289  54.462 31.665  1.000 46.200  ? 180 LEU LLL CD2  1 
ATOM   5935 H H    . LEU B 2 180 ? -9.842  49.647 31.532  1.000 40.364  ? 180 LEU LLL H    1 
ATOM   5936 H HA   . LEU B 2 180 ? -7.432  50.741 30.720  1.000 42.156  ? 180 LEU LLL HA   1 
ATOM   5937 H HB2  . LEU B 2 180 ? -9.395  51.992 30.341  1.000 42.721  ? 180 LEU LLL HB2  1 
ATOM   5938 H HB3  . LEU B 2 180 ? -9.747  51.945 31.876  1.000 42.967  ? 180 LEU LLL HB3  1 
ATOM   5939 H HG   . LEU B 2 180 ? -7.730  53.274 32.250  1.000 45.816  ? 180 LEU LLL HG   1 
ATOM   5940 H HD11 . LEU B 2 180 ? -6.734  52.977 30.143  1.000 46.277  ? 180 LEU LLL HD11 1 
ATOM   5941 H HD12 . LEU B 2 180 ? -6.936  54.525 30.434  1.000 47.435  ? 180 LEU LLL HD12 1 
ATOM   5942 H HD13 . LEU B 2 180 ? -7.929  53.764 29.455  1.000 46.178  ? 180 LEU LLL HD13 1 
ATOM   5943 H HD21 . LEU B 2 180 ? -9.874  54.537 30.891  1.000 45.667  ? 180 LEU LLL HD21 1 
ATOM   5944 H HD22 . LEU B 2 180 ? -8.812  55.301 31.793  1.000 46.872  ? 180 LEU LLL HD22 1 
ATOM   5945 H HD23 . LEU B 2 180 ? -9.823  54.271 32.456  1.000 45.856  ? 180 LEU LLL HD23 1 
ATOM   5946 N N    . THR B 2 181 ? -6.191  50.658 32.872  1.000 42.389  ? 181 THR LLL N    1 
ATOM   5947 C CA   . THR B 2 181 ? -5.470  50.597 34.159  1.000 44.610  ? 181 THR LLL CA   1 
ATOM   5948 C C    . THR B 2 181 ? -4.758  51.938 34.405  1.000 47.180  ? 181 THR LLL C    1 
ATOM   5949 O O    . THR B 2 181 ? -4.024  52.413 33.521  1.000 46.010  ? 181 THR LLL O    1 
ATOM   5950 C CB   . THR B 2 181 ? -4.588  49.349 34.193  1.000 45.127  ? 181 THR LLL CB   1 
ATOM   5951 O OG1  . THR B 2 181 ? -5.437  48.261 33.831  1.000 44.232  ? 181 THR LLL OG1  1 
ATOM   5952 C CG2  . THR B 2 181 ? -3.925  49.126 35.539  1.000 45.907  ? 181 THR LLL CG2  1 
ATOM   5953 H H    . THR B 2 181 ? -5.636  50.709 32.152  1.000 43.038  ? 181 THR LLL H    1 
ATOM   5954 H HA   . THR B 2 181 ? -6.147  50.490 34.864  1.000 44.625  ? 181 THR LLL HA   1 
ATOM   5955 H HB   . THR B 2 181 ? -3.886  49.448 33.506  1.000 45.156  ? 181 THR LLL HB   1 
ATOM   5956 H HG1  . THR B 2 181 ? -5.000  47.539 33.824  0.000 30.000  ? 181 THR LLL HG1  1 
ATOM   5957 H HG21 . THR B 2 181 ? -3.244  49.807 35.684  1.000 46.934  ? 181 THR LLL HG21 1 
ATOM   5958 H HG22 . THR B 2 181 ? -3.509  48.245 35.555  1.000 45.826  ? 181 THR LLL HG22 1 
ATOM   5959 H HG23 . THR B 2 181 ? -4.594  49.181 36.245  1.000 46.039  ? 181 THR LLL HG23 1 
ATOM   5960 N N    . LEU B 2 182 ? -5.060  52.555 35.547  1.000 47.874  ? 182 LEU LLL N    1 
ATOM   5961 C CA   . LEU B 2 182 ? -4.396  53.764 36.071  1.000 50.900  ? 182 LEU LLL CA   1 
ATOM   5962 C C    . LEU B 2 182 ? -3.968  53.515 37.511  1.000 50.572  ? 182 LEU LLL C    1 
ATOM   5963 O O    . LEU B 2 182 ? -4.613  52.711 38.201  1.000 48.808  ? 182 LEU LLL O    1 
ATOM   5964 C CB   . LEU B 2 182 ? -5.389  54.925 36.042  1.000 55.097  ? 182 LEU LLL CB   1 
ATOM   5965 C CG   . LEU B 2 182 ? -5.841  55.382 34.657  1.000 56.060  ? 182 LEU LLL CG   1 
ATOM   5966 C CD1  . LEU B 2 182 ? -6.608  56.682 34.797  1.000 59.967  ? 182 LEU LLL CD1  1 
ATOM   5967 C CD2  . LEU B 2 182 ? -4.653  55.569 33.724  1.000 57.862  ? 182 LEU LLL CD2  1 
ATOM   5968 H H    . LEU B 2 182 ? -5.726  52.255 36.092  1.000 47.905  ? 182 LEU LLL H    1 
ATOM   5969 H HA   . LEU B 2 182 ? -3.605  53.969 35.523  1.000 51.577  ? 182 LEU LLL HA   1 
ATOM   5970 H HB2  . LEU B 2 182 ? -6.180  54.664 36.554  1.000 53.990  ? 182 LEU LLL HB2  1 
ATOM   5971 H HB3  . LEU B 2 182 ? -4.982  55.688 36.500  1.000 55.551  ? 182 LEU LLL HB3  1 
ATOM   5972 H HG   . LEU B 2 182 ? -6.443  54.696 34.275  1.000 55.521  ? 182 LEU LLL HG   1 
ATOM   5973 H HD11 . LEU B 2 182 ? -7.342  56.560 35.425  1.000 58.615  ? 182 LEU LLL HD11 1 
ATOM   5974 H HD12 . LEU B 2 182 ? -6.964  56.944 33.931  1.000 58.588  ? 182 LEU LLL HD12 1 
ATOM   5975 H HD13 . LEU B 2 182 ? -6.012  57.377 35.127  1.000 60.028  ? 182 LEU LLL HD13 1 
ATOM   5976 H HD21 . LEU B 2 182 ? -3.897  55.919 34.226  1.000 58.536  ? 182 LEU LLL HD21 1 
ATOM   5977 H HD22 . LEU B 2 182 ? -4.889  56.195 33.018  1.000 57.603  ? 182 LEU LLL HD22 1 
ATOM   5978 H HD23 . LEU B 2 182 ? -4.411  54.715 33.329  1.000 56.786  ? 182 LEU LLL HD23 1 
ATOM   5979 N N    . SER B 2 183 ? -2.941  54.236 37.948  1.000 49.944  ? 183 SER LLL N    1 
ATOM   5980 C CA   . SER B 2 183 ? -2.605  54.406 39.376  1.000 51.306  ? 183 SER LLL CA   1 
ATOM   5981 C C    . SER B 2 183 ? -3.805  55.043 40.086  1.000 50.478  ? 183 SER LLL C    1 
ATOM   5982 O O    . SER B 2 183 ? -4.519  55.880 39.464  1.000 47.980  ? 183 SER LLL O    1 
ATOM   5983 C CB   . SER B 2 183 ? -1.366  55.247 39.530  1.000 52.332  ? 183 SER LLL CB   1 
ATOM   5984 O OG   . SER B 2 183 ? -1.624  56.541 39.022  1.000 51.223  ? 183 SER LLL OG   1 
ATOM   5985 H H    . SER B 2 183 ? -2.366  54.679 37.397  1.000 50.928  ? 183 SER LLL H    1 
ATOM   5986 H HA   . SER B 2 183 ? -2.439  53.508 39.771  1.000 50.834  ? 183 SER LLL HA   1 
ATOM   5987 H HB2  . SER B 2 183 ? -1.118  55.303 40.480  1.000 53.183  ? 183 SER LLL HB2  1 
ATOM   5988 H HB3  . SER B 2 183 ? -0.622  54.835 39.035  1.000 52.226  ? 183 SER LLL HB3  1 
ATOM   5989 H HG   . SER B 2 183 ? -0.942  57.018 39.066  0.000 30.000  ? 183 SER LLL HG   1 
ATOM   5990 N N    . LYS B 2 184 ? -4.022  54.676 41.349  1.000 53.067  ? 184 LYS LLL N    1 
ATOM   5991 C CA   . LYS B 2 184 ? -5.041  55.340 42.200  1.000 55.691  ? 184 LYS LLL CA   1 
ATOM   5992 C C    . LYS B 2 184 ? -4.774  56.852 42.144  1.000 56.250  ? 184 LYS LLL C    1 
ATOM   5993 O O    . LYS B 2 184 ? -5.751  57.574 41.991  1.000 54.717  ? 184 LYS LLL O    1 
ATOM   5994 C CB   . LYS B 2 184 ? -5.037  54.776 43.626  1.000 59.705  ? 184 LYS LLL CB   1 
ATOM   5995 C CG   . LYS B 2 184 ? -6.103  55.336 44.569  1.000 64.006  ? 184 LYS LLL CG   1 
ATOM   5996 C CD   . LYS B 2 184 ? -5.699  55.288 46.039  1.000 68.426  ? 184 LYS LLL CD   1 
ATOM   5997 C CE   . LYS B 2 184 ? -6.877  55.076 46.970  1.000 71.647  ? 184 LYS LLL CE   1 
ATOM   5998 N NZ   . LYS B 2 184 ? -6.598  55.640 48.311  1.000 77.210  ? 184 LYS LLL NZ   1 
ATOM   5999 H H    . LYS B 2 184 ? -3.560  54.009 41.760  1.000 53.413  ? 184 LYS LLL H    1 
ATOM   6000 H HA   . LYS B 2 184 ? -5.926  55.168 41.802  1.000 54.557  ? 184 LYS LLL HA   1 
ATOM   6001 H HB2  . LYS B 2 184 ? -5.159  53.806 43.570  1.000 59.096  ? 184 LYS LLL HB2  1 
ATOM   6002 H HB3  . LYS B 2 184 ? -4.156  54.942 44.020  1.000 61.034  ? 184 LYS LLL HB3  1 
ATOM   6003 H HG2  . LYS B 2 184 ? -6.291  56.266 44.322  1.000 63.804  ? 184 LYS LLL HG2  1 
ATOM   6004 H HG3  . LYS B 2 184 ? -6.929  54.823 44.450  1.000 62.670  ? 184 LYS LLL HG3  1 
ATOM   6005 H HD2  . LYS B 2 184 ? -5.056  54.559 46.171  1.000 68.745  ? 184 LYS LLL HD2  1 
ATOM   6006 H HD3  . LYS B 2 184 ? -5.254  56.129 46.276  1.000 69.607  ? 184 LYS LLL HD3  1 
ATOM   6007 H HE2  . LYS B 2 184 ? -7.670  55.509 46.600  1.000 70.895  ? 184 LYS LLL HE2  1 
ATOM   6008 H HE3  . LYS B 2 184 ? -7.063  54.125 47.057  1.000 71.159  ? 184 LYS LLL HE3  1 
ATOM   6009 H HZ1  . LYS B 2 184 ? -5.813  55.313 48.625  1.000 76.904  ? 184 LYS LLL HZ1  1 
ATOM   6010 H HZ2  . LYS B 2 184 ? -7.265  55.415 48.883  1.000 76.170  ? 184 LYS LLL HZ2  1 
ATOM   6011 H HZ3  . LYS B 2 184 ? -6.544  56.544 48.259  1.000 76.537  ? 184 LYS LLL HZ3  1 
ATOM   6012 N N    . ALA B 2 185 ? -3.505  57.295 42.219  1.000 58.752  ? 185 ALA LLL N    1 
ATOM   6013 C CA   . ALA B 2 185 ? -3.095  58.727 42.152  1.000 61.254  ? 185 ALA LLL CA   1 
ATOM   6014 C C    . ALA B 2 185 ? -3.688  59.388 40.896  1.000 62.532  ? 185 ALA LLL C    1 
ATOM   6015 O O    . ALA B 2 185 ? -4.327  60.427 41.064  1.000 61.849  ? 185 ALA LLL O    1 
ATOM   6016 C CB   . ALA B 2 185 ? -1.594  58.869 42.186  1.000 63.200  ? 185 ALA LLL CB   1 
ATOM   6017 H H    . ALA B 2 185 ? -2.792  56.738 42.326  1.000 59.087  ? 185 ALA LLL H    1 
ATOM   6018 H HA   . ALA B 2 185 ? -3.466  59.186 42.941  1.000 62.183  ? 185 ALA LLL HA   1 
ATOM   6019 H HB1  . ALA B 2 185 ? -1.356  59.811 42.140  1.000 64.169  ? 185 ALA LLL HB1  1 
ATOM   6020 H HB2  . ALA B 2 185 ? -1.251  58.489 43.012  1.000 63.860  ? 185 ALA LLL HB2  1 
ATOM   6021 H HB3  . ALA B 2 185 ? -1.205  58.400 41.429  1.000 62.519  ? 185 ALA LLL HB3  1 
ATOM   6022 N N    . ASP B 2 186 ? -3.559  58.781 39.700  1.000 61.350  ? 186 ASP LLL N    1 
ATOM   6023 C CA   . ASP B 2 186 ? -4.046  59.384 38.419  1.000 61.067  ? 186 ASP LLL CA   1 
ATOM   6024 C C    . ASP B 2 186 ? -5.573  59.322 38.355  1.000 58.457  ? 186 ASP LLL C    1 
ATOM   6025 O O    . ASP B 2 186 ? -6.191  60.322 37.957  1.000 60.139  ? 186 ASP LLL O    1 
ATOM   6026 C CB   . ASP B 2 186 ? -3.405  58.744 37.187  1.000 60.354  ? 186 ASP LLL CB   1 
ATOM   6027 C CG   . ASP B 2 186 ? -1.992  59.250 36.971  1.000 62.878  ? 186 ASP LLL CG   1 
ATOM   6028 O OD1  . ASP B 2 186 ? -1.675  60.323 37.516  1.000 69.036  ? 186 ASP LLL OD1  1 
ATOM   6029 O OD2  . ASP B 2 186 ? -1.209  58.577 36.285  1.000 61.791  ? 186 ASP LLL OD2  1 
ATOM   6030 H H    . ASP B 2 186 ? -3.165  57.965 39.602  1.000 61.028  ? 186 ASP LLL H    1 
ATOM   6031 H HA   . ASP B 2 186 ? -3.790  60.335 38.426  1.000 61.883  ? 186 ASP LLL HA   1 
ATOM   6032 H HB2  . ASP B 2 186 ? -3.379  57.771 37.296  1.000 59.754  ? 186 ASP LLL HB2  1 
ATOM   6033 H HB3  . ASP B 2 186 ? -3.938  58.953 36.393  1.000 59.878  ? 186 ASP LLL HB3  1 
ATOM   6034 N N    . TYR B 2 187 ? -6.154  58.198 38.759  1.000 56.811  ? 187 TYR LLL N    1 
ATOM   6035 C CA   . TYR B 2 187 ? -7.620  57.997 38.836  1.000 54.699  ? 187 TYR LLL CA   1 
ATOM   6036 C C    . TYR B 2 187 ? -8.265  59.118 39.664  1.000 56.558  ? 187 TYR LLL C    1 
ATOM   6037 O O    . TYR B 2 187 ? -9.303  59.643 39.248  1.000 55.333  ? 187 TYR LLL O    1 
ATOM   6038 C CB   . TYR B 2 187 ? -7.936  56.612 39.411  1.000 52.626  ? 187 TYR LLL CB   1 
ATOM   6039 C CG   . TYR B 2 187 ? -9.407  56.274 39.476  1.000 49.096  ? 187 TYR LLL CG   1 
ATOM   6040 C CD1  . TYR B 2 187 ? -10.169 56.107 38.324  1.000 47.382  ? 187 TYR LLL CD1  1 
ATOM   6041 C CD2  . TYR B 2 187 ? -10.039 56.085 40.692  1.000 48.746  ? 187 TYR LLL CD2  1 
ATOM   6042 C CE1  . TYR B 2 187 ? -11.528 55.813 38.382  1.000 45.775  ? 187 TYR LLL CE1  1 
ATOM   6043 C CE2  . TYR B 2 187 ? -11.389 55.777 40.770  1.000 47.432  ? 187 TYR LLL CE2  1 
ATOM   6044 C CZ   . TYR B 2 187 ? -12.140 55.633 39.611  1.000 46.348  ? 187 TYR LLL CZ   1 
ATOM   6045 O OH   . TYR B 2 187 ? -13.472 55.334 39.705  1.000 45.247  ? 187 TYR LLL OH   1 
ATOM   6046 H H    . TYR B 2 187 ? -5.687  57.459 39.016  1.000 56.604  ? 187 TYR LLL H    1 
ATOM   6047 H HA   . TYR B 2 187 ? -7.983  58.041 37.920  1.000 54.109  ? 187 TYR LLL HA   1 
ATOM   6048 H HB2  . TYR B 2 187 ? -7.483  55.940 38.861  1.000 51.759  ? 187 TYR LLL HB2  1 
ATOM   6049 H HB3  . TYR B 2 187 ? -7.560  56.560 40.314  1.000 53.082  ? 187 TYR LLL HB3  1 
ATOM   6050 H HD1  . TYR B 2 187 ? -9.762  56.231 37.483  1.000 47.111  ? 187 TYR LLL HD1  1 
ATOM   6051 H HD2  . TYR B 2 187 ? -9.545  56.186 41.489  1.000 49.676  ? 187 TYR LLL HD2  1 
ATOM   6052 H HE1  . TYR B 2 187 ? -12.026 55.712 37.587  1.000 45.407  ? 187 TYR LLL HE1  1 
ATOM   6053 H HE2  . TYR B 2 187 ? -11.800 55.665 41.612  1.000 48.056  ? 187 TYR LLL HE2  1 
ATOM   6054 H HH   . TYR B 2 187 ? -13.626 54.589 39.294  0.000 30.000  ? 187 TYR LLL HH   1 
ATOM   6055 N N    . GLU B 2 188 ? -7.691  59.461 40.819  1.000 60.581  ? 188 GLU LLL N    1 
ATOM   6056 C CA   . GLU B 2 188 ? -8.297  60.433 41.770  1.000 63.596  ? 188 GLU LLL CA   1 
ATOM   6057 C C    . GLU B 2 188 ? -8.212  61.851 41.178  1.000 62.545  ? 188 GLU LLL C    1 
ATOM   6058 O O    . GLU B 2 188 ? -8.880  62.720 41.726  1.000 62.477  ? 188 GLU LLL O    1 
ATOM   6059 C CB   . GLU B 2 188 ? -7.651  60.383 43.168  1.000 69.686  ? 188 GLU LLL CB   1 
ATOM   6060 C CG   . GLU B 2 188 ? -7.699  59.037 43.917  1.000 73.699  ? 188 GLU LLL CG   1 
ATOM   6061 C CD   . GLU B 2 188 ? -9.043  58.405 44.276  1.000 76.224  ? 188 GLU LLL CD   1 
ATOM   6062 O OE1  . GLU B 2 188 ? -10.068 59.050 44.042  1.000 84.846  ? 188 GLU LLL OE1  1 
ATOM   6063 O OE2  . GLU B 2 188 ? -9.070  57.250 44.790  1.000 77.394  ? 188 GLU LLL OE2  1 
ATOM   6064 H H    . GLU B 2 188 ? -6.893  59.118 41.095  1.000 60.900  ? 188 GLU LLL H    1 
ATOM   6065 H HA   . GLU B 2 188 ? -9.249  60.201 41.865  1.000 62.950  ? 188 GLU LLL HA   1 
ATOM   6066 H HB2  . GLU B 2 188 ? -6.711  60.647 43.074  1.000 70.386  ? 188 GLU LLL HB2  1 
ATOM   6067 H HB3  . GLU B 2 188 ? -8.088  61.059 43.725  1.000 70.161  ? 188 GLU LLL HB3  1 
ATOM   6068 H HG2  . GLU B 2 188 ? -7.209  58.382 43.384  1.000 72.787  ? 188 GLU LLL HG2  1 
ATOM   6069 H HG3  . GLU B 2 188 ? -7.198  59.145 44.754  1.000 74.574  ? 188 GLU LLL HG3  1 
ATOM   6070 N N    . LYS B 2 189 ? -7.443  62.081 40.107  1.000 62.376  ? 189 LYS LLL N    1 
ATOM   6071 C CA   . LYS B 2 189 ? -7.303  63.412 39.447  1.000 64.896  ? 189 LYS LLL CA   1 
ATOM   6072 C C    . LYS B 2 189 ? -8.477  63.722 38.510  1.000 63.297  ? 189 LYS LLL C    1 
ATOM   6073 O O    . LYS B 2 189 ? -8.544  64.850 38.041  1.000 65.848  ? 189 LYS LLL O    1 
ATOM   6074 C CB   . LYS B 2 189 ? -6.025  63.499 38.605  1.000 66.959  ? 189 LYS LLL CB   1 
ATOM   6075 C CG   . LYS B 2 189 ? -4.743  63.617 39.412  1.000 71.395  ? 189 LYS LLL CG   1 
ATOM   6076 C CD   . LYS B 2 189 ? -3.480  63.519 38.595  1.000 73.045  ? 189 LYS LLL CD   1 
ATOM   6077 C CE   . LYS B 2 189 ? -2.257  63.499 39.485  1.000 76.811  ? 189 LYS LLL CE   1 
ATOM   6078 N NZ   . LYS B 2 189 ? -1.145  64.287 38.905  1.000 81.479  ? 189 LYS LLL NZ   1 
ATOM   6079 H H    . LYS B 2 189 ? -6.935  61.434 39.722  1.000 62.369  ? 189 LYS LLL H    1 
ATOM   6080 H HA   . LYS B 2 189 ? -7.268  64.103 40.147  1.000 65.831  ? 189 LYS LLL HA   1 
ATOM   6081 H HB2  . LYS B 2 189 ? -5.967  62.703 38.040  1.000 66.211  ? 189 LYS LLL HB2  1 
ATOM   6082 H HB3  . LYS B 2 189 ? -6.091  64.279 38.016  1.000 67.762  ? 189 LYS LLL HB3  1 
ATOM   6083 H HG2  . LYS B 2 189 ? -4.749  64.479 39.881  1.000 72.120  ? 189 LYS LLL HG2  1 
ATOM   6084 H HG3  . LYS B 2 189 ? -4.735  62.910 40.092  1.000 70.588  ? 189 LYS LLL HG3  1 
ATOM   6085 H HD2  . LYS B 2 189 ? -3.502  62.698 38.057  1.000 72.115  ? 189 LYS LLL HD2  1 
ATOM   6086 H HD3  . LYS B 2 189 ? -3.425  64.286 37.985  1.000 73.928  ? 189 LYS LLL HD3  1 
ATOM   6087 H HE2  . LYS B 2 189 ? -2.483  63.867 40.360  1.000 77.619  ? 189 LYS LLL HE2  1 
ATOM   6088 H HE3  . LYS B 2 189 ? -1.960  62.578 39.611  1.000 76.364  ? 189 LYS LLL HE3  1 
ATOM   6089 H HZ1  . LYS B 2 189 ? -0.961  63.989 38.068  1.000 80.029  ? 189 LYS LLL HZ1  1 
ATOM   6090 H HZ2  . LYS B 2 189 ? -0.405  64.201 39.421  1.000 81.648  ? 189 LYS LLL HZ2  1 
ATOM   6091 H HZ3  . LYS B 2 189 ? -1.378  65.163 38.863  1.000 81.323  ? 189 LYS LLL HZ3  1 
ATOM   6092 N N    . HIS B 2 190 ? -9.358  62.781 38.194  1.000 61.799  ? 190 HIS LLL N    1 
ATOM   6093 C CA   . HIS B 2 190 ? -10.372 63.003 37.130  1.000 60.729  ? 190 HIS LLL CA   1 
ATOM   6094 C C    . HIS B 2 190 ? -11.736 62.516 37.589  1.000 59.328  ? 190 HIS LLL C    1 
ATOM   6095 O O    . HIS B 2 190 ? -11.770 61.719 38.534  1.000 56.874  ? 190 HIS LLL O    1 
ATOM   6096 C CB   . HIS B 2 190 ? -9.920  62.335 35.842  1.000 61.469  ? 190 HIS LLL CB   1 
ATOM   6097 C CG   . HIS B 2 190 ? -8.668  62.938 35.328  1.000 64.443  ? 190 HIS LLL CG   1 
ATOM   6098 N ND1  . HIS B 2 190 ? -7.430  62.330 35.514  1.000 66.630  ? 190 HIS LLL ND1  1 
ATOM   6099 C CD2  . HIS B 2 190 ? -8.456  64.088 34.663  1.000 65.244  ? 190 HIS LLL CD2  1 
ATOM   6100 C CE1  . HIS B 2 190 ? -6.506  63.077 34.961  1.000 67.704  ? 190 HIS LLL CE1  1 
ATOM   6101 N NE2  . HIS B 2 190 ? -7.117  64.164 34.430  1.000 68.169  ? 190 HIS LLL NE2  1 
ATOM   6102 H H    . HIS B 2 190 ? -9.409  61.959 38.581  1.000 61.077  ? 190 HIS LLL H    1 
ATOM   6103 H HA   . HIS B 2 190 ? -10.437 63.973 36.969  1.000 61.857  ? 190 HIS LLL HA   1 
ATOM   6104 H HB2  . HIS B 2 190 ? -9.773  61.378 36.009  1.000 60.712  ? 190 HIS LLL HB2  1 
ATOM   6105 H HB3  . HIS B 2 190 ? -10.626 62.421 35.165  1.000 60.992  ? 190 HIS LLL HB3  1 
ATOM   6106 H HD1  . HIS B 2 190 ? -7.285  61.605 35.929  0.000 30.000  ? 190 HIS LLL HD1  1 
ATOM   6107 H HD2  . HIS B 2 190 ? -9.102  64.712 34.393  1.000 66.002  ? 190 HIS LLL HD2  1 
ATOM   6108 H HE1  . HIS B 2 190 ? -5.583  62.892 34.942  1.000 68.177  ? 190 HIS LLL HE1  1 
ATOM   6109 H HE2  . HIS B 2 190 ? -6.759  64.830 33.954  0.000 30.000  ? 190 HIS LLL HE2  1 
ATOM   6110 N N    . LYS B 2 191 ? -12.803 62.991 36.939  1.000 58.779  ? 191 LYS LLL N    1 
ATOM   6111 C CA   . LYS B 2 191 ? -14.192 62.704 37.362  1.000 61.085  ? 191 LYS LLL CA   1 
ATOM   6112 C C    . LYS B 2 191 ? -14.836 61.679 36.426  1.000 55.587  ? 191 LYS LLL C    1 
ATOM   6113 O O    . LYS B 2 191 ? -15.463 60.723 36.947  1.000 52.172  ? 191 LYS LLL O    1 
ATOM   6114 C CB   . LYS B 2 191 ? -15.038 63.978 37.363  1.000 68.547  ? 191 LYS LLL CB   1 
ATOM   6115 C CG   . LYS B 2 191 ? -16.179 63.998 38.374  1.000 75.107  ? 191 LYS LLL CG   1 
ATOM   6116 C CD   . LYS B 2 191 ? -15.984 65.043 39.480  1.000 83.754  ? 191 LYS LLL CD   1 
ATOM   6117 C CE   . LYS B 2 191 ? -15.014 64.608 40.565  1.000 90.066  ? 191 LYS LLL CE   1 
ATOM   6118 N NZ   . LYS B 2 191 ? -15.603 63.541 41.411  1.000 91.975  ? 191 LYS LLL NZ   1 
ATOM   6119 H H    . LYS B 2 191 ? -12.738 63.528 36.209  1.000 59.807  ? 191 LYS LLL H    1 
ATOM   6120 H HA   . LYS B 2 191 ? -14.173 62.333 38.274  1.000 60.863  ? 191 LYS LLL HA   1 
ATOM   6121 H HB2  . LYS B 2 191 ? -14.447 64.739 37.543  1.000 69.287  ? 191 LYS LLL HB2  1 
ATOM   6122 H HB3  . LYS B 2 191 ? -15.415 64.103 36.467  1.000 68.000  ? 191 LYS LLL HB3  1 
ATOM   6123 H HG2  . LYS B 2 191 ? -17.017 64.189 37.900  1.000 74.869  ? 191 LYS LLL HG2  1 
ATOM   6124 H HG3  . LYS B 2 191 ? -16.261 63.110 38.781  1.000 74.435  ? 191 LYS LLL HG3  1 
ATOM   6125 H HD2  . LYS B 2 191 ? -15.652 65.874 39.078  1.000 83.924  ? 191 LYS LLL HD2  1 
ATOM   6126 H HD3  . LYS B 2 191 ? -16.853 65.237 39.891  1.000 83.354  ? 191 LYS LLL HD3  1 
ATOM   6127 H HE2  . LYS B 2 191 ? -14.193 64.273 40.158  1.000 89.032  ? 191 LYS LLL HE2  1 
ATOM   6128 H HE3  . LYS B 2 191 ? -14.785 65.371 41.128  1.000 90.236  ? 191 LYS LLL HE3  1 
ATOM   6129 H HZ1  . LYS B 2 191 ? -16.482 63.713 41.562  1.000 91.080  ? 191 LYS LLL HZ1  1 
ATOM   6130 H HZ2  . LYS B 2 191 ? -15.170 63.503 42.207  1.000 91.713  ? 191 LYS LLL HZ2  1 
ATOM   6131 H HZ3  . LYS B 2 191 ? -15.526 62.739 40.994  1.000 90.290  ? 191 LYS LLL HZ3  1 
ATOM   6132 N N    . VAL B 2 192 ? -14.779 61.923 35.118  1.000 52.567  ? 192 VAL LLL N    1 
ATOM   6133 C CA   . VAL B 2 192 ? -15.671 61.232 34.142  1.000 53.978  ? 192 VAL LLL CA   1 
ATOM   6134 C C    . VAL B 2 192 ? -14.818 60.196 33.397  1.000 52.702  ? 192 VAL LLL C    1 
ATOM   6135 O O    . VAL B 2 192 ? -13.823 60.550 32.742  1.000 53.651  ? 192 VAL LLL O    1 
ATOM   6136 C CB   . VAL B 2 192 ? -16.456 62.175 33.197  1.000 54.999  ? 192 VAL LLL CB   1 
ATOM   6137 C CG1  . VAL B 2 192 ? -17.318 61.392 32.219  1.000 56.301  ? 192 VAL LLL CG1  1 
ATOM   6138 C CG2  . VAL B 2 192 ? -17.339 63.199 33.935  1.000 56.086  ? 192 VAL LLL CG2  1 
ATOM   6139 H H    . VAL B 2 192 ? -14.202 62.517 34.741  1.000 54.419  ? 192 VAL LLL H    1 
ATOM   6140 H HA   . VAL B 2 192 ? -16.333 60.741 34.660  1.000 53.086  ? 192 VAL LLL HA   1 
ATOM   6141 H HB   . VAL B 2 192 ? -15.789 62.681 32.669  1.000 55.887  ? 192 VAL LLL HB   1 
ATOM   6142 H HG11 . VAL B 2 192 ? -16.753 60.989 31.536  1.000 55.300  ? 192 VAL LLL HG11 1 
ATOM   6143 H HG12 . VAL B 2 192 ? -17.957 61.991 31.795  1.000 56.084  ? 192 VAL LLL HG12 1 
ATOM   6144 H HG13 . VAL B 2 192 ? -17.797 60.692 32.696  1.000 55.047  ? 192 VAL LLL HG13 1 
ATOM   6145 H HG21 . VAL B 2 192 ? -18.277 62.973 33.810  1.000 55.732  ? 192 VAL LLL HG21 1 
ATOM   6146 H HG22 . VAL B 2 192 ? -17.172 64.088 33.577  1.000 56.831  ? 192 VAL LLL HG22 1 
ATOM   6147 H HG23 . VAL B 2 192 ? -17.127 63.189 34.884  1.000 56.172  ? 192 VAL LLL HG23 1 
ATOM   6148 N N    . TYR B 2 193 ? -15.198 58.937 33.577  1.000 51.248  ? 193 TYR LLL N    1 
ATOM   6149 C CA   . TYR B 2 193 ? -14.588 57.735 32.954  1.000 47.830  ? 193 TYR LLL CA   1 
ATOM   6150 C C    . TYR B 2 193 ? -15.623 57.173 31.977  1.000 45.639  ? 193 TYR LLL C    1 
ATOM   6151 O O    . TYR B 2 193 ? -16.740 56.901 32.419  1.000 42.323  ? 193 TYR LLL O    1 
ATOM   6152 C CB   . TYR B 2 193 ? -14.150 56.770 34.060  1.000 46.841  ? 193 TYR LLL CB   1 
ATOM   6153 C CG   . TYR B 2 193 ? -12.948 57.283 34.806  1.000 47.166  ? 193 TYR LLL CG   1 
ATOM   6154 C CD1  . TYR B 2 193 ? -13.089 58.208 35.831  1.000 50.165  ? 193 TYR LLL CD1  1 
ATOM   6155 C CD2  . TYR B 2 193 ? -11.667 56.947 34.393  1.000 45.458  ? 193 TYR LLL CD2  1 
ATOM   6156 C CE1  . TYR B 2 193 ? -11.977 58.719 36.484  1.000 51.029  ? 193 TYR LLL CE1  1 
ATOM   6157 C CE2  . TYR B 2 193 ? -10.552 57.431 35.043  1.000 46.961  ? 193 TYR LLL CE2  1 
ATOM   6158 C CZ   . TYR B 2 193 ? -10.713 58.317 36.093  1.000 49.617  ? 193 TYR LLL CZ   1 
ATOM   6159 O OH   . TYR B 2 193 ? -9.610  58.825 36.703  1.000 52.766  ? 193 TYR LLL OH   1 
ATOM   6160 H H    . TYR B 2 193 ? -15.894 58.714 34.121  1.000 50.580  ? 193 TYR LLL H    1 
ATOM   6161 H HA   . TYR B 2 193 ? -13.787 58.014 32.441  1.000 48.158  ? 193 TYR LLL HA   1 
ATOM   6162 H HB2  . TYR B 2 193 ? -14.893 56.646 34.687  1.000 46.842  ? 193 TYR LLL HB2  1 
ATOM   6163 H HB3  . TYR B 2 193 ? -13.938 55.902 33.658  1.000 46.211  ? 193 TYR LLL HB3  1 
ATOM   6164 H HD1  . TYR B 2 193 ? -13.952 58.470 36.107  1.000 49.565  ? 193 TYR LLL HD1  1 
ATOM   6165 H HD2  . TYR B 2 193 ? -11.557 56.330 33.689  1.000 45.528  ? 193 TYR LLL HD2  1 
ATOM   6166 H HE1  . TYR B 2 193 ? -12.082 59.324 37.200  1.000 51.288  ? 193 TYR LLL HE1  1 
ATOM   6167 H HE2  . TYR B 2 193 ? -9.689  57.171 34.767  1.000 47.473  ? 193 TYR LLL HE2  1 
ATOM   6168 H HH   . TYR B 2 193 ? -9.595  58.637 37.525  0.000 30.000  ? 193 TYR LLL HH   1 
ATOM   6169 N N    . ALA B 2 194 ? -15.252 57.067 30.695  1.000 46.092  ? 194 ALA LLL N    1 
ATOM   6170 C CA   . ALA B 2 194 ? -16.166 56.706 29.588  1.000 46.712  ? 194 ALA LLL CA   1 
ATOM   6171 C C    . ALA B 2 194 ? -15.471 55.776 28.589  1.000 45.142  ? 194 ALA LLL C    1 
ATOM   6172 O O    . ALA B 2 194 ? -14.272 55.969 28.298  1.000 43.761  ? 194 ALA LLL O    1 
ATOM   6173 C CB   . ALA B 2 194 ? -16.658 57.972 28.938  1.000 48.627  ? 194 ALA LLL CB   1 
ATOM   6174 H H    . ALA B 2 194 ? -14.399 57.212 30.408  1.000 46.370  ? 194 ALA LLL H    1 
ATOM   6175 H HA   . ALA B 2 194 ? -16.936 56.229 29.969  1.000 46.190  ? 194 ALA LLL HA   1 
ATOM   6176 H HB1  . ALA B 2 194 ? -17.254 57.750 28.206  1.000 48.233  ? 194 ALA LLL HB1  1 
ATOM   6177 H HB2  . ALA B 2 194 ? -17.135 58.509 29.593  1.000 48.720  ? 194 ALA LLL HB2  1 
ATOM   6178 H HB3  . ALA B 2 194 ? -15.901 58.477 28.596  1.000 48.800  ? 194 ALA LLL HB3  1 
ATOM   6179 N N    . CYS B 2 195 ? -16.167 54.745 28.126  1.000 46.329  ? 195 CYS LLL N    1 
ATOM   6180 C CA   . CYS B 2 195 ? -15.744 53.955 26.938  1.000 48.243  ? 195 CYS LLL CA   1 
ATOM   6181 C C    . CYS B 2 195 ? -16.753 54.183 25.807  1.000 45.948  ? 195 CYS LLL C    1 
ATOM   6182 O O    . CYS B 2 195 ? -17.987 54.071 26.019  1.000 43.826  ? 195 CYS LLL O    1 
ATOM   6183 C CB   . CYS B 2 195 ? -15.527 52.474 27.217  1.000 51.056  ? 195 CYS LLL CB   1 
ATOM   6184 S SG   . CYS B 2 195 ? -17.014 51.652 27.822  1.000 57.045  ? 195 CYS LLL SG   1 
ATOM   6185 H H    . CYS B 2 195 ? -16.945 54.446 28.493  1.000 46.242  ? 195 CYS LLL H    1 
ATOM   6186 H HA   . CYS B 2 195 ? -14.880 54.322 26.644  1.000 48.162  ? 195 CYS LLL HA   1 
ATOM   6187 H HB2  . CYS B 2 195 ? -15.236 52.030 26.394  1.000 51.257  ? 195 CYS LLL HB2  1 
ATOM   6188 H HB3  . CYS B 2 195 ? -14.818 52.371 27.884  1.000 51.412  ? 195 CYS LLL HB3  1 
ATOM   6189 N N    . GLU B 2 196 ? -16.185 54.537 24.667  1.000 44.624  ? 196 GLU LLL N    1 
ATOM   6190 C CA   . GLU B 2 196 ? -16.844 54.874 23.402  1.000 45.240  ? 196 GLU LLL CA   1 
ATOM   6191 C C    . GLU B 2 196 ? -16.646 53.683 22.480  1.000 43.251  ? 196 GLU LLL C    1 
ATOM   6192 O O    . GLU B 2 196 ? -15.495 53.264 22.263  1.000 41.394  ? 196 GLU LLL O    1 
ATOM   6193 C CB   . GLU B 2 196 ? -16.220 56.134 22.820  1.000 48.241  ? 196 GLU LLL CB   1 
ATOM   6194 C CG   . GLU B 2 196 ? -16.906 56.607 21.550  1.000 50.405  ? 196 GLU LLL CG   1 
ATOM   6195 C CD   . GLU B 2 196 ? -15.963 57.342 20.605  1.000 52.385  ? 196 GLU LLL CD   1 
ATOM   6196 O OE1  . GLU B 2 196 ? -15.004 56.703 20.063  1.000 52.849  ? 196 GLU LLL OE1  1 
ATOM   6197 O OE2  . GLU B 2 196 ? -16.162 58.545 20.431  1.000 55.357  ? 196 GLU LLL OE2  1 
ATOM   6198 H H    . GLU B 2 196 ? -15.278 54.591 24.594  1.000 45.066  ? 196 GLU LLL H    1 
ATOM   6199 H HA   . GLU B 2 196 ? -17.802 55.020 23.562  1.000 45.517  ? 196 GLU LLL HA   1 
ATOM   6200 H HB2  . GLU B 2 196 ? -16.265 56.845 23.492  1.000 48.441  ? 196 GLU LLL HB2  1 
ATOM   6201 H HB3  . GLU B 2 196 ? -15.277 55.957 22.629  1.000 47.982  ? 196 GLU LLL HB3  1 
ATOM   6202 H HG2  . GLU B 2 196 ? -17.287 55.838 21.078  1.000 49.924  ? 196 GLU LLL HG2  1 
ATOM   6203 H HG3  . GLU B 2 196 ? -17.644 57.208 21.788  1.000 50.840  ? 196 GLU LLL HG3  1 
ATOM   6204 N N    . VAL B 2 197 ? -17.753 53.171 21.965  1.000 42.612  ? 197 VAL LLL N    1 
ATOM   6205 C CA   . VAL B 2 197 ? -17.805 51.905 21.192  1.000 43.189  ? 197 VAL LLL CA   1 
ATOM   6206 C C    . VAL B 2 197 ? -18.290 52.220 19.778  1.000 43.812  ? 197 VAL LLL C    1 
ATOM   6207 O O    . VAL B 2 197 ? -19.346 52.842 19.632  1.000 44.153  ? 197 VAL LLL O    1 
ATOM   6208 C CB   . VAL B 2 197 ? -18.700 50.885 21.918  1.000 43.523  ? 197 VAL LLL CB   1 
ATOM   6209 C CG1  . VAL B 2 197 ? -18.907 49.637 21.072  1.000 43.668  ? 197 VAL LLL CG1  1 
ATOM   6210 C CG2  . VAL B 2 197 ? -18.110 50.558 23.300  1.000 44.057  ? 197 VAL LLL CG2  1 
ATOM   6211 H H    . VAL B 2 197 ? -18.566 53.572 22.052  1.000 43.476  ? 197 VAL LLL H    1 
ATOM   6212 H HA   . VAL B 2 197 ? -16.906 51.541 21.139  1.000 42.667  ? 197 VAL LLL HA   1 
ATOM   6213 H HB   . VAL B 2 197 ? -19.582 51.309 22.057  1.000 44.169  ? 197 VAL LLL HB   1 
ATOM   6214 H HG11 . VAL B 2 197 ? -19.611 49.798 20.420  1.000 44.123  ? 197 VAL LLL HG11 1 
ATOM   6215 H HG12 . VAL B 2 197 ? -19.162 48.893 21.645  1.000 43.030  ? 197 VAL LLL HG12 1 
ATOM   6216 H HG13 . VAL B 2 197 ? -18.080 49.418 20.607  1.000 43.274  ? 197 VAL LLL HG13 1 
ATOM   6217 H HG21 . VAL B 2 197 ? -17.178 50.298 23.202  1.000 43.292  ? 197 VAL LLL HG21 1 
ATOM   6218 H HG22 . VAL B 2 197 ? -18.610 49.826 23.702  1.000 43.318  ? 197 VAL LLL HG22 1 
ATOM   6219 H HG23 . VAL B 2 197 ? -18.169 51.342 23.873  1.000 43.970  ? 197 VAL LLL HG23 1 
ATOM   6220 N N    . THR B 2 198 ? -17.486 51.837 18.795  1.000 44.721  ? 198 THR LLL N    1 
ATOM   6221 C CA   . THR B 2 198 ? -17.819 51.870 17.355  1.000 44.062  ? 198 THR LLL CA   1 
ATOM   6222 C C    . THR B 2 198 ? -18.074 50.444 16.905  1.000 41.851  ? 198 THR LLL C    1 
ATOM   6223 O O    . THR B 2 198 ? -17.303 49.556 17.286  1.000 39.540  ? 198 THR LLL O    1 
ATOM   6224 C CB   . THR B 2 198 ? -16.689 52.486 16.538  1.000 45.408  ? 198 THR LLL CB   1 
ATOM   6225 O OG1  . THR B 2 198 ? -16.456 53.721 17.209  1.000 46.658  ? 198 THR LLL OG1  1 
ATOM   6226 C CG2  . THR B 2 198 ? -17.072 52.678 15.082  1.000 48.409  ? 198 THR LLL CG2  1 
ATOM   6227 H H    . THR B 2 198 ? -16.645 51.518 18.944  1.000 43.626  ? 198 THR LLL H    1 
ATOM   6228 H HA   . THR B 2 198 ? -18.638 52.403 17.231  1.000 44.893  ? 198 THR LLL HA   1 
ATOM   6229 H HB   . THR B 2 198 ? -15.893 51.913 16.601  1.000 45.103  ? 198 THR LLL HB   1 
ATOM   6230 H HG1  . THR B 2 198 ? -15.835 54.120 16.831  0.000 30.000  ? 198 THR LLL HG1  1 
ATOM   6231 H HG21 . THR B 2 198 ? -17.058 51.818 14.624  1.000 47.491  ? 198 THR LLL HG21 1 
ATOM   6232 H HG22 . THR B 2 198 ? -16.438 53.281 14.655  1.000 48.559  ? 198 THR LLL HG22 1 
ATOM   6233 H HG23 . THR B 2 198 ? -17.967 53.058 15.028  1.000 48.481  ? 198 THR LLL HG23 1 
ATOM   6234 N N    . HIS B 2 199 ? -19.178 50.244 16.203  1.000 41.919  ? 199 HIS LLL N    1 
ATOM   6235 C CA   . HIS B 2 199 ? -19.613 48.936 15.671  1.000 41.134  ? 199 HIS LLL CA   1 
ATOM   6236 C C    . HIS B 2 199 ? -20.616 49.186 14.547  1.000 42.310  ? 199 HIS LLL C    1 
ATOM   6237 O O    . HIS B 2 199 ? -21.439 50.132 14.680  1.000 40.300  ? 199 HIS LLL O    1 
ATOM   6238 C CB   . HIS B 2 199 ? -20.197 48.040 16.782  1.000 40.175  ? 199 HIS LLL CB   1 
ATOM   6239 C CG   . HIS B 2 199 ? -20.481 46.655 16.300  1.000 39.511  ? 199 HIS LLL CG   1 
ATOM   6240 N ND1  . HIS B 2 199 ? -21.714 46.290 15.832  1.000 39.136  ? 199 HIS LLL ND1  1 
ATOM   6241 C CD2  . HIS B 2 199 ? -19.684 45.561 16.169  1.000 39.058  ? 199 HIS LLL CD2  1 
ATOM   6242 C CE1  . HIS B 2 199 ? -21.680 45.044 15.411  1.000 39.452  ? 199 HIS LLL CE1  1 
ATOM   6243 N NE2  . HIS B 2 199 ? -20.447 44.570 15.606  1.000 39.029  ? 199 HIS LLL NE2  1 
ATOM   6244 H H    . HIS B 2 199 ? -19.761 50.913 15.997  1.000 42.802  ? 199 HIS LLL H    1 
ATOM   6245 H HA   . HIS B 2 199 ? -18.824 48.486 15.287  1.000 40.786  ? 199 HIS LLL HA   1 
ATOM   6246 H HB2  . HIS B 2 199 ? -19.560 47.997 17.529  1.000 39.341  ? 199 HIS LLL HB2  1 
ATOM   6247 H HB3  . HIS B 2 199 ? -21.029 48.442 17.116  1.000 40.561  ? 199 HIS LLL HB3  1 
ATOM   6248 H HD1  . HIS B 2 199 ? -22.405 46.819 15.766  0.000 30.000  ? 199 HIS LLL HD1  1 
ATOM   6249 H HD2  . HIS B 2 199 ? -18.775 45.499 16.395  1.000 38.251  ? 199 HIS LLL HD2  1 
ATOM   6250 H HE1  . HIS B 2 199 ? -22.410 44.563 15.063  1.000 40.053  ? 199 HIS LLL HE1  1 
ATOM   6251 H HE2  . HIS B 2 199 ? -20.175 43.763 15.389  0.000 30.000  ? 199 HIS LLL HE2  1 
ATOM   6252 N N    . GLN B 2 200 ? -20.571 48.324 13.532  1.000 42.956  ? 200 GLN LLL N    1 
ATOM   6253 C CA   . GLN B 2 200 ? -21.438 48.345 12.325  1.000 46.306  ? 200 GLN LLL CA   1 
ATOM   6254 C C    . GLN B 2 200 ? -22.920 48.386 12.738  1.000 45.792  ? 200 GLN LLL C    1 
ATOM   6255 O O    . GLN B 2 200 ? -23.710 48.994 12.025  1.000 49.406  ? 200 GLN LLL O    1 
ATOM   6256 C CB   . GLN B 2 200 ? -21.119 47.121 11.463  1.000 48.490  ? 200 GLN LLL CB   1 
ATOM   6257 C CG   . GLN B 2 200 ? -21.489 47.354 10.008  1.000 55.445  ? 200 GLN LLL CG   1 
ATOM   6258 C CD   . GLN B 2 200 ? -21.652 46.075 9.237   1.000 57.089  ? 200 GLN LLL CD   1 
ATOM   6259 O OE1  . GLN B 2 200 ? -20.880 45.132 9.371   1.000 61.605  ? 200 GLN LLL OE1  1 
ATOM   6260 N NE2  . GLN B 2 200 ? -22.672 46.049 8.403   1.000 64.605  ? 200 GLN LLL NE2  1 
ATOM   6261 H H    . GLN B 2 200 ? -19.976 47.635 13.525  1.000 42.555  ? 200 GLN LLL H    1 
ATOM   6262 H HA   . GLN B 2 200 ? -21.232 49.159 11.810  1.000 47.006  ? 200 GLN LLL HA   1 
ATOM   6263 H HB2  . GLN B 2 200 ? -20.161 46.925 11.527  1.000 48.262  ? 200 GLN LLL HB2  1 
ATOM   6264 H HB3  . GLN B 2 200 ? -21.614 46.349 11.809  1.000 48.642  ? 200 GLN LLL HB3  1 
ATOM   6265 H HG2  . GLN B 2 200 ? -22.328 47.861 9.967   1.000 55.403  ? 200 GLN LLL HG2  1 
ATOM   6266 H HG3  . GLN B 2 200 ? -20.791 47.896 9.583   1.000 54.785  ? 200 GLN LLL HG3  1 
ATOM   6267 H HE21 . GLN B 2 200 ? -22.947 45.352 8.045   0.000 30.000  ? 200 GLN LLL HE21 1 
ATOM   6268 H HE22 . GLN B 2 200 ? -23.268 46.786 8.474   0.000 30.000  ? 200 GLN LLL HE22 1 
ATOM   6269 N N    . GLY B 2 201 ? -23.294 47.801 13.882  1.000 43.988  ? 201 GLY LLL N    1 
ATOM   6270 C CA   . GLY B 2 201 ? -24.682 47.807 14.388  1.000 44.834  ? 201 GLY LLL CA   1 
ATOM   6271 C C    . GLY B 2 201 ? -25.079 49.094 15.108  1.000 44.005  ? 201 GLY LLL C    1 
ATOM   6272 O O    . GLY B 2 201 ? -26.230 49.207 15.529  1.000 44.117  ? 201 GLY LLL O    1 
ATOM   6273 H H    . GLY B 2 201 ? -22.712 47.356 14.407  1.000 43.165  ? 201 GLY LLL H    1 
ATOM   6274 H HA2  . GLY B 2 201 ? -25.298 47.661 13.627  1.000 45.541  ? 201 GLY LLL HA2  1 
ATOM   6275 H HA3  . GLY B 2 201 ? -24.793 47.044 15.010  1.000 43.783  ? 201 GLY LLL HA3  1 
ATOM   6276 N N    . LEU B 2 202 ? -24.150 50.016 15.327  1.000 43.561  ? 202 LEU LLL N    1 
ATOM   6277 C CA   . LEU B 2 202 ? -24.443 51.307 15.990  1.000 43.328  ? 202 LEU LLL CA   1 
ATOM   6278 C C    . LEU B 2 202 ? -24.470 52.366 14.895  1.000 44.335  ? 202 LEU LLL C    1 
ATOM   6279 O O    . LEU B 2 202 ? -23.621 52.291 14.039  1.000 47.110  ? 202 LEU LLL O    1 
ATOM   6280 C CB   . LEU B 2 202 ? -23.362 51.583 17.032  1.000 41.031  ? 202 LEU LLL CB   1 
ATOM   6281 C CG   . LEU B 2 202 ? -23.216 50.537 18.140  1.000 39.682  ? 202 LEU LLL CG   1 
ATOM   6282 C CD1  . LEU B 2 202 ? -22.001 50.864 19.002  1.000 38.082  ? 202 LEU LLL CD1  1 
ATOM   6283 C CD2  . LEU B 2 202 ? -24.474 50.427 18.990  1.000 39.628  ? 202 LEU LLL CD2  1 
ATOM   6284 H H    . LEU B 2 202 ? -23.280 49.912 15.090  1.000 42.916  ? 202 LEU LLL H    1 
ATOM   6285 H HA   . LEU B 2 202 ? -25.325 51.258 16.422  1.000 43.467  ? 202 LEU LLL HA   1 
ATOM   6286 H HB2  . LEU B 2 202 ? -22.505 51.665 16.570  1.000 41.149  ? 202 LEU LLL HB2  1 
ATOM   6287 H HB3  . LEU B 2 202 ? -23.555 52.445 17.448  1.000 41.671  ? 202 LEU LLL HB3  1 
ATOM   6288 H HG   . LEU B 2 202 ? -23.058 49.659 17.713  1.000 39.167  ? 202 LEU LLL HG   1 
ATOM   6289 H HD11 . LEU B 2 202 ? -21.200 50.860 18.449  1.000 38.139  ? 202 LEU LLL HD11 1 
ATOM   6290 H HD12 . LEU B 2 202 ? -21.913 50.197 19.705  1.000 37.488  ? 202 LEU LLL HD12 1 
ATOM   6291 H HD13 . LEU B 2 202 ? -22.114 51.744 19.402  1.000 38.630  ? 202 LEU LLL HD13 1 
ATOM   6292 H HD21 . LEU B 2 202 ? -24.746 51.313 19.285  1.000 40.229  ? 202 LEU LLL HD21 1 
ATOM   6293 H HD22 . LEU B 2 202 ? -24.293 49.869 19.767  1.000 38.936  ? 202 LEU LLL HD22 1 
ATOM   6294 H HD23 . LEU B 2 202 ? -25.188 50.027 18.464  1.000 40.361  ? 202 LEU LLL HD23 1 
ATOM   6295 N N    . SER B 2 203 ? -25.474 53.222 14.879  1.000 45.587  ? 203 SER LLL N    1 
ATOM   6296 C CA   . SER B 2 203 ? -25.657 54.322 13.889  1.000 47.369  ? 203 SER LLL CA   1 
ATOM   6297 C C    . SER B 2 203 ? -24.516 55.332 14.056  1.000 47.403  ? 203 SER LLL C    1 
ATOM   6298 O O    . SER B 2 203 ? -24.085 55.925 13.091  1.000 48.229  ? 203 SER LLL O    1 
ATOM   6299 C CB   . SER B 2 203 ? -26.975 54.983 14.048  1.000 46.626  ? 203 SER LLL CB   1 
ATOM   6300 O OG   . SER B 2 203 ? -27.102 55.574 15.332  1.000 45.579  ? 203 SER LLL OG   1 
ATOM   6301 H H    . SER B 2 203 ? -26.147 53.201 15.494  1.000 45.583  ? 203 SER LLL H    1 
ATOM   6302 H HA   . SER B 2 203 ? -25.603 53.932 12.975  1.000 47.521  ? 203 SER LLL HA   1 
ATOM   6303 H HB2  . SER B 2 203 ? -27.076 55.677 13.357  1.000 48.292  ? 203 SER LLL HB2  1 
ATOM   6304 H HB3  . SER B 2 203 ? -27.690 54.319 13.922  1.000 47.235  ? 203 SER LLL HB3  1 
ATOM   6305 H HG   . SER B 2 203 ? -27.866 55.937 15.386  0.000 30.000  ? 203 SER LLL HG   1 
ATOM   6306 N N    . SER B 2 204 ? -24.067 55.482 15.291  1.000 47.613  ? 204 SER LLL N    1 
ATOM   6307 C CA   . SER B 2 204 ? -22.939 56.328 15.726  1.000 47.265  ? 204 SER LLL CA   1 
ATOM   6308 C C    . SER B 2 204 ? -22.328 55.627 16.913  1.000 45.677  ? 204 SER LLL C    1 
ATOM   6309 O O    . SER B 2 204 ? -22.996 54.812 17.546  1.000 43.574  ? 204 SER LLL O    1 
ATOM   6310 C CB   . SER B 2 204 ? -23.394 57.708 16.132  1.000 48.304  ? 204 SER LLL CB   1 
ATOM   6311 O OG   . SER B 2 204 ? -23.830 58.434 15.017  1.000 50.118  ? 204 SER LLL OG   1 
ATOM   6312 H H    . SER B 2 204 ? -24.462 55.068 16.000  1.000 46.572  ? 204 SER LLL H    1 
ATOM   6313 H HA   . SER B 2 204 ? -22.274 56.391 14.990  1.000 47.659  ? 204 SER LLL HA   1 
ATOM   6314 H HB2  . SER B 2 204 ? -24.129 57.631 16.780  1.000 48.122  ? 204 SER LLL HB2  1 
ATOM   6315 H HB3  . SER B 2 204 ? -22.651 58.185 16.565  1.000 48.029  ? 204 SER LLL HB3  1 
ATOM   6316 H HG   . SER B 2 204 ? -24.071 59.200 15.335  0.000 30.000  ? 204 SER LLL HG   1 
ATOM   6317 N N    . PRO B 2 205 ? -21.080 55.971 17.270  1.000 46.362  ? 205 PRO LLL N    1 
ATOM   6318 C CA   . PRO B 2 205 ? -20.451 55.371 18.435  1.000 46.079  ? 205 PRO LLL CA   1 
ATOM   6319 C C    . PRO B 2 205 ? -21.268 55.732 19.670  1.000 46.349  ? 205 PRO LLL C    1 
ATOM   6320 O O    . PRO B 2 205 ? -21.700 56.843 19.795  1.000 49.424  ? 205 PRO LLL O    1 
ATOM   6321 C CB   . PRO B 2 205 ? -19.031 55.972 18.450  1.000 46.490  ? 205 PRO LLL CB   1 
ATOM   6322 C CG   . PRO B 2 205 ? -18.812 56.348 16.982  1.000 47.145  ? 205 PRO LLL CG   1 
ATOM   6323 C CD   . PRO B 2 205 ? -20.174 56.858 16.529  1.000 48.117  ? 205 PRO LLL CD   1 
ATOM   6324 H HA   . PRO B 2 205 ? -20.403 54.390 18.317  1.000 45.277  ? 205 PRO LLL HA   1 
ATOM   6325 H HB2  . PRO B 2 205 ? -18.985 56.763 19.028  1.000 46.576  ? 205 PRO LLL HB2  1 
ATOM   6326 H HB3  . PRO B 2 205 ? -18.369 55.314 18.750  1.000 45.338  ? 205 PRO LLL HB3  1 
ATOM   6327 H HG2  . PRO B 2 205 ? -18.131 57.046 16.897  1.000 47.789  ? 205 PRO LLL HG2  1 
ATOM   6328 H HG3  . PRO B 2 205 ? -18.537 55.568 16.458  1.000 46.833  ? 205 PRO LLL HG3  1 
ATOM   6329 H HD2  . PRO B 2 205 ? -20.307 57.789 16.781  1.000 48.709  ? 205 PRO LLL HD2  1 
ATOM   6330 H HD3  . PRO B 2 205 ? -20.285 56.762 15.565  1.000 48.706  ? 205 PRO LLL HD3  1 
ATOM   6331 N N    . VAL B 2 206 ? -21.440 54.756 20.543  1.000 47.183  ? 206 VAL LLL N    1 
ATOM   6332 C CA   . VAL B 2 206 ? -22.154 54.877 21.835  1.000 49.466  ? 206 VAL LLL CA   1 
ATOM   6333 C C    . VAL B 2 206 ? -21.106 54.987 22.944  1.000 48.888  ? 206 VAL LLL C    1 
ATOM   6334 O O    . VAL B 2 206 ? -20.090 54.287 22.890  1.000 47.910  ? 206 VAL LLL O    1 
ATOM   6335 C CB   . VAL B 2 206 ? -23.063 53.649 22.007  1.000 52.910  ? 206 VAL LLL CB   1 
ATOM   6336 C CG1  . VAL B 2 206 ? -23.550 53.503 23.437  1.000 54.308  ? 206 VAL LLL CG1  1 
ATOM   6337 C CG2  . VAL B 2 206 ? -24.223 53.691 21.015  1.000 54.829  ? 206 VAL LLL CG2  1 
ATOM   6338 H H    . VAL B 2 206 ? -21.109 53.919 20.400  1.000 46.625  ? 206 VAL LLL H    1 
ATOM   6339 H HA   . VAL B 2 206 ? -22.700 55.683 21.826  1.000 50.512  ? 206 VAL LLL HA   1 
ATOM   6340 H HB   . VAL B 2 206 ? -22.520 52.850 21.796  1.000 51.917  ? 206 VAL LLL HB   1 
ATOM   6341 H HG11 . VAL B 2 206 ? -22.860 53.076 23.975  1.000 52.962  ? 206 VAL LLL HG11 1 
ATOM   6342 H HG12 . VAL B 2 206 ? -24.355 52.957 23.453  1.000 53.896  ? 206 VAL LLL HG12 1 
ATOM   6343 H HG13 . VAL B 2 206 ? -23.749 54.382 23.805  1.000 54.217  ? 206 VAL LLL HG13 1 
ATOM   6344 H HG21 . VAL B 2 206 ? -24.741 54.503 21.155  1.000 55.333  ? 206 VAL LLL HG21 1 
ATOM   6345 H HG22 . VAL B 2 206 ? -24.795 52.915 21.150  1.000 54.420  ? 206 VAL LLL HG22 1 
ATOM   6346 H HG23 . VAL B 2 206 ? -23.876 53.682 20.107  1.000 54.831  ? 206 VAL LLL HG23 1 
ATOM   6347 N N    . THR B 2 207 ? -21.358 55.818 23.939  1.000 49.572  ? 207 THR LLL N    1 
ATOM   6348 C CA   . THR B 2 207 ? -20.440 56.054 25.086  1.000 49.632  ? 207 THR LLL CA   1 
ATOM   6349 C C    . THR B 2 207 ? -21.141 55.616 26.372  1.000 48.078  ? 207 THR LLL C    1 
ATOM   6350 O O    . THR B 2 207 ? -22.294 55.912 26.503  1.000 48.593  ? 207 THR LLL O    1 
ATOM   6351 C CB   . THR B 2 207 ? -20.014 57.521 25.118  1.000 50.513  ? 207 THR LLL CB   1 
ATOM   6352 O OG1  . THR B 2 207 ? -19.409 57.803 23.854  1.000 51.180  ? 207 THR LLL OG1  1 
ATOM   6353 C CG2  . THR B 2 207 ? -19.051 57.797 26.249  1.000 50.932  ? 207 THR LLL CG2  1 
ATOM   6354 H H    . THR B 2 207 ? -22.121 56.312 23.996  1.000 50.222  ? 207 THR LLL H    1 
ATOM   6355 H HA   . THR B 2 207 ? -19.640 55.500 24.959  1.000 48.699  ? 207 THR LLL HA   1 
ATOM   6356 H HB   . THR B 2 207 ? -20.818 58.083 25.230  1.000 51.293  ? 207 THR LLL HB   1 
ATOM   6357 H HG1  . THR B 2 207 ? -19.136 58.589 23.790  0.000 30.000  ? 207 THR LLL HG1  1 
ATOM   6358 H HG21 . THR B 2 207 ? -19.545 57.899 27.082  1.000 50.696  ? 207 THR LLL HG21 1 
ATOM   6359 H HG22 . THR B 2 207 ? -18.557 58.616 26.064  1.000 51.356  ? 207 THR LLL HG22 1 
ATOM   6360 H HG23 . THR B 2 207 ? -18.426 57.055 26.332  1.000 50.025  ? 207 THR LLL HG23 1 
ATOM   6361 N N    . LYS B 2 208 ? -20.465 54.889 27.251  1.000 48.638  ? 208 LYS LLL N    1 
ATOM   6362 C CA   . LYS B 2 208 ? -20.979 54.530 28.597  1.000 51.341  ? 208 LYS LLL CA   1 
ATOM   6363 C C    . LYS B 2 208 ? -20.000 55.122 29.613  1.000 51.097  ? 208 LYS LLL C    1 
ATOM   6364 O O    . LYS B 2 208 ? -18.757 55.055 29.345  1.000 48.412  ? 208 LYS LLL O    1 
ATOM   6365 C CB   . LYS B 2 208 ? -21.173 53.011 28.747  1.000 53.198  ? 208 LYS LLL CB   1 
ATOM   6366 C CG   . LYS B 2 208 ? -22.324 52.420 27.929  1.000 57.521  ? 208 LYS LLL CG   1 
ATOM   6367 C CD   . LYS B 2 208 ? -23.711 52.943 28.280  1.000 62.378  ? 208 LYS LLL CD   1 
ATOM   6368 C CE   . LYS B 2 208 ? -24.126 52.553 29.687  1.000 67.111  ? 208 LYS LLL CE   1 
ATOM   6369 N NZ   . LYS B 2 208 ? -25.597 52.628 29.894  1.000 71.327  ? 208 LYS LLL NZ   1 
ATOM   6370 H H    . LYS B 2 208 ? -19.633 54.560 27.078  1.000 48.557  ? 208 LYS LLL H    1 
ATOM   6371 H HA   . LYS B 2 208 ? -21.850 54.969 28.720  1.000 51.758  ? 208 LYS LLL HA   1 
ATOM   6372 H HB2  . LYS B 2 208 ? -20.341 52.566 28.479  1.000 52.995  ? 208 LYS LLL HB2  1 
ATOM   6373 H HB3  . LYS B 2 208 ? -21.326 52.810 29.693  1.000 53.477  ? 208 LYS LLL HB3  1 
ATOM   6374 H HG2  . LYS B 2 208 ? -22.154 52.601 26.980  1.000 57.489  ? 208 LYS LLL HG2  1 
ATOM   6375 H HG3  . LYS B 2 208 ? -22.319 51.447 28.048  1.000 56.945  ? 208 LYS LLL HG3  1 
ATOM   6376 H HD2  . LYS B 2 208 ? -23.721 53.920 28.201  1.000 62.867  ? 208 LYS LLL HD2  1 
ATOM   6377 H HD3  . LYS B 2 208 ? -24.362 52.580 27.642  1.000 62.694  ? 208 LYS LLL HD3  1 
ATOM   6378 H HE2  . LYS B 2 208 ? -23.830 51.641 29.871  1.000 66.182  ? 208 LYS LLL HE2  1 
ATOM   6379 H HE3  . LYS B 2 208 ? -23.689 53.144 30.329  1.000 66.736  ? 208 LYS LLL HE3  1 
ATOM   6380 H HZ1  . LYS B 2 208 ? -25.889 53.469 29.721  1.000 70.773  ? 208 LYS LLL HZ1  1 
ATOM   6381 H HZ2  . LYS B 2 208 ? -25.798 52.414 30.752  1.000 70.363  ? 208 LYS LLL HZ2  1 
ATOM   6382 H HZ3  . LYS B 2 208 ? -26.016 52.047 29.337  1.000 70.342  ? 208 LYS LLL HZ3  1 
ATOM   6383 N N    . SER B 2 209 ? -20.546 55.721 30.680  1.000 49.406  ? 209 SER LLL N    1 
ATOM   6384 C CA   . SER B 2 209 ? -19.837 56.655 31.588  1.000 50.160  ? 209 SER LLL CA   1 
ATOM   6385 C C    . SER B 2 209 ? -20.223 56.398 33.032  1.000 49.204  ? 209 SER LLL C    1 
ATOM   6386 O O    . SER B 2 209 ? -21.350 55.941 33.290  1.000 45.267  ? 209 SER LLL O    1 
ATOM   6387 C CB   . SER B 2 209 ? -20.161 58.076 31.272  1.000 51.321  ? 209 SER LLL CB   1 
ATOM   6388 O OG   . SER B 2 209 ? -19.845 58.331 29.928  1.000 58.502  ? 209 SER LLL OG   1 
ATOM   6389 H H    . SER B 2 209 ? -21.413 55.594 30.928  1.000 50.162  ? 209 SER LLL H    1 
ATOM   6390 H HA   . SER B 2 209 ? -18.860 56.514 31.487  1.000 49.680  ? 209 SER LLL HA   1 
ATOM   6391 H HB2  . SER B 2 209 ? -21.119 58.241 31.427  1.000 53.110  ? 209 SER LLL HB2  1 
ATOM   6392 H HB3  . SER B 2 209 ? -19.642 58.673 31.857  1.000 53.170  ? 209 SER LLL HB3  1 
ATOM   6393 H HG   . SER B 2 209 ? -20.056 59.134 29.769  0.000 30.000  ? 209 SER LLL HG   1 
ATOM   6394 N N    . PHE B 2 210 ? -19.323 56.768 33.931  1.000 48.394  ? 210 PHE LLL N    1 
ATOM   6395 C CA   . PHE B 2 210 ? -19.644 56.988 35.354  1.000 50.183  ? 210 PHE LLL CA   1 
ATOM   6396 C C    . PHE B 2 210 ? -18.783 58.174 35.795  1.000 51.200  ? 210 PHE LLL C    1 
ATOM   6397 O O    . PHE B 2 210 ? -17.829 58.545 35.046  1.000 49.255  ? 210 PHE LLL O    1 
ATOM   6398 C CB   . PHE B 2 210 ? -19.463 55.695 36.167  1.000 49.079  ? 210 PHE LLL CB   1 
ATOM   6399 C CG   . PHE B 2 210 ? -18.030 55.273 36.348  1.000 48.438  ? 210 PHE LLL CG   1 
ATOM   6400 C CD1  . PHE B 2 210 ? -17.273 55.786 37.383  1.000 50.349  ? 210 PHE LLL CD1  1 
ATOM   6401 C CD2  . PHE B 2 210 ? -17.434 54.384 35.472  1.000 48.347  ? 210 PHE LLL CD2  1 
ATOM   6402 C CE1  . PHE B 2 210 ? -15.940 55.436 37.526  1.000 50.097  ? 210 PHE LLL CE1  1 
ATOM   6403 C CE2  . PHE B 2 210 ? -16.110 54.010 35.631  1.000 48.346  ? 210 PHE LLL CE2  1 
ATOM   6404 C CZ   . PHE B 2 210 ? -15.363 54.555 36.641  1.000 48.988  ? 210 PHE LLL CZ   1 
ATOM   6405 H H    . PHE B 2 210 ? -18.442 56.905 33.739  1.000 48.901  ? 210 PHE LLL H    1 
ATOM   6406 H HA   . PHE B 2 210 ? -20.594 57.262 35.418  1.000 50.187  ? 210 PHE LLL HA   1 
ATOM   6407 H HB2  . PHE B 2 210 ? -19.869 55.824 37.050  1.000 49.606  ? 210 PHE LLL HB2  1 
ATOM   6408 H HB3  . PHE B 2 210 ? -19.951 54.974 35.716  1.000 48.722  ? 210 PHE LLL HB3  1 
ATOM   6409 H HD1  . PHE B 2 210 ? -17.659 56.410 37.976  1.000 50.588  ? 210 PHE LLL HD1  1 
ATOM   6410 H HD2  . PHE B 2 210 ? -17.940 54.023 34.761  1.000 47.836  ? 210 PHE LLL HD2  1 
ATOM   6411 H HE1  . PHE B 2 210 ? -15.434 55.794 38.236  1.000 50.630  ? 210 PHE LLL HE1  1 
ATOM   6412 H HE2  . PHE B 2 210 ? -15.716 53.409 35.023  1.000 47.733  ? 210 PHE LLL HE2  1 
ATOM   6413 H HZ   . PHE B 2 210 ? -14.464 54.291 36.757  1.000 49.103  ? 210 PHE LLL HZ   1 
ATOM   6414 N N    . ASN B 2 211 ? -19.155 58.754 36.936  1.000 52.511  ? 211 ASN LLL N    1 
ATOM   6415 C CA   . ASN B 2 211 ? -18.375 59.787 37.669  1.000 54.891  ? 211 ASN LLL CA   1 
ATOM   6416 C C    . ASN B 2 211 ? -17.796 59.139 38.921  1.000 55.522  ? 211 ASN LLL C    1 
ATOM   6417 O O    . ASN B 2 211 ? -18.597 58.532 39.651  1.000 54.711  ? 211 ASN LLL O    1 
ATOM   6418 C CB   . ASN B 2 211 ? -19.269 60.973 38.030  1.000 57.778  ? 211 ASN LLL CB   1 
ATOM   6419 C CG   . ASN B 2 211 ? -19.962 61.518 36.805  1.000 58.796  ? 211 ASN LLL CG   1 
ATOM   6420 O OD1  . ASN B 2 211 ? -21.189 61.621 36.772  1.000 61.919  ? 211 ASN LLL OD1  1 
ATOM   6421 N ND2  . ASN B 2 211 ? -19.183 61.823 35.780  1.000 59.899  ? 211 ASN LLL ND2  1 
ATOM   6422 H H    . ASN B 2 211 ? -19.939 58.543 37.349  1.000 52.785  ? 211 ASN LLL H    1 
ATOM   6423 H HA   . ASN B 2 211 ? -17.645 60.108 37.095  1.000 55.103  ? 211 ASN LLL HA   1 
ATOM   6424 H HB2  . ASN B 2 211 ? -19.940 60.685 38.683  1.000 57.610  ? 211 ASN LLL HB2  1 
ATOM   6425 H HB3  . ASN B 2 211 ? -18.724 61.677 38.437  1.000 58.196  ? 211 ASN LLL HB3  1 
ATOM   6426 H HD21 . ASN B 2 211 ? -19.540 62.167 35.048  0.000 30.000  ? 211 ASN LLL HD21 1 
ATOM   6427 H HD22 . ASN B 2 211 ? -18.313 61.727 35.850  0.000 30.000  ? 211 ASN LLL HD22 1 
ATOM   6428 N N    . ARG B 2 212 ? -16.473 59.205 39.121  1.000 57.047  ? 212 ARG LLL N    1 
ATOM   6429 C CA   . ARG B 2 212 ? -15.779 58.694 40.337  1.000 59.073  ? 212 ARG LLL CA   1 
ATOM   6430 C C    . ARG B 2 212 ? -16.475 59.326 41.551  1.000 61.518  ? 212 ARG LLL C    1 
ATOM   6431 O O    . ARG B 2 212 ? -16.513 60.539 41.563  1.000 63.539  ? 212 ARG LLL O    1 
ATOM   6432 C CB   . ARG B 2 212 ? -14.290 59.054 40.246  1.000 59.862  ? 212 ARG LLL CB   1 
ATOM   6433 C CG   . ARG B 2 212 ? -13.446 58.537 41.401  1.000 59.250  ? 212 ARG LLL CG   1 
ATOM   6434 C CD   . ARG B 2 212 ? -12.006 58.998 41.308  1.000 60.933  ? 212 ARG LLL CD   1 
ATOM   6435 N NE   . ARG B 2 212 ? -11.851 60.414 41.004  1.000 61.794  ? 212 ARG LLL NE   1 
ATOM   6436 C CZ   . ARG B 2 212 ? -12.059 61.419 41.855  1.000 64.033  ? 212 ARG LLL CZ   1 
ATOM   6437 N NH1  . ARG B 2 212 ? -12.431 61.192 43.100  1.000 65.824  ? 212 ARG LLL NH1  1 
ATOM   6438 N NH2  . ARG B 2 212 ? -11.883 62.665 41.458  1.000 65.116  ? 212 ARG LLL NH2  1 
ATOM   6439 H H    . ARG B 2 212 ? -15.909 59.577 38.509  1.000 57.166  ? 212 ARG LLL H    1 
ATOM   6440 H HA   . ARG B 2 212 ? -15.879 57.715 40.376  1.000 58.535  ? 212 ARG LLL HA   1 
ATOM   6441 H HB2  . ARG B 2 212 ? -13.933 58.691 39.409  1.000 58.896  ? 212 ARG LLL HB2  1 
ATOM   6442 H HB3  . ARG B 2 212 ? -14.210 60.029 40.209  1.000 60.164  ? 212 ARG LLL HB3  1 
ATOM   6443 H HG2  . ARG B 2 212 ? -13.828 58.849 42.248  1.000 60.397  ? 212 ARG LLL HG2  1 
ATOM   6444 H HG3  . ARG B 2 212 ? -13.468 57.556 41.403  1.000 59.133  ? 212 ARG LLL HG3  1 
ATOM   6445 H HD2  . ARG B 2 212 ? -11.556 58.804 42.156  1.000 61.416  ? 212 ARG LLL HD2  1 
ATOM   6446 H HD3  . ARG B 2 212 ? -11.554 58.479 40.611  1.000 60.078  ? 212 ARG LLL HD3  1 
ATOM   6447 H HE   . ARG B 2 212 ? -11.605 60.623 40.194  1.000 61.917  ? 212 ARG LLL HE   1 
ATOM   6448 H HH11 . ARG B 2 212 ? -12.552 60.371 43.384  1.000 64.880  ? 212 ARG LLL HH11 1 
ATOM   6449 H HH12 . ARG B 2 212 ? -12.562 61.868 43.647  1.000 66.143  ? 212 ARG LLL HH12 1 
ATOM   6450 H HH21 . ARG B 2 212 ? -11.633 62.832 40.629  1.000 64.822  ? 212 ARG LLL HH21 1 
ATOM   6451 H HH22 . ARG B 2 212 ? -12.018 63.330 42.020  1.000 65.851  ? 212 ARG LLL HH22 1 
ATOM   6452 N N    . GLY B 2 213 ? -17.090 58.538 42.452  1.000 65.235  ? 213 GLY LLL N    1 
ATOM   6453 C CA   . GLY B 2 213 ? -18.166 58.994 43.371  1.000 68.713  ? 213 GLY LLL CA   1 
ATOM   6454 C C    . GLY B 2 213 ? -19.495 58.279 43.124  1.000 69.596  ? 213 GLY LLL C    1 
ATOM   6455 O O    . GLY B 2 213 ? -20.508 58.832 42.636  1.000 70.017  ? 213 GLY LLL O    1 
ATOM   6456 H H    . GLY B 2 213 ? -16.872 57.658 42.548  1.000 64.588  ? 213 GLY LLL H    1 
ATOM   6457 H HA2  . GLY B 2 213 ? -17.879 58.832 44.304  1.000 69.033  ? 213 GLY LLL HA2  1 
ATOM   6458 H HA3  . GLY B 2 213 ? -18.296 59.969 43.258  1.000 68.791  ? 213 GLY LLL HA3  1 
HETATM 6459 C C1   . GOL C 3 .   ? 9.104   10.997 7.458   1.000 62.866  ? 301 GOL HHH C1   1 
HETATM 6460 O O1   . GOL C 3 .   ? 10.386  11.192 6.847   1.000 60.189  ? 301 GOL HHH O1   1 
HETATM 6461 C C2   . GOL C 3 .   ? 8.557   12.293 8.007   1.000 56.923  ? 301 GOL HHH C2   1 
HETATM 6462 O O2   . GOL C 3 .   ? 9.422   13.312 7.505   1.000 59.654  ? 301 GOL HHH O2   1 
HETATM 6463 C C3   . GOL C 3 .   ? 7.096   12.583 7.648   1.000 57.496  ? 301 GOL HHH C3   1 
HETATM 6464 O O3   . GOL C 3 .   ? 6.653   13.941 7.923   1.000 50.190  ? 301 GOL HHH O3   1 
HETATM 6465 H H11  . GOL C 3 .   ? 9.188   10.344 8.192   1.000 60.081  ? 301 GOL HHH H11  1 
HETATM 6466 H H12  . GOL C 3 .   ? 8.474   10.633 6.789   1.000 61.333  ? 301 GOL HHH H12  1 
HETATM 6467 H HO1  . GOL C 3 .   ? 10.636  10.445 6.529   0.000 30.000  ? 301 GOL HHH HO1  1 
HETATM 6468 H H2   . GOL C 3 .   ? 8.635   12.270 8.990   1.000 57.620  ? 301 GOL HHH H2   1 
HETATM 6469 H HO2  . GOL C 3 .   ? 8.977   13.847 7.153   0.000 30.000  ? 301 GOL HHH HO2  1 
HETATM 6470 H H31  . GOL C 3 .   ? 6.523   11.963 8.152   1.000 55.240  ? 301 GOL HHH H31  1 
HETATM 6471 H H32  . GOL C 3 .   ? 6.966   12.400 6.688   1.000 56.480  ? 301 GOL HHH H32  1 
HETATM 6472 H HO3  . GOL C 3 .   ? 7.192   14.475 7.550   1.000 52.557  ? 301 GOL HHH HO3  1 
HETATM 6473 S S    . SO4 D 4 .   ? 10.377  11.312 -0.695  0.500 44.576  ? 302 SO4 HHH S    1 
HETATM 6474 O O1   . SO4 D 4 .   ? 9.718   10.068 -1.010  1.000 113.040 ? 302 SO4 HHH O1   1 
HETATM 6475 O O2   . SO4 D 4 .   ? 10.244  12.168 -1.865  1.000 82.046  ? 302 SO4 HHH O2   1 
HETATM 6476 O O3   . SO4 D 4 .   ? 11.747  11.075 -0.378  0.500 38.036  ? 302 SO4 HHH O3   1 
HETATM 6477 O O4   . SO4 D 4 .   ? 9.725   11.925 0.427   1.000 63.195  ? 302 SO4 HHH O4   1 
HETATM 6478 O O    . HOH E 5 .   ? 8.580   8.337  -1.437  1.000 35.008  ? 401 HOH HHH O    1 
HETATM 6479 O O    . HOH E 5 .   ? 8.089   10.587 -2.626  1.000 50.260  ? 402 HOH HHH O    1 
HETATM 6480 O O    . HOH E 5 .   ? -15.889 30.593 32.608  1.000 49.542  ? 403 HOH HHH O    1 
HETATM 6481 O O    . HOH E 5 .   ? 0.653   44.036 36.687  1.000 45.279  ? 404 HOH HHH O    1 
HETATM 6482 O O    . HOH E 5 .   ? -19.994 48.252 38.977  1.000 48.876  ? 405 HOH HHH O    1 
HETATM 6483 O O    . HOH E 5 .   ? -22.744 48.168 44.588  1.000 69.242  ? 406 HOH HHH O    1 
HETATM 6484 O O    . HOH E 5 .   ? 1.147   34.097 26.961  1.000 35.688  ? 407 HOH HHH O    1 
HETATM 6485 O O    . HOH E 5 .   ? 17.364  32.460 21.697  1.000 55.909  ? 408 HOH HHH O    1 
HETATM 6486 O O    . HOH E 5 .   ? 3.944   -0.076 17.742  1.000 37.871  ? 409 HOH HHH O    1 
HETATM 6487 O O    . HOH E 5 .   ? 13.897  32.711 21.480  1.000 49.232  ? 410 HOH HHH O    1 
HETATM 6488 O O    . HOH E 5 .   ? 5.558   33.275 22.122  1.000 40.986  ? 411 HOH HHH O    1 
HETATM 6489 O O    . HOH E 5 .   ? 7.162   19.837 29.967  1.000 34.725  ? 412 HOH HHH O    1 
HETATM 6490 O O    . HOH E 5 .   ? 4.461   42.429 29.018  1.000 51.369  ? 413 HOH HHH O    1 
HETATM 6491 O O    . HOH E 5 .   ? 19.295  13.360 18.470  1.000 35.704  ? 414 HOH HHH O    1 
HETATM 6492 O O    . HOH E 5 .   ? 15.132  37.488 33.191  1.000 46.179  ? 415 HOH HHH O    1 
HETATM 6493 O O    . HOH E 5 .   ? 5.349   37.376 31.489  1.000 32.663  ? 416 HOH HHH O    1 
HETATM 6494 O O    . HOH E 5 .   ? 10.227  1.575  23.059  1.000 34.672  ? 417 HOH HHH O    1 
HETATM 6495 O O    . HOH E 5 .   ? 0.310   9.817  10.062  1.000 35.590  ? 418 HOH HHH O    1 
HETATM 6496 O O    . HOH E 5 .   ? -5.604  37.854 24.766  1.000 41.627  ? 419 HOH HHH O    1 
HETATM 6497 O O    . HOH E 5 .   ? 8.717   25.417 10.602  1.000 39.330  ? 420 HOH HHH O    1 
HETATM 6498 O O    . HOH E 5 .   ? 1.501   34.695 21.010  1.000 45.508  ? 421 HOH HHH O    1 
HETATM 6499 O O    . HOH E 5 .   ? -4.385  21.718 22.258  1.000 43.265  ? 422 HOH HHH O    1 
HETATM 6500 O O    . HOH E 5 .   ? -5.382  13.975 13.492  1.000 37.025  ? 423 HOH HHH O    1 
HETATM 6501 O O    . HOH E 5 .   ? 8.560   11.888 30.795  1.000 34.768  ? 424 HOH HHH O    1 
HETATM 6502 O O    . HOH E 5 .   ? 16.865  3.167  26.063  1.000 37.237  ? 425 HOH HHH O    1 
HETATM 6503 O O    . HOH E 5 .   ? -24.247 38.302 45.225  1.000 47.642  ? 426 HOH HHH O    1 
HETATM 6504 O O    . HOH E 5 .   ? 1.323   19.035 29.372  1.000 41.778  ? 427 HOH HHH O    1 
HETATM 6505 O O    . HOH E 5 .   ? 4.178   3.201  3.087   1.000 49.751  ? 428 HOH HHH O    1 
HETATM 6506 O O    . HOH E 5 .   ? -6.375  31.325 31.476  1.000 41.966  ? 429 HOH HHH O    1 
HETATM 6507 O O    . HOH E 5 .   ? 1.195   26.778 32.993  1.000 36.612  ? 430 HOH HHH O    1 
HETATM 6508 O O    . HOH E 5 .   ? 16.975  35.461 32.716  1.000 47.486  ? 431 HOH HHH O    1 
HETATM 6509 O O    . HOH E 5 .   ? -23.867 37.422 28.546  1.000 49.834  ? 432 HOH HHH O    1 
HETATM 6510 O O    . HOH E 5 .   ? 21.552  31.214 27.901  1.000 56.413  ? 433 HOH HHH O    1 
HETATM 6511 O O    . HOH E 5 .   ? 16.290  1.514  19.895  1.000 47.446  ? 434 HOH HHH O    1 
HETATM 6512 O O    . HOH E 5 .   ? -20.095 28.312 35.975  1.000 49.222  ? 435 HOH HHH O    1 
HETATM 6513 O O    . HOH E 5 .   ? 19.803  27.743 27.696  1.000 46.163  ? 436 HOH HHH O    1 
HETATM 6514 O O    . HOH E 5 .   ? -0.660  28.421 22.528  1.000 37.213  ? 437 HOH HHH O    1 
HETATM 6515 O O    . HOH E 5 .   ? -34.904 41.820 35.790  1.000 53.542  ? 438 HOH HHH O    1 
HETATM 6516 O O    . HOH E 5 .   ? 3.554   27.669 31.612  1.000 33.719  ? 439 HOH HHH O    1 
HETATM 6517 O O    . HOH E 5 .   ? 1.617   31.547 30.467  1.000 38.056  ? 440 HOH HHH O    1 
HETATM 6518 O O    . HOH E 5 .   ? 6.252   34.880 27.779  1.000 36.372  ? 441 HOH HHH O    1 
HETATM 6519 O O    . HOH E 5 .   ? 6.357   7.503  7.487   1.000 38.376  ? 442 HOH HHH O    1 
HETATM 6520 O O    . HOH E 5 .   ? 0.400   7.921  13.364  1.000 30.472  ? 443 HOH HHH O    1 
HETATM 6521 O O    . HOH E 5 .   ? 18.698  21.977 22.928  1.000 45.477  ? 444 HOH HHH O    1 
HETATM 6522 O O    . HOH E 5 .   ? -3.430  29.879 18.632  1.000 46.585  ? 445 HOH HHH O    1 
HETATM 6523 O O    . HOH E 5 .   ? 2.685   6.275  5.331   1.000 42.436  ? 446 HOH HHH O    1 
HETATM 6524 O O    . HOH E 5 .   ? -9.997  32.629 29.450  1.000 48.838  ? 447 HOH HHH O    1 
HETATM 6525 O O    . HOH E 5 .   ? 10.853  -0.783 15.830  1.000 54.798  ? 448 HOH HHH O    1 
HETATM 6526 O O    . HOH E 5 .   ? -7.411  43.265 32.463  1.000 48.019  ? 449 HOH HHH O    1 
HETATM 6527 O O    . HOH E 5 .   ? -6.714  33.067 28.884  1.000 44.219  ? 450 HOH HHH O    1 
HETATM 6528 O O    . HOH E 5 .   ? 18.928  10.661 18.003  1.000 42.186  ? 451 HOH HHH O    1 
HETATM 6529 O O    . HOH E 5 .   ? 11.951  -1.111 20.053  1.000 51.425  ? 452 HOH HHH O    1 
HETATM 6530 O O    . HOH E 5 .   ? -17.017 31.822 28.594  1.000 43.861  ? 453 HOH HHH O    1 
HETATM 6531 O O    . HOH E 5 .   ? 6.809   30.270 20.185  1.000 46.771  ? 454 HOH HHH O    1 
HETATM 6532 O O    . HOH E 5 .   ? 17.998  31.948 32.998  1.000 71.225  ? 455 HOH HHH O    1 
HETATM 6533 O O    . HOH E 5 .   ? 0.469   22.302 29.416  1.000 38.009  ? 456 HOH HHH O    1 
HETATM 6534 O O    . HOH E 5 .   ? -7.981  38.543 45.673  1.000 56.053  ? 457 HOH HHH O    1 
HETATM 6535 O O    . HOH E 5 .   ? 2.579   4.404  8.274   1.000 41.580  ? 458 HOH HHH O    1 
HETATM 6536 O O    . HOH E 5 .   ? 11.496  31.715 18.766  1.000 40.546  ? 459 HOH HHH O    1 
HETATM 6537 O O    . HOH E 5 .   ? -2.465  11.331 22.718  1.000 53.165  ? 460 HOH HHH O    1 
HETATM 6538 O O    . HOH E 5 .   ? 9.086   9.086  30.513  0.500 30.505  ? 461 HOH HHH O    1 
HETATM 6539 O O    . HOH E 5 .   ? 3.141   29.826 16.906  1.000 33.534  ? 462 HOH HHH O    1 
HETATM 6540 O O    . HOH E 5 .   ? -12.576 29.453 32.893  1.000 45.758  ? 463 HOH HHH O    1 
HETATM 6541 O O    . HOH E 5 .   ? -1.895  40.012 25.640  1.000 40.126  ? 464 HOH HHH O    1 
HETATM 6542 O O    . HOH E 5 .   ? -24.113 46.269 35.270  1.000 59.891  ? 465 HOH HHH O    1 
HETATM 6543 O O    . HOH E 5 .   ? 4.776   0.038  6.544   1.000 57.431  ? 466 HOH HHH O    1 
HETATM 6544 O O    . HOH E 5 .   ? 5.998   9.848  8.634   1.000 33.720  ? 467 HOH HHH O    1 
HETATM 6545 O O    . HOH E 5 .   ? 13.265  27.138 9.869   1.000 39.845  ? 468 HOH HHH O    1 
HETATM 6546 O O    . HOH E 5 .   ? 14.325  29.206 34.580  1.000 41.881  ? 469 HOH HHH O    1 
HETATM 6547 O O    . HOH E 5 .   ? -0.483  2.060  16.805  1.000 47.438  ? 470 HOH HHH O    1 
HETATM 6548 O O    . HOH E 5 .   ? 14.366  5.464  20.396  1.000 40.188  ? 471 HOH HHH O    1 
HETATM 6549 O O    . HOH E 5 .   ? 17.880  25.747 32.265  1.000 43.168  ? 472 HOH HHH O    1 
HETATM 6550 O O    . HOH E 5 .   ? -4.658  12.981 18.100  1.000 42.713  ? 473 HOH HHH O    1 
HETATM 6551 O O    . HOH E 5 .   ? 0.883   20.831 33.902  1.000 43.508  ? 474 HOH HHH O    1 
HETATM 6552 O O    . HOH E 5 .   ? 10.970  16.130 30.415  1.000 49.361  ? 475 HOH HHH O    1 
HETATM 6553 O O    . HOH E 5 .   ? 8.290   25.366 35.857  1.000 49.662  ? 476 HOH HHH O    1 
HETATM 6554 O O    . HOH E 5 .   ? -5.550  26.893 36.625  1.000 47.849  ? 477 HOH HHH O    1 
HETATM 6555 O O    . HOH E 5 .   ? 17.635  9.570  20.207  1.000 35.143  ? 478 HOH HHH O    1 
HETATM 6556 O O    . HOH E 5 .   ? -27.126 28.726 34.212  1.000 46.766  ? 479 HOH HHH O    1 
HETATM 6557 O O    . HOH E 5 .   ? -2.585  32.908 26.761  1.000 51.616  ? 480 HOH HHH O    1 
HETATM 6558 O O    . HOH E 5 .   ? 5.919   25.537 10.224  1.000 33.636  ? 481 HOH HHH O    1 
HETATM 6559 O O    . HOH E 5 .   ? 17.115  4.982  22.959  1.000 44.560  ? 482 HOH HHH O    1 
HETATM 6560 O O    . HOH E 5 .   ? 4.514   35.302 29.856  1.000 29.340  ? 483 HOH HHH O    1 
HETATM 6561 O O    . HOH E 5 .   ? -0.392  46.556 30.458  1.000 51.427  ? 484 HOH HHH O    1 
HETATM 6562 O O    . HOH E 5 .   ? 20.134  12.785 11.575  1.000 45.186  ? 485 HOH HHH O    1 
HETATM 6563 O O    . HOH E 5 .   ? 16.414  16.040 23.681  1.000 31.802  ? 486 HOH HHH O    1 
HETATM 6564 O O    . HOH E 5 .   ? 18.244  33.797 25.641  1.000 52.863  ? 487 HOH HHH O    1 
HETATM 6565 O O    . HOH E 5 .   ? -26.948 29.754 40.342  1.000 47.020  ? 488 HOH HHH O    1 
HETATM 6566 O O    . HOH E 5 .   ? 1.173   -1.173 15.257  0.500 34.482  ? 489 HOH HHH O    1 
HETATM 6567 O O    . HOH E 5 .   ? 18.463  18.810 10.736  1.000 46.098  ? 490 HOH HHH O    1 
HETATM 6568 O O    . HOH E 5 .   ? 8.376   30.631 38.719  1.000 50.476  ? 491 HOH HHH O    1 
HETATM 6569 O O    . HOH E 5 .   ? 1.084   46.353 33.405  1.000 58.888  ? 492 HOH HHH O    1 
HETATM 6570 O O    . HOH E 5 .   ? 5.352   47.703 33.034  1.000 52.542  ? 493 HOH HHH O    1 
HETATM 6571 O O    . HOH E 5 .   ? -16.198 37.520 49.128  1.000 58.498  ? 494 HOH HHH O    1 
HETATM 6572 O O    . HOH E 5 .   ? 4.148   27.419 37.360  1.000 57.664  ? 495 HOH HHH O    1 
HETATM 6573 O O    . HOH E 5 .   ? -10.058 39.778 29.700  1.000 44.454  ? 496 HOH HHH O    1 
HETATM 6574 O O    . HOH E 5 .   ? 3.279   32.075 13.558  1.000 63.591  ? 497 HOH HHH O    1 
HETATM 6575 O O    . HOH E 5 .   ? -2.822  2.822  15.257  0.500 50.105  ? 498 HOH HHH O    1 
HETATM 6576 O O    . HOH E 5 .   ? 10.257  31.207 36.683  1.000 49.859  ? 499 HOH HHH O    1 
HETATM 6577 O O    . HOH E 5 .   ? 5.565   29.581 17.377  1.000 55.068  ? 500 HOH HHH O    1 
HETATM 6578 O O    . HOH E 5 .   ? 5.519   42.829 38.177  1.000 54.132  ? 501 HOH HHH O    1 
HETATM 6579 O O    . HOH E 5 .   ? -5.719  29.665 29.045  1.000 52.648  ? 502 HOH HHH O    1 
HETATM 6580 O O    . HOH E 5 .   ? 5.566   36.502 25.961  1.000 41.592  ? 503 HOH HHH O    1 
HETATM 6581 O O    . HOH E 5 .   ? 0.609   31.305 27.432  1.000 45.049  ? 504 HOH HHH O    1 
HETATM 6582 O O    . HOH E 5 .   ? 6.634   38.682 27.321  1.000 49.347  ? 505 HOH HHH O    1 
HETATM 6583 O O    . HOH E 5 .   ? 3.108   25.998 35.308  1.000 40.035  ? 506 HOH HHH O    1 
HETATM 6584 O O    . HOH E 5 .   ? -1.254  34.887 26.282  1.000 43.598  ? 507 HOH HHH O    1 
HETATM 6585 O O    . HOH E 5 .   ? -2.980  28.700 28.633  1.000 50.713  ? 508 HOH HHH O    1 
HETATM 6586 O O    . HOH E 5 .   ? -1.525  30.134 26.849  1.000 41.557  ? 509 HOH HHH O    1 
HETATM 6587 O O    . HOH E 5 .   ? -1.604  28.253 25.026  1.000 46.352  ? 510 HOH HHH O    1 
HETATM 6588 O O    . HOH F 5 .   ? -14.368 54.839 41.934  1.000 48.744  ? 301 HOH LLL O    1 
HETATM 6589 O O    . HOH F 5 .   ? 11.184  16.603 5.982   1.000 52.735  ? 302 HOH LLL O    1 
HETATM 6590 O O    . HOH F 5 .   ? -5.261  19.753 -1.298  1.000 35.827  ? 303 HOH LLL O    1 
HETATM 6591 O O    . HOH F 5 .   ? -6.042  24.730 19.753  1.000 47.911  ? 304 HOH LLL O    1 
HETATM 6592 O O    . HOH F 5 .   ? 3.368   31.196 -0.703  1.000 47.387  ? 305 HOH LLL O    1 
HETATM 6593 O O    . HOH F 5 .   ? -20.638 29.251 -0.414  1.000 53.944  ? 306 HOH LLL O    1 
HETATM 6594 O O    . HOH F 5 .   ? 1.511   10.921 2.790   1.000 33.681  ? 307 HOH LLL O    1 
HETATM 6595 O O    . HOH F 5 .   ? -11.086 48.296 20.382  1.000 45.409  ? 308 HOH LLL O    1 
HETATM 6596 O O    . HOH F 5 .   ? -1.623  49.394 26.968  1.000 55.690  ? 309 HOH LLL O    1 
HETATM 6597 O O    . HOH F 5 .   ? 13.348  28.226 7.343   1.000 55.576  ? 310 HOH LLL O    1 
HETATM 6598 O O    . HOH F 5 .   ? -9.514  48.325 24.243  1.000 44.041  ? 311 HOH LLL O    1 
HETATM 6599 O O    . HOH F 5 .   ? 5.176   17.281 9.506   1.000 37.539  ? 312 HOH LLL O    1 
HETATM 6600 O O    . HOH F 5 .   ? -18.923 34.738 22.524  1.000 42.403  ? 313 HOH LLL O    1 
HETATM 6601 O O    . HOH F 5 .   ? -6.018  27.710 15.498  1.000 37.353  ? 314 HOH LLL O    1 
HETATM 6602 O O    . HOH F 5 .   ? -5.041  16.665 -5.648  1.000 60.886  ? 315 HOH LLL O    1 
HETATM 6603 O O    . HOH F 5 .   ? -1.843  13.328 -4.491  1.000 54.825  ? 316 HOH LLL O    1 
HETATM 6604 O O    . HOH F 5 .   ? 2.439   16.782 9.555   1.000 32.664  ? 317 HOH LLL O    1 
HETATM 6605 O O    . HOH F 5 .   ? -20.638 58.461 21.582  1.000 50.441  ? 318 HOH LLL O    1 
HETATM 6606 O O    . HOH F 5 .   ? -7.864  12.682 11.675  1.000 39.720  ? 319 HOH LLL O    1 
HETATM 6607 O O    . HOH F 5 .   ? -7.062  28.234 3.187   1.000 35.905  ? 320 HOH LLL O    1 
HETATM 6608 O O    . HOH F 5 .   ? -10.192 43.291 29.597  1.000 36.290  ? 321 HOH LLL O    1 
HETATM 6609 O O    . HOH F 5 .   ? -11.317 46.594 40.979  1.000 39.749  ? 322 HOH LLL O    1 
HETATM 6610 O O    . HOH F 5 .   ? -13.855 35.989 2.744   1.000 48.090  ? 323 HOH LLL O    1 
HETATM 6611 O O    . HOH F 5 .   ? -13.218 47.449 37.290  1.000 37.317  ? 324 HOH LLL O    1 
HETATM 6612 O O    . HOH F 5 .   ? -12.814 43.106 17.503  1.000 52.995  ? 325 HOH LLL O    1 
HETATM 6613 O O    . HOH F 5 .   ? 0.716   28.273 11.140  1.000 37.443  ? 326 HOH LLL O    1 
HETATM 6614 O O    . HOH F 5 .   ? -5.227  47.960 31.164  1.000 43.387  ? 327 HOH LLL O    1 
HETATM 6615 O O    . HOH F 5 .   ? -4.072  31.211 13.487  1.000 50.992  ? 328 HOH LLL O    1 
HETATM 6616 O O    . HOH F 5 .   ? -26.553 58.169 14.744  1.000 38.819  ? 329 HOH LLL O    1 
HETATM 6617 O O    . HOH F 5 .   ? 10.380  24.202 3.337   1.000 37.177  ? 330 HOH LLL O    1 
HETATM 6618 O O    . HOH F 5 .   ? -14.853 54.015 19.622  1.000 46.665  ? 331 HOH LLL O    1 
HETATM 6619 O O    . HOH F 5 .   ? -12.900 35.859 18.486  1.000 42.353  ? 332 HOH LLL O    1 
HETATM 6620 O O    . HOH F 5 .   ? -3.403  50.662 25.246  1.000 49.772  ? 333 HOH LLL O    1 
HETATM 6621 O O    . HOH F 5 .   ? -10.350 14.723 -1.023  1.000 44.522  ? 334 HOH LLL O    1 
HETATM 6622 O O    . HOH F 5 .   ? -7.853  17.463 17.912  1.000 53.302  ? 335 HOH LLL O    1 
HETATM 6623 O O    . HOH F 5 .   ? -11.136 20.592 -3.016  1.000 50.320  ? 336 HOH LLL O    1 
HETATM 6624 O O    . HOH F 5 .   ? -11.064 19.723 15.289  1.000 40.533  ? 337 HOH LLL O    1 
HETATM 6625 O O    . HOH F 5 .   ? -1.732  55.926 35.773  1.000 48.768  ? 338 HOH LLL O    1 
HETATM 6626 O O    . HOH F 5 .   ? 0.911   24.740 -9.640  1.000 60.184  ? 339 HOH LLL O    1 
HETATM 6627 O O    . HOH F 5 .   ? -5.985  53.376 25.975  1.000 43.635  ? 340 HOH LLL O    1 
HETATM 6628 O O    . HOH F 5 .   ? -1.238  31.696 5.048   1.000 50.871  ? 341 HOH LLL O    1 
HETATM 6629 O O    . HOH F 5 .   ? -22.974 27.236 -1.021  1.000 52.296  ? 342 HOH LLL O    1 
HETATM 6630 O O    . HOH F 5 .   ? -4.070  52.273 23.123  1.000 51.739  ? 343 HOH LLL O    1 
HETATM 6631 O O    . HOH F 5 .   ? -14.461 32.147 23.992  1.000 47.928  ? 344 HOH LLL O    1 
HETATM 6632 O O    . HOH F 5 .   ? -26.079 42.659 22.283  1.000 40.301  ? 345 HOH LLL O    1 
HETATM 6633 O O    . HOH F 5 .   ? -9.039  20.591 16.800  1.000 31.957  ? 346 HOH LLL O    1 
HETATM 6634 O O    . HOH F 5 .   ? -19.960 29.112 22.693  1.000 46.121  ? 347 HOH LLL O    1 
HETATM 6635 O O    . HOH F 5 .   ? -8.926  38.227 21.833  1.000 45.236  ? 348 HOH LLL O    1 
HETATM 6636 O O    . HOH F 5 .   ? 4.196   29.038 5.362   1.000 38.488  ? 349 HOH LLL O    1 
HETATM 6637 O O    . HOH F 5 .   ? 2.840   31.552 5.714   1.000 49.470  ? 350 HOH LLL O    1 
HETATM 6638 O O    . HOH F 5 .   ? -14.665 29.891 13.618  1.000 45.601  ? 351 HOH LLL O    1 
HETATM 6639 O O    . HOH F 5 .   ? -23.412 55.857 30.742  1.000 50.852  ? 352 HOH LLL O    1 
HETATM 6640 O O    . HOH F 5 .   ? -16.156 29.597 -0.073  1.000 44.966  ? 353 HOH LLL O    1 
HETATM 6641 O O    . HOH F 5 .   ? -20.168 14.369 4.761   1.000 56.945  ? 354 HOH LLL O    1 
HETATM 6642 O O    . HOH F 5 .   ? 0.857   32.337 12.920  1.000 60.921  ? 355 HOH LLL O    1 
HETATM 6643 O O    . HOH F 5 .   ? -17.289 38.457 12.416  1.000 39.821  ? 356 HOH LLL O    1 
HETATM 6644 O O    . HOH F 5 .   ? -10.146 66.874 28.069  1.000 53.462  ? 357 HOH LLL O    1 
HETATM 6645 O O    . HOH F 5 .   ? -20.604 52.855 15.294  1.000 40.877  ? 358 HOH LLL O    1 
HETATM 6646 O O    . HOH F 5 .   ? -20.936 36.564 22.598  1.000 38.071  ? 359 HOH LLL O    1 
HETATM 6647 O O    . HOH F 5 .   ? -5.235  44.587 23.808  1.000 42.534  ? 360 HOH LLL O    1 
HETATM 6648 O O    . HOH F 5 .   ? -14.567 60.951 29.668  1.000 51.281  ? 361 HOH LLL O    1 
HETATM 6649 O O    . HOH F 5 .   ? -6.875  48.535 24.092  1.000 54.802  ? 362 HOH LLL O    1 
HETATM 6650 O O    . HOH F 5 .   ? -25.466 49.421 24.918  1.000 44.708  ? 363 HOH LLL O    1 
HETATM 6651 O O    . HOH F 5 .   ? -6.495  23.520 -6.349  1.000 48.990  ? 364 HOH LLL O    1 
HETATM 6652 O O    . HOH F 5 .   ? -27.790 42.269 9.065   1.000 49.712  ? 365 HOH LLL O    1 
HETATM 6653 O O    . HOH F 5 .   ? 15.057  26.196 4.113   1.000 56.185  ? 366 HOH LLL O    1 
HETATM 6654 O O    . HOH F 5 .   ? -21.888 57.760 37.694  1.000 52.505  ? 367 HOH LLL O    1 
HETATM 6655 O O    . HOH F 5 .   ? -14.875 46.661 46.820  1.000 63.748  ? 368 HOH LLL O    1 
HETATM 6656 O O    . HOH F 5 .   ? -23.271 31.667 3.183   1.000 53.739  ? 369 HOH LLL O    1 
HETATM 6657 O O    . HOH F 5 .   ? -24.744 57.154 19.312  1.000 43.665  ? 370 HOH LLL O    1 
HETATM 6658 O O    . HOH F 5 .   ? -26.368 41.681 27.310  1.000 43.825  ? 371 HOH LLL O    1 
HETATM 6659 O O    . HOH F 5 .   ? -7.060  17.923 -8.422  1.000 54.160  ? 372 HOH LLL O    1 
HETATM 6660 O O    . HOH F 5 .   ? -9.233  37.669 3.483   1.000 59.913  ? 373 HOH LLL O    1 
HETATM 6661 O O    . HOH F 5 .   ? -14.214 64.664 44.049  1.000 55.573  ? 374 HOH LLL O    1 
HETATM 6662 O O    . HOH F 5 .   ? -3.184  32.894 6.127   1.000 60.869  ? 375 HOH LLL O    1 
HETATM 6663 O O    . HOH F 5 .   ? 9.302   20.216 -2.630  1.000 42.908  ? 376 HOH LLL O    1 
HETATM 6664 O O    . HOH F 5 .   ? -0.745  67.035 37.207  1.000 68.195  ? 377 HOH LLL O    1 
HETATM 6665 O O    . HOH F 5 .   ? -2.653  48.716 30.002  1.000 58.333  ? 378 HOH LLL O    1 
HETATM 6666 O O    . HOH F 5 .   ? 10.723  27.358 10.867  1.000 47.516  ? 379 HOH LLL 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   ? 0.815 0.646 1.010 -0.054 0.116  0.008  1   GLN HHH N    
2    C CA   . GLN A 1   ? 0.820 0.675 1.027 -0.055 0.089  -0.011 1   GLN HHH CA   
3    C C    . GLN A 1   ? 0.700 0.569 0.865 -0.046 0.071  -0.006 1   GLN HHH C    
4    O O    . GLN A 1   ? 0.688 0.547 0.817 -0.039 0.078  0.009  1   GLN HHH O    
5    C CB   . GLN A 1   ? 0.947 0.822 1.202 -0.064 0.084  -0.028 1   GLN HHH CB   
6    C CG   . GLN A 1   ? 1.070 0.963 1.316 -0.063 0.078  -0.026 1   GLN HHH CG   
7    C CD   . GLN A 1   ? 1.194 1.075 1.418 -0.061 0.100  -0.008 1   GLN HHH CD   
8    O OE1  . GLN A 1   ? 1.206 1.063 1.416 -0.059 0.119  0.005  1   GLN HHH OE1  
9    N NE2  . GLN A 1   ? 1.153 1.049 1.373 -0.060 0.096  -0.008 1   GLN HHH NE2  
10   H H1   . GLN A 1   ? 0.832 0.660 1.054 -0.061 0.129  0.005  1   GLN HHH H1   
11   H H2   . GLN A 1   ? 0.822 0.655 0.991 -0.049 0.117  0.016  1   GLN HHH H2   
12   H H3   . GLN A 1   ? 0.839 0.654 1.020 -0.051 0.122  0.014  1   GLN HHH H3   
13   H HA   . GLN A 1   ? 0.822 0.671 1.037 -0.055 0.085  -0.015 1   GLN HHH HA   
14   H HB2  . GLN A 1   ? 0.933 0.817 1.201 -0.065 0.069  -0.041 1   GLN HHH HB2  
15   H HB3  . GLN A 1   ? 0.953 0.818 1.235 -0.071 0.100  -0.028 1   GLN HHH HB3  
16   H HG2  . GLN A 1   ? 1.044 0.946 1.266 -0.057 0.063  -0.027 1   GLN HHH HG2  
17   H HG3  . GLN A 1   ? 1.052 0.957 1.330 -0.068 0.075  -0.038 1   GLN HHH HG3  
20   N N    . VAL A 2   ? 0.650 0.539 0.818 -0.045 0.048  -0.018 2   VAL HHH N    
21   C CA   . VAL A 2   ? 0.619 0.520 0.752 -0.036 0.032  -0.015 2   VAL HHH CA   
22   C C    . VAL A 2   ? 0.593 0.502 0.712 -0.035 0.037  -0.006 2   VAL HHH C    
23   O O    . VAL A 2   ? 0.573 0.493 0.714 -0.040 0.037  -0.013 2   VAL HHH O    
24   C CB   . VAL A 2   ? 0.603 0.522 0.743 -0.034 0.011  -0.030 2   VAL HHH CB   
25   C CG1  . VAL A 2   ? 0.582 0.510 0.687 -0.026 -0.001 -0.025 2   VAL HHH CG1  
26   C CG2  . VAL A 2   ? 0.633 0.544 0.784 -0.033 0.005  -0.040 2   VAL HHH CG2  
27   H H    . VAL A 2   ? 0.651 0.547 0.845 -0.048 0.042  -0.031 2   VAL HHH H    
28   H HA   . VAL A 2   ? 0.625 0.517 0.737 -0.032 0.034  -0.008 2   VAL HHH HA   
29   H HB   . VAL A 2   ? 0.601 0.528 0.762 -0.037 0.008  -0.038 2   VAL HHH HB   
30   H HG11 . VAL A 2   ? 0.577 0.513 0.681 -0.027 -0.000 -0.023 2   VAL HHH HG11 
31   H HG12 . VAL A 2   ? 0.581 0.516 0.686 -0.023 -0.013 -0.033 2   VAL HHH HG12 
32   H HG13 . VAL A 2   ? 0.588 0.510 0.675 -0.023 0.003  -0.017 2   VAL HHH HG13 
33   H HG21 . VAL A 2   ? 0.633 0.534 0.766 -0.030 0.009  -0.032 2   VAL HHH HG21 
34   H HG22 . VAL A 2   ? 0.620 0.541 0.769 -0.029 -0.009 -0.048 2   VAL HHH HG22 
35   H HG23 . VAL A 2   ? 0.633 0.540 0.812 -0.039 0.011  -0.046 2   VAL HHH HG23 
36   N N    . GLN A 3   ? 0.574 0.477 0.657 -0.028 0.039  0.006  3   GLN HHH N    
37   C CA   . GLN A 3   ? 0.574 0.485 0.640 -0.025 0.041  0.013  3   GLN HHH CA   
38   C C    . GLN A 3   ? 0.507 0.423 0.542 -0.017 0.030  0.017  3   GLN HHH C    
39   O O    . GLN A 3   ? 0.531 0.437 0.549 -0.012 0.030  0.021  3   GLN HHH O    
40   C CB   . GLN A 3   ? 0.638 0.532 0.696 -0.024 0.061  0.024  3   GLN HHH CB   
41   C CG   . GLN A 3   ? 0.694 0.580 0.785 -0.032 0.077  0.022  3   GLN HHH CG   
42   C CD   . GLN A 3   ? 0.756 0.641 0.842 -0.031 0.090  0.029  3   GLN HHH CD   
43   O OE1  . GLN A 3   ? 0.856 0.724 0.918 -0.024 0.104  0.041  3   GLN HHH OE1  
44   N NE2  . GLN A 3   ? 0.789 0.693 0.893 -0.036 0.082  0.021  3   GLN HHH NE2  
45   H H    . GLN A 3   ? 0.587 0.483 0.656 -0.024 0.039  0.010  3   GLN HHH H    
46   H HA   . GLN A 3   ? 0.558 0.480 0.638 -0.029 0.036  0.007  3   GLN HHH HA   
47   H HB2  . GLN A 3   ? 0.649 0.531 0.689 -0.019 0.064  0.030  3   GLN HHH HB2  
48   H HB3  . GLN A 3   ? 0.634 0.533 0.680 -0.021 0.061  0.027  3   GLN HHH HB3  
49   H HG2  . GLN A 3   ? 0.684 0.581 0.800 -0.038 0.069  0.011  3   GLN HHH HG2  
50   H HG3  . GLN A 3   ? 0.712 0.582 0.803 -0.032 0.087  0.026  3   GLN HHH HG3  
53   N N    . LEU A 4   ? 0.490 0.420 0.520 -0.017 0.022  0.015  4   LEU HHH N    
54   C CA   . LEU A 4   ? 0.500 0.437 0.506 -0.010 0.014  0.018  4   LEU HHH CA   
55   C C    . LEU A 4   ? 0.475 0.412 0.472 -0.008 0.021  0.023  4   LEU HHH C    
56   O O    . LEU A 4   ? 0.502 0.449 0.510 -0.012 0.019  0.020  4   LEU HHH O    
57   C CB   . LEU A 4   ? 0.502 0.454 0.512 -0.011 0.001  0.012  4   LEU HHH CB   
58   C CG   . LEU A 4   ? 0.541 0.492 0.555 -0.011 -0.006 0.006  4   LEU HHH CG   
59   C CD1  . LEU A 4   ? 0.551 0.513 0.571 -0.011 -0.016 -0.001 4   LEU HHH CD1  
60   C CD2  . LEU A 4   ? 0.560 0.508 0.557 -0.005 -0.008 0.009  4   LEU HHH CD2  
61   H H    . LEU A 4   ? 0.487 0.425 0.531 -0.020 0.020  0.011  4   LEU HHH H    
62   H HA   . LEU A 4   ? 0.502 0.432 0.497 -0.006 0.015  0.021  4   LEU HHH HA   
63   H HB2  . LEU A 4   ? 0.501 0.458 0.522 -0.014 0.000  0.009  4   LEU HHH HB2  
64   H HB3  . LEU A 4   ? 0.503 0.458 0.501 -0.008 -0.002 0.014  4   LEU HHH HB3  
65   H HG   . LEU A 4   ? 0.546 0.491 0.572 -0.014 -0.002 0.004  4   LEU HHH HG   
66   H HD11 . LEU A 4   ? 0.543 0.508 0.576 -0.014 -0.016 -0.004 4   LEU HHH HD11 
67   H HD12 . LEU A 4   ? 0.548 0.509 0.568 -0.009 -0.021 -0.005 4   LEU HHH HD12 
68   H HD13 . LEU A 4   ? 0.540 0.507 0.550 -0.009 -0.018 0.002  4   LEU HHH HD13 
69   H HD21 . LEU A 4   ? 0.548 0.504 0.539 -0.003 -0.012 0.009  4   LEU HHH HD21 
70   H HD22 . LEU A 4   ? 0.558 0.504 0.558 -0.005 -0.011 0.005  4   LEU HHH HD22 
71   H HD23 . LEU A 4   ? 0.562 0.503 0.552 -0.003 -0.002 0.014  4   LEU HHH HD23 
72   N N    . VAL A 5   ? 0.458 0.385 0.435 -0.000 0.027  0.030  5   VAL HHH N    
73   C CA   . VAL A 5   ? 0.465 0.390 0.429 0.005  0.033  0.035  5   VAL HHH CA   
74   C C    . VAL A 5   ? 0.427 0.362 0.376 0.012  0.021  0.032  5   VAL HHH C    
75   O O    . VAL A 5   ? 0.427 0.358 0.362 0.019  0.017  0.032  5   VAL HHH O    
76   C CB   . VAL A 5   ? 0.500 0.403 0.447 0.012  0.048  0.044  5   VAL HHH CB   
77   C CG1  . VAL A 5   ? 0.513 0.413 0.444 0.019  0.055  0.048  5   VAL HHH CG1  
78   C CG2  . VAL A 5   ? 0.532 0.424 0.501 0.004  0.061  0.045  5   VAL HHH CG2  
79   H H    . VAL A 5   ? 0.474 0.393 0.441 0.004  0.027  0.032  5   VAL HHH H    
80   H HA   . VAL A 5   ? 0.454 0.384 0.430 -0.000 0.035  0.033  5   VAL HHH HA   
81   H HB   . VAL A 5   ? 0.511 0.409 0.443 0.019  0.045  0.045  5   VAL HHH HB   
82   H HG11 . VAL A 5   ? 0.513 0.417 0.429 0.026  0.047  0.046  5   VAL HHH HG11 
83   H HG12 . VAL A 5   ? 0.533 0.418 0.456 0.023  0.068  0.054  5   VAL HHH HG12 
84   H HG13 . VAL A 5   ? 0.501 0.410 0.448 0.013  0.056  0.045  5   VAL HHH HG13 
85   H HG21 . VAL A 5   ? 0.512 0.414 0.501 -0.004 0.060  0.041  5   VAL HHH HG21 
86   H HG22 . VAL A 5   ? 0.544 0.422 0.504 0.007  0.074  0.052  5   VAL HHH HG22 
87   H HG23 . VAL A 5   ? 0.523 0.413 0.495 0.002  0.057  0.043  5   VAL HHH HG23 
88   N N    . GLN A 6   ? 0.404 0.351 0.359 0.010  0.017  0.028  6   GLN HHH N    
89   C CA   . GLN A 6   ? 0.403 0.361 0.351 0.014  0.006  0.024  6   GLN HHH CA   
90   C C    . GLN A 6   ? 0.405 0.360 0.335 0.025  0.008  0.024  6   GLN HHH C    
91   O O    . GLN A 6   ? 0.400 0.346 0.324 0.026  0.018  0.029  6   GLN HHH O    
92   C CB   . GLN A 6   ? 0.405 0.377 0.371 0.006  0.000  0.019  6   GLN HHH CB   
93   C CG   . GLN A 6   ? 0.419 0.394 0.395 0.000  -0.004 0.017  6   GLN HHH CG   
94   C CD   . GLN A 6   ? 0.407 0.392 0.393 -0.004 -0.009 0.014  6   GLN HHH CD   
95   O OE1  . GLN A 6   ? 0.407 0.393 0.403 -0.008 -0.010 0.013  6   GLN HHH OE1  
96   N NE2  . GLN A 6   ? 0.435 0.426 0.420 -0.001 -0.013 0.011  6   GLN HHH NE2  
97   H H    . GLN A 6   ? 0.406 0.355 0.370 0.005  0.020  0.028  6   GLN HHH H    
98   H HA   . GLN A 6   ? 0.403 0.362 0.348 0.016  0.002  0.023  6   GLN HHH HA   
99   H HB2  . GLN A 6   ? 0.405 0.376 0.376 0.003  0.004  0.020  6   GLN HHH HB2  
100  H HB3  . GLN A 6   ? 0.402 0.380 0.366 0.009  -0.005 0.016  6   GLN HHH HB3  
101  H HG2  . GLN A 6   ? 0.416 0.389 0.387 0.003  -0.006 0.017  6   GLN HHH HG2  
102  H HG3  . GLN A 6   ? 0.416 0.386 0.398 -0.003 0.000  0.018  6   GLN HHH HG3  
105  N N    . SER A 7   ? 0.405 0.367 0.328 0.031  -0.002 0.018  7   SER HHH N    
106  C CA   . SER A 7   ? 0.434 0.396 0.341 0.044  -0.005 0.015  7   SER HHH CA   
107  C C    . SER A 7   ? 0.442 0.411 0.357 0.040  -0.004 0.013  7   SER HHH C    
108  O O    . SER A 7   ? 0.424 0.400 0.360 0.028  -0.004 0.012  7   SER HHH O    
109  C CB   . SER A 7   ? 0.441 0.413 0.346 0.052  -0.018 0.006  7   SER HHH CB   
110  O OG   . SER A 7   ? 0.399 0.386 0.330 0.041  -0.024 0.000  7   SER HHH OG   
111  H H    . SER A 7   ? 0.398 0.368 0.329 0.029  -0.008 0.015  7   SER HHH H    
112  H HA   . SER A 7   ? 0.455 0.404 0.344 0.051  0.001  0.021  7   SER HHH HA   
113  H HB2  . SER A 7   ? 0.444 0.418 0.341 0.060  -0.023 0.002  7   SER HHH HB2  
114  H HB3  . SER A 7   ? 0.444 0.410 0.340 0.057  -0.019 0.008  7   SER HHH HB3  
116  N N    . GLY A 8   ? 0.454 0.420 0.352 0.051  -0.005 0.010  8   GLY HHH N    
117  C CA   . GLY A 8   ? 0.458 0.428 0.362 0.050  -0.002 0.008  8   GLY HHH CA   
118  C C    . GLY A 8   ? 0.438 0.425 0.362 0.045  -0.014 -0.002 8   GLY HHH C    
119  O O    . GLY A 8   ? 0.459 0.454 0.393 0.043  -0.023 -0.008 8   GLY HHH O    
120  H H    . GLY A 8   ? 0.472 0.433 0.354 0.062  -0.007 0.010  8   GLY HHH H    
121  H HA2  . GLY A 8   ? 0.451 0.419 0.363 0.042  0.006  0.013  8   GLY HHH HA2  
122  H HA3  . GLY A 8   ? 0.475 0.439 0.360 0.060  -0.000 0.009  8   GLY HHH HA3  
123  N N    . ALA A 9   ? 0.422 0.413 0.354 0.041  -0.012 -0.004 9   ALA HHH N    
124  C CA   . ALA A 9   ? 0.434 0.437 0.387 0.036  -0.021 -0.013 9   ALA HHH CA   
125  C C    . ALA A 9   ? 0.447 0.457 0.397 0.046  -0.033 -0.025 9   ALA HHH C    
126  O O    . ALA A 9   ? 0.429 0.433 0.356 0.060  -0.035 -0.027 9   ALA HHH O    
127  C CB   . ALA A 9   ? 0.444 0.447 0.400 0.034  -0.016 -0.013 9   ALA HHH CB   
128  H H    . ALA A 9   ? 0.439 0.424 0.364 0.043  -0.005 -0.000 9   ALA HHH H    
129  H HA   . ALA A 9   ? 0.418 0.424 0.384 0.027  -0.022 -0.012 9   ALA HHH HA   
130  H HB1  . ALA A 9   ? 0.431 0.441 0.402 0.030  -0.021 -0.018 9   ALA HHH HB1  
131  H HB2  . ALA A 9   ? 0.437 0.437 0.397 0.028  -0.009 -0.007 9   ALA HHH HB2  
132  H HB3  . ALA A 9   ? 0.455 0.455 0.397 0.043  -0.015 -0.015 9   ALA HHH HB3  
133  N N    . GLU A 10  ? 0.463 0.484 0.437 0.040  -0.041 -0.034 10  GLU HHH N    
134  C CA   . GLU A 10  ? 0.473 0.503 0.453 0.049  -0.053 -0.049 10  GLU HHH CA   
135  C C    . GLU A 10  ? 0.429 0.467 0.435 0.043  -0.057 -0.059 10  GLU HHH C    
136  O O    . GLU A 10  ? 0.416 0.454 0.440 0.030  -0.051 -0.054 10  GLU HHH O    
137  C CB   . GLU A 10  ? 0.524 0.559 0.513 0.048  -0.057 -0.052 10  GLU HHH CB   
138  C CG   . GLU A 10  ? 0.606 0.631 0.567 0.057  -0.054 -0.044 10  GLU HHH CG   
139  C CD   . GLU A 10  ? 0.658 0.688 0.622 0.062  -0.061 -0.049 10  GLU HHH CD   
140  O OE1  . GLU A 10  ? 0.680 0.717 0.644 0.074  -0.073 -0.063 10  GLU HHH OE1  
141  O OE2  . GLU A 10  ? 0.681 0.707 0.646 0.054  -0.055 -0.040 10  GLU HHH OE2  
142  H H    . GLU A 10  ? 0.444 0.467 0.432 0.031  -0.038 -0.032 10  GLU HHH H    
143  H HA   . GLU A 10  ? 0.491 0.518 0.453 0.060  -0.056 -0.052 10  GLU HHH HA   
144  H HB2  . GLU A 10  ? 0.511 0.547 0.514 0.037  -0.052 -0.047 10  GLU HHH HB2  
145  H HB3  . GLU A 10  ? 0.527 0.570 0.526 0.052  -0.065 -0.063 10  GLU HHH HB3  
146  H HG2  . GLU A 10  ? 0.615 0.635 0.558 0.068  -0.056 -0.045 10  GLU HHH HG2  
147  H HG3  . GLU A 10  ? 0.595 0.613 0.552 0.050  -0.046 -0.033 10  GLU HHH HG3  
148  N N    . VAL A 11  ? 0.432 0.478 0.442 0.053  -0.068 -0.075 11  VAL HHH N    
149  C CA   . VAL A 11  ? 0.435 0.490 0.476 0.048  -0.074 -0.088 11  VAL HHH CA   
150  C C    . VAL A 11  ? 0.421 0.487 0.483 0.051  -0.085 -0.104 11  VAL HHH C    
151  O O    . VAL A 11  ? 0.450 0.519 0.495 0.066  -0.094 -0.110 11  VAL HHH O    
152  C CB   . VAL A 11  ? 0.452 0.507 0.486 0.056  -0.079 -0.097 11  VAL HHH CB   
153  C CG1  . VAL A 11  ? 0.478 0.522 0.496 0.052  -0.067 -0.082 11  VAL HHH CG1  
154  C CG2  . VAL A 11  ? 0.512 0.568 0.522 0.077  -0.091 -0.109 11  VAL HHH CG2  
155  H H    . VAL A 11  ? 0.451 0.496 0.444 0.065  -0.073 -0.079 11  VAL HHH H    
156  H HA   . VAL A 11  ? 0.419 0.472 0.473 0.036  -0.067 -0.082 11  VAL HHH HA   
157  H HB   . VAL A 11  ? 0.457 0.517 0.515 0.051  -0.082 -0.105 11  VAL HHH HB   
158  H HG11 . VAL A 11  ? 0.456 0.499 0.488 0.041  -0.062 -0.076 11  VAL HHH HG11 
159  H HG12 . VAL A 11  ? 0.477 0.521 0.491 0.058  -0.070 -0.088 11  VAL HHH HG12 
160  H HG13 . VAL A 11  ? 0.476 0.514 0.472 0.057  -0.063 -0.074 11  VAL HHH HG13 
161  H HG21 . VAL A 11  ? 0.508 0.558 0.496 0.083  -0.087 -0.100 11  VAL HHH HG21 
162  H HG22 . VAL A 11  ? 0.509 0.564 0.511 0.083  -0.092 -0.112 11  VAL HHH HG22 
163  H HG23 . VAL A 11  ? 0.501 0.566 0.528 0.080  -0.101 -0.122 11  VAL HHH HG23 
164  N N    . LYS A 12  ? 0.391 0.465 0.491 0.038  -0.082 -0.109 12  LYS HHH N    
165  C CA   . LYS A 12  ? 0.397 0.483 0.529 0.038  -0.089 -0.124 12  LYS HHH CA   
166  C C    . LYS A 12  ? 0.397 0.490 0.571 0.030  -0.090 -0.138 12  LYS HHH C    
167  O O    . LYS A 12  ? 0.411 0.494 0.589 0.020  -0.080 -0.128 12  LYS HHH O    
168  C CB   . LYS A 12  ? 0.377 0.463 0.517 0.028  -0.079 -0.113 12  LYS HHH CB   
169  C CG   . LYS A 12  ? 0.382 0.462 0.487 0.036  -0.079 -0.102 12  LYS HHH CG   
170  C CD   . LYS A 12  ? 0.413 0.501 0.511 0.053  -0.094 -0.118 12  LYS HHH CD   
171  C CE   . LYS A 12  ? 0.414 0.493 0.473 0.062  -0.093 -0.105 12  LYS HHH CE   
172  N NZ   . LYS A 12  ? 0.447 0.534 0.505 0.076  -0.105 -0.118 12  LYS HHH NZ   
173  H H    . LYS A 12  ? 0.389 0.458 0.497 0.029  -0.075 -0.102 12  LYS HHH H    
174  H HA   . LYS A 12  ? 0.405 0.497 0.529 0.050  -0.100 -0.134 12  LYS HHH HA   
175  H HB2  . LYS A 12  ? 0.372 0.450 0.514 0.018  -0.069 -0.102 12  LYS HHH HB2  
176  H HB3  . LYS A 12  ? 0.377 0.472 0.543 0.026  -0.082 -0.124 12  LYS HHH HB3  
177  H HG2  . LYS A 12  ? 0.390 0.461 0.471 0.038  -0.076 -0.093 12  LYS HHH HG2  
178  H HG3  . LYS A 12  ? 0.378 0.456 0.487 0.029  -0.072 -0.094 12  LYS HHH HG3  
179  H HD2  . LYS A 12  ? 0.402 0.501 0.526 0.050  -0.097 -0.127 12  LYS HHH HD2  
180  H HD3  . LYS A 12  ? 0.416 0.507 0.512 0.061  -0.102 -0.127 12  LYS HHH HD3  
181  H HE2  . LYS A 12  ? 0.431 0.502 0.466 0.069  -0.093 -0.101 12  LYS HHH HE2  
182  H HE3  . LYS A 12  ? 0.412 0.485 0.469 0.053  -0.083 -0.093 12  LYS HHH HE3  
183  H HZ1  . LYS A 12  ? 0.431 0.524 0.511 0.069  -0.104 -0.120 12  LYS HHH HZ1  
184  H HZ2  . LYS A 12  ? 0.449 0.528 0.482 0.083  -0.104 -0.110 12  LYS HHH HZ2  
185  H HZ3  . LYS A 12  ? 0.449 0.543 0.512 0.085  -0.116 -0.131 12  LYS HHH HZ3  
186  N N    . LYS A 13  ? 0.391 0.499 0.593 0.036  -0.103 -0.161 13  LYS HHH N    
187  C CA   . LYS A 13  ? 0.399 0.513 0.650 0.027  -0.102 -0.177 13  LYS HHH CA   
188  C C    . LYS A 13  ? 0.389 0.503 0.671 0.011  -0.086 -0.169 13  LYS HHH C    
189  O O    . LYS A 13  ? 0.386 0.502 0.660 0.011  -0.083 -0.162 13  LYS HHH O    
190  C CB   . LYS A 13  ? 0.447 0.579 0.725 0.039  -0.122 -0.207 13  LYS HHH CB   
191  C CG   . LYS A 13  ? 0.483 0.617 0.729 0.060  -0.140 -0.219 13  LYS HHH CG   
192  C CD   . LYS A 13  ? 0.524 0.649 0.764 0.058  -0.138 -0.217 13  LYS HHH CD   
193  C CE   . LYS A 13  ? 0.570 0.701 0.793 0.080  -0.158 -0.237 13  LYS HHH CE   
194  N NZ   . LYS A 13  ? 0.607 0.723 0.793 0.082  -0.152 -0.223 13  LYS HHH NZ   
195  H H    . LYS A 13  ? 0.404 0.518 0.599 0.046  -0.112 -0.169 13  LYS HHH H    
196  H HA   . LYS A 13  ? 0.405 0.512 0.652 0.025  -0.100 -0.174 13  LYS HHH HA   
197  H HB2  . LYS A 13  ? 0.441 0.581 0.724 0.041  -0.124 -0.210 13  LYS HHH HB2  
198  H HB3  . LYS A 13  ? 0.439 0.576 0.754 0.032  -0.120 -0.218 13  LYS HHH HB3  
199  H HG2  . LYS A 13  ? 0.492 0.621 0.702 0.068  -0.141 -0.208 13  LYS HHH HG2  
200  H HG3  . LYS A 13  ? 0.495 0.642 0.760 0.068  -0.154 -0.240 13  LYS HHH HG3  
201  H HD2  . LYS A 13  ? 0.513 0.640 0.787 0.047  -0.133 -0.221 13  LYS HHH HD2  
202  H HD3  . LYS A 13  ? 0.517 0.630 0.729 0.055  -0.128 -0.198 13  LYS HHH HD3  
203  H HE2  . LYS A 13  ? 0.582 0.716 0.783 0.093  -0.167 -0.241 13  LYS HHH HE2  
204  H HE3  . LYS A 13  ? 0.573 0.713 0.829 0.079  -0.166 -0.256 13  LYS HHH HE3  
205  H HZ1  . LYS A 13  ? 0.587 0.699 0.789 0.070  -0.143 -0.217 13  LYS HHH HZ1  
206  H HZ2  . LYS A 13  ? 0.611 0.730 0.789 0.095  -0.163 -0.236 13  LYS HHH HZ2  
207  H HZ3  . LYS A 13  ? 0.598 0.707 0.753 0.085  -0.146 -0.208 13  LYS HHH HZ3  
208  N N    . PRO A 14  ? 0.393 0.502 0.711 -0.002 -0.075 -0.171 14  PRO HHH N    
209  C CA   . PRO A 14  ? 0.369 0.478 0.722 -0.016 -0.059 -0.167 14  PRO HHH CA   
210  C C    . PRO A 14  ? 0.368 0.496 0.750 -0.012 -0.067 -0.185 14  PRO HHH C    
211  O O    . PRO A 14  ? 0.375 0.519 0.775 -0.002 -0.085 -0.209 14  PRO HHH O    
212  C CB   . PRO A 14  ? 0.362 0.465 0.756 -0.027 -0.050 -0.173 14  PRO HHH CB   
213  C CG   . PRO A 14  ? 0.384 0.477 0.745 -0.021 -0.056 -0.167 14  PRO HHH CG   
214  C CD   . PRO A 14  ? 0.385 0.489 0.715 -0.004 -0.077 -0.177 14  PRO HHH CD   
215  H HA   . PRO A 14  ? 0.367 0.465 0.699 -0.020 -0.048 -0.148 14  PRO HHH HA   
216  H HB2  . PRO A 14  ? 0.372 0.487 0.799 -0.026 -0.057 -0.193 14  PRO HHH HB2  
217  H HB3  . PRO A 14  ? 0.369 0.462 0.771 -0.036 -0.033 -0.161 14  PRO HHH HB3  
218  H HG2  . PRO A 14  ? 0.383 0.474 0.767 -0.024 -0.056 -0.176 14  PRO HHH HG2  
219  H HG3  . PRO A 14  ? 0.377 0.457 0.713 -0.024 -0.046 -0.149 14  PRO HHH HG3  
220  H HD2  . PRO A 14  ? 0.394 0.509 0.744 0.001  -0.088 -0.197 14  PRO HHH HD2  
221  H HD3  . PRO A 14  ? 0.389 0.486 0.688 -0.000 -0.078 -0.168 14  PRO HHH HD3  
222  N N    . GLY A 15  ? 0.358 0.486 0.743 -0.018 -0.054 -0.174 15  GLY HHH N    
223  C CA   . GLY A 15  ? 0.353 0.499 0.771 -0.016 -0.058 -0.190 15  GLY HHH CA   
224  C C    . GLY A 15  ? 0.364 0.515 0.742 -0.002 -0.073 -0.188 15  GLY HHH C    
225  O O    . GLY A 15  ? 0.331 0.494 0.726 -0.001 -0.073 -0.195 15  GLY HHH O    
226  H H    . GLY A 15  ? 0.356 0.471 0.723 -0.023 -0.042 -0.156 15  GLY HHH H    
227  H HA2  . GLY A 15  ? 0.354 0.496 0.788 -0.026 -0.043 -0.182 15  GLY HHH HA2  
228  H HA3  . GLY A 15  ? 0.360 0.517 0.810 -0.014 -0.067 -0.210 15  GLY HHH HA3  
229  N N    . ALA A 16  ? 0.369 0.511 0.697 0.009  -0.082 -0.179 16  ALA HHH N    
230  C CA   . ALA A 16  ? 0.387 0.531 0.674 0.024  -0.094 -0.175 16  ALA HHH CA   
231  C C    . ALA A 16  ? 0.373 0.505 0.636 0.017  -0.078 -0.151 16  ALA HHH C    
232  O O    . ALA A 16  ? 0.358 0.482 0.632 0.003  -0.060 -0.138 16  ALA HHH O    
233  C CB   . ALA A 16  ? 0.418 0.554 0.663 0.038  -0.106 -0.174 16  ALA HHH CB   
234  H H    . ALA A 16  ? 0.373 0.507 0.688 0.008  -0.081 -0.174 16  ALA HHH H    
235  H HA   . ALA A 16  ? 0.390 0.547 0.696 0.030  -0.103 -0.191 16  ALA HHH HA   
236  H HB1  . ALA A 16  ? 0.418 0.553 0.636 0.047  -0.111 -0.171 16  ALA HHH HB1  
237  H HB2  . ALA A 16  ? 0.418 0.562 0.678 0.043  -0.117 -0.191 16  ALA HHH HB2  
238  H HB3  . ALA A 16  ? 0.408 0.533 0.638 0.031  -0.097 -0.160 16  ALA HHH HB3  
239  N N    . SER A 17  ? 0.403 0.534 0.633 0.029  -0.086 -0.147 17  SER HHH N    
240  C CA   . SER A 17  ? 0.426 0.546 0.626 0.026  -0.076 -0.126 17  SER HHH CA   
241  C C    . SER A 17  ? 0.399 0.503 0.550 0.032  -0.077 -0.111 17  SER HHH C    
242  O O    . SER A 17  ? 0.381 0.485 0.515 0.045  -0.089 -0.119 17  SER HHH O    
243  C CB   . SER A 17  ? 0.440 0.570 0.644 0.034  -0.082 -0.134 17  SER HHH CB   
244  O OG   . SER A 17  ? 0.516 0.656 0.762 0.023  -0.073 -0.140 17  SER HHH OG   
245  H H    . SER A 17  ? 0.412 0.549 0.634 0.040  -0.099 -0.157 17  SER HHH H    
246  H HA   . SER A 17  ? 0.409 0.524 0.620 0.014  -0.063 -0.117 17  SER HHH HA   
247  H HB2  . SER A 17  ? 0.464 0.601 0.668 0.045  -0.096 -0.147 17  SER HHH HB2  
248  H HB3  . SER A 17  ? 0.457 0.577 0.633 0.036  -0.079 -0.121 17  SER HHH HB3  
250  N N    . VAL A 18  ? 0.378 0.469 0.508 0.025  -0.065 -0.092 18  VAL HHH N    
251  C CA   . VAL A 18  ? 0.396 0.472 0.484 0.031  -0.065 -0.078 18  VAL HHH CA   
252  C C    . VAL A 18  ? 0.387 0.458 0.459 0.031  -0.060 -0.067 18  VAL HHH C    
253  O O    . VAL A 18  ? 0.349 0.422 0.438 0.022  -0.052 -0.064 18  VAL HHH O    
254  C CB   . VAL A 18  ? 0.375 0.441 0.455 0.023  -0.057 -0.067 18  VAL HHH CB   
255  C CG1  . VAL A 18  ? 0.365 0.427 0.457 0.010  -0.044 -0.057 18  VAL HHH CG1  
256  C CG2  . VAL A 18  ? 0.403 0.457 0.447 0.029  -0.056 -0.056 18  VAL HHH CG2  
257  H H    . VAL A 18  ? 0.378 0.468 0.518 0.018  -0.057 -0.086 18  VAL HHH H    
258  H HA   . VAL A 18  ? 0.399 0.477 0.476 0.042  -0.074 -0.085 18  VAL HHH HA   
259  H HB   . VAL A 18  ? 0.383 0.453 0.474 0.024  -0.061 -0.075 18  VAL HHH HB   
260  H HG11 . VAL A 18  ? 0.362 0.431 0.477 0.006  -0.042 -0.063 18  VAL HHH HG11 
261  H HG12 . VAL A 18  ? 0.363 0.420 0.453 0.006  -0.041 -0.052 18  VAL HHH HG12 
262  H HG13 . VAL A 18  ? 0.364 0.421 0.443 0.009  -0.041 -0.048 18  VAL HHH HG13 
263  H HG21 . VAL A 18  ? 0.394 0.443 0.430 0.026  -0.051 -0.047 18  VAL HHH HG21 
264  H HG22 . VAL A 18  ? 0.396 0.446 0.437 0.027  -0.054 -0.053 18  VAL HHH HG22 
265  H HG23 . VAL A 18  ? 0.408 0.462 0.440 0.040  -0.063 -0.061 18  VAL HHH HG23 
266  N N    . ARG A 19  ? 0.402 0.464 0.443 0.042  -0.064 -0.062 19  ARG HHH N    
267  C CA   . ARG A 19  ? 0.464 0.516 0.487 0.042  -0.058 -0.050 19  ARG HHH CA   
268  C C    . ARG A 19  ? 0.439 0.475 0.435 0.041  -0.052 -0.036 19  ARG HHH C    
269  O O    . ARG A 19  ? 0.428 0.457 0.403 0.051  -0.055 -0.036 19  ARG HHH O    
270  C CB   . ARG A 19  ? 0.551 0.605 0.564 0.056  -0.067 -0.057 19  ARG HHH CB   
271  C CG   . ARG A 19  ? 0.644 0.716 0.689 0.056  -0.073 -0.072 19  ARG HHH CG   
272  C CD   . ARG A 19  ? 0.732 0.813 0.774 0.074  -0.089 -0.088 19  ARG HHH CD   
273  N NE   . ARG A 19  ? 0.891 0.965 0.907 0.088  -0.098 -0.091 19  ARG HHH NE   
274  C CZ   . ARG A 19  ? 0.910 0.995 0.929 0.104  -0.114 -0.109 19  ARG HHH CZ   
275  N NH1  . ARG A 19  ? 0.935 1.039 0.986 0.107  -0.124 -0.127 19  ARG HHH NH1  
276  N NH2  . ARG A 19  ? 0.939 1.014 0.927 0.119  -0.120 -0.109 19  ARG HHH NH2  
277  H H    . ARG A 19  ? 0.425 0.485 0.453 0.050  -0.070 -0.065 19  ARG HHH H    
278  H HA   . ARG A 19  ? 0.448 0.502 0.484 0.033  -0.052 -0.047 19  ARG HHH HA   
279  H HB2  . ARG A 19  ? 0.567 0.618 0.564 0.066  -0.073 -0.059 19  ARG HHH HB2  
280  H HB3  . ARG A 19  ? 0.555 0.601 0.555 0.055  -0.063 -0.048 19  ARG HHH HB3  
281  H HG2  . ARG A 19  ? 0.628 0.701 0.678 0.051  -0.068 -0.068 19  ARG HHH HG2  
282  H HG3  . ARG A 19  ? 0.624 0.704 0.690 0.049  -0.071 -0.077 19  ARG HHH HG3  
283  H HD2  . ARG A 19  ? 0.721 0.799 0.753 0.079  -0.090 -0.085 19  ARG HHH HD2  
284  H HD3  . ARG A 19  ? 0.733 0.828 0.804 0.072  -0.093 -0.100 19  ARG HHH HD3  
285  H HE   . ARG A 19  ? 0.860 0.923 0.858 0.087  -0.092 -0.081 19  ARG HHH HE   
286  H HH11 . ARG A 19  ? 0.898 1.007 0.969 0.098  -0.118 -0.127 19  ARG HHH HH11 
287  H HH12 . ARG A 19  ? 0.930 1.041 0.984 0.119  -0.136 -0.141 19  ARG HHH HH12 
288  H HH21 . ARG A 19  ? 0.937 0.999 0.906 0.116  -0.112 -0.097 19  ARG HHH HH21 
289  H HH22 . ARG A 19  ? 0.946 1.027 0.934 0.131  -0.132 -0.122 19  ARG HHH HH22 
290  N N    . VAL A 20  ? 0.407 0.437 0.404 0.030  -0.043 -0.026 20  VAL HHH N    
291  C CA   . VAL A 20  ? 0.408 0.425 0.388 0.027  -0.036 -0.014 20  VAL HHH CA   
292  C C    . VAL A 20  ? 0.429 0.436 0.395 0.030  -0.033 -0.008 20  VAL HHH C    
293  O O    . VAL A 20  ? 0.382 0.393 0.355 0.028  -0.034 -0.009 20  VAL HHH O    
294  C CB   . VAL A 20  ? 0.392 0.409 0.384 0.015  -0.030 -0.010 20  VAL HHH CB   
295  C CG1  . VAL A 20  ? 0.395 0.401 0.376 0.012  -0.024 -0.001 20  VAL HHH CG1  
296  C CG2  . VAL A 20  ? 0.401 0.425 0.407 0.013  -0.032 -0.016 20  VAL HHH CG2  
297  H H    . VAL A 20  ? 0.404 0.438 0.414 0.024  -0.040 -0.026 20  VAL HHH H    
298  H HA   . VAL A 20  ? 0.418 0.432 0.389 0.032  -0.037 -0.015 20  VAL HHH HA   
299  H HB   . VAL A 20  ? 0.390 0.409 0.390 0.012  -0.028 -0.009 20  VAL HHH HB   
300  H HG11 . VAL A 20  ? 0.396 0.398 0.373 0.012  -0.022 0.002  20  VAL HHH HG11 
301  H HG12 . VAL A 20  ? 0.388 0.395 0.377 0.007  -0.022 0.000  20  VAL HHH HG12 
302  H HG13 . VAL A 20  ? 0.403 0.405 0.375 0.017  -0.024 -0.001 20  VAL HHH HG13 
303  H HG21 . VAL A 20  ? 0.404 0.427 0.402 0.019  -0.035 -0.018 20  VAL HHH HG21 
304  H HG22 . VAL A 20  ? 0.392 0.414 0.402 0.007  -0.028 -0.012 20  VAL HHH HG22 
305  H HG23 . VAL A 20  ? 0.394 0.426 0.413 0.013  -0.035 -0.022 20  VAL HHH HG23 
306  N N    . SER A 21  ? 0.417 0.411 0.363 0.036  -0.029 -0.002 21  SER HHH N    
307  C CA   . SER A 21  ? 0.433 0.415 0.369 0.037  -0.025 0.005  21  SER HHH CA   
308  C C    . SER A 21  ? 0.419 0.393 0.359 0.027  -0.017 0.012  21  SER HHH C    
309  O O    . SER A 21  ? 0.412 0.388 0.360 0.021  -0.014 0.013  21  SER HHH O    
310  C CB   . SER A 21  ? 0.489 0.459 0.401 0.050  -0.025 0.007  21  SER HHH CB   
311  O OG   . SER A 21  ? 0.488 0.453 0.386 0.059  -0.025 0.007  21  SER HHH OG   
312  H H    . SER A 21  ? 0.432 0.422 0.370 0.039  -0.028 -0.001 21  SER HHH H    
313  H HA   . SER A 21  ? 0.429 0.417 0.373 0.035  -0.028 0.002  21  SER HHH HA   
314  H HB2  . SER A 21  ? 0.483 0.442 0.390 0.049  -0.019 0.013  21  SER HHH HB2  
315  H HB3  . SER A 21  ? 0.479 0.454 0.391 0.056  -0.031 0.002  21  SER HHH HB3  
317  N N    . CYS A 22  ? 0.422 0.389 0.361 0.026  -0.015 0.015  22  CYS HHH N    
318  C CA   . CYS A 22  ? 0.449 0.409 0.396 0.017  -0.009 0.019  22  CYS HHH CA   
319  C C    . CYS A 22  ? 0.436 0.381 0.373 0.022  -0.004 0.023  22  CYS HHH C    
320  O O    . CYS A 22  ? 0.443 0.388 0.378 0.024  -0.008 0.021  22  CYS HHH O    
321  C CB   . CYS A 22  ? 0.480 0.450 0.439 0.011  -0.013 0.015  22  CYS HHH CB   
322  S SG   . CYS A 22  ? 0.542 0.507 0.512 0.004  -0.011 0.015  22  CYS HHH SG   
323  H H    . CYS A 22  ? 0.434 0.400 0.368 0.030  -0.017 0.014  22  CYS HHH H    
324  H HA   . CYS A 22  ? 0.445 0.404 0.395 0.014  -0.005 0.020  22  CYS HHH HA   
325  H HB2  . CYS A 22  ? 0.475 0.453 0.439 0.009  -0.015 0.013  22  CYS HHH HB2  
326  H HB3  . CYS A 22  ? 0.483 0.455 0.440 0.014  -0.016 0.013  22  CYS HHH HB3  
327  N N    . LYS A 23  ? 0.443 0.374 0.370 0.025  0.005  0.029  23  LYS HHH N    
328  C CA   . LYS A 23  ? 0.477 0.389 0.393 0.030  0.012  0.034  23  LYS HHH CA   
329  C C    . LYS A 23  ? 0.486 0.392 0.421 0.020  0.018  0.034  23  LYS HHH C    
330  O O    . LYS A 23  ? 0.499 0.406 0.448 0.012  0.025  0.035  23  LYS HHH O    
331  C CB   . LYS A 23  ? 0.544 0.440 0.439 0.040  0.022  0.042  23  LYS HHH CB   
332  C CG   . LYS A 23  ? 0.574 0.445 0.458 0.044  0.034  0.050  23  LYS HHH CG   
333  C CD   . LYS A 23  ? 0.659 0.511 0.516 0.057  0.045  0.059  23  LYS HHH CD   
334  C CE   . LYS A 23  ? 0.695 0.542 0.560 0.051  0.060  0.064  23  LYS HHH CE   
335  N NZ   . LYS A 23  ? 0.753 0.572 0.589 0.064  0.077  0.076  23  LYS HHH NZ   
336  H H    . LYS A 23  ? 0.450 0.381 0.376 0.025  0.008  0.030  23  LYS HHH H    
337  H HA   . LYS A 23  ? 0.486 0.399 0.396 0.035  0.007  0.033  23  LYS HHH HA   
338  H HB2  . LYS A 23  ? 0.539 0.438 0.421 0.048  0.016  0.040  23  LYS HHH HB2  
339  H HB3  . LYS A 23  ? 0.532 0.429 0.433 0.035  0.027  0.043  23  LYS HHH HB3  
340  H HG2  . LYS A 23  ? 0.581 0.449 0.483 0.035  0.041  0.051  23  LYS HHH HG2  
341  H HG3  . LYS A 23  ? 0.586 0.457 0.466 0.048  0.029  0.048  23  LYS HHH HG3  
342  H HD2  . LYS A 23  ? 0.672 0.507 0.519 0.062  0.052  0.064  23  LYS HHH HD2  
343  H HD3  . LYS A 23  ? 0.655 0.512 0.497 0.066  0.037  0.056  23  LYS HHH HD3  
344  H HE2  . LYS A 23  ? 0.679 0.540 0.546 0.050  0.054  0.060  23  LYS HHH HE2  
345  H HE3  . LYS A 23  ? 0.681 0.530 0.569 0.039  0.064  0.063  23  LYS HHH HE3  
346  H HZ1  . LYS A 23  ? 0.759 0.564 0.597 0.063  0.085  0.080  23  LYS HHH HZ1  
347  H HZ2  . LYS A 23  ? 0.751 0.568 0.591 0.061  0.086  0.078  23  LYS HHH HZ2  
348  H HZ3  . LYS A 23  ? 0.759 0.576 0.572 0.076  0.071  0.076  23  LYS HHH HZ3  
349  N N    . ALA A 24  ? 0.493 0.395 0.432 0.019  0.015  0.032  24  ALA HHH N    
350  C CA   . ALA A 24  ? 0.522 0.418 0.481 0.010  0.019  0.029  24  ALA HHH CA   
351  C C    . ALA A 24  ? 0.523 0.396 0.481 0.012  0.035  0.037  24  ALA HHH C    
352  O O    . ALA A 24  ? 0.568 0.427 0.506 0.021  0.039  0.043  24  ALA HHH O    
353  C CB   . ALA A 24  ? 0.537 0.438 0.500 0.011  0.010  0.023  24  ALA HHH CB   
354  H H    . ALA A 24  ? 0.499 0.403 0.430 0.024  0.010  0.031  24  ALA HHH H    
355  H HA   . ALA A 24  ? 0.504 0.409 0.478 0.004  0.018  0.026  24  ALA HHH HA   
356  H HB1  . ALA A 24  ? 0.534 0.429 0.509 0.007  0.012  0.021  24  ALA HHH HB1  
357  H HB2  . ALA A 24  ? 0.517 0.431 0.482 0.010  0.003  0.019  24  ALA HHH HB2  
358  H HB3  . ALA A 24  ? 0.539 0.434 0.488 0.018  0.009  0.026  24  ALA HHH HB3  
359  N N    . SER A 25  ? 0.516 0.385 0.498 0.002  0.044  0.035  25  SER HHH N    
360  C CA   . SER A 25  ? 0.593 0.439 0.582 0.001  0.061  0.041  25  SER HHH CA   
361  C C    . SER A 25  ? 0.567 0.415 0.593 -0.010 0.060  0.030  25  SER HHH C    
362  O O    . SER A 25  ? 0.540 0.408 0.584 -0.016 0.050  0.021  25  SER HHH O    
363  C CB   . SER A 25  ? 0.636 0.467 0.614 0.005  0.079  0.052  25  SER HHH CB   
364  O OG   . SER A 25  ? 0.639 0.481 0.642 -0.005 0.083  0.047  25  SER HHH OG   
365  H H    . SER A 25  ? 0.517 0.397 0.514 -0.003 0.042  0.031  25  SER HHH H    
366  H HA   . SER A 25  ? 0.594 0.430 0.568 0.008  0.060  0.044  25  SER HHH HA   
367  H HB2  . SER A 25  ? 0.655 0.467 0.632 0.006  0.091  0.057  25  SER HHH HB2  
368  H HB3  . SER A 25  ? 0.637 0.469 0.591 0.013  0.076  0.056  25  SER HHH HB3  
370  N N    . GLY A 26  ? 0.562 0.392 0.598 -0.012 0.069  0.031  26  GLY HHH N    
371  C CA   . GLY A 26  ? 0.579 0.411 0.653 -0.021 0.066  0.017  26  GLY HHH CA   
372  C C    . GLY A 26  ? 0.574 0.416 0.647 -0.019 0.047  0.007  26  GLY HHH C    
373  O O    . GLY A 26  ? 0.609 0.453 0.712 -0.024 0.043  -0.005 26  GLY HHH O    
374  H H    . GLY A 26  ? 0.590 0.404 0.611 -0.006 0.076  0.038  26  GLY HHH H    
375  H HA2  . GLY A 26  ? 0.593 0.409 0.679 -0.024 0.079  0.020  26  GLY HHH HA2  
376  H HA3  . GLY A 26  ? 0.564 0.409 0.657 -0.027 0.064  0.011  26  GLY HHH HA3  
377  N N    . PHE A 27  ? 0.555 0.403 0.596 -0.009 0.037  0.011  27  PHE HHH N    
378  C CA   . PHE A 27  ? 0.552 0.407 0.589 -0.005 0.021  0.002  27  PHE HHH CA   
379  C C    . PHE A 27  ? 0.533 0.386 0.537 0.006  0.018  0.010  27  PHE HHH C    
380  O O    . PHE A 27  ? 0.546 0.398 0.533 0.009  0.024  0.020  27  PHE HHH O    
381  C CB   . PHE A 27  ? 0.529 0.408 0.578 -0.008 0.007  -0.009 27  PHE HHH CB   
382  C CG   . PHE A 27  ? 0.495 0.389 0.525 -0.006 0.002  -0.004 27  PHE HHH CG   
383  C CD1  . PHE A 27  ? 0.507 0.405 0.541 -0.010 0.008  -0.000 27  PHE HHH CD1  
384  C CD2  . PHE A 27  ? 0.483 0.388 0.494 0.001  -0.008 -0.005 27  PHE HHH CD2  
385  C CE1  . PHE A 27  ? 0.472 0.384 0.492 -0.008 0.003  0.003  27  PHE HHH CE1  
386  C CE2  . PHE A 27  ? 0.478 0.396 0.477 0.002  -0.012 -0.001 27  PHE HHH CE2  
387  C CZ   . PHE A 27  ? 0.486 0.408 0.490 -0.002 -0.007 0.002  27  PHE HHH CZ   
388  H H    . PHE A 27  ? 0.559 0.407 0.581 -0.005 0.038  0.018  27  PHE HHH H    
389  H HA   . PHE A 27  ? 0.556 0.402 0.608 -0.007 0.024  -0.002 27  PHE HHH HA   
390  H HB2  . PHE A 27  ? 0.524 0.406 0.573 -0.006 -0.002 -0.016 27  PHE HHH HB2  
391  H HB3  . PHE A 27  ? 0.525 0.404 0.595 -0.014 0.009  -0.014 27  PHE HHH HB3  
392  H HD1  . PHE A 27  ? 0.504 0.396 0.553 -0.014 0.016  0.000  27  PHE HHH HD1  
393  H HD2  . PHE A 27  ? 0.491 0.393 0.498 0.004  -0.012 -0.008 27  PHE HHH HD2  
394  H HE1  . PHE A 27  ? 0.479 0.394 0.502 -0.010 0.007  0.006  27  PHE HHH HE1  
395  H HE2  . PHE A 27  ? 0.475 0.399 0.464 0.006  -0.017 -0.002 27  PHE HHH HE2  
396  H HZ   . PHE A 27  ? 0.470 0.399 0.466 -0.001 -0.009 0.004  27  PHE HHH HZ   
397  N N    . VAL A 28  ? 0.495 0.384 0.449 0.025  -0.007 0.010  29  VAL HHH N    
398  C CA   . VAL A 28  ? 0.480 0.390 0.432 0.024  -0.014 0.008  29  VAL HHH CA   
399  C C    . VAL A 28  ? 0.449 0.368 0.397 0.029  -0.021 0.002  29  VAL HHH C    
400  O O    . VAL A 28  ? 0.438 0.368 0.391 0.026  -0.026 -0.003 29  VAL HHH O    
401  C CB   . VAL A 28  ? 0.517 0.432 0.457 0.028  -0.012 0.014  29  VAL HHH CB   
402  C CG1  . VAL A 28  ? 0.503 0.418 0.429 0.039  -0.016 0.014  29  VAL HHH CG1  
403  C CG2  . VAL A 28  ? 0.531 0.464 0.476 0.024  -0.016 0.011  29  VAL HHH CG2  
404  H H    . VAL A 28  ? 0.505 0.388 0.449 0.031  -0.006 0.013  29  VAL HHH H    
405  H HA   . VAL A 28  ? 0.474 0.388 0.435 0.019  -0.014 0.006  29  VAL HHH HA   
406  H HB   . VAL A 28  ? 0.519 0.424 0.457 0.028  -0.006 0.018  29  VAL HHH HB   
407  H HG11 . VAL A 28  ? 0.522 0.425 0.444 0.042  -0.014 0.015  29  VAL HHH HG11 
408  H HG12 . VAL A 28  ? 0.513 0.428 0.431 0.043  -0.015 0.016  29  VAL HHH HG12 
409  H HG13 . VAL A 28  ? 0.501 0.427 0.430 0.039  -0.021 0.009  29  VAL HHH HG13 
410  H HG21 . VAL A 28  ? 0.515 0.456 0.461 0.025  -0.020 0.008  29  VAL HHH HG21 
411  H HG22 . VAL A 28  ? 0.520 0.456 0.460 0.027  -0.016 0.013  29  VAL HHH HG22 
412  H HG23 . VAL A 28  ? 0.516 0.450 0.470 0.019  -0.015 0.011  29  VAL HHH HG23 
413  N N    . THR A 29  ? 0.487 0.396 0.429 0.036  -0.023 0.000  31  THR HHH N    
414  C CA   . THR A 29  ? 0.492 0.410 0.430 0.041  -0.028 -0.006 31  THR HHH CA   
415  C C    . THR A 29  ? 0.498 0.415 0.444 0.038  -0.032 -0.013 31  THR HHH C    
416  O O    . THR A 29  ? 0.505 0.429 0.447 0.042  -0.036 -0.018 31  THR HHH O    
417  C CB   . THR A 29  ? 0.524 0.434 0.454 0.050  -0.029 -0.005 31  THR HHH CB   
418  O OG1  . THR A 29  ? 0.543 0.432 0.474 0.049  -0.024 -0.003 31  THR HHH OG1  
419  C CG2  . THR A 29  ? 0.551 0.465 0.472 0.056  -0.028 -0.000 31  THR HHH CG2  
420  H H    . THR A 29  ? 0.501 0.397 0.443 0.037  -0.020 0.002  31  THR HHH H    
421  H HA   . THR A 29  ? 0.485 0.415 0.423 0.041  -0.029 -0.006 31  THR HHH HA   
422  H HB   . THR A 29  ? 0.526 0.441 0.454 0.053  -0.032 -0.009 31  THR HHH HB   
424  H HG21 . THR A 29  ? 0.531 0.458 0.455 0.054  -0.029 -0.001 31  THR HHH HG21 
425  H HG22 . THR A 29  ? 0.550 0.462 0.465 0.063  -0.030 -0.002 31  THR HHH HG22 
426  H HG23 . THR A 29  ? 0.550 0.453 0.467 0.055  -0.024 0.004  31  THR HHH HG23 
427  N N    . ASP A 30  ? 0.498 0.408 0.458 0.031  -0.031 -0.015 32  ASP HHH N    
428  C CA   . ASP A 30  ? 0.494 0.403 0.464 0.030  -0.037 -0.025 32  ASP HHH CA   
429  C C    . ASP A 30  ? 0.477 0.399 0.446 0.029  -0.043 -0.028 32  ASP HHH C    
430  O O    . ASP A 30  ? 0.429 0.353 0.399 0.033  -0.050 -0.038 32  ASP HHH O    
431  C CB   . ASP A 30  ? 0.510 0.406 0.501 0.023  -0.033 -0.028 32  ASP HHH CB   
432  C CG   . ASP A 30  ? 0.544 0.422 0.538 0.025  -0.029 -0.028 32  ASP HHH CG   
433  O OD1  . ASP A 30  ? 0.545 0.421 0.526 0.033  -0.033 -0.029 32  ASP HHH OD1  
434  O OD2  . ASP A 30  ? 0.589 0.453 0.597 0.019  -0.021 -0.025 32  ASP HHH OD2  
435  H H    . ASP A 30  ? 0.498 0.402 0.460 0.028  -0.027 -0.011 32  ASP HHH H    
436  H HA   . ASP A 30  ? 0.502 0.409 0.468 0.035  -0.041 -0.029 32  ASP HHH HA   
437  H HB2  . ASP A 30  ? 0.509 0.404 0.501 0.019  -0.028 -0.021 32  ASP HHH HB2  
438  H HB3  . ASP A 30  ? 0.511 0.411 0.512 0.021  -0.039 -0.036 32  ASP HHH HB3  
439  N N    . TYR A 31  ? 0.436 0.366 0.402 0.026  -0.039 -0.021 33  TYR HHH N    
440  C CA   . TYR A 31  ? 0.419 0.359 0.385 0.025  -0.042 -0.023 33  TYR HHH CA   
441  C C    . TYR A 31  ? 0.413 0.363 0.367 0.026  -0.039 -0.016 33  TYR HHH C    
442  O O    . TYR A 31  ? 0.437 0.388 0.390 0.025  -0.034 -0.010 33  TYR HHH O    
443  C CB   . TYR A 31  ? 0.402 0.342 0.384 0.017  -0.041 -0.023 33  TYR HHH CB   
444  C CG   . TYR A 31  ? 0.426 0.358 0.428 0.014  -0.044 -0.033 33  TYR HHH CG   
445  C CD1  . TYR A 31  ? 0.454 0.374 0.466 0.011  -0.037 -0.031 33  TYR HHH CD1  
446  C CD2  . TYR A 31  ? 0.439 0.377 0.450 0.016  -0.054 -0.045 33  TYR HHH CD2  
447  C CE1  . TYR A 31  ? 0.503 0.415 0.539 0.007  -0.039 -0.041 33  TYR HHH CE1  
448  C CE2  . TYR A 31  ? 0.445 0.379 0.481 0.013  -0.058 -0.056 33  TYR HHH CE2  
449  C CZ   . TYR A 31  ? 0.479 0.400 0.530 0.008  -0.050 -0.055 33  TYR HHH CZ   
450  O OH   . TYR A 31  ? 0.527 0.443 0.607 0.004  -0.052 -0.067 33  TYR HHH OH   
451  H H    . TYR A 31  ? 0.437 0.367 0.400 0.025  -0.034 -0.015 33  TYR HHH H    
452  H HA   . TYR A 31  ? 0.425 0.366 0.389 0.029  -0.048 -0.030 33  TYR HHH HA   
453  H HB2  . TYR A 31  ? 0.405 0.343 0.388 0.014  -0.035 -0.017 33  TYR HHH HB2  
454  H HB3  . TYR A 31  ? 0.404 0.350 0.385 0.017  -0.044 -0.024 33  TYR HHH HB3  
455  H HD1  . TYR A 31  ? 0.459 0.374 0.462 0.011  -0.032 -0.024 33  TYR HHH HD1  
456  H HD2  . TYR A 31  ? 0.436 0.380 0.438 0.020  -0.058 -0.045 33  TYR HHH HD2  
457  H HE1  . TYR A 31  ? 0.492 0.394 0.536 0.004  -0.032 -0.039 33  TYR HHH HE1  
458  H HE2  . TYR A 31  ? 0.456 0.393 0.499 0.016  -0.067 -0.066 33  TYR HHH HE2  
460  N N    . PHE A 32  ? 0.394 0.350 0.341 0.030  -0.041 -0.017 34  PHE HHH N    
461  C CA   . PHE A 32  ? 0.388 0.351 0.329 0.029  -0.035 -0.011 34  PHE HHH CA   
462  C C    . PHE A 32  ? 0.371 0.336 0.321 0.022  -0.034 -0.007 34  PHE HHH C    
463  O O    . PHE A 32  ? 0.384 0.347 0.342 0.019  -0.038 -0.010 34  PHE HHH O    
464  C CB   . PHE A 32  ? 0.407 0.370 0.334 0.036  -0.036 -0.012 34  PHE HHH CB   
465  C CG   . PHE A 32  ? 0.427 0.389 0.340 0.045  -0.034 -0.013 34  PHE HHH CG   
466  C CD1  . PHE A 32  ? 0.435 0.401 0.345 0.046  -0.025 -0.008 34  PHE HHH CD1  
467  C CD2  . PHE A 32  ? 0.448 0.404 0.354 0.052  -0.042 -0.022 34  PHE HHH CD2  
468  C CE1  . PHE A 32  ? 0.453 0.418 0.352 0.054  -0.021 -0.010 34  PHE HHH CE1  
469  C CE2  . PHE A 32  ? 0.458 0.413 0.350 0.062  -0.040 -0.024 34  PHE HHH CE2  
470  C CZ   . PHE A 32  ? 0.470 0.428 0.357 0.062  -0.029 -0.017 34  PHE HHH CZ   
471  H H    . PHE A 32  ? 0.406 0.360 0.350 0.033  -0.046 -0.023 34  PHE HHH H    
472  H HA   . PHE A 32  ? 0.387 0.352 0.326 0.030  -0.032 -0.008 34  PHE HHH HA   
473  H HB2  . PHE A 32  ? 0.411 0.372 0.338 0.038  -0.042 -0.016 34  PHE HHH HB2  
474  H HB3  . PHE A 32  ? 0.402 0.369 0.329 0.035  -0.032 -0.007 34  PHE HHH HB3  
475  H HD1  . PHE A 32  ? 0.425 0.396 0.343 0.041  -0.020 -0.004 34  PHE HHH HD1  
476  H HD2  . PHE A 32  ? 0.447 0.401 0.359 0.051  -0.049 -0.027 34  PHE HHH HD2  
477  H HE1  . PHE A 32  ? 0.451 0.420 0.352 0.054  -0.013 -0.006 34  PHE HHH HE1  
478  H HE2  . PHE A 32  ? 0.473 0.423 0.359 0.067  -0.046 -0.030 34  PHE HHH HE2  
479  H HZ   . PHE A 32  ? 0.476 0.433 0.354 0.069  -0.026 -0.018 34  PHE HHH HZ   
480  N N    . ILE A 33  ? 0.376 0.347 0.328 0.019  -0.028 -0.002 35  ILE HHH N    
481  C CA   . ILE A 33  ? 0.368 0.342 0.327 0.014  -0.026 0.002  35  ILE HHH CA   
482  C C    . ILE A 33  ? 0.393 0.373 0.350 0.014  -0.023 0.005  35  ILE HHH C    
483  O O    . ILE A 33  ? 0.404 0.388 0.359 0.017  -0.018 0.005  35  ILE HHH O    
484  C CB   . ILE A 33  ? 0.385 0.359 0.346 0.013  -0.024 0.004  35  ILE HHH CB   
485  C CG1  . ILE A 33  ? 0.421 0.385 0.382 0.014  -0.024 0.003  35  ILE HHH CG1  
486  C CG2  . ILE A 33  ? 0.364 0.341 0.330 0.009  -0.022 0.007  35  ILE HHH CG2  
487  C CD1  . ILE A 33  ? 0.435 0.393 0.404 0.009  -0.024 0.003  35  ILE HHH CD1  
488  H H    . ILE A 33  ? 0.374 0.347 0.323 0.022  -0.026 -0.001 35  ILE HHH H    
489  H HA   . ILE A 33  ? 0.377 0.349 0.340 0.012  -0.028 0.000  35  ILE HHH HA   
490  H HB   . ILE A 33  ? 0.383 0.361 0.343 0.016  -0.023 0.004  35  ILE HHH HB   
491  H HG12 . ILE A 33  ? 0.421 0.383 0.380 0.017  -0.026 0.001  35  ILE HHH HG12 
492  H HG13 . ILE A 33  ? 0.419 0.381 0.377 0.016  -0.023 0.005  35  ILE HHH HG13 
493  H HG21 . ILE A 33  ? 0.364 0.348 0.332 0.009  -0.021 0.007  35  ILE HHH HG21 
494  H HG22 . ILE A 33  ? 0.370 0.345 0.335 0.010  -0.021 0.008  35  ILE HHH HG22 
495  H HG23 . ILE A 33  ? 0.367 0.343 0.336 0.006  -0.023 0.007  35  ILE HHH HG23 
496  H HD11 . ILE A 33  ? 0.427 0.386 0.398 0.007  -0.021 0.005  35  ILE HHH HD11 
497  H HD12 . ILE A 33  ? 0.438 0.388 0.409 0.009  -0.022 0.003  35  ILE HHH HD12 
498  H HD13 . ILE A 33  ? 0.430 0.390 0.403 0.008  -0.027 -0.001 35  ILE HHH HD13 
499  N N    . GLN A 34  ? 0.384 0.364 0.344 0.011  -0.024 0.006  36  GLN HHH N    
500  C CA   . GLN A 34  ? 0.372 0.354 0.329 0.012  -0.020 0.009  36  GLN HHH CA   
501  C C    . GLN A 34  ? 0.370 0.356 0.338 0.006  -0.018 0.011  36  GLN HHH C    
502  O O    . GLN A 34  ? 0.349 0.335 0.321 0.003  -0.021 0.009  36  GLN HHH O    
503  C CB   . GLN A 34  ? 0.397 0.373 0.343 0.017  -0.024 0.007  36  GLN HHH CB   
504  C CG   . GLN A 34  ? 0.415 0.387 0.351 0.025  -0.027 0.004  36  GLN HHH CG   
505  C CD   . GLN A 34  ? 0.440 0.405 0.357 0.034  -0.027 0.005  36  GLN HHH CD   
506  O OE1  . GLN A 34  ? 0.475 0.437 0.386 0.036  -0.020 0.010  36  GLN HHH OE1  
507  N NE2  . GLN A 34  ? 0.443 0.404 0.349 0.042  -0.034 -0.001 36  GLN HHH NE2  
508  H H    . GLN A 34  ? 0.381 0.359 0.345 0.009  -0.026 0.004  36  GLN HHH H    
509  H HA   . GLN A 34  ? 0.381 0.364 0.337 0.013  -0.015 0.010  36  GLN HHH HA   
510  H HB2  . GLN A 34  ? 0.393 0.369 0.344 0.016  -0.028 0.005  36  GLN HHH HB2  
511  H HB3  . GLN A 34  ? 0.400 0.374 0.341 0.019  -0.020 0.011  36  GLN HHH HB3  
512  H HG2  . GLN A 34  ? 0.414 0.388 0.350 0.024  -0.023 0.005  36  GLN HHH HG2  
513  H HG3  . GLN A 34  ? 0.415 0.385 0.354 0.024  -0.033 -0.001 36  GLN HHH HG3  
516  N N    . TRP A 35  ? 0.384 0.372 0.354 0.005  -0.013 0.013  37  TRP HHH N    
517  C CA   . TRP A 35  ? 0.346 0.338 0.326 0.001  -0.011 0.014  37  TRP HHH CA   
518  C C    . TRP A 35  ? 0.344 0.331 0.322 0.002  -0.008 0.017  37  TRP HHH C    
519  O O    . TRP A 35  ? 0.372 0.354 0.343 0.005  -0.002 0.020  37  TRP HHH O    
520  C CB   . TRP A 35  ? 0.356 0.355 0.347 -0.001 -0.008 0.011  37  TRP HHH CB   
521  C CG   . TRP A 35  ? 0.347 0.350 0.338 0.001  -0.013 0.008  37  TRP HHH CG   
522  C CD1  . TRP A 35  ? 0.364 0.367 0.351 0.004  -0.013 0.007  37  TRP HHH CD1  
523  C CD2  . TRP A 35  ? 0.357 0.361 0.349 0.001  -0.016 0.007  37  TRP HHH CD2  
524  N NE1  . TRP A 35  ? 0.388 0.391 0.373 0.007  -0.017 0.005  37  TRP HHH NE1  
525  C CE2  . TRP A 35  ? 0.356 0.359 0.342 0.005  -0.019 0.005  37  TRP HHH CE2  
526  C CE3  . TRP A 35  ? 0.380 0.385 0.375 -0.001 -0.017 0.006  37  TRP HHH CE3  
527  C CZ2  . TRP A 35  ? 0.382 0.383 0.363 0.009  -0.021 0.004  37  TRP HHH CZ2  
528  C CZ3  . TRP A 35  ? 0.396 0.400 0.386 0.002  -0.020 0.005  37  TRP HHH CZ3  
529  C CH2  . TRP A 35  ? 0.407 0.408 0.388 0.008  -0.021 0.005  37  TRP HHH CH2  
530  H H    . TRP A 35  ? 0.379 0.365 0.345 0.008  -0.009 0.015  37  TRP HHH H    
531  H HA   . TRP A 35  ? 0.349 0.341 0.331 -0.001 -0.015 0.012  37  TRP HHH HA   
532  H HB2  . TRP A 35  ? 0.355 0.355 0.347 0.000  -0.003 0.012  37  TRP HHH HB2  
533  H HB3  . TRP A 35  ? 0.347 0.349 0.346 -0.003 -0.007 0.011  37  TRP HHH HB3  
534  H HD1  . TRP A 35  ? 0.372 0.374 0.356 0.006  -0.010 0.008  37  TRP HHH HD1  
535  H HE1  . TRP A 35  ? 0.379 0.381 0.361 0.010  -0.018 0.004  37  TRP HHH HE1  
536  H HE3  . TRP A 35  ? 0.374 0.379 0.372 -0.003 -0.016 0.007  37  TRP HHH HE3  
537  H HZ2  . TRP A 35  ? 0.388 0.385 0.362 0.013  -0.022 0.004  37  TRP HHH HZ2  
538  H HZ3  . TRP A 35  ? 0.390 0.394 0.380 0.002  -0.020 0.005  37  TRP HHH HZ3  
539  H HH2  . TRP A 35  ? 0.402 0.400 0.377 0.011  -0.022 0.005  37  TRP HHH HH2  
540  N N    . VAL A 36  ? 0.348 0.335 0.328 -0.000 -0.012 0.016  38  VAL HHH N    
541  C CA   . VAL A 36  ? 0.380 0.361 0.356 0.002  -0.011 0.019  38  VAL HHH CA   
542  C C    . VAL A 36  ? 0.391 0.376 0.380 -0.003 -0.011 0.018  38  VAL HHH C    
543  O O    . VAL A 36  ? 0.390 0.381 0.384 -0.006 -0.015 0.015  38  VAL HHH O    
544  C CB   . VAL A 36  ? 0.396 0.373 0.363 0.007  -0.019 0.017  38  VAL HHH CB   
545  C CG1  . VAL A 36  ? 0.417 0.388 0.378 0.011  -0.019 0.019  38  VAL HHH CG1  
546  C CG2  . VAL A 36  ? 0.400 0.373 0.353 0.014  -0.020 0.017  38  VAL HHH CG2  
547  H H    . VAL A 36  ? 0.346 0.336 0.330 -0.002 -0.015 0.014  38  VAL HHH H    
548  H HA   . VAL A 36  ? 0.388 0.365 0.361 0.003  -0.005 0.022  38  VAL HHH HA   
549  H HB   . VAL A 36  ? 0.388 0.369 0.362 0.004  -0.023 0.014  38  VAL HHH HB   
550  H HG11 . VAL A 36  ? 0.406 0.380 0.376 0.008  -0.021 0.018  38  VAL HHH HG11 
551  H HG12 . VAL A 36  ? 0.422 0.389 0.375 0.017  -0.025 0.018  38  VAL HHH HG12 
552  H HG13 . VAL A 36  ? 0.420 0.386 0.377 0.013  -0.013 0.024  38  VAL HHH HG13 
553  H HG21 . VAL A 36  ? 0.411 0.379 0.357 0.016  -0.014 0.021  38  VAL HHH HG21 
554  H HG22 . VAL A 36  ? 0.410 0.379 0.356 0.019  -0.026 0.014  38  VAL HHH HG22 
555  H HG23 . VAL A 36  ? 0.397 0.373 0.354 0.011  -0.021 0.015  38  VAL HHH HG23 
556  N N    . ARG A 37  ? 0.411 0.394 0.405 -0.004 -0.006 0.020  39  ARG HHH N    
557  C CA   . ARG A 37  ? 0.394 0.381 0.400 -0.008 -0.007 0.018  39  ARG HHH CA   
558  C C    . ARG A 37  ? 0.406 0.384 0.407 -0.005 -0.007 0.021  39  ARG HHH C    
559  O O    . ARG A 37  ? 0.411 0.379 0.399 0.001  -0.005 0.026  39  ARG HHH O    
560  C CB   . ARG A 37  ? 0.395 0.385 0.415 -0.012 -0.001 0.016  39  ARG HHH CB   
561  C CG   . ARG A 37  ? 0.418 0.400 0.442 -0.012 0.009  0.020  39  ARG HHH CG   
562  C CD   . ARG A 37  ? 0.443 0.432 0.491 -0.017 0.014  0.014  39  ARG HHH CD   
563  N NE   . ARG A 37  ? 0.446 0.425 0.502 -0.019 0.027  0.018  39  ARG HHH NE   
564  C CZ   . ARG A 37  ? 0.469 0.453 0.552 -0.024 0.034  0.013  39  ARG HHH CZ   
565  N NH1  . ARG A 37  ? 0.452 0.451 0.555 -0.027 0.025  0.001  39  ARG HHH NH1  
566  N NH2  . ARG A 37  ? 0.520 0.492 0.611 -0.025 0.049  0.018  39  ARG HHH NH2  
567  H H    . ARG A 37  ? 0.414 0.391 0.403 -0.002 -0.001 0.024  39  ARG HHH H    
568  H HA   . ARG A 37  ? 0.391 0.382 0.398 -0.009 -0.011 0.015  39  ARG HHH HA   
569  H HB2  . ARG A 37  ? 0.392 0.386 0.420 -0.014 -0.003 0.012  39  ARG HHH HB2  
570  H HB3  . ARG A 37  ? 0.393 0.389 0.416 -0.012 -0.002 0.013  39  ARG HHH HB3  
571  H HG2  . ARG A 37  ? 0.428 0.407 0.445 -0.010 0.013  0.023  39  ARG HHH HG2  
572  H HG3  . ARG A 37  ? 0.429 0.403 0.447 -0.010 0.010  0.024  39  ARG HHH HG3  
573  H HD2  . ARG A 37  ? 0.430 0.420 0.483 -0.018 0.010  0.011  39  ARG HHH HD2  
574  H HD3  . ARG A 37  ? 0.427 0.424 0.480 -0.018 0.011  0.010  39  ARG HHH HD3  
575  H HE   . ARG A 37  ? 0.466 0.436 0.510 -0.015 0.032  0.025  39  ARG HHH HE   
576  H HH11 . ARG A 37  ? 0.447 0.451 0.542 -0.025 0.017  -0.002 39  ARG HHH HH11 
577  H HH12 . ARG A 37  ? 0.454 0.457 0.577 -0.030 0.029  -0.004 39  ARG HHH HH12 
578  H HH21 . ARG A 37  ? 0.518 0.480 0.593 -0.022 0.055  0.027  39  ARG HHH HH21 
579  H HH22 . ARG A 37  ? 0.507 0.483 0.620 -0.029 0.055  0.014  39  ARG HHH HH22 
580  N N    . GLN A 38  ? 0.395 0.378 0.404 -0.007 -0.011 0.017  40  GLN HHH N    
581  C CA   . GLN A 38  ? 0.396 0.373 0.403 -0.004 -0.013 0.019  40  GLN HHH CA   
582  C C    . GLN A 38  ? 0.385 0.365 0.405 -0.007 -0.012 0.015  40  GLN HHH C    
583  O O    . GLN A 38  ? 0.396 0.385 0.423 -0.010 -0.015 0.011  40  GLN HHH O    
584  C CB   . GLN A 38  ? 0.396 0.375 0.397 -0.000 -0.021 0.016  40  GLN HHH CB   
585  C CG   . GLN A 38  ? 0.445 0.418 0.442 0.006  -0.025 0.016  40  GLN HHH CG   
586  C CD   . GLN A 38  ? 0.466 0.443 0.463 0.011  -0.034 0.010  40  GLN HHH CD   
587  O OE1  . GLN A 38  ? 0.468 0.453 0.472 0.007  -0.037 0.006  40  GLN HHH OE1  
588  N NE2  . GLN A 38  ? 0.472 0.443 0.462 0.020  -0.040 0.009  40  GLN HHH NE2  
589  H H    . GLN A 38  ? 0.387 0.376 0.403 -0.010 -0.012 0.014  40  GLN HHH H    
590  H HA   . GLN A 38  ? 0.408 0.376 0.407 -0.000 -0.009 0.023  40  GLN HHH HA   
591  H HB2  . GLN A 38  ? 0.409 0.386 0.403 0.002  -0.022 0.016  40  GLN HHH HB2  
592  H HB3  . GLN A 38  ? 0.396 0.382 0.405 -0.003 -0.023 0.012  40  GLN HHH HB3  
593  H HG2  . GLN A 38  ? 0.435 0.410 0.441 0.003  -0.024 0.014  40  GLN HHH HG2  
594  H HG3  . GLN A 38  ? 0.451 0.415 0.439 0.010  -0.022 0.020  40  GLN HHH HG3  
597  N N    . ALA A 39  ? 0.418 0.389 0.441 -0.007 -0.006 0.018  41  ALA HHH N    
598  C CA   . ALA A 39  ? 0.455 0.426 0.491 -0.010 -0.005 0.015  41  ALA HHH CA   
599  C C    . ALA A 39  ? 0.467 0.437 0.499 -0.006 -0.011 0.014  41  ALA HHH C    
600  O O    . ALA A 39  ? 0.455 0.418 0.474 0.001  -0.014 0.018  41  ALA HHH O    
601  C CB   . ALA A 39  ? 0.491 0.450 0.534 -0.011 0.005  0.019  41  ALA HHH CB   
602  H H    . ALA A 39  ? 0.431 0.394 0.448 -0.005 -0.001 0.023  41  ALA HHH H    
603  H HA   . ALA A 39  ? 0.444 0.424 0.489 -0.013 -0.007 0.010  41  ALA HHH HA   
604  H HB1  . ALA A 39  ? 0.483 0.442 0.536 -0.013 0.005  0.015  41  ALA HHH HB1  
605  H HB2  . ALA A 39  ? 0.482 0.444 0.531 -0.014 0.009  0.018  41  ALA HHH HB2  
606  H HB3  . ALA A 39  ? 0.496 0.445 0.527 -0.006 0.008  0.025  41  ALA HHH HB3  
607  N N    . PRO A 40  ? 0.489 0.465 0.532 -0.007 -0.014 0.008  42  PRO HHH N    
608  C CA   . PRO A 40  ? 0.500 0.477 0.542 -0.004 -0.019 0.006  42  PRO HHH CA   
609  C C    . PRO A 40  ? 0.513 0.477 0.549 0.002  -0.018 0.010  42  PRO HHH C    
610  O O    . PRO A 40  ? 0.519 0.472 0.557 0.001  -0.012 0.014  42  PRO HHH O    
611  C CB   . PRO A 40  ? 0.524 0.509 0.579 -0.006 -0.020 -0.001 42  PRO HHH CB   
612  C CG   . PRO A 40  ? 0.523 0.514 0.583 -0.010 -0.018 -0.004 42  PRO HHH CG   
613  C CD   . PRO A 40  ? 0.522 0.505 0.579 -0.012 -0.013 0.002  42  PRO HHH CD   
614  H HA   . PRO A 40  ? 0.499 0.482 0.538 -0.003 -0.022 0.005  42  PRO HHH HA   
615  H HB2  . PRO A 40  ? 0.523 0.502 0.583 -0.006 -0.019 -0.001 42  PRO HHH HB2  
616  H HB3  . PRO A 40  ? 0.513 0.504 0.569 -0.005 -0.022 -0.004 42  PRO HHH HB3  
617  H HG2  . PRO A 40  ? 0.520 0.513 0.588 -0.011 -0.018 -0.009 42  PRO HHH HG2  
618  H HG3  . PRO A 40  ? 0.515 0.512 0.571 -0.010 -0.019 -0.005 42  PRO HHH HG3  
619  H HD2  . PRO A 40  ? 0.520 0.497 0.584 -0.013 -0.009 0.002  42  PRO HHH HD2  
620  H HD3  . PRO A 40  ? 0.509 0.497 0.566 -0.014 -0.013 0.000  42  PRO HHH HD3  
621  N N    . GLY A 41  ? 0.508 0.470 0.535 0.009  -0.025 0.011  43  GLY HHH N    
622  C CA   . GLY A 41  ? 0.516 0.464 0.530 0.019  -0.026 0.015  43  GLY HHH CA   
623  C C    . GLY A 41  ? 0.541 0.474 0.536 0.024  -0.021 0.023  43  GLY HHH C    
624  O O    . GLY A 41  ? 0.547 0.463 0.526 0.034  -0.020 0.029  43  GLY HHH O    
625  H H    . GLY A 41  ? 0.501 0.471 0.529 0.009  -0.029 0.007  43  GLY HHH H    
626  H HA2  . GLY A 41  ? 0.521 0.473 0.534 0.023  -0.033 0.011  43  GLY HHH HA2  
627  H HA3  . GLY A 41  ? 0.525 0.467 0.544 0.019  -0.023 0.016  43  GLY HHH HA3  
628  N N    . GLN A 42  ? 0.519 0.457 0.513 0.019  -0.017 0.025  44  GLN HHH N    
629  C CA   . GLN A 42  ? 0.538 0.461 0.512 0.025  -0.010 0.033  44  GLN HHH CA   
630  C C    . GLN A 42  ? 0.505 0.436 0.470 0.029  -0.018 0.030  44  GLN HHH C    
631  O O    . GLN A 42  ? 0.466 0.412 0.443 0.024  -0.027 0.022  44  GLN HHH O    
632  C CB   . GLN A 42  ? 0.587 0.506 0.571 0.017  0.003  0.038  44  GLN HHH CB   
633  C CG   . GLN A 42  ? 0.673 0.585 0.673 0.012  0.011  0.038  44  GLN HHH CG   
634  C CD   . GLN A 42  ? 0.824 0.731 0.839 0.005  0.025  0.041  44  GLN HHH CD   
635  O OE1  . GLN A 42  ? 0.835 0.730 0.839 0.008  0.036  0.049  44  GLN HHH OE1  
636  N NE2  . GLN A 42  ? 0.806 0.723 0.847 -0.004 0.025  0.033  44  GLN HHH NE2  
637  H H    . GLN A 42  ? 0.508 0.456 0.511 0.013  -0.018 0.021  44  GLN HHH H    
638  H HA   . GLN A 42  ? 0.559 0.469 0.522 0.033  -0.010 0.037  44  GLN HHH HA   
639  H HB2  . GLN A 42  ? 0.577 0.508 0.571 0.010  0.002  0.033  44  GLN HHH HB2  
640  H HB3  . GLN A 42  ? 0.607 0.516 0.579 0.021  0.010  0.044  44  GLN HHH HB3  
641  H HG2  . GLN A 42  ? 0.700 0.599 0.689 0.019  0.012  0.042  44  GLN HHH HG2  
642  H HG3  . GLN A 42  ? 0.669 0.592 0.681 0.008  0.005  0.032  44  GLN HHH HG3  
645  N N    . GLY A 43  ? 0.507 0.426 0.451 0.037  -0.014 0.036  45  GLY HHH N    
646  C CA   . GLY A 43  ? 0.514 0.437 0.448 0.041  -0.021 0.033  45  GLY HHH CA   
647  C C    . GLY A 43  ? 0.484 0.417 0.428 0.031  -0.016 0.033  45  GLY HHH C    
648  O O    . GLY A 43  ? 0.523 0.457 0.480 0.022  -0.006 0.035  45  GLY HHH O    
649  H H    . GLY A 43  ? 0.529 0.434 0.464 0.040  -0.006 0.043  45  GLY HHH H    
650  H HA2  . GLY A 43  ? 0.502 0.435 0.441 0.042  -0.031 0.026  45  GLY HHH HA2  
651  H HA3  . GLY A 43  ? 0.531 0.442 0.444 0.051  -0.020 0.037  45  GLY HHH HA3  
652  N N    . PRO A 44  ? 0.469 0.409 0.410 0.032  -0.023 0.028  46  PRO HHH N    
653  C CA   . PRO A 44  ? 0.457 0.404 0.404 0.025  -0.018 0.028  46  PRO HHH CA   
654  C C    . PRO A 44  ? 0.475 0.410 0.409 0.028  -0.005 0.036  46  PRO HHH C    
655  O O    . PRO A 44  ? 0.462 0.382 0.374 0.039  -0.002 0.042  46  PRO HHH O    
656  C CB   . PRO A 44  ? 0.470 0.424 0.414 0.029  -0.029 0.020  46  PRO HHH CB   
657  C CG   . PRO A 44  ? 0.488 0.436 0.420 0.041  -0.040 0.017  46  PRO HHH CG   
658  C CD   . PRO A 44  ? 0.490 0.431 0.421 0.043  -0.036 0.021  46  PRO HHH CD   
659  H HA   . PRO A 44  ? 0.445 0.400 0.407 0.017  -0.017 0.026  46  PRO HHH HA   
660  H HB2  . PRO A 44  ? 0.471 0.423 0.407 0.030  -0.027 0.022  46  PRO HHH HB2  
661  H HB3  . PRO A 44  ? 0.451 0.415 0.410 0.022  -0.032 0.016  46  PRO HHH HB3  
662  H HG2  . PRO A 44  ? 0.504 0.444 0.417 0.050  -0.040 0.019  46  PRO HHH HG2  
663  H HG3  . PRO A 44  ? 0.479 0.436 0.421 0.040  -0.048 0.009  46  PRO HHH HG3  
664  H HD2  . PRO A 44  ? 0.508 0.438 0.422 0.053  -0.037 0.024  46  PRO HHH HD2  
665  H HD3  . PRO A 44  ? 0.478 0.428 0.423 0.040  -0.042 0.015  46  PRO HHH HD3  
666  N N    . GLU A 45  ? 0.467 0.410 0.415 0.019  0.001  0.036  47  GLU HHH N    
667  C CA   . GLU A 45  ? 0.482 0.419 0.427 0.019  0.016  0.042  47  GLU HHH CA   
668  C C    . GLU A 45  ? 0.449 0.396 0.398 0.015  0.014  0.038  47  GLU HHH C    
669  O O    . GLU A 45  ? 0.396 0.357 0.364 0.007  0.009  0.032  47  GLU HHH O    
670  C CB   . GLU A 45  ? 0.505 0.441 0.470 0.011  0.027  0.044  47  GLU HHH CB   
671  C CG   . GLU A 45  ? 0.548 0.476 0.517 0.010  0.044  0.050  47  GLU HHH CG   
672  C CD   . GLU A 45  ? 0.560 0.490 0.558 0.000  0.054  0.048  47  GLU HHH CD   
673  O OE1  . GLU A 45  ? 0.669 0.585 0.665 0.002  0.061  0.053  47  GLU HHH OE1  
674  O OE2  . GLU A 45  ? 0.528 0.473 0.550 -0.008 0.053  0.040  47  GLU HHH OE2  
675  H H    . GLU A 45  ? 0.451 0.404 0.412 0.013  -0.002 0.032  47  GLU HHH H    
676  H HA   . GLU A 45  ? 0.501 0.426 0.428 0.027  0.019  0.047  47  GLU HHH HA   
677  H HB2  . GLU A 45  ? 0.514 0.441 0.475 0.013  0.027  0.047  47  GLU HHH HB2  
678  H HB3  . GLU A 45  ? 0.488 0.435 0.469 0.004  0.022  0.039  47  GLU HHH HB3  
679  H HG2  . GLU A 45  ? 0.538 0.474 0.509 0.008  0.043  0.047  47  GLU HHH HG2  
680  H HG3  . GLU A 45  ? 0.565 0.480 0.516 0.017  0.050  0.057  47  GLU HHH HG3  
681  N N    . TRP A 46  ? 0.456 0.397 0.388 0.023  0.017  0.041  48  TRP HHH N    
682  C CA   . TRP A 46  ? 0.468 0.416 0.402 0.021  0.016  0.037  48  TRP HHH CA   
683  C C    . TRP A 46  ? 0.452 0.407 0.406 0.014  0.027  0.038  48  TRP HHH C    
684  O O    . TRP A 46  ? 0.438 0.384 0.394 0.014  0.041  0.044  48  TRP HHH O    
685  C CB   . TRP A 46  ? 0.492 0.431 0.400 0.033  0.016  0.040  48  TRP HHH CB   
686  C CG   . TRP A 46  ? 0.508 0.454 0.418 0.032  0.015  0.036  48  TRP HHH CG   
687  C CD1  . TRP A 46  ? 0.501 0.454 0.412 0.032  0.002  0.028  48  TRP HHH CD1  
688  C CD2  . TRP A 46  ? 0.499 0.446 0.413 0.031  0.027  0.038  48  TRP HHH CD2  
689  N NE1  . TRP A 46  ? 0.498 0.455 0.410 0.032  0.004  0.026  48  TRP HHH NE1  
690  C CE2  . TRP A 46  ? 0.495 0.449 0.409 0.032  0.019  0.032  48  TRP HHH CE2  
691  C CE3  . TRP A 46  ? 0.498 0.440 0.417 0.030  0.045  0.045  48  TRP HHH CE3  
692  C CZ2  . TRP A 46  ? 0.482 0.440 0.399 0.032  0.027  0.032  48  TRP HHH CZ2  
693  C CZ3  . TRP A 46  ? 0.495 0.442 0.422 0.030  0.054  0.044  48  TRP HHH CZ3  
694  C CH2  . TRP A 46  ? 0.476 0.431 0.401 0.031  0.045  0.037  48  TRP HHH CH2  
695  H H    . TRP A 46  ? 0.481 0.410 0.396 0.031  0.019  0.045  48  TRP HHH H    
696  H HA   . TRP A 46  ? 0.449 0.406 0.390 0.018  0.006  0.032  48  TRP HHH HA   
697  H HB2  . TRP A 46  ? 0.502 0.438 0.399 0.039  0.007  0.037  48  TRP HHH HB2  
698  H HB3  . TRP A 46  ? 0.513 0.442 0.412 0.037  0.027  0.046  48  TRP HHH HB3  
699  H HD1  . TRP A 46  ? 0.493 0.447 0.405 0.032  -0.007 0.024  48  TRP HHH HD1  
700  H HE1  . TRP A 46  ? 0.489 0.449 0.402 0.032  -0.002 0.022  48  TRP HHH HE1  
701  H HE3  . TRP A 46  ? 0.508 0.443 0.428 0.030  0.052  0.049  48  TRP HHH HE3  
702  H HZ2  . TRP A 46  ? 0.478 0.441 0.396 0.033  0.022  0.027  48  TRP HHH HZ2  
703  H HZ3  . TRP A 46  ? 0.503 0.447 0.437 0.028  0.068  0.047  48  TRP HHH HZ3  
704  H HH2  . TRP A 46  ? 0.486 0.445 0.416 0.031  0.051  0.036  48  TRP HHH HH2  
705  N N    . MET A 47  ? 0.430 0.399 0.400 0.008  0.022  0.031  49  MET HHH N    
706  C CA   . MET A 47  ? 0.415 0.393 0.407 0.002  0.029  0.028  49  MET HHH CA   
707  C C    . MET A 47  ? 0.394 0.376 0.383 0.005  0.031  0.026  49  MET HHH C    
708  O O    . MET A 47  ? 0.384 0.369 0.388 0.003  0.042  0.026  49  MET HHH O    
709  C CB   . MET A 47  ? 0.399 0.390 0.409 -0.004 0.020  0.020  49  MET HHH CB   
710  C CG   . MET A 47  ? 0.402 0.391 0.418 -0.008 0.018  0.021  49  MET HHH CG   
711  S SD   . MET A 47  ? 0.429 0.430 0.458 -0.011 0.007  0.012  49  MET HHH SD   
712  C CE   . MET A 47  ? 0.416 0.428 0.470 -0.014 0.011  0.004  49  MET HHH CE   
713  H H    . MET A 47  ? 0.422 0.395 0.389 0.008  0.014  0.028  49  MET HHH H    
714  H HA   . MET A 47  ? 0.420 0.393 0.418 0.000  0.039  0.031  49  MET HHH HA   
715  H HB2  . MET A 47  ? 0.395 0.387 0.397 -0.003 0.012  0.019  49  MET HHH HB2  
716  H HB3  . MET A 47  ? 0.396 0.393 0.419 -0.007 0.022  0.016  49  MET HHH HB3  
717  H HG2  . MET A 47  ? 0.416 0.402 0.443 -0.010 0.027  0.022  49  MET HHH HG2  
718  H HG3  . MET A 47  ? 0.416 0.398 0.419 -0.005 0.016  0.024  49  MET HHH HG3  
719  H HE1  . MET A 47  ? 0.413 0.432 0.476 -0.014 0.006  -0.002 49  MET HHH HE1  
720  H HE2  . MET A 47  ? 0.419 0.434 0.470 -0.012 0.011  0.003  49  MET HHH HE2  
721  H HE3  . MET A 47  ? 0.425 0.434 0.488 -0.016 0.020  0.006  49  MET HHH HE3  
722  N N    . ALA A 48  ? 0.381 0.365 0.358 0.008  0.021  0.024  50  ALA HHH N    
723  C CA   . ALA A 48  ? 0.372 0.361 0.350 0.010  0.021  0.020  50  ALA HHH CA   
724  C C    . ALA A 48  ? 0.384 0.370 0.346 0.015  0.010  0.018  50  ALA HHH C    
725  O O    . ALA A 48  ? 0.380 0.364 0.337 0.014  0.001  0.017  50  ALA HHH O    
726  C CB   . ALA A 48  ? 0.384 0.387 0.385 0.005  0.018  0.013  50  ALA HHH CB   
727  H H    . ALA A 48  ? 0.381 0.362 0.348 0.010  0.014  0.023  50  ALA HHH H    
728  H HA   . ALA A 48  ? 0.391 0.377 0.366 0.013  0.030  0.023  50  ALA HHH HA   
729  H HB1  . ALA A 48  ? 0.376 0.382 0.376 0.007  0.017  0.011  50  ALA HHH HB1  
730  H HB2  . ALA A 48  ? 0.376 0.381 0.390 0.002  0.025  0.013  50  ALA HHH HB2  
731  H HB3  . ALA A 48  ? 0.368 0.373 0.369 0.004  0.010  0.011  50  ALA HHH HB3  
732  N N    . TRP A 49  ? 0.400 0.387 0.357 0.019  0.011  0.016  51  TRP HHH N    
733  C CA   . TRP A 49  ? 0.389 0.375 0.338 0.022  0.001  0.012  51  TRP HHH CA   
734  C C    . TRP A 49  ? 0.386 0.380 0.345 0.022  0.002  0.008  51  TRP HHH C    
735  O O    . TRP A 49  ? 0.414 0.414 0.384 0.022  0.010  0.008  51  TRP HHH O    
736  C CB   . TRP A 49  ? 0.426 0.402 0.353 0.031  -0.001 0.012  51  TRP HHH CB   
737  C CG   . TRP A 49  ? 0.437 0.409 0.352 0.039  0.008  0.014  51  TRP HHH CG   
738  C CD1  . TRP A 49  ? 0.468 0.430 0.364 0.046  0.015  0.020  51  TRP HHH CD1  
739  C CD2  . TRP A 49  ? 0.445 0.419 0.359 0.042  0.011  0.012  51  TRP HHH CD2  
740  N NE1  . TRP A 49  ? 0.490 0.447 0.372 0.054  0.023  0.021  51  TRP HHH NE1  
741  C CE2  . TRP A 49  ? 0.496 0.462 0.391 0.052  0.021  0.016  51  TRP HHH CE2  
742  C CE3  . TRP A 49  ? 0.459 0.440 0.384 0.040  0.007  0.007  51  TRP HHH CE3  
743  C CZ2  . TRP A 49  ? 0.514 0.481 0.405 0.058  0.028  0.014  51  TRP HHH CZ2  
744  C CZ3  . TRP A 49  ? 0.467 0.450 0.388 0.047  0.011  0.004  51  TRP HHH CZ3  
745  C CH2  . TRP A 49  ? 0.490 0.467 0.396 0.054  0.022  0.008  51  TRP HHH CH2  
746  H H    . TRP A 49  ? 0.401 0.389 0.360 0.020  0.019  0.017  51  TRP HHH H    
747  H HA   . TRP A 49  ? 0.388 0.374 0.340 0.019  -0.005 0.011  51  TRP HHH HA   
748  H HB2  . TRP A 49  ? 0.418 0.393 0.344 0.031  -0.009 0.008  51  TRP HHH HB2  
749  H HB3  . TRP A 49  ? 0.422 0.394 0.345 0.031  -0.003 0.014  51  TRP HHH HB3  
750  H HD1  . TRP A 49  ? 0.472 0.428 0.363 0.047  0.014  0.022  51  TRP HHH HD1  
751  H HE1  . TRP A 49  ? 0.510 0.460 0.379 0.061  0.030  0.025  51  TRP HHH HE1  
752  H HE3  . TRP A 49  ? 0.442 0.426 0.375 0.036  0.001  0.005  51  TRP HHH HE3  
753  H HZ2  . TRP A 49  ? 0.525 0.486 0.402 0.065  0.036  0.017  51  TRP HHH HZ2  
754  H HZ3  . TRP A 49  ? 0.461 0.449 0.390 0.046  0.008  0.001  51  TRP HHH HZ3  
755  H HH2  . TRP A 49  ? 0.497 0.475 0.400 0.059  0.026  0.006  51  TRP HHH HH2  
756  N N    . ILE A 50  ? 0.375 0.368 0.332 0.023  -0.007 0.005  52  ILE HHH N    
757  C CA   . ILE A 50  ? 0.385 0.381 0.345 0.026  -0.009 0.001  52  ILE HHH CA   
758  C C    . ILE A 50  ? 0.385 0.372 0.332 0.030  -0.015 -0.001 52  ILE HHH C    
759  O O    . ILE A 50  ? 0.387 0.367 0.332 0.028  -0.020 -0.001 52  ILE HHH O    
760  C CB   . ILE A 50  ? 0.385 0.388 0.356 0.024  -0.012 -0.002 52  ILE HHH CB   
761  C CG1  . ILE A 50  ? 0.388 0.394 0.361 0.030  -0.015 -0.006 52  ILE HHH CG1  
762  C CG2  . ILE A 50  ? 0.387 0.383 0.354 0.021  -0.017 0.001  52  ILE HHH CG2  
763  C CD1  . ILE A 50  ? 0.401 0.414 0.383 0.032  -0.019 -0.010 52  ILE HHH CD1  
764  H H    . ILE A 50  ? 0.377 0.366 0.332 0.021  -0.012 0.005  52  ILE HHH H    
765  H HA   . ILE A 50  ? 0.386 0.386 0.349 0.028  -0.003 0.000  52  ILE HHH HA   
766  H HB   . ILE A 50  ? 0.380 0.389 0.361 0.022  -0.009 -0.002 52  ILE HHH HB   
767  H HG12 . ILE A 50  ? 0.397 0.395 0.361 0.032  -0.018 -0.006 52  ILE HHH HG12 
768  H HG13 . ILE A 50  ? 0.395 0.405 0.371 0.032  -0.010 -0.008 52  ILE HHH HG13 
769  H HG21 . ILE A 50  ? 0.383 0.378 0.351 0.018  -0.016 0.003  52  ILE HHH HG21 
770  H HG22 . ILE A 50  ? 0.383 0.383 0.355 0.022  -0.019 -0.001 52  ILE HHH HG22 
771  H HG23 . ILE A 50  ? 0.390 0.379 0.351 0.023  -0.020 0.001  52  ILE HHH HG23 
772  H HD11 . ILE A 50  ? 0.391 0.411 0.384 0.029  -0.017 -0.011 52  ILE HHH HD11 
773  H HD12 . ILE A 50  ? 0.399 0.416 0.384 0.037  -0.021 -0.014 52  ILE HHH HD12 
774  H HD13 . ILE A 50  ? 0.397 0.404 0.373 0.032  -0.023 -0.008 52  ILE HHH HD13 
775  N N    . ASN A 51  ? 0.382 0.369 0.326 0.036  -0.013 -0.004 53  ASN HHH N    
776  C CA   . ASN A 51  ? 0.399 0.379 0.337 0.040  -0.019 -0.008 53  ASN HHH CA   
777  C C    . ASN A 51  ? 0.400 0.382 0.344 0.041  -0.022 -0.009 53  ASN HHH C    
778  O O    . ASN A 51  ? 0.399 0.387 0.348 0.045  -0.020 -0.011 53  ASN HHH O    
779  C CB   . ASN A 51  ? 0.411 0.391 0.339 0.048  -0.016 -0.010 53  ASN HHH CB   
780  C CG   . ASN A 51  ? 0.419 0.391 0.341 0.053  -0.023 -0.016 53  ASN HHH CG   
781  O OD1  . ASN A 51  ? 0.415 0.381 0.341 0.051  -0.028 -0.017 53  ASN HHH OD1  
782  N ND2  . ASN A 51  ? 0.381 0.350 0.291 0.061  -0.022 -0.019 53  ASN HHH ND2  
783  H H    . ASN A 51  ? 0.388 0.380 0.335 0.037  -0.008 -0.004 53  ASN HHH H    
784  H HA   . ASN A 51  ? 0.400 0.374 0.334 0.039  -0.023 -0.008 53  ASN HHH HA   
785  H HB2  . ASN A 51  ? 0.416 0.393 0.337 0.049  -0.014 -0.009 53  ASN HHH HB2  
786  H HB3  . ASN A 51  ? 0.410 0.396 0.343 0.049  -0.011 -0.010 53  ASN HHH HB3  
789  N N    . PRO A 52  ? 0.413 0.387 0.357 0.038  -0.026 -0.007 54  PRO HHH N    
790  C CA   . PRO A 52  ? 0.449 0.420 0.393 0.042  -0.028 -0.007 54  PRO HHH CA   
791  C C    . PRO A 52  ? 0.478 0.441 0.416 0.049  -0.030 -0.010 54  PRO HHH C    
792  O O    . PRO A 52  ? 0.496 0.458 0.432 0.055  -0.032 -0.010 54  PRO HHH O    
793  C CB   . PRO A 52  ? 0.431 0.391 0.373 0.038  -0.028 -0.002 54  PRO HHH CB   
794  C CG   . PRO A 52  ? 0.425 0.388 0.371 0.031  -0.027 -0.002 54  PRO HHH CG   
795  C CD   . PRO A 52  ? 0.409 0.375 0.353 0.033  -0.028 -0.006 54  PRO HHH CD   
796  H HA   . PRO A 52  ? 0.437 0.417 0.385 0.043  -0.027 -0.008 54  PRO HHH HA   
797  H HB2  . PRO A 52  ? 0.444 0.394 0.383 0.039  -0.028 -0.002 54  PRO HHH HB2  
798  H HB3  . PRO A 52  ? 0.435 0.397 0.376 0.039  -0.027 -0.001 54  PRO HHH HB3  
799  H HG2  . PRO A 52  ? 0.422 0.378 0.370 0.028  -0.027 -0.001 54  PRO HHH HG2  
800  H HG3  . PRO A 52  ? 0.413 0.383 0.362 0.028  -0.025 -0.001 54  PRO HHH HG3  
801  H HD2  . PRO A 52  ? 0.421 0.379 0.363 0.034  -0.030 -0.008 54  PRO HHH HD2  
802  H HD3  . PRO A 52  ? 0.411 0.380 0.355 0.031  -0.027 -0.005 54  PRO HHH HD3  
803  N N    . HIS A 53  ? 0.507 0.466 0.441 0.050  -0.031 -0.013 55  HIS HHH N    
804  C CA   . HIS A 53  ? 0.565 0.515 0.495 0.057  -0.033 -0.017 55  HIS HHH CA   
805  C C    . HIS A 53  ? 0.552 0.515 0.484 0.064  -0.032 -0.020 55  HIS HHH C    
806  O O    . HIS A 53  ? 0.563 0.524 0.493 0.070  -0.034 -0.022 55  HIS HHH O    
807  C CB   . HIS A 53  ? 0.601 0.544 0.528 0.057  -0.036 -0.021 55  HIS HHH CB   
808  C CG   . HIS A 53  ? 0.693 0.626 0.617 0.064  -0.039 -0.026 55  HIS HHH CG   
809  N ND1  . HIS A 53  ? 0.763 0.679 0.689 0.063  -0.040 -0.026 55  HIS HHH ND1  
810  C CD2  . HIS A 53  ? 0.743 0.681 0.663 0.072  -0.039 -0.031 55  HIS HHH CD2  
811  C CE1  . HIS A 53  ? 0.797 0.707 0.720 0.070  -0.042 -0.031 55  HIS HHH CE1  
812  N NE2  . HIS A 53  ? 0.765 0.688 0.683 0.076  -0.043 -0.034 55  HIS HHH NE2  
813  H H    . HIS A 53  ? 0.509 0.469 0.444 0.048  -0.030 -0.013 55  HIS HHH H    
814  H HA   . HIS A 53  ? 0.564 0.506 0.492 0.058  -0.034 -0.015 55  HIS HHH HA   
815  H HB2  . HIS A 53  ? 0.610 0.547 0.541 0.052  -0.037 -0.020 55  HIS HHH HB2  
816  H HB3  . HIS A 53  ? 0.608 0.559 0.534 0.058  -0.035 -0.023 55  HIS HHH HB3  
818  H HD2  . HIS A 53  ? 0.731 0.679 0.649 0.074  -0.037 -0.031 55  HIS HHH HD2  
819  H HE1  . HIS A 53  ? 0.792 0.689 0.716 0.071  -0.043 -0.032 55  HIS HHH HE1  
821  N N    . ASN A 54  ? 0.499 0.480 0.439 0.061  -0.026 -0.020 60  ASN HHH N    
822  C CA   . ASN A 54  ? 0.505 0.498 0.452 0.067  -0.023 -0.025 60  ASN HHH CA   
823  C C    . ASN A 54  ? 0.479 0.487 0.443 0.063  -0.018 -0.025 60  ASN HHH C    
824  O O    . ASN A 54  ? 0.488 0.510 0.466 0.066  -0.014 -0.030 60  ASN HHH O    
825  C CB   . ASN A 54  ? 0.507 0.501 0.449 0.071  -0.017 -0.027 60  ASN HHH CB   
826  C CG   . ASN A 54  ? 0.506 0.498 0.441 0.066  -0.012 -0.023 60  ASN HHH CG   
827  O OD1  . ASN A 54  ? 0.482 0.475 0.421 0.059  -0.011 -0.018 60  ASN HHH OD1  
828  N ND2  . ASN A 54  ? 0.498 0.485 0.420 0.072  -0.009 -0.024 60  ASN HHH ND2  
829  H H    . ASN A 54  ? 0.508 0.481 0.441 0.063  -0.028 -0.021 60  ASN HHH H    
830  H HA   . ASN A 54  ? 0.504 0.496 0.452 0.072  -0.027 -0.027 60  ASN HHH HA   
831  H HB2  . ASN A 54  ? 0.508 0.511 0.458 0.073  -0.013 -0.030 60  ASN HHH HB2  
832  H HB3  . ASN A 54  ? 0.516 0.501 0.450 0.074  -0.021 -0.029 60  ASN HHH HB3  
835  N N    . GLY A 55  ? 0.468 0.475 0.433 0.056  -0.019 -0.021 61  GLY HHH N    
836  C CA   . GLY A 55  ? 0.440 0.461 0.423 0.051  -0.016 -0.022 61  GLY HHH CA   
837  C C    . GLY A 55  ? 0.434 0.460 0.424 0.047  -0.004 -0.020 61  GLY HHH C    
838  O O    . GLY A 55  ? 0.446 0.482 0.453 0.042  -0.000 -0.021 61  GLY HHH O    
839  H H    . GLY A 55  ? 0.466 0.464 0.422 0.053  -0.021 -0.017 61  GLY HHH H    
840  H HA2  . GLY A 55  ? 0.440 0.457 0.419 0.048  -0.019 -0.020 61  GLY HHH HA2  
841  H HA3  . GLY A 55  ? 0.444 0.472 0.435 0.056  -0.018 -0.027 61  GLY HHH HA3  
842  N N    . GLU A 56  ? 0.442 0.460 0.418 0.048  0.001  -0.017 62  GLU HHH N    
843  C CA   . GLU A 56  ? 0.461 0.479 0.438 0.046  0.014  -0.012 62  GLU HHH CA   
844  C C    . GLU A 56  ? 0.443 0.458 0.420 0.039  0.014  -0.007 62  GLU HHH C    
845  O O    . GLU A 56  ? 0.402 0.410 0.369 0.037  0.004  -0.005 62  GLU HHH O    
846  C CB   . GLU A 56  ? 0.490 0.499 0.445 0.053  0.017  -0.010 62  GLU HHH CB   
847  C CG   . GLU A 56  ? 0.513 0.526 0.470 0.060  0.019  -0.016 62  GLU HHH CG   
848  C CD   . GLU A 56  ? 0.534 0.557 0.508 0.061  0.035  -0.016 62  GLU HHH CD   
849  O OE1  . GLU A 56  ? 0.585 0.604 0.553 0.060  0.049  -0.010 62  GLU HHH OE1  
850  O OE2  . GLU A 56  ? 0.606 0.642 0.599 0.062  0.035  -0.023 62  GLU HHH OE2  
851  H H    . GLU A 56  ? 0.452 0.463 0.417 0.052  -0.003 -0.017 62  GLU HHH H    
852  H HA   . GLU A 56  ? 0.457 0.485 0.450 0.045  0.021  -0.015 62  GLU HHH HA   
853  H HB2  . GLU A 56  ? 0.492 0.492 0.435 0.053  0.009  -0.010 62  GLU HHH HB2  
854  H HB3  . GLU A 56  ? 0.498 0.503 0.448 0.053  0.026  -0.006 62  GLU HHH HB3  
855  H HG2  . GLU A 56  ? 0.507 0.523 0.470 0.060  0.012  -0.019 62  GLU HHH HG2  
856  H HG3  . GLU A 56  ? 0.524 0.528 0.464 0.065  0.017  -0.015 62  GLU HHH HG3  
857  N N    . THR A 57  ? 0.423 0.442 0.412 0.035  0.025  -0.005 63  THR HHH N    
858  C CA   . THR A 57  ? 0.419 0.435 0.410 0.029  0.027  0.000  63  THR HHH CA   
859  C C    . THR A 57  ? 0.438 0.446 0.423 0.029  0.043  0.007  63  THR HHH C    
860  O O    . THR A 57  ? 0.435 0.444 0.422 0.033  0.055  0.008  63  THR HHH O    
861  C CB   . THR A 57  ? 0.408 0.435 0.424 0.023  0.025  -0.005 63  THR HHH CB   
862  O OG1  . THR A 57  ? 0.382 0.420 0.422 0.022  0.036  -0.009 63  THR HHH OG1  
863  C CG2  . THR A 57  ? 0.405 0.437 0.421 0.024  0.010  -0.010 63  THR HHH CG2  
864  H H    . THR A 57  ? 0.431 0.456 0.431 0.036  0.034  -0.006 63  THR HHH H    
865  H HA   . THR A 57  ? 0.419 0.429 0.397 0.029  0.019  0.002  63  THR HHH HA   
866  H HB   . THR A 57  ? 0.401 0.426 0.419 0.019  0.026  -0.002 63  THR HHH HB   
868  H HG21 . THR A 57  ? 0.404 0.427 0.405 0.025  0.005  -0.007 63  THR HHH HG21 
869  H HG22 . THR A 57  ? 0.397 0.435 0.425 0.022  0.007  -0.013 63  THR HHH HG22 
870  H HG23 . THR A 57  ? 0.405 0.441 0.424 0.028  0.008  -0.014 63  THR HHH HG23 
871  N N    . ASP A 58  ? 0.459 0.460 0.436 0.027  0.043  0.013  64  ASP HHH N    
872  C CA   . ASP A 58  ? 0.469 0.459 0.440 0.028  0.058  0.021  64  ASP HHH CA   
873  C C    . ASP A 58  ? 0.450 0.441 0.435 0.020  0.055  0.022  64  ASP HHH C    
874  O O    . ASP A 58  ? 0.423 0.415 0.403 0.018  0.041  0.020  64  ASP HHH O    
875  C CB   . ASP A 58  ? 0.550 0.524 0.486 0.038  0.055  0.026  64  ASP HHH CB   
876  C CG   . ASP A 58  ? 0.643 0.605 0.559 0.047  0.071  0.033  64  ASP HHH CG   
877  O OD1  . ASP A 58  ? 0.728 0.686 0.623 0.057  0.067  0.031  64  ASP HHH OD1  
878  O OD2  . ASP A 58  ? 0.701 0.658 0.624 0.045  0.089  0.040  64  ASP HHH OD2  
879  H H    . ASP A 58  ? 0.446 0.445 0.419 0.025  0.033  0.012  64  ASP HHH H    
880  H HA   . ASP A 58  ? 0.487 0.479 0.468 0.028  0.070  0.022  64  ASP HHH HA   
881  H HB2  . ASP A 58  ? 0.544 0.520 0.472 0.040  0.044  0.022  64  ASP HHH HB2  
882  H HB3  . ASP A 58  ? 0.548 0.517 0.478 0.037  0.052  0.029  64  ASP HHH HB3  
883  N N    . TYR A 59  ? 0.457 0.446 0.457 0.016  0.071  0.025  65  TYR HHH N    
884  C CA   . TYR A 59  ? 0.453 0.445 0.472 0.008  0.070  0.025  65  TYR HHH CA   
885  C C    . TYR A 59  ? 0.470 0.444 0.476 0.010  0.085  0.035  65  TYR HHH C    
886  O O    . TYR A 59  ? 0.468 0.433 0.466 0.015  0.101  0.041  65  TYR HHH O    
887  C CB   . TYR A 59  ? 0.438 0.446 0.497 -0.000 0.074  0.015  65  TYR HHH CB   
888  C CG   . TYR A 59  ? 0.434 0.458 0.504 0.000  0.059  0.004  65  TYR HHH CG   
889  C CD1  . TYR A 59  ? 0.431 0.459 0.494 0.000  0.042  0.001  65  TYR HHH CD1  
890  C CD2  . TYR A 59  ? 0.452 0.489 0.542 0.002  0.064  -0.003 65  TYR HHH CD2  
891  C CE1  . TYR A 59  ? 0.466 0.505 0.534 0.003  0.029  -0.008 65  TYR HHH CE1  
892  C CE2  . TYR A 59  ? 0.451 0.501 0.548 0.004  0.049  -0.013 65  TYR HHH CE2  
893  C CZ   . TYR A 59  ? 0.440 0.490 0.524 0.006  0.032  -0.015 65  TYR HHH CZ   
894  O OH   . TYR A 59  ? 0.382 0.440 0.467 0.010  0.018  -0.023 65  TYR HHH OH   
895  H H    . TYR A 59  ? 0.470 0.456 0.473 0.017  0.083  0.028  65  TYR HHH H    
896  H HA   . TYR A 59  ? 0.441 0.434 0.453 0.007  0.057  0.023  65  TYR HHH HA   
897  H HB2  . TYR A 59  ? 0.452 0.458 0.520 -0.000 0.088  0.017  65  TYR HHH HB2  
898  H HB3  . TYR A 59  ? 0.437 0.445 0.506 -0.005 0.073  0.014  65  TYR HHH HB3  
899  H HD1  . TYR A 59  ? 0.438 0.459 0.490 -0.000 0.039  0.005  65  TYR HHH HD1  
900  H HD2  . TYR A 59  ? 0.460 0.494 0.557 0.001  0.078  -0.001 65  TYR HHH HD2  
901  H HE1  . TYR A 59  ? 0.441 0.479 0.501 0.004  0.019  -0.009 65  TYR HHH HE1  
902  H HE2  . TYR A 59  ? 0.448 0.506 0.558 0.006  0.052  -0.019 65  TYR HHH HE2  
904  N N    . ALA A 60  ? 0.441 0.409 0.444 0.008  0.080  0.038  66  ALA HHH N    
905  C CA   . ALA A 60  ? 0.497 0.448 0.495 0.009  0.096  0.048  66  ALA HHH CA   
906  C C    . ALA A 60  ? 0.494 0.447 0.525 0.002  0.116  0.047  66  ALA HHH C    
907  O O    . ALA A 60  ? 0.442 0.411 0.509 -0.008 0.112  0.037  66  ALA HHH O    
908  C CB   . ALA A 60  ? 0.483 0.433 0.481 0.006  0.084  0.047  66  ALA HHH CB   
909  H H    . ALA A 60  ? 0.443 0.416 0.446 0.006  0.068  0.034  66  ALA HHH H    
910  H HA   . ALA A 60  ? 0.507 0.445 0.479 0.017  0.100  0.055  66  ALA HHH HA   
911  H HB1  . ALA A 60  ? 0.498 0.436 0.494 0.006  0.094  0.053  66  ALA HHH HB1  
912  H HB2  . ALA A 60  ? 0.483 0.431 0.462 0.011  0.073  0.047  66  ALA HHH HB2  
913  H HB3  . ALA A 60  ? 0.468 0.429 0.487 -0.001 0.078  0.040  66  ALA HHH HB3  
914  N N    . PRO A 61  ? 0.540 0.477 0.564 0.006  0.140  0.057  67  PRO HHH N    
915  C CA   . PRO A 61  ? 0.559 0.498 0.621 -0.002 0.163  0.056  67  PRO HHH CA   
916  C C    . PRO A 61  ? 0.557 0.499 0.654 -0.013 0.165  0.052  67  PRO HHH C    
917  O O    . PRO A 61  ? 0.524 0.480 0.666 -0.022 0.171  0.042  67  PRO HHH O    
918  C CB   . PRO A 61  ? 0.588 0.500 0.624 0.007  0.190  0.073  67  PRO HHH CB   
919  C CG   . PRO A 61  ? 0.618 0.521 0.602 0.023  0.177  0.078  67  PRO HHH CG   
920  C CD   . PRO A 61  ? 0.580 0.496 0.558 0.021  0.147  0.070  67  PRO HHH CD   
921  H HA   . PRO A 61  ? 0.545 0.499 0.626 -0.005 0.162  0.049  67  PRO HHH HA   
922  H HB2  . PRO A 61  ? 0.608 0.506 0.642 0.007  0.199  0.079  67  PRO HHH HB2  
923  H HB3  . PRO A 61  ? 0.601 0.517 0.656 0.005  0.205  0.072  67  PRO HHH HB3  
924  H HG2  . PRO A 61  ? 0.638 0.521 0.595 0.031  0.187  0.089  67  PRO HHH HG2  
925  H HG3  . PRO A 61  ? 0.611 0.521 0.594 0.025  0.179  0.075  67  PRO HHH HG3  
926  H HD2  . PRO A 61  ? 0.589 0.493 0.549 0.025  0.144  0.075  67  PRO HHH HD2  
927  H HD3  . PRO A 61  ? 0.575 0.496 0.538 0.026  0.135  0.066  67  PRO HHH HD3  
928  N N    . LYS A 62  ? 0.589 0.518 0.668 -0.011 0.158  0.057  68  LYS HHH N    
929  C CA   . LYS A 62  ? 0.639 0.572 0.751 -0.021 0.156  0.051  68  LYS HHH CA   
930  C C    . LYS A 62  ? 0.631 0.591 0.768 -0.028 0.133  0.033  68  LYS HHH C    
931  O O    . LYS A 62  ? 0.616 0.584 0.790 -0.036 0.134  0.024  68  LYS HHH O    
932  C CB   . LYS A 62  ? 0.676 0.589 0.759 -0.016 0.153  0.060  68  LYS HHH CB   
933  C CG   . LYS A 62  ? 0.785 0.668 0.850 -0.009 0.179  0.077  68  LYS HHH CG   
934  C CD   . LYS A 62  ? 0.835 0.698 0.865 -0.000 0.173  0.087  68  LYS HHH CD   
935  C CE   . LYS A 62  ? 0.915 0.744 0.909 0.013  0.195  0.105  68  LYS HHH CE   
936  N NZ   . LYS A 62  ? 0.961 0.774 0.914 0.026  0.182  0.112  68  LYS HHH NZ   
937  H H    . LYS A 62  ? 0.605 0.523 0.652 -0.003 0.153  0.064  68  LYS HHH H    
938  H HA   . LYS A 62  ? 0.645 0.575 0.782 -0.026 0.174  0.051  68  LYS HHH HA   
939  H HB2  . LYS A 62  ? 0.681 0.595 0.737 -0.010 0.139  0.062  68  LYS HHH HB2  
940  H HB3  . LYS A 62  ? 0.673 0.593 0.777 -0.022 0.147  0.054  68  LYS HHH HB3  
941  H HG2  . LYS A 62  ? 0.781 0.662 0.875 -0.017 0.194  0.076  68  LYS HHH HG2  
942  H HG3  . LYS A 62  ? 0.790 0.667 0.836 -0.003 0.186  0.083  68  LYS HHH HG3  
943  H HD2  . LYS A 62  ? 0.822 0.692 0.833 0.004  0.154  0.084  68  LYS HHH HD2  
944  H HD3  . LYS A 62  ? 0.827 0.691 0.878 -0.007 0.171  0.083  68  LYS HHH HD3  
945  H HE2  . LYS A 62  ? 0.928 0.746 0.941 0.008  0.214  0.109  68  LYS HHH HE2  
946  H HE3  . LYS A 62  ? 0.923 0.751 0.901 0.019  0.200  0.108  68  LYS HHH HE3  
947  H HZ1  . LYS A 62  ? 0.940 0.762 0.877 0.030  0.166  0.108  68  LYS HHH HZ1  
948  H HZ2  . LYS A 62  ? 0.982 0.773 0.911 0.035  0.196  0.123  68  LYS HHH HZ2  
949  H HZ3  . LYS A 62  ? 0.941 0.756 0.909 0.020  0.177  0.108  68  LYS HHH HZ3  
950  N N    . LEU A 63  ? 0.863 0.861 0.965 -0.019 0.078  0.016  69  LEU HHH N    
951  C CA   . LEU A 63  ? 0.826 0.819 0.957 -0.026 0.092  0.015  69  LEU HHH CA   
952  C C    . LEU A 63  ? 0.867 0.876 1.038 -0.030 0.101  0.004  69  LEU HHH C    
953  O O    . LEU A 63  ? 0.828 0.850 1.038 -0.037 0.099  -0.008 69  LEU HHH O    
954  C CB   . LEU A 63  ? 0.857 0.855 0.996 -0.029 0.079  0.009  69  LEU HHH CB   
955  C CG   . LEU A 63  ? 0.758 0.745 0.860 -0.024 0.068  0.017  69  LEU HHH CG   
956  C CD1  . LEU A 63  ? 0.756 0.750 0.836 -0.019 0.053  0.016  69  LEU HHH CD1  
957  C CD2  . LEU A 63  ? 0.809 0.797 0.921 -0.027 0.061  0.013  69  LEU HHH CD2  
958  H H    . LEU A 63  ? 0.852 0.839 0.930 -0.015 0.076  0.023  69  LEU HHH H    
959  H HA   . LEU A 63  ? 0.865 0.844 0.983 -0.023 0.104  0.025  69  LEU HHH HA   
960  H HB2  . LEU A 63  ? 0.807 0.820 0.959 -0.030 0.068  -0.001 69  LEU HHH HB2  
961  H HB3  . LEU A 63  ? 0.821 0.816 0.980 -0.033 0.088  0.008  69  LEU HHH HB3  
962  H HG   . LEU A 63  ? 0.804 0.777 0.890 -0.020 0.078  0.027  69  LEU HHH HG   
963  H HD11 . LEU A 63  ? 0.763 0.750 0.825 -0.014 0.057  0.022  69  LEU HHH HD11 
964  H HD12 . LEU A 63  ? 0.746 0.740 0.816 -0.018 0.044  0.016  69  LEU HHH HD12 
965  H HD13 . LEU A 63  ? 0.745 0.751 0.838 -0.020 0.048  0.008  69  LEU HHH HD13 
966  H HD21 . LEU A 63  ? 0.777 0.778 0.903 -0.029 0.051  0.003  69  LEU HHH HD21 
967  H HD22 . LEU A 63  ? 0.787 0.769 0.879 -0.024 0.055  0.018  69  LEU HHH HD22 
968  H HD23 . LEU A 63  ? 0.798 0.780 0.925 -0.030 0.071  0.014  69  LEU HHH HD23 
969  N N    . GLN A 64  ? 0.888 0.895 1.047 -0.026 0.110  0.009  70  GLN HHH N    
970  C CA   . GLN A 64  ? 0.815 0.839 0.996 -0.026 0.109  -0.001 70  GLN HHH CA   
971  C C    . GLN A 64  ? 0.746 0.785 0.982 -0.034 0.117  -0.015 70  GLN HHH C    
972  O O    . GLN A 64  ? 0.781 0.808 1.032 -0.040 0.133  -0.010 70  GLN HHH O    
973  C CB   . GLN A 64  ? 0.830 0.843 0.986 -0.019 0.123  0.010  70  GLN HHH CB   
974  C CG   . GLN A 64  ? 0.877 0.902 1.064 -0.021 0.138  0.004  70  GLN HHH CG   
975  C CD   . GLN A 64  ? 0.901 0.915 1.051 -0.011 0.145  0.013  70  GLN HHH CD   
976  O OE1  . GLN A 64  ? 0.952 0.948 1.087 -0.007 0.167  0.026  70  GLN HHH OE1  
977  N NE2  . GLN A 64  ? 0.795 0.818 0.928 -0.005 0.125  0.008  70  GLN HHH NE2  
978  H H    . GLN A 64  ? 0.882 0.876 1.017 -0.022 0.117  0.020  70  GLN HHH H    
979  H HA   . GLN A 64  ? 0.800 0.834 0.974 -0.023 0.092  -0.007 70  GLN HHH HA   
980  H HB2  . GLN A 64  ? 0.836 0.849 0.966 -0.014 0.111  0.012  70  GLN HHH HB2  
981  H HB3  . GLN A 64  ? 0.856 0.853 0.997 -0.018 0.136  0.021  70  GLN HHH HB3  
982  H HG2  . GLN A 64  ? 0.879 0.899 1.087 -0.025 0.155  0.005  70  GLN HHH HG2  
983  H HG3  . GLN A 64  ? 0.853 0.895 1.060 -0.022 0.127  -0.009 70  GLN HHH HG3  
986  N N    . ASP A 65  ? 0.678 0.740 0.941 -0.034 0.106  -0.031 71  ASP HHH N    
987  C CA   . ASP A 65  ? 0.651 0.733 0.968 -0.040 0.101  -0.052 71  ASP HHH CA   
988  C C    . ASP A 65  ? 0.570 0.661 0.877 -0.036 0.074  -0.062 71  ASP HHH C    
989  O O    . ASP A 65  ? 0.611 0.721 0.936 -0.032 0.058  -0.078 71  ASP HHH O    
990  C CB   . ASP A 65  ? 0.797 0.873 1.154 -0.050 0.125  -0.052 71  ASP HHH CB   
991  C CG   . ASP A 65  ? 0.882 0.941 1.232 -0.054 0.128  -0.044 71  ASP HHH CG   
992  O OD1  . ASP A 65  ? 0.990 1.060 1.363 -0.057 0.114  -0.058 71  ASP HHH OD1  
993  O OD2  . ASP A 65  ? 0.947 0.981 1.267 -0.054 0.146  -0.024 71  ASP HHH OD2  
994  H H    . ASP A 65  ? 0.684 0.750 0.932 -0.029 0.098  -0.032 71  ASP HHH H    
995  H HA   . ASP A 65  ? 0.662 0.756 0.994 -0.038 0.100  -0.060 71  ASP HHH HA   
996  H HB2  . ASP A 65  ? 0.774 0.866 1.171 -0.053 0.123  -0.067 71  ASP HHH HB2  
997  H HB3  . ASP A 65  ? 0.794 0.860 1.146 -0.050 0.143  -0.042 71  ASP HHH HB3  
998  N N    . ARG A 66  ? 0.481 0.557 0.756 -0.036 0.068  -0.051 72  ARG HHH N    
999  C CA   . ARG A 66  ? 0.427 0.512 0.698 -0.032 0.045  -0.061 72  ARG HHH CA   
1000 C C    . ARG A 66  ? 0.409 0.491 0.636 -0.023 0.029  -0.055 72  ARG HHH C    
1001 O O    . ARG A 66  ? 0.381 0.469 0.601 -0.018 0.012  -0.063 72  ARG HHH O    
1002 C CB   . ARG A 66  ? 0.409 0.481 0.676 -0.037 0.048  -0.056 72  ARG HHH CB   
1003 C CG   . ARG A 66  ? 0.419 0.489 0.729 -0.046 0.065  -0.061 72  ARG HHH CG   
1004 C CD   . ARG A 66  ? 0.398 0.462 0.712 -0.049 0.061  -0.062 72  ARG HHH CD   
1005 N NE   . ARG A 66  ? 0.394 0.436 0.669 -0.048 0.067  -0.043 72  ARG HHH NE   
1006 C CZ   . ARG A 66  ? 0.414 0.451 0.660 -0.044 0.053  -0.039 72  ARG HHH CZ   
1007 N NH1  . ARG A 66  ? 0.427 0.479 0.674 -0.040 0.033  -0.052 72  ARG HHH NH1  
1008 N NH2  . ARG A 66  ? 0.432 0.450 0.648 -0.043 0.059  -0.023 72  ARG HHH NH2  
1009 H H    . ARG A 66  ? 0.497 0.559 0.753 -0.036 0.077  -0.039 72  ARG HHH H    
1010 H HA   . ARG A 66  ? 0.425 0.524 0.723 -0.032 0.038  -0.076 72  ARG HHH HA   
1011 H HB2  . ARG A 66  ? 0.419 0.477 0.657 -0.036 0.052  -0.042 72  ARG HHH HB2  
1012 H HB3  . ARG A 66  ? 0.408 0.485 0.671 -0.034 0.033  -0.063 72  ARG HHH HB3  
1013 H HG2  . ARG A 66  ? 0.410 0.496 0.753 -0.047 0.063  -0.074 72  ARG HHH HG2  
1014 H HG3  . ARG A 66  ? 0.424 0.483 0.730 -0.048 0.081  -0.049 72  ARG HHH HG3  
1015 H HD2  . ARG A 66  ? 0.392 0.466 0.706 -0.045 0.044  -0.072 72  ARG HHH HD2  
1016 H HD3  . ARG A 66  ? 0.405 0.470 0.753 -0.055 0.071  -0.068 72  ARG HHH HD3  
1017 H HE   . ARG A 66  ? 0.415 0.445 0.686 -0.050 0.081  -0.033 72  ARG HHH HE   
1018 H HH11 . ARG A 66  ? 0.414 0.478 0.678 -0.039 0.027  -0.063 72  ARG HHH HH11 
1019 H HH12 . ARG A 66  ? 0.415 0.463 0.643 -0.037 0.026  -0.049 72  ARG HHH HH12 
1020 H HH21 . ARG A 66  ? 0.439 0.447 0.651 -0.044 0.072  -0.014 72  ARG HHH HH21 
1021 H HH22 . ARG A 66  ? 0.425 0.441 0.624 -0.041 0.051  -0.021 72  ARG HHH HH22 
1022 N N    . VAL A 67  ? 0.374 0.444 0.570 -0.021 0.036  -0.041 73  VAL HHH N    
1023 C CA   . VAL A 67  ? 0.382 0.446 0.538 -0.014 0.023  -0.034 73  VAL HHH CA   
1024 C C    . VAL A 67  ? 0.374 0.445 0.525 -0.008 0.019  -0.038 73  VAL HHH C    
1025 O O    . VAL A 67  ? 0.355 0.428 0.518 -0.009 0.030  -0.037 73  VAL HHH O    
1026 C CB   . VAL A 67  ? 0.388 0.433 0.513 -0.015 0.030  -0.018 73  VAL HHH CB   
1027 C CG1  . VAL A 67  ? 0.432 0.468 0.550 -0.015 0.046  -0.009 73  VAL HHH CG1  
1028 C CG2  . VAL A 67  ? 0.396 0.437 0.490 -0.010 0.017  -0.014 73  VAL HHH CG2  
1029 H H    . VAL A 67  ? 0.393 0.458 0.591 -0.023 0.049  -0.035 73  VAL HHH H    
1030 H HA   . VAL A 67  ? 0.374 0.441 0.528 -0.013 0.013  -0.039 73  VAL HHH HA   
1031 H HB   . VAL A 67  ? 0.397 0.438 0.527 -0.019 0.033  -0.016 73  VAL HHH HB   
1032 H HG11 . VAL A 67  ? 0.427 0.463 0.565 -0.019 0.057  -0.010 73  VAL HHH HG11 
1033 H HG12 . VAL A 67  ? 0.428 0.453 0.524 -0.013 0.048  0.000  73  VAL HHH HG12 
1034 H HG13 . VAL A 67  ? 0.421 0.462 0.537 -0.011 0.044  -0.011 73  VAL HHH HG13 
1035 H HG21 . VAL A 67  ? 0.394 0.435 0.480 -0.007 0.016  -0.013 73  VAL HHH HG21 
1036 H HG22 . VAL A 67  ? 0.395 0.426 0.474 -0.011 0.018  -0.007 73  VAL HHH HG22 
1037 H HG23 . VAL A 67  ? 0.387 0.434 0.485 -0.009 0.008  -0.020 73  VAL HHH HG23 
1038 N N    . THR A 68  ? 0.366 0.439 0.498 -0.001 0.003  -0.040 74  THR HHH N    
1039 C CA   . THR A 68  ? 0.380 0.455 0.499 0.006  -0.002 -0.041 74  THR HHH CA   
1040 C C    . THR A 68  ? 0.410 0.472 0.493 0.010  -0.010 -0.032 74  THR HHH C    
1041 O O    . THR A 68  ? 0.397 0.456 0.470 0.012  -0.019 -0.033 74  THR HHH O    
1042 C CB   . THR A 68  ? 0.418 0.510 0.556 0.014  -0.014 -0.057 74  THR HHH CB   
1043 O OG1  . THR A 68  ? 0.454 0.560 0.634 0.009  -0.008 -0.069 74  THR HHH OG1  
1044 C CG2  . THR A 68  ? 0.439 0.532 0.567 0.022  -0.018 -0.059 74  THR HHH CG2  
1045 H H    . THR A 68  ? 0.368 0.439 0.492 0.000  -0.004 -0.041 74  THR HHH H    
1046 H HA   . THR A 68  ? 0.393 0.466 0.514 0.005  0.007  -0.038 74  THR HHH HA   
1047 H HB   . THR A 68  ? 0.420 0.511 0.550 0.017  -0.024 -0.060 74  THR HHH HB   
1049 H HG21 . THR A 68  ? 0.437 0.521 0.540 0.026  -0.025 -0.054 74  THR HHH HG21 
1050 H HG22 . THR A 68  ? 0.435 0.540 0.579 0.026  -0.024 -0.070 74  THR HHH HG22 
1051 H HG23 . THR A 68  ? 0.435 0.525 0.562 0.019  -0.009 -0.053 74  THR HHH HG23 
1052 N N    . VAL A 69  ? 0.385 0.439 0.450 0.012  -0.007 -0.025 75  VAL HHH N    
1053 C CA   . VAL A 69  ? 0.404 0.446 0.441 0.016  -0.014 -0.019 75  VAL HHH CA   
1054 C C    . VAL A 69  ? 0.384 0.428 0.415 0.024  -0.019 -0.023 75  VAL HHH C    
1055 O O    . VAL A 69  ? 0.374 0.422 0.413 0.026  -0.014 -0.025 75  VAL HHH O    
1056 C CB   . VAL A 69  ? 0.440 0.470 0.462 0.012  -0.007 -0.009 75  VAL HHH CB   
1057 C CG1  . VAL A 69  ? 0.512 0.531 0.512 0.016  -0.013 -0.005 75  VAL HHH CG1  
1058 C CG2  . VAL A 69  ? 0.434 0.461 0.458 0.006  -0.004 -0.005 75  VAL HHH CG2  
1059 H H    . VAL A 69  ? 0.398 0.453 0.467 0.012  -0.000 -0.024 75  VAL HHH H    
1060 H HA   . VAL A 69  ? 0.401 0.442 0.434 0.017  -0.019 -0.020 75  VAL HHH HA   
1061 H HB   . VAL A 69  ? 0.448 0.479 0.472 0.013  -0.001 -0.008 75  VAL HHH HB   
1062 H HG11 . VAL A 69  ? 0.492 0.511 0.489 0.019  -0.014 -0.006 75  VAL HHH HG11 
1063 H HG12 . VAL A 69  ? 0.490 0.503 0.483 0.013  -0.012 -0.001 75  VAL HHH HG12 
1064 H HG13 . VAL A 69  ? 0.488 0.507 0.486 0.017  -0.018 -0.006 75  VAL HHH HG13 
1065 H HG21 . VAL A 69  ? 0.432 0.459 0.456 0.006  -0.009 -0.007 75  VAL HHH HG21 
1066 H HG22 . VAL A 69  ? 0.438 0.457 0.451 0.006  -0.002 0.000  75  VAL HHH HG22 
1067 H HG23 . VAL A 69  ? 0.434 0.466 0.473 0.004  0.002  -0.007 75  VAL HHH HG23 
1068 N N    . THR A 70  ? 0.382 0.418 0.396 0.030  -0.027 -0.022 76  THR HHH N    
1069 C CA   . THR A 70  ? 0.423 0.456 0.426 0.040  -0.033 -0.024 76  THR HHH CA   
1070 C C    . THR A 70  ? 0.413 0.429 0.392 0.041  -0.034 -0.016 76  THR HHH C    
1071 O O    . THR A 70  ? 0.383 0.393 0.358 0.035  -0.032 -0.010 76  THR HHH O    
1072 C CB   . THR A 70  ? 0.444 0.487 0.455 0.049  -0.043 -0.035 76  THR HHH CB   
1073 O OG1  . THR A 70  ? 0.431 0.472 0.434 0.051  -0.047 -0.035 76  THR HHH OG1  
1074 C CG2  . THR A 70  ? 0.447 0.510 0.489 0.048  -0.042 -0.046 76  THR HHH CG2  
1075 H H    . THR A 70  ? 0.391 0.423 0.399 0.029  -0.029 -0.020 76  THR HHH H    
1076 H HA   . THR A 70  ? 0.416 0.451 0.423 0.039  -0.030 -0.024 76  THR HHH HA   
1077 H HB   . THR A 70  ? 0.448 0.487 0.448 0.057  -0.046 -0.035 76  THR HHH HB   
1079 H HG21 . THR A 70  ? 0.443 0.507 0.489 0.046  -0.036 -0.045 76  THR HHH HG21 
1080 H HG22 . THR A 70  ? 0.448 0.518 0.496 0.055  -0.049 -0.055 76  THR HHH HG22 
1081 H HG23 . THR A 70  ? 0.437 0.504 0.490 0.041  -0.038 -0.046 76  THR HHH HG23 
1082 N N    . CYS A 71  ? 0.442 0.450 0.409 0.048  -0.037 -0.015 77  CYS HHH N    
1083 C CA   . CYS A 71  ? 0.484 0.472 0.432 0.050  -0.035 -0.007 77  CYS HHH CA   
1084 C C    . CYS A 71  ? 0.513 0.494 0.448 0.063  -0.040 -0.009 77  CYS HHH C    
1085 O O    . CYS A 71  ? 0.514 0.503 0.455 0.069  -0.044 -0.015 77  CYS HHH O    
1086 C CB   . CYS A 71  ? 0.526 0.506 0.473 0.044  -0.031 -0.003 77  CYS HHH CB   
1087 S SG   . CYS A 71  ? 0.607 0.567 0.542 0.041  -0.027 0.005  77  CYS HHH SG   
1088 H H    . CYS A 71  ? 0.447 0.460 0.418 0.053  -0.039 -0.019 77  CYS HHH H    
1089 H HA   . CYS A 71  ? 0.487 0.472 0.432 0.048  -0.034 -0.005 77  CYS HHH HA   
1090 H HB2  . CYS A 71  ? 0.521 0.508 0.476 0.038  -0.029 -0.003 77  CYS HHH HB2  
1091 H HB3  . CYS A 71  ? 0.534 0.515 0.480 0.047  -0.032 -0.005 77  CYS HHH HB3  
1093 N N    . ASP A 72  ? 0.509 0.475 0.426 0.069  -0.040 -0.004 78  ASP HHH N    
1094 C CA   . ASP A 72  ? 0.500 0.452 0.396 0.084  -0.043 -0.002 78  ASP HHH CA   
1095 C C    . ASP A 72  ? 0.512 0.441 0.397 0.081  -0.034 0.007  78  ASP HHH C    
1096 O O    . ASP A 72  ? 0.463 0.379 0.342 0.077  -0.026 0.015  78  ASP HHH O    
1097 C CB   . ASP A 72  ? 0.504 0.452 0.385 0.095  -0.046 -0.002 78  ASP HHH CB   
1098 C CG   . ASP A 72  ? 0.539 0.470 0.394 0.113  -0.049 -0.000 78  ASP HHH CG   
1099 O OD1  . ASP A 72  ? 0.561 0.501 0.420 0.122  -0.058 -0.009 78  ASP HHH OD1  
1100 O OD2  . ASP A 72  ? 0.564 0.473 0.395 0.119  -0.042 0.010  78  ASP HHH OD2  
1101 H H    . ASP A 72  ? 0.503 0.466 0.419 0.065  -0.036 0.000  78  ASP HHH H    
1102 H HA   . ASP A 72  ? 0.504 0.464 0.405 0.089  -0.048 -0.008 78  ASP HHH HA   
1103 H HB2  . ASP A 72  ? 0.499 0.463 0.390 0.096  -0.052 -0.010 78  ASP HHH HB2  
1104 H HB3  . ASP A 72  ? 0.508 0.449 0.384 0.090  -0.040 0.004  78  ASP HHH HB3  
1105 N N    . THR A 73  ? 0.493 0.418 0.378 0.084  -0.035 0.006  79  THR HHH N    
1106 C CA   . THR A 73  ? 0.506 0.409 0.384 0.082  -0.028 0.012  79  THR HHH CA   
1107 C C    . THR A 73  ? 0.528 0.406 0.384 0.091  -0.021 0.022  79  THR HHH C    
1108 O O    . THR A 73  ? 0.520 0.382 0.378 0.083  -0.011 0.029  79  THR HHH O    
1109 C CB   . THR A 73  ? 0.543 0.446 0.423 0.088  -0.032 0.008  79  THR HHH CB   
1110 O OG1  . THR A 73  ? 0.498 0.423 0.397 0.079  -0.035 0.001  79  THR HHH OG1  
1111 C CG2  . THR A 73  ? 0.568 0.447 0.444 0.086  -0.026 0.013  79  THR HHH CG2  
1112 H H    . THR A 73  ? 0.494 0.429 0.385 0.088  -0.041 -0.000 79  THR HHH H    
1113 H HA   . THR A 73  ? 0.500 0.404 0.389 0.072  -0.025 0.013  79  THR HHH HA   
1114 H HB   . THR A 73  ? 0.543 0.447 0.415 0.099  -0.037 0.005  79  THR HHH HB   
1116 H HG21 . THR A 73  ? 0.585 0.448 0.446 0.095  -0.023 0.017  79  THR HHH HG21 
1117 H HG22 . THR A 73  ? 0.562 0.444 0.443 0.086  -0.028 0.008  79  THR HHH HG22 
1118 H HG23 . THR A 73  ? 0.560 0.435 0.443 0.077  -0.020 0.015  79  THR HHH HG23 
1119 N N    . SER A 74  ? 0.509 0.382 0.345 0.108  -0.027 0.021  80  SER HHH N    
1120 C CA   . SER A 74  ? 0.561 0.406 0.369 0.122  -0.020 0.031  80  SER HHH CA   
1121 C C    . SER A 74  ? 0.557 0.393 0.360 0.115  -0.008 0.040  80  SER HHH C    
1122 O O    . SER A 74  ? 0.580 0.389 0.371 0.117  0.006  0.050  80  SER HHH O    
1123 C CB   . SER A 74  ? 0.607 0.453 0.393 0.143  -0.031 0.027  80  SER HHH CB   
1124 O OG   . SER A 74  ? 0.701 0.522 0.455 0.157  -0.024 0.037  80  SER HHH OG   
1125 H H    . SER A 74  ? 0.516 0.403 0.355 0.114  -0.035 0.014  80  SER HHH H    
1126 H HA   . SER A 74  ? 0.572 0.402 0.378 0.121  -0.014 0.036  80  SER HHH HA   
1127 H HB2  . SER A 74  ? 0.620 0.463 0.405 0.149  -0.034 0.024  80  SER HHH HB2  
1128 H HB3  . SER A 74  ? 0.598 0.465 0.394 0.143  -0.039 0.018  80  SER HHH HB3  
1130 N N    . THR A 75  ? 0.512 0.369 0.327 0.108  -0.012 0.035  81  THR HHH N    
1131 C CA   . THR A 75  ? 0.512 0.362 0.323 0.104  -0.002 0.042  81  THR HHH CA   
1132 C C    . THR A 75  ? 0.497 0.356 0.336 0.083  0.003  0.041  81  THR HHH C    
1133 O O    . THR A 75  ? 0.506 0.365 0.349 0.077  0.011  0.045  81  THR HHH O    
1134 C CB   . THR A 75  ? 0.510 0.375 0.312 0.113  -0.012 0.036  81  THR HHH CB   
1135 O OG1  . THR A 75  ? 0.456 0.350 0.285 0.102  -0.022 0.025  81  THR HHH OG1  
1136 C CG2  . THR A 75  ? 0.543 0.399 0.315 0.137  -0.020 0.034  81  THR HHH CG2  
1137 H H    . THR A 75  ? 0.498 0.374 0.325 0.106  -0.021 0.027  81  THR HHH H    
1138 H HA   . THR A 75  ? 0.540 0.368 0.334 0.110  0.007  0.050  81  THR HHH HA   
1139 H HB   . THR A 75  ? 0.511 0.369 0.309 0.110  -0.004 0.041  81  THR HHH HB   
1141 H HG21 . THR A 75  ? 0.569 0.403 0.318 0.145  -0.011 0.043  81  THR HHH HG21 
1142 H HG22 . THR A 75  ? 0.537 0.407 0.309 0.141  -0.028 0.027  81  THR HHH HG22 
1143 H HG23 . THR A 75  ? 0.542 0.401 0.316 0.141  -0.026 0.030  81  THR HHH HG23 
1144 N N    . ASN A 76  ? 0.483 0.353 0.342 0.074  -0.001 0.036  82  ASN HHH N    
1145 C CA   . ASN A 76  ? 0.490 0.366 0.374 0.057  0.002  0.034  82  ASN HHH CA   
1146 C C    . ASN A 76  ? 0.471 0.367 0.367 0.049  -0.001 0.030  82  ASN HHH C    
1147 O O    . ASN A 76  ? 0.474 0.370 0.384 0.039  0.005  0.031  82  ASN HHH O    
1148 C CB   . ASN A 76  ? 0.493 0.344 0.379 0.053  0.017  0.042  82  ASN HHH CB   
1149 C CG   . ASN A 76  ? 0.498 0.353 0.410 0.039  0.017  0.036  82  ASN HHH CG   
1150 O OD1  . ASN A 76  ? 0.476 0.339 0.393 0.040  0.008  0.030  82  ASN HHH OD1  
1151 N ND2  . ASN A 76  ? 0.473 0.324 0.403 0.029  0.026  0.037  82  ASN HHH ND2  
1152 H H    . ASN A 76  ? 0.487 0.361 0.345 0.078  -0.008 0.032  82  ASN HHH H    
1153 H HA   . ASN A 76  ? 0.474 0.356 0.366 0.055  -0.002 0.029  82  ASN HHH HA   
1154 H HB2  . ASN A 76  ? 0.521 0.357 0.393 0.061  0.021  0.046  82  ASN HHH HB2  
1155 H HB3  . ASN A 76  ? 0.503 0.353 0.388 0.051  0.023  0.045  82  ASN HHH HB3  
1158 N N    . THR A 77  ? 0.469 0.381 0.361 0.055  -0.010 0.025  83  THR HHH N    
1159 C CA   . THR A 77  ? 0.443 0.370 0.344 0.050  -0.013 0.022  83  THR HHH CA   
1160 C C    . THR A 77  ? 0.434 0.383 0.350 0.047  -0.022 0.013  83  THR HHH C    
1161 O O    . THR A 77  ? 0.440 0.394 0.354 0.055  -0.028 0.008  83  THR HHH O    
1162 C CB   . THR A 77  ? 0.480 0.404 0.362 0.062  -0.014 0.023  83  THR HHH CB   
1163 O OG1  . THR A 77  ? 0.493 0.394 0.358 0.066  -0.003 0.033  83  THR HHH OG1  
1164 C CG2  . THR A 77  ? 0.487 0.427 0.380 0.057  -0.018 0.018  83  THR HHH CG2  
1165 H H    . THR A 77  ? 0.470 0.383 0.356 0.062  -0.015 0.022  83  THR HHH H    
1166 H HA   . THR A 77  ? 0.445 0.371 0.354 0.042  -0.008 0.024  83  THR HHH HA   
1167 H HB   . THR A 77  ? 0.484 0.410 0.359 0.071  -0.021 0.019  83  THR HHH HB   
1169 H HG21 . THR A 77  ? 0.470 0.423 0.371 0.057  -0.025 0.012  83  THR HHH HG21 
1170 H HG22 . THR A 77  ? 0.492 0.427 0.372 0.064  -0.016 0.020  83  THR HHH HG22 
1171 H HG23 . THR A 77  ? 0.469 0.410 0.373 0.047  -0.013 0.020  83  THR HHH HG23 
1172 N N    . ALA A 78  ? 0.421 0.381 0.352 0.037  -0.022 0.012  84  ALA HHH N    
1173 C CA   . ALA A 78  ? 0.397 0.374 0.342 0.033  -0.026 0.006  84  ALA HHH CA   
1174 C C    . ALA A 78  ? 0.412 0.399 0.363 0.032  -0.028 0.002  84  ALA HHH C    
1175 O O    . ALA A 78  ? 0.393 0.374 0.336 0.034  -0.026 0.005  84  ALA HHH O    
1176 C CB   . ALA A 78  ? 0.410 0.388 0.364 0.023  -0.023 0.007  84  ALA HHH CB   
1177 H H    . ALA A 78  ? 0.416 0.373 0.349 0.032  -0.018 0.014  84  ALA HHH H    
1178 H HA   . ALA A 78  ? 0.409 0.390 0.355 0.037  -0.029 0.002  84  ALA HHH HA   
1179 H HB1  . ALA A 78  ? 0.396 0.383 0.357 0.022  -0.024 0.004  84  ALA HHH HB1  
1180 H HB2  . ALA A 78  ? 0.408 0.379 0.359 0.024  -0.022 0.008  84  ALA HHH HB2  
1181 H HB3  . ALA A 78  ? 0.401 0.377 0.356 0.019  -0.021 0.009  84  ALA HHH HB3  
1182 N N    . PHE A 79  ? 0.407 0.408 0.372 0.032  -0.031 -0.005 85  PHE HHH N    
1183 C CA   . PHE A 79  ? 0.381 0.393 0.356 0.033  -0.035 -0.011 85  PHE HHH CA   
1184 C C    . PHE A 79  ? 0.395 0.418 0.391 0.024  -0.031 -0.014 85  PHE HHH C    
1185 O O    . PHE A 79  ? 0.374 0.400 0.376 0.023  -0.029 -0.014 85  PHE HHH O    
1186 C CB   . PHE A 79  ? 0.389 0.409 0.364 0.045  -0.044 -0.020 85  PHE HHH CB   
1187 C CG   . PHE A 79  ? 0.423 0.429 0.372 0.057  -0.046 -0.017 85  PHE HHH CG   
1188 C CD1  . PHE A 79  ? 0.429 0.429 0.364 0.063  -0.048 -0.016 85  PHE HHH CD1  
1189 C CD2  . PHE A 79  ? 0.447 0.443 0.383 0.063  -0.046 -0.014 85  PHE HHH CD2  
1190 C CE1  . PHE A 79  ? 0.464 0.447 0.371 0.076  -0.047 -0.011 85  PHE HHH CE1  
1191 C CE2  . PHE A 79  ? 0.484 0.463 0.394 0.075  -0.047 -0.009 85  PHE HHH CE2  
1192 C CZ   . PHE A 79  ? 0.491 0.463 0.386 0.082  -0.046 -0.007 85  PHE HHH CZ   
1193 H H    . PHE A 79  ? 0.398 0.404 0.369 0.032  -0.031 -0.007 85  PHE HHH H    
1194 H HA   . PHE A 79  ? 0.392 0.399 0.361 0.032  -0.034 -0.008 85  PHE HHH HA   
1195 H HB2  . PHE A 79  ? 0.390 0.415 0.374 0.045  -0.044 -0.024 85  PHE HHH HB2  
1196 H HB3  . PHE A 79  ? 0.389 0.417 0.374 0.045  -0.047 -0.026 85  PHE HHH HB3  
1197 H HD1  . PHE A 79  ? 0.427 0.433 0.370 0.059  -0.048 -0.018 85  PHE HHH HD1  
1198 H HD2  . PHE A 79  ? 0.440 0.440 0.385 0.060  -0.045 -0.015 85  PHE HHH HD2  
1199 H HE1  . PHE A 79  ? 0.475 0.453 0.370 0.081  -0.047 -0.010 85  PHE HHH HE1  
1200 H HE2  . PHE A 79  ? 0.486 0.458 0.389 0.080  -0.046 -0.007 85  PHE HHH HE2  
1201 H HZ   . PHE A 79  ? 0.507 0.465 0.381 0.091  -0.045 -0.003 85  PHE HHH HZ   
1202 N N    . MET A 80  ? 0.398 0.425 0.403 0.020  -0.031 -0.015 86  MET HHH N    
1203 C CA   . MET A 80  ? 0.377 0.412 0.403 0.012  -0.026 -0.018 86  MET HHH CA   
1204 C C    . MET A 80  ? 0.361 0.406 0.403 0.015  -0.031 -0.028 86  MET HHH C    
1205 O O    . MET A 80  ? 0.334 0.377 0.368 0.018  -0.036 -0.029 86  MET HHH O    
1206 C CB   . MET A 80  ? 0.362 0.389 0.383 0.005  -0.020 -0.009 86  MET HHH CB   
1207 C CG   . MET A 80  ? 0.404 0.433 0.441 -0.001 -0.012 -0.009 86  MET HHH CG   
1208 S SD   . MET A 80  ? 0.459 0.498 0.519 -0.003 -0.014 -0.018 86  MET HHH SD   
1209 C CE   . MET A 80  ? 0.463 0.494 0.507 -0.003 -0.019 -0.014 86  MET HHH CE   
1210 H H    . MET A 80  ? 0.395 0.419 0.394 0.021  -0.032 -0.014 86  MET HHH H    
1211 H HA   . MET A 80  ? 0.374 0.412 0.406 0.012  -0.023 -0.019 86  MET HHH HA   
1212 H HB2  . MET A 80  ? 0.377 0.397 0.388 0.005  -0.019 -0.004 86  MET HHH HB2  
1213 H HB3  . MET A 80  ? 0.375 0.400 0.393 0.005  -0.022 -0.009 86  MET HHH HB3  
1214 H HG2  . MET A 80  ? 0.407 0.439 0.450 -0.000 -0.009 -0.010 86  MET HHH HG2  
1215 H HG3  . MET A 80  ? 0.406 0.429 0.436 -0.003 -0.009 -0.003 86  MET HHH HG3  
1216 H HE1  . MET A 80  ? 0.460 0.493 0.514 -0.005 -0.018 -0.016 86  MET HHH HE1  
1217 H HE2  . MET A 80  ? 0.462 0.486 0.495 -0.004 -0.016 -0.007 86  MET HHH HE2  
1218 H HE3  . MET A 80  ? 0.463 0.496 0.501 0.002  -0.024 -0.016 86  MET HHH HE3  
1219 N N    . GLU A 81  ? 0.345 0.403 0.411 0.015  -0.031 -0.038 87  GLU HHH N    
1220 C CA   . GLU A 81  ? 0.370 0.441 0.461 0.016  -0.037 -0.051 87  GLU HHH CA   
1221 C C    . GLU A 81  ? 0.384 0.457 0.501 0.005  -0.026 -0.051 87  GLU HHH C    
1222 O O    . GLU A 81  ? 0.381 0.454 0.508 0.000  -0.015 -0.047 87  GLU HHH O    
1223 C CB   . GLU A 81  ? 0.404 0.489 0.511 0.024  -0.044 -0.065 87  GLU HHH CB   
1224 C CG   . GLU A 81  ? 0.453 0.552 0.589 0.026  -0.052 -0.082 87  GLU HHH CG   
1225 C CD   . GLU A 81  ? 0.536 0.650 0.687 0.036  -0.063 -0.099 87  GLU HHH CD   
1226 O OE1  . GLU A 81  ? 0.626 0.749 0.802 0.032  -0.057 -0.103 87  GLU HHH OE1  
1227 O OE2  . GLU A 81  ? 0.588 0.704 0.725 0.050  -0.078 -0.107 87  GLU HHH OE2  
1228 H H    . GLU A 81  ? 0.354 0.413 0.425 0.014  -0.028 -0.037 87  GLU HHH H    
1229 H HA   . GLU A 81  ? 0.377 0.445 0.459 0.019  -0.042 -0.052 87  GLU HHH HA   
1230 H HB2  . GLU A 81  ? 0.415 0.496 0.503 0.032  -0.051 -0.064 87  GLU HHH HB2  
1231 H HB3  . GLU A 81  ? 0.405 0.492 0.523 0.020  -0.038 -0.064 87  GLU HHH HB3  
1232 H HG2  . GLU A 81  ? 0.452 0.555 0.610 0.017  -0.044 -0.083 87  GLU HHH HG2  
1233 H HG3  . GLU A 81  ? 0.462 0.557 0.585 0.029  -0.058 -0.083 87  GLU HHH HG3  
1234 N N    . LEU A 82  ? 0.366 0.440 0.493 0.002  -0.027 -0.055 88  LEU HHH N    
1235 C CA   . LEU A 82  ? 0.355 0.428 0.508 -0.008 -0.016 -0.055 88  LEU HHH CA   
1236 C C    . LEU A 82  ? 0.354 0.442 0.541 -0.007 -0.023 -0.074 88  LEU HHH C    
1237 O O    . LEU A 82  ? 0.349 0.439 0.527 -0.000 -0.036 -0.080 88  LEU HHH O    
1238 C CB   . LEU A 82  ? 0.363 0.422 0.498 -0.012 -0.011 -0.043 88  LEU HHH CB   
1239 C CG   . LEU A 82  ? 0.389 0.442 0.544 -0.021 0.003  -0.039 88  LEU HHH CG   
1240 C CD1  . LEU A 82  ? 0.390 0.438 0.547 -0.024 0.018  -0.031 88  LEU HHH CD1  
1241 C CD2  . LEU A 82  ? 0.393 0.433 0.530 -0.022 0.005  -0.029 88  LEU HHH CD2  
1242 H H    . LEU A 82  ? 0.369 0.444 0.488 0.007  -0.035 -0.058 88  LEU HHH H    
1243 H HA   . LEU A 82  ? 0.359 0.433 0.521 -0.011 -0.008 -0.053 88  LEU HHH HA   
1244 H HB2  . LEU A 82  ? 0.367 0.419 0.482 -0.011 -0.009 -0.033 88  LEU HHH HB2  
1245 H HB3  . LEU A 82  ? 0.366 0.426 0.495 -0.009 -0.018 -0.046 88  LEU HHH HB3  
1246 H HG   . LEU A 82  ? 0.383 0.444 0.563 -0.022 0.001  -0.050 88  LEU HHH HG   
1247 H HD11 . LEU A 82  ? 0.390 0.448 0.569 -0.024 0.019  -0.039 88  LEU HHH HD11 
1248 H HD12 . LEU A 82  ? 0.397 0.436 0.558 -0.028 0.027  -0.025 88  LEU HHH HD12 
1249 H HD13 . LEU A 82  ? 0.391 0.435 0.527 -0.021 0.016  -0.025 88  LEU HHH HD13 
1250 H HD21 . LEU A 82  ? 0.393 0.427 0.509 -0.021 0.005  -0.021 88  LEU HHH HD21 
1251 H HD22 . LEU A 82  ? 0.396 0.431 0.545 -0.027 0.013  -0.027 88  LEU HHH HD22 
1252 H HD23 . LEU A 82  ? 0.390 0.433 0.524 -0.020 -0.004 -0.034 88  LEU HHH HD23 
1253 N N    . SER A 83  ? 0.346 0.443 0.571 -0.013 -0.015 -0.082 89  SER HHH N    
1254 C CA   . SER A 83  ? 0.378 0.492 0.644 -0.011 -0.023 -0.104 89  SER HHH CA   
1255 C C    . SER A 83  ? 0.359 0.469 0.657 -0.023 -0.011 -0.106 89  SER HHH C    
1256 O O    . SER A 83  ? 0.353 0.445 0.638 -0.030 0.005  -0.088 89  SER HHH O    
1257 C CB   . SER A 83  ? 0.416 0.545 0.707 -0.008 -0.025 -0.116 89  SER HHH CB   
1258 O OG   . SER A 83  ? 0.464 0.591 0.783 -0.019 -0.004 -0.111 89  SER HHH OG   
1259 H H    . SER A 83  ? 0.356 0.449 0.586 -0.017 -0.004 -0.076 89  SER HHH H    
1260 H HA   . SER A 83  ? 0.376 0.493 0.631 -0.004 -0.037 -0.111 89  SER HHH HA   
1261 H HB2  . SER A 83  ? 0.418 0.560 0.732 -0.004 -0.035 -0.133 89  SER HHH HB2  
1262 H HB3  . SER A 83  ? 0.417 0.545 0.685 -0.002 -0.029 -0.111 89  SER HHH HB3  
1264 N N    . ARG A 84  ? 0.368 0.491 0.703 -0.022 -0.020 -0.127 90  ARG HHH N    
1265 C CA   . ARG A 84  ? 0.368 0.488 0.740 -0.033 -0.008 -0.131 90  ARG HHH CA   
1266 C C    . ARG A 84  ? 0.375 0.474 0.715 -0.036 -0.002 -0.113 90  ARG HHH C    
1267 O O    . ARG A 84  ? 0.423 0.506 0.771 -0.045 0.018  -0.101 90  ARG HHH O    
1268 C CB   . ARG A 84  ? 0.389 0.508 0.797 -0.043 0.014  -0.129 90  ARG HHH CB   
1269 C CG   . ARG A 84  ? 0.409 0.552 0.851 -0.039 0.006  -0.149 90  ARG HHH CG   
1270 C CD   . ARG A 84  ? 0.473 0.620 0.969 -0.051 0.028  -0.154 90  ARG HHH CD   
1271 N NE   . ARG A 84  ? 0.524 0.658 1.001 -0.054 0.050  -0.133 90  ARG HHH NE   
1272 C CZ   . ARG A 84  ? 0.587 0.726 1.041 -0.047 0.046  -0.129 90  ARG HHH CZ   
1273 N NH1  . ARG A 84  ? 0.611 0.766 1.055 -0.036 0.022  -0.142 90  ARG HHH NH1  
1274 N NH2  . ARG A 84  ? 0.650 0.776 1.088 -0.051 0.067  -0.111 90  ARG HHH NH2  
1275 H H    . ARG A 84  ? 0.366 0.500 0.705 -0.015 -0.034 -0.140 90  ARG HHH H    
1276 H HA   . ARG A 84  ? 0.373 0.504 0.768 -0.030 -0.019 -0.148 90  ARG HHH HA   
1277 H HB2  . ARG A 84  ? 0.392 0.499 0.775 -0.045 0.025  -0.112 90  ARG HHH HB2  
1278 H HB3  . ARG A 84  ? 0.394 0.509 0.828 -0.050 0.023  -0.131 90  ARG HHH HB3  
1279 H HG2  . ARG A 84  ? 0.416 0.570 0.871 -0.034 -0.009 -0.166 90  ARG HHH HG2  
1280 H HG3  . ARG A 84  ? 0.416 0.559 0.832 -0.033 0.002  -0.143 90  ARG HHH HG3  
1281 H HD2  . ARG A 84  ? 0.473 0.613 0.990 -0.058 0.037  -0.155 90  ARG HHH HD2  
1282 H HD3  . ARG A 84  ? 0.467 0.632 0.993 -0.048 0.020  -0.172 90  ARG HHH HD3  
1283 H HE   . ARG A 84  ? 0.539 0.661 1.021 -0.061 0.067  -0.123 90  ARG HHH HE   
1284 H HH11 . ARG A 84  ? 0.594 0.757 1.045 -0.032 0.008  -0.154 90  ARG HHH HH11 
1285 H HH12 . ARG A 84  ? 0.596 0.754 1.025 -0.031 0.020  -0.138 90  ARG HHH HH12 
1286 H HH21 . ARG A 84  ? 0.634 0.748 1.076 -0.057 0.083  -0.101 90  ARG HHH HH21 
1287 H HH22 . ARG A 84  ? 0.625 0.754 1.048 -0.046 0.064  -0.108 90  ARG HHH HH22 
1288 N N    . LEU A 85  ? 0.337 0.434 0.642 -0.028 -0.017 -0.112 91  LEU HHH N    
1289 C CA   . LEU A 85  ? 0.345 0.425 0.620 -0.029 -0.014 -0.097 91  LEU HHH CA   
1290 C C    . LEU A 85  ? 0.349 0.424 0.653 -0.036 -0.009 -0.103 91  LEU HHH C    
1291 O O    . LEU A 85  ? 0.328 0.417 0.670 -0.035 -0.016 -0.124 91  LEU HHH O    
1292 C CB   . LEU A 85  ? 0.340 0.423 0.580 -0.017 -0.031 -0.098 91  LEU HHH CB   
1293 C CG   . LEU A 85  ? 0.344 0.427 0.553 -0.011 -0.035 -0.089 91  LEU HHH CG   
1294 C CD1  . LEU A 85  ? 0.365 0.450 0.544 0.002  -0.050 -0.093 91  LEU HHH CD1  
1295 C CD2  . LEU A 85  ? 0.374 0.441 0.558 -0.016 -0.022 -0.068 91  LEU HHH CD2  
1296 H H    . LEU A 85  ? 0.346 0.452 0.647 -0.020 -0.030 -0.121 91  LEU HHH H    
1297 H HA   . LEU A 85  ? 0.344 0.413 0.603 -0.032 -0.004 -0.082 91  LEU HHH HA   
1298 H HB2  . LEU A 85  ? 0.345 0.437 0.598 -0.012 -0.042 -0.113 91  LEU HHH HB2  
1299 H HB3  . LEU A 85  ? 0.343 0.417 0.568 -0.018 -0.029 -0.090 91  LEU HHH HB3  
1300 H HG   . LEU A 85  ? 0.352 0.442 0.576 -0.011 -0.035 -0.096 91  LEU HHH HG   
1301 H HD11 . LEU A 85  ? 0.364 0.458 0.556 0.007  -0.059 -0.108 91  LEU HHH HD11 
1302 H HD12 . LEU A 85  ? 0.360 0.443 0.520 0.005  -0.050 -0.087 91  LEU HHH HD12 
1303 H HD13 . LEU A 85  ? 0.361 0.438 0.526 0.001  -0.049 -0.088 91  LEU HHH HD13 
1304 H HD21 . LEU A 85  ? 0.364 0.424 0.540 -0.018 -0.020 -0.063 91  LEU HHH HD21 
1305 H HD22 . LEU A 85  ? 0.363 0.429 0.526 -0.012 -0.025 -0.063 91  LEU HHH HD22 
1306 H HD23 . LEU A 85  ? 0.364 0.430 0.562 -0.022 -0.012 -0.065 91  LEU HHH HD23 
1307 N N    . THR A 86  ? 0.337 0.394 0.625 -0.040 0.003  -0.086 92  THR HHH N    
1308 C CA   . THR A 86  ? 0.358 0.405 0.660 -0.045 0.007  -0.088 92  THR HHH CA   
1309 C C    . THR A 86  ? 0.367 0.402 0.627 -0.040 0.003  -0.074 92  THR HHH C    
1310 O O    . THR A 86  ? 0.336 0.370 0.563 -0.036 0.001  -0.062 92  THR HHH O    
1311 C CB   . THR A 86  ? 0.379 0.412 0.708 -0.055 0.029  -0.081 92  THR HHH CB   
1312 O OG1  . THR A 86  ? 0.362 0.377 0.654 -0.054 0.041  -0.058 92  THR HHH OG1  
1313 C CG2  . THR A 86  ? 0.370 0.414 0.740 -0.060 0.038  -0.091 92  THR HHH CG2  
1314 H H    . THR A 86  ? 0.345 0.393 0.611 -0.041 0.009  -0.073 92  THR HHH H    
1315 H HA   . THR A 86  ? 0.358 0.415 0.679 -0.043 -0.003 -0.104 92  THR HHH HA   
1316 H HB   . THR A 86  ? 0.375 0.404 0.719 -0.057 0.031  -0.085 92  THR HHH HB   
1318 H HG21 . THR A 86  ? 0.368 0.428 0.761 -0.059 0.027  -0.109 92  THR HHH HG21 
1319 H HG22 . THR A 86  ? 0.383 0.416 0.773 -0.067 0.054  -0.087 92  THR HHH HG22 
1320 H HG23 . THR A 86  ? 0.371 0.417 0.725 -0.058 0.040  -0.084 92  THR HHH HG23 
1321 N N    . SER A 87  ? 0.388 0.415 0.652 -0.041 0.003  -0.075 93  SER HHH N    
1322 C CA   . SER A 87  ? 0.405 0.421 0.635 -0.037 0.001  -0.063 93  SER HHH CA   
1323 C C    . SER A 87  ? 0.392 0.393 0.598 -0.039 0.013  -0.042 93  SER HHH C    
1324 O O    . SER A 87  ? 0.401 0.397 0.577 -0.034 0.009  -0.033 93  SER HHH O    
1325 C CB   . SER A 87  ? 0.426 0.437 0.672 -0.039 -0.000 -0.070 93  SER HHH CB   
1326 O OG   . SER A 87  ? 0.402 0.402 0.678 -0.047 0.015  -0.069 93  SER HHH OG   
1327 H H    . SER A 87  ? 0.391 0.420 0.681 -0.044 0.004  -0.085 93  SER HHH H    
1328 H HA   . SER A 87  ? 0.395 0.419 0.608 -0.032 -0.010 -0.065 93  SER HHH HA   
1329 H HB2  . SER A 87  ? 0.416 0.419 0.641 -0.036 -0.001 -0.062 93  SER HHH HB2  
1330 H HB3  . SER A 87  ? 0.412 0.434 0.668 -0.035 -0.011 -0.084 93  SER HHH HB3  
1332 N N    . ASP A 88  ? 0.434 0.427 0.652 -0.044 0.028  -0.036 94  ASP HHH N    
1333 C CA   . ASP A 88  ? 0.457 0.434 0.647 -0.042 0.040  -0.017 94  ASP HHH CA   
1334 C C    . ASP A 88  ? 0.441 0.428 0.604 -0.037 0.030  -0.014 94  ASP HHH C    
1335 O O    . ASP A 88  ? 0.414 0.390 0.549 -0.033 0.034  -0.001 94  ASP HHH O    
1336 C CB   . ASP A 88  ? 0.499 0.467 0.707 -0.047 0.059  -0.012 94  ASP HHH CB   
1337 C CG   . ASP A 88  ? 0.542 0.494 0.775 -0.052 0.075  -0.011 94  ASP HHH CG   
1338 O OD1  . ASP A 88  ? 0.578 0.518 0.798 -0.049 0.073  -0.006 94  ASP HHH OD1  
1339 O OD2  . ASP A 88  ? 0.649 0.600 0.916 -0.059 0.089  -0.016 94  ASP HHH OD2  
1340 H H    . ASP A 88  ? 0.431 0.427 0.675 -0.048 0.033  -0.043 94  ASP HHH H    
1341 H HA   . ASP A 88  ? 0.465 0.431 0.641 -0.040 0.041  -0.010 94  ASP HHH HA   
1342 H HB2  . ASP A 88  ? 0.491 0.472 0.718 -0.049 0.058  -0.021 94  ASP HHH HB2  
1343 H HB3  . ASP A 88  ? 0.504 0.464 0.690 -0.044 0.065  -0.001 94  ASP HHH HB3  
1344 N N    . ASP A 89  ? 0.406 0.411 0.576 -0.036 0.018  -0.026 95  ASP HHH N    
1345 C CA   . ASP A 89  ? 0.405 0.417 0.551 -0.031 0.011  -0.023 95  ASP HHH CA   
1346 C C    . ASP A 89  ? 0.375 0.389 0.498 -0.026 -0.001 -0.023 95  ASP HHH C    
1347 O O    . ASP A 89  ? 0.388 0.406 0.493 -0.022 -0.007 -0.021 95  ASP HHH O    
1348 C CB   . ASP A 89  ? 0.394 0.421 0.558 -0.030 0.006  -0.035 95  ASP HHH CB   
1349 C CG   . ASP A 89  ? 0.398 0.424 0.587 -0.036 0.020  -0.035 95  ASP HHH CG   
1350 O OD1  . ASP A 89  ? 0.386 0.399 0.560 -0.037 0.032  -0.021 95  ASP HHH OD1  
1351 O OD2  . ASP A 89  ? 0.387 0.425 0.610 -0.038 0.018  -0.050 95  ASP HHH OD2  
1352 H H    . ASP A 89  ? 0.410 0.423 0.599 -0.036 0.014  -0.037 95  ASP HHH H    
1353 H HA   . ASP A 89  ? 0.403 0.406 0.536 -0.031 0.017  -0.014 95  ASP HHH HA   
1354 H HB2  . ASP A 89  ? 0.393 0.427 0.570 -0.029 -0.001 -0.046 95  ASP HHH HB2  
1355 H HB3  . ASP A 89  ? 0.391 0.421 0.539 -0.027 0.001  -0.033 95  ASP HHH HB3  
1356 N N    . THR A 90  ? 0.374 0.385 0.501 -0.026 -0.004 -0.026 96  THR HHH N    
1357 C CA   . THR A 90  ? 0.362 0.374 0.469 -0.021 -0.012 -0.025 96  THR HHH CA   
1358 C C    . THR A 90  ? 0.370 0.374 0.456 -0.020 -0.009 -0.013 96  THR HHH C    
1359 O O    . THR A 90  ? 0.357 0.350 0.441 -0.021 -0.003 -0.005 96  THR HHH O    
1360 C CB   . THR A 90  ? 0.350 0.362 0.467 -0.020 -0.015 -0.031 96  THR HHH CB   
1361 O OG1  . THR A 90  ? 0.354 0.376 0.489 -0.019 -0.022 -0.046 96  THR HHH OG1  
1362 C CG2  . THR A 90  ? 0.348 0.359 0.446 -0.016 -0.020 -0.028 96  THR HHH CG2  
1363 H H    . THR A 90  ? 0.377 0.384 0.518 -0.028 -0.000 -0.028 96  THR HHH H    
1364 H HA   . THR A 90  ? 0.359 0.379 0.463 -0.018 -0.018 -0.030 96  THR HHH HA   
1365 H HB   . THR A 90  ? 0.358 0.362 0.483 -0.023 -0.009 -0.028 96  THR HHH HB   
1367 H HG21 . THR A 90  ? 0.350 0.354 0.441 -0.017 -0.016 -0.021 96  THR HHH HG21 
1368 H HG22 . THR A 90  ? 0.350 0.363 0.454 -0.014 -0.023 -0.035 96  THR HHH HG22 
1369 H HG23 . THR A 90  ? 0.346 0.361 0.433 -0.013 -0.023 -0.028 96  THR HHH HG23 
1370 N N    . ALA A 91  ? 0.342 0.350 0.412 -0.017 -0.014 -0.011 97  ALA HHH N    
1371 C CA   . ALA A 91  ? 0.349 0.352 0.403 -0.016 -0.013 -0.002 97  ALA HHH CA   
1372 C C    . ALA A 91  ? 0.338 0.345 0.380 -0.013 -0.017 -0.002 97  ALA HHH C    
1373 O O    . ALA A 91  ? 0.344 0.358 0.386 -0.011 -0.019 -0.008 97  ALA HHH O    
1374 C CB   . ALA A 91  ? 0.343 0.340 0.393 -0.017 -0.007 0.004  97  ALA HHH CB   
1375 H H    . ALA A 91  ? 0.347 0.361 0.415 -0.015 -0.018 -0.015 97  ALA HHH H    
1376 H HA   . ALA A 91  ? 0.347 0.345 0.398 -0.016 -0.012 0.000  97  ALA HHH HA   
1377 H HB1  . ALA A 91  ? 0.347 0.342 0.386 -0.015 -0.008 0.007  97  ALA HHH HB1  
1378 H HB2  . ALA A 91  ? 0.352 0.344 0.407 -0.018 -0.002 0.006  97  ALA HHH HB2  
1379 H HB3  . ALA A 91  ? 0.344 0.346 0.400 -0.018 -0.007 0.001  97  ALA HHH HB3  
1380 N N    . LEU A 92  ? 0.362 0.366 0.395 -0.013 -0.017 0.002  98  LEU HHH N    
1381 C CA   . LEU A 92  ? 0.381 0.386 0.406 -0.012 -0.018 0.004  98  LEU HHH CA   
1382 C C    . LEU A 92  ? 0.372 0.376 0.393 -0.012 -0.017 0.006  98  LEU HHH C    
1383 O O    . LEU A 92  ? 0.373 0.371 0.390 -0.012 -0.016 0.009  98  LEU HHH O    
1384 C CB   . LEU A 92  ? 0.402 0.406 0.428 -0.012 -0.019 0.005  98  LEU HHH CB   
1385 C CG   . LEU A 92  ? 0.450 0.455 0.475 -0.012 -0.017 0.005  98  LEU HHH CG   
1386 C CD1  . LEU A 92  ? 0.444 0.450 0.464 -0.010 -0.014 0.004  98  LEU HHH CD1  
1387 C CD2  . LEU A 92  ? 0.445 0.451 0.477 -0.012 -0.018 0.003  98  LEU HHH CD2  
1388 H H    . LEU A 92  ? 0.363 0.363 0.396 -0.013 -0.016 0.005  98  LEU HHH H    
1389 H HA   . LEU A 92  ? 0.379 0.387 0.403 -0.011 -0.018 0.001  98  LEU HHH HA   
1390 H HB2  . LEU A 92  ? 0.407 0.412 0.437 -0.012 -0.019 0.003  98  LEU HHH HB2  
1391 H HB3  . LEU A 92  ? 0.410 0.410 0.434 -0.011 -0.020 0.006  98  LEU HHH HB3  
1392 H HG   . LEU A 92  ? 0.439 0.442 0.460 -0.012 -0.018 0.006  98  LEU HHH HG   
1393 H HD11 . LEU A 92  ? 0.448 0.453 0.462 -0.009 -0.014 0.004  98  LEU HHH HD11 
1394 H HD12 . LEU A 92  ? 0.449 0.454 0.470 -0.011 -0.011 0.005  98  LEU HHH HD12 
1395 H HD13 . LEU A 92  ? 0.447 0.455 0.469 -0.009 -0.014 0.002  98  LEU HHH HD13 
1396 H HD21 . LEU A 92  ? 0.446 0.454 0.482 -0.012 -0.018 0.001  98  LEU HHH HD21 
1397 H HD22 . LEU A 92  ? 0.447 0.454 0.483 -0.013 -0.016 0.002  98  LEU HHH HD22 
1398 H HD23 . LEU A 92  ? 0.448 0.452 0.480 -0.011 -0.022 0.003  98  LEU HHH HD23 
1399 N N    . TYR A 93  ? 0.349 0.355 0.366 -0.011 -0.017 0.005  99  TYR HHH N    
1400 C CA   . TYR A 93  ? 0.354 0.360 0.367 -0.010 -0.017 0.006  99  TYR HHH CA   
1401 C C    . TYR A 93  ? 0.353 0.355 0.357 -0.009 -0.017 0.008  99  TYR HHH C    
1402 O O    . TYR A 93  ? 0.393 0.394 0.394 -0.007 -0.017 0.008  99  TYR HHH O    
1403 C CB   . TYR A 93  ? 0.340 0.351 0.357 -0.008 -0.018 0.001  99  TYR HHH CB   
1404 C CG   . TYR A 93  ? 0.355 0.371 0.387 -0.010 -0.016 -0.002 99  TYR HHH CG   
1405 C CD1  . TYR A 93  ? 0.360 0.377 0.401 -0.011 -0.017 -0.007 99  TYR HHH CD1  
1406 C CD2  . TYR A 93  ? 0.367 0.383 0.406 -0.012 -0.012 -0.002 99  TYR HHH CD2  
1407 C CE1  . TYR A 93  ? 0.380 0.400 0.439 -0.014 -0.015 -0.011 99  TYR HHH CE1  
1408 C CE2  . TYR A 93  ? 0.407 0.425 0.465 -0.015 -0.007 -0.005 99  TYR HHH CE2  
1409 C CZ   . TYR A 93  ? 0.382 0.401 0.450 -0.016 -0.008 -0.009 99  TYR HHH CZ   
1410 O OH   . TYR A 93  ? 0.378 0.397 0.467 -0.020 -0.002 -0.013 99  TYR HHH OH   
1411 H H    . TYR A 93  ? 0.356 0.364 0.372 -0.009 -0.018 0.003  99  TYR HHH H    
1412 H HA   . TYR A 93  ? 0.351 0.355 0.365 -0.011 -0.015 0.008  99  TYR HHH HA   
1413 H HB2  . TYR A 93  ? 0.348 0.361 0.363 -0.005 -0.020 -0.001 99  TYR HHH HB2  
1414 H HB3  . TYR A 93  ? 0.348 0.359 0.362 -0.007 -0.018 0.002  99  TYR HHH HB3  
1415 H HD1  . TYR A 93  ? 0.364 0.382 0.400 -0.009 -0.020 -0.007 99  TYR HHH HD1  
1416 H HD2  . TYR A 93  ? 0.374 0.389 0.407 -0.011 -0.011 0.001  99  TYR HHH HD2  
1417 H HE1  . TYR A 93  ? 0.375 0.395 0.440 -0.014 -0.016 -0.014 99  TYR HHH HE1  
1418 H HE2  . TYR A 93  ? 0.392 0.409 0.455 -0.016 -0.001 -0.004 99  TYR HHH HE2  
1420 N N    . TYR A 94  ? 0.351 0.349 0.353 -0.009 -0.018 0.010  100 TYR HHH N    
1421 C CA   . TYR A 94  ? 0.363 0.358 0.362 -0.009 -0.019 0.010  100 TYR HHH CA   
1422 C C    . TYR A 94  ? 0.372 0.366 0.366 -0.007 -0.019 0.011  100 TYR HHH C    
1423 O O    . TYR A 94  ? 0.379 0.373 0.370 -0.005 -0.018 0.012  100 TYR HHH O    
1424 C CB   . TYR A 94  ? 0.367 0.360 0.368 -0.008 -0.023 0.009  100 TYR HHH CB   
1425 C CG   . TYR A 94  ? 0.378 0.372 0.386 -0.009 -0.024 0.007  100 TYR HHH CG   
1426 C CD1  . TYR A 94  ? 0.385 0.382 0.404 -0.011 -0.023 0.005  100 TYR HHH CD1  
1427 C CD2  . TYR A 94  ? 0.404 0.397 0.410 -0.006 -0.026 0.008  100 TYR HHH CD2  
1428 C CE1  . TYR A 94  ? 0.404 0.404 0.432 -0.012 -0.024 0.002  100 TYR HHH CE1  
1429 C CE2  . TYR A 94  ? 0.457 0.452 0.470 -0.006 -0.028 0.005  100 TYR HHH CE2  
1430 C CZ   . TYR A 94  ? 0.444 0.444 0.469 -0.009 -0.028 0.002  100 TYR HHH CZ   
1431 O OH   . TYR A 94  ? 0.511 0.514 0.546 -0.008 -0.030 -0.002 100 TYR HHH OH   
1432 H H    . TYR A 94  ? 0.355 0.352 0.358 -0.009 -0.018 0.011  100 TYR HHH H    
1433 H HA   . TYR A 94  ? 0.363 0.357 0.364 -0.010 -0.018 0.010  100 TYR HHH HA   
1434 H HB2  . TYR A 94  ? 0.373 0.365 0.369 -0.006 -0.023 0.010  100 TYR HHH HB2  
1435 H HB3  . TYR A 94  ? 0.372 0.363 0.373 -0.008 -0.024 0.007  100 TYR HHH HB3  
1436 H HD1  . TYR A 94  ? 0.391 0.387 0.411 -0.013 -0.020 0.005  100 TYR HHH HD1  
1437 H HD2  . TYR A 94  ? 0.414 0.405 0.414 -0.005 -0.025 0.010  100 TYR HHH HD2  
1438 H HE1  . TYR A 94  ? 0.408 0.409 0.445 -0.014 -0.022 -0.000 100 TYR HHH HE1  
1439 H HE2  . TYR A 94  ? 0.442 0.435 0.453 -0.004 -0.029 0.006  100 TYR HHH HE2  
1441 N N    . CYS A 95  ? 0.378 0.368 0.369 -0.006 -0.018 0.011  101 CYS HHH N    
1442 C CA   . CYS A 95  ? 0.389 0.376 0.375 -0.004 -0.020 0.010  101 CYS HHH CA   
1443 C C    . CYS A 95  ? 0.381 0.364 0.371 -0.005 -0.023 0.007  101 CYS HHH C    
1444 O O    . CYS A 95  ? 0.404 0.387 0.404 -0.008 -0.022 0.006  101 CYS HHH O    
1445 C CB   . CYS A 95  ? 0.441 0.425 0.422 -0.002 -0.018 0.011  101 CYS HHH CB   
1446 S SG   . CYS A 95  ? 0.513 0.488 0.495 -0.003 -0.013 0.013  101 CYS HHH SG   
1447 H H    . CYS A 95  ? 0.380 0.369 0.372 -0.007 -0.017 0.011  101 CYS HHH H    
1448 H HA   . CYS A 95  ? 0.393 0.382 0.377 -0.003 -0.020 0.010  101 CYS HHH HA   
1449 H HB2  . CYS A 95  ? 0.446 0.428 0.424 0.000  -0.019 0.010  101 CYS HHH HB2  
1450 H HB3  . CYS A 95  ? 0.441 0.429 0.422 -0.000 -0.018 0.011  101 CYS HHH HB3  
1451 N N    . GLY A 96  ? 0.367 0.347 0.353 -0.002 -0.025 0.005  102 GLY HHH N    
1452 C CA   . GLY A 96  ? 0.353 0.331 0.344 -0.001 -0.031 -0.001 102 GLY HHH CA   
1453 C C    . GLY A 96  ? 0.364 0.337 0.350 0.003  -0.033 -0.003 102 GLY HHH C    
1454 O O    . GLY A 96  ? 0.403 0.376 0.379 0.005  -0.030 -0.000 102 GLY HHH O    
1455 H H    . GLY A 96  ? 0.368 0.348 0.348 0.000  -0.025 0.006  102 GLY HHH H    
1456 H HA2  . GLY A 96  ? 0.357 0.335 0.359 -0.004 -0.030 -0.003 102 GLY HHH HA2  
1457 H HA3  . GLY A 96  ? 0.360 0.340 0.348 0.002  -0.034 -0.002 102 GLY HHH HA3  
1458 N N    . ARG A 97  ? 0.365 0.336 0.361 0.003  -0.037 -0.010 103 ARG HHH N    
1459 C CA   . ARG A 97  ? 0.376 0.341 0.368 0.006  -0.040 -0.015 103 ARG HHH CA   
1460 C C    . ARG A 97  ? 0.380 0.347 0.368 0.013  -0.050 -0.023 103 ARG HHH C    
1461 O O    . ARG A 97  ? 0.376 0.346 0.377 0.013  -0.056 -0.030 103 ARG HHH O    
1462 C CB   . ARG A 97  ? 0.389 0.348 0.398 0.001  -0.037 -0.017 103 ARG HHH CB   
1463 C CG   . ARG A 97  ? 0.434 0.386 0.441 0.004  -0.038 -0.021 103 ARG HHH CG   
1464 C CD   . ARG A 97  ? 0.417 0.359 0.443 -0.001 -0.034 -0.024 103 ARG HHH CD   
1465 N NE   . ARG A 97  ? 0.448 0.393 0.496 -0.002 -0.041 -0.037 103 ARG HHH NE   
1466 C CZ   . ARG A 97  ? 0.501 0.438 0.573 -0.007 -0.038 -0.044 103 ARG HHH CZ   
1467 N NH1  . ARG A 97  ? 0.495 0.418 0.568 -0.010 -0.025 -0.036 103 ARG HHH NH1  
1468 N NH2  . ARG A 97  ? 0.510 0.451 0.606 -0.008 -0.047 -0.059 103 ARG HHH NH2  
1469 H H    . ARG A 97  ? 0.366 0.338 0.373 0.000  -0.039 -0.014 103 ARG HHH H    
1470 H HA   . ARG A 97  ? 0.376 0.342 0.359 0.008  -0.038 -0.011 103 ARG HHH HA   
1471 H HB2  . ARG A 97  ? 0.392 0.349 0.400 -0.002 -0.030 -0.011 103 ARG HHH HB2  
1472 H HB3  . ARG A 97  ? 0.395 0.355 0.418 -0.001 -0.039 -0.023 103 ARG HHH HB3  
1473 H HG2  . ARG A 97  ? 0.424 0.377 0.427 0.009  -0.045 -0.027 103 ARG HHH HG2  
1474 H HG3  . ARG A 97  ? 0.420 0.370 0.414 0.006  -0.035 -0.016 103 ARG HHH HG3  
1475 H HD2  . ARG A 97  ? 0.436 0.371 0.456 0.002  -0.032 -0.023 103 ARG HHH HD2  
1476 H HD3  . ARG A 97  ? 0.428 0.367 0.456 -0.005 -0.026 -0.018 103 ARG HHH HD3  
1477 H HE   . ARG A 97  ? 0.452 0.403 0.497 0.001  -0.048 -0.041 103 ARG HHH HE   
1478 H HH11 . ARG A 97  ? 0.497 0.417 0.553 -0.009 -0.021 -0.027 103 ARG HHH HH11 
1479 H HH12 . ARG A 97  ? 0.505 0.421 0.595 -0.014 -0.022 -0.040 103 ARG HHH HH12 
1480 H HH21 . ARG A 97  ? 0.504 0.453 0.596 -0.004 -0.055 -0.064 103 ARG HHH HH21 
1481 H HH22 . ARG A 97  ? 0.511 0.447 0.627 -0.012 -0.044 -0.064 103 ARG HHH HH22 
1482 N N    . SER A 98  ? 0.388 0.353 0.359 0.021  -0.052 -0.023 104 SER HHH N    
1483 C CA   . SER A 98  ? 0.411 0.375 0.371 0.031  -0.062 -0.032 104 SER HHH CA   
1484 C C    . SER A 98  ? 0.435 0.395 0.400 0.034  -0.067 -0.041 104 SER HHH C    
1485 O O    . SER A 98  ? 0.423 0.381 0.409 0.026  -0.065 -0.043 104 SER HHH O    
1486 C CB   . SER A 98  ? 0.422 0.384 0.357 0.039  -0.058 -0.025 104 SER HHH CB   
1487 O OG   . SER A 98  ? 0.413 0.375 0.341 0.038  -0.049 -0.018 104 SER HHH OG   
1488 H H    . SER A 98  ? 0.389 0.353 0.353 0.021  -0.047 -0.019 104 SER HHH H    
1489 H HA   . SER A 98  ? 0.414 0.380 0.382 0.032  -0.068 -0.037 104 SER HHH HA   
1490 H HB2  . SER A 98  ? 0.433 0.393 0.357 0.048  -0.064 -0.030 104 SER HHH HB2  
1491 H HB3  . SER A 98  ? 0.415 0.379 0.350 0.037  -0.055 -0.020 104 SER HHH HB3  
1493 N N    . GLY A 99  ? 0.467 0.424 0.413 0.045  -0.072 -0.045 105 GLY HHH N    
1494 C CA   . GLY A 99  ? 0.458 0.411 0.409 0.050  -0.080 -0.057 105 GLY HHH CA   
1495 C C    . GLY A 99  ? 0.455 0.403 0.409 0.044  -0.071 -0.051 105 GLY HHH C    
1496 O O    . GLY A 99  ? 0.452 0.402 0.402 0.039  -0.061 -0.039 105 GLY HHH O    
1497 H H    . GLY A 99  ? 0.465 0.421 0.394 0.052  -0.071 -0.042 105 GLY HHH H    
1498 H HA2  . GLY A 99  ? 0.463 0.416 0.432 0.047  -0.085 -0.065 105 GLY HHH HA2  
1499 H HA3  . GLY A 99  ? 0.476 0.427 0.411 0.060  -0.085 -0.060 105 GLY HHH HA3  
1500 N N    . ARG A 100 ? 0.477 0.420 0.438 0.047  -0.076 -0.061 106 ARG HHH N    
1501 C CA   . ARG A 100 ? 0.496 0.433 0.457 0.045  -0.070 -0.056 106 ARG HHH CA   
1502 C C    . ARG A 100 ? 0.490 0.430 0.426 0.053  -0.066 -0.050 106 ARG HHH C    
1503 O O    . ARG A 100 ? 0.472 0.414 0.390 0.062  -0.069 -0.052 106 ARG HHH O    
1504 C CB   . ARG A 100 ? 0.537 0.467 0.511 0.047  -0.077 -0.070 106 ARG HHH CB   
1505 C CG   . ARG A 100 ? 0.575 0.501 0.581 0.037  -0.078 -0.076 106 ARG HHH CG   
1506 C CD   . ARG A 100 ? 0.633 0.548 0.655 0.036  -0.079 -0.085 106 ARG HHH CD   
1507 N NE   . ARG A 100 ? 0.698 0.612 0.754 0.029  -0.082 -0.096 106 ARG HHH NE   
1508 C CZ   . ARG A 100 ? 0.739 0.643 0.821 0.018  -0.071 -0.093 106 ARG HHH CZ   
1509 N NH1  . ARG A 100 ? 0.753 0.646 0.824 0.015  -0.058 -0.078 106 ARG HHH NH1  
1510 N NH2  . ARG A 100 ? 0.728 0.633 0.845 0.011  -0.073 -0.104 106 ARG HHH NH2  
1511 H H    . ARG A 100 ? 0.486 0.429 0.454 0.050  -0.085 -0.071 106 ARG HHH H    
1512 H HA   . ARG A 100 ? 0.487 0.423 0.455 0.038  -0.063 -0.049 106 ARG HHH HA   
1513 H HB2  . ARG A 100 ? 0.549 0.480 0.515 0.055  -0.085 -0.078 106 ARG HHH HB2  
1514 H HB3  . ARG A 100 ? 0.541 0.466 0.512 0.047  -0.073 -0.066 106 ARG HHH HB3  
1515 H HG2  . ARG A 100 ? 0.566 0.492 0.576 0.030  -0.070 -0.067 106 ARG HHH HG2  
1516 H HG3  . ARG A 100 ? 0.578 0.509 0.589 0.039  -0.086 -0.084 106 ARG HHH HG3  
1517 H HD2  . ARG A 100 ? 0.645 0.560 0.658 0.044  -0.087 -0.092 106 ARG HHH HD2  
1518 H HD3  . ARG A 100 ? 0.635 0.543 0.655 0.033  -0.071 -0.076 106 ARG HHH HD3  
1519 H HE   . ARG A 100 ? 0.696 0.616 0.758 0.032  -0.091 -0.106 106 ARG HHH HE   
1520 H HH11 . ARG A 100 ? 0.743 0.637 0.794 0.020  -0.057 -0.072 106 ARG HHH HH11 
1521 H HH12 . ARG A 100 ? 0.748 0.632 0.833 0.009  -0.049 -0.075 106 ARG HHH HH12 
1522 H HH21 . ARG A 100 ? 0.731 0.644 0.855 0.014  -0.083 -0.116 106 ARG HHH HH21 
1523 H HH22 . ARG A 100 ? 0.732 0.629 0.867 0.003  -0.063 -0.102 106 ARG HHH HH22 
1524 N N    . THR A 101 ? 0.486 0.424 0.421 0.050  -0.058 -0.043 107 THR HHH N    
1525 C CA   . THR A 101 ? 0.513 0.456 0.432 0.056  -0.052 -0.037 107 THR HHH CA   
1526 C C    . THR A 101 ? 0.550 0.489 0.457 0.067  -0.057 -0.046 107 THR HHH C    
1527 O O    . THR A 101 ? 0.580 0.523 0.473 0.073  -0.051 -0.042 107 THR HHH O    
1528 C CB   . THR A 101 ? 0.516 0.460 0.441 0.052  -0.045 -0.030 107 THR HHH CB   
1529 O OG1  . THR A 101 ? 0.533 0.467 0.466 0.051  -0.048 -0.034 107 THR HHH OG1  
1530 C CG2  . THR A 101 ? 0.480 0.428 0.412 0.044  -0.040 -0.022 107 THR HHH CG2  
1531 H H    . THR A 101 ? 0.488 0.423 0.433 0.045  -0.055 -0.041 107 THR HHH H    
1532 H HA   . THR A 101 ? 0.511 0.459 0.424 0.057  -0.049 -0.033 107 THR HHH HA   
1533 H HB   . THR A 101 ? 0.513 0.461 0.431 0.056  -0.041 -0.029 107 THR HHH HB   
1535 H HG21 . THR A 101 ? 0.483 0.437 0.412 0.044  -0.038 -0.020 107 THR HHH HG21 
1536 H HG22 . THR A 101 ? 0.483 0.433 0.416 0.043  -0.037 -0.019 107 THR HHH HG22 
1537 H HG23 . THR A 101 ? 0.485 0.429 0.425 0.039  -0.042 -0.023 107 THR HHH HG23 
1538 N N    . ASP A 102 ? 0.531 0.464 0.445 0.069  -0.066 -0.057 108 ASP HHH N    
1539 C CA   . ASP A 102 ? 0.572 0.500 0.473 0.082  -0.073 -0.068 108 ASP HHH CA   
1540 C C    . ASP A 102 ? 0.553 0.482 0.447 0.090  -0.085 -0.079 108 ASP HHH C    
1541 O O    . ASP A 102 ? 0.567 0.492 0.453 0.101  -0.094 -0.091 108 ASP HHH O    
1542 C CB   . ASP A 102 ? 0.610 0.530 0.525 0.080  -0.076 -0.075 108 ASP HHH CB   
1543 C CG   . ASP A 102 ? 0.628 0.541 0.568 0.073  -0.084 -0.084 108 ASP HHH CG   
1544 O OD1  . ASP A 102 ? 0.647 0.564 0.596 0.069  -0.087 -0.086 108 ASP HHH OD1  
1545 O OD2  . ASP A 102 ? 0.706 0.610 0.658 0.072  -0.085 -0.090 108 ASP HHH OD2  
1546 H H    . ASP A 102 ? 0.539 0.469 0.467 0.064  -0.069 -0.060 108 ASP HHH H    
1547 H HA   . ASP A 102 ? 0.571 0.502 0.458 0.087  -0.068 -0.063 108 ASP HHH HA   
1548 H HB2  . ASP A 102 ? 0.618 0.536 0.523 0.089  -0.080 -0.081 108 ASP HHH HB2  
1549 H HB3  . ASP A 102 ? 0.598 0.518 0.516 0.076  -0.070 -0.067 108 ASP HHH HB3  
1550 N N    . ALA A 103 ? 0.526 0.458 0.422 0.087  -0.086 -0.076 109 ALA HHH N    
1551 C CA   . ALA A 103 ? 0.572 0.505 0.464 0.096  -0.099 -0.088 109 ALA HHH CA   
1552 C C    . ALA A 103 ? 0.554 0.487 0.414 0.107  -0.095 -0.080 109 ALA HHH C    
1553 O O    . ALA A 103 ? 0.544 0.479 0.396 0.103  -0.081 -0.066 109 ALA HHH O    
1554 C CB   . ALA A 103 ? 0.560 0.496 0.481 0.085  -0.104 -0.092 109 ALA HHH CB   
1555 H H    . ALA A 103 ? 0.526 0.462 0.426 0.080  -0.079 -0.067 109 ALA HHH H    
1556 H HA   . ALA A 103 ? 0.574 0.503 0.463 0.103  -0.108 -0.099 109 ALA HHH HA   
1557 H HB1  . ALA A 103 ? 0.570 0.507 0.487 0.092  -0.114 -0.101 109 ALA HHH HB1  
1558 H HB2  . ALA A 103 ? 0.557 0.490 0.497 0.079  -0.106 -0.098 109 ALA HHH HB2  
1559 H HB3  . ALA A 103 ? 0.547 0.485 0.469 0.077  -0.096 -0.082 109 ALA HHH HB3  
1560 N N    . ARG A 104 ? 0.578 0.509 0.424 0.121  -0.108 -0.091 110 ARG HHH N    
1561 C CA   . ARG A 104 ? 0.595 0.523 0.410 0.133  -0.105 -0.084 110 ARG HHH CA   
1562 C C    . ARG A 104 ? 0.577 0.509 0.403 0.120  -0.095 -0.070 110 ARG HHH C    
1563 O O    . ARG A 104 ? 0.563 0.502 0.422 0.104  -0.097 -0.071 110 ARG HHH O    
1564 C CB   . ARG A 104 ? 0.619 0.545 0.424 0.150  -0.125 -0.101 110 ARG HHH CB   
1565 C CG   . ARG A 104 ? 0.650 0.568 0.416 0.167  -0.124 -0.095 110 ARG HHH CG   
1566 C CD   . ARG A 104 ? 0.683 0.599 0.435 0.188  -0.147 -0.115 110 ARG HHH CD   
1567 N NE   . ARG A 104 ? 0.724 0.628 0.429 0.210  -0.145 -0.108 110 ARG HHH NE   
1568 C CZ   . ARG A 104 ? 0.752 0.651 0.433 0.234  -0.164 -0.123 110 ARG HHH CZ   
1569 N NH1  . ARG A 104 ? 0.756 0.663 0.461 0.238  -0.188 -0.148 110 ARG HHH NH1  
1570 N NH2  . ARG A 104 ? 0.804 0.689 0.437 0.256  -0.160 -0.115 110 ARG HHH NH2  
1571 H H    . ARG A 104 ? 0.584 0.515 0.439 0.124  -0.120 -0.104 110 ARG HHH H    
1572 H HA   . ARG A 104 ? 0.607 0.531 0.401 0.140  -0.097 -0.078 110 ARG HHH HA   
1573 H HB2  . ARG A 104 ? 0.634 0.558 0.433 0.159  -0.132 -0.111 110 ARG HHH HB2  
1574 H HB3  . ARG A 104 ? 0.609 0.540 0.438 0.142  -0.133 -0.109 110 ARG HHH HB3  
1575 H HG2  . ARG A 104 ? 0.637 0.558 0.411 0.159  -0.119 -0.087 110 ARG HHH HG2  
1576 H HG3  . ARG A 104 ? 0.661 0.574 0.404 0.174  -0.113 -0.086 110 ARG HHH HG3  
1577 H HD2  . ARG A 104 ? 0.693 0.609 0.445 0.194  -0.154 -0.125 110 ARG HHH HD2  
1578 H HD3  . ARG A 104 ? 0.672 0.595 0.449 0.182  -0.157 -0.123 110 ARG HHH HD3  
1579 H HE   . ARG A 104 ? 0.722 0.621 0.413 0.208  -0.130 -0.093 110 ARG HHH HE   
1580 H HH11 . ARG A 104 ? 0.734 0.649 0.471 0.224  -0.189 -0.154 110 ARG HHH HH11 
1581 H HH12 . ARG A 104 ? 0.779 0.684 0.469 0.255  -0.202 -0.160 110 ARG HHH HH12 
1582 H HH21 . ARG A 104 ? 0.799 0.677 0.417 0.253  -0.143 -0.098 110 ARG HHH HH21 
1583 H HH22 . ARG A 104 ? 0.823 0.704 0.438 0.274  -0.174 -0.125 110 ARG HHH HH22 
1584 N N    . ARG A 105 ? 0.574 0.502 0.376 0.125  -0.083 -0.057 111 ARG HHH N    
1585 C CA   . ARG A 105 ? 0.587 0.519 0.399 0.114  -0.073 -0.044 111 ARG HHH CA   
1586 C C    . ARG A 105 ? 0.580 0.515 0.406 0.113  -0.088 -0.053 111 ARG HHH C    
1587 O O    . ARG A 105 ? 0.613 0.544 0.425 0.128  -0.103 -0.066 111 ARG HHH O    
1588 C CB   . ARG A 105 ? 0.617 0.541 0.401 0.122  -0.058 -0.030 111 ARG HHH CB   
1589 C CG   . ARG A 105 ? 0.669 0.581 0.418 0.142  -0.063 -0.031 111 ARG HHH CG   
1590 C CD   . ARG A 105 ? 0.725 0.626 0.452 0.146  -0.043 -0.014 111 ARG HHH CD   
1591 N NE   . ARG A 105 ? 0.692 0.594 0.418 0.142  -0.024 -0.005 111 ARG HHH NE   
1592 C CZ   . ARG A 105 ? 0.677 0.586 0.427 0.126  -0.009 0.005  111 ARG HHH CZ   
1593 N NH1  . ARG A 105 ? 0.652 0.567 0.424 0.112  -0.009 0.009  111 ARG HHH NH1  
1594 N NH2  . ARG A 105 ? 0.662 0.571 0.412 0.124  0.006  0.010  111 ARG HHH NH2  
1595 H H    . ARG A 105 ? 0.603 0.525 0.381 0.137  -0.079 -0.054 111 ARG HHH H    
1596 H HA   . ARG A 105 ? 0.563 0.500 0.393 0.101  -0.067 -0.040 111 ARG HHH HA   
1597 H HB2  . ARG A 105 ? 0.604 0.530 0.399 0.112  -0.050 -0.022 111 ARG HHH HB2  
1598 H HB3  . ARG A 105 ? 0.624 0.546 0.399 0.124  -0.049 -0.027 111 ARG HHH HB3  
1599 H HG2  . ARG A 105 ? 0.693 0.601 0.426 0.154  -0.069 -0.038 111 ARG HHH HG2  
1600 H HG3  . ARG A 105 ? 0.670 0.585 0.428 0.142  -0.075 -0.038 111 ARG HHH HG3  
1601 H HD2  . ARG A 105 ? 0.734 0.625 0.434 0.161  -0.046 -0.014 111 ARG HHH HD2  
1602 H HD3  . ARG A 105 ? 0.690 0.596 0.433 0.135  -0.040 -0.009 111 ARG HHH HD3  
1603 H HE   . ARG A 105 ? 0.718 0.615 0.428 0.152  -0.024 -0.008 111 ARG HHH HE   
1604 H HH11 . ARG A 105 ? 0.651 0.566 0.424 0.113  -0.018 0.005  111 ARG HHH HH11 
1605 H HH12 . ARG A 105 ? 0.639 0.558 0.426 0.102  0.000  0.014  111 ARG HHH HH12 
1606 H HH21 . ARG A 105 ? 0.684 0.590 0.419 0.134  0.006  0.007  111 ARG HHH HH21 
1607 H HH22 . ARG A 105 ? 0.653 0.569 0.421 0.114  0.015  0.015  111 ARG HHH HH22 
1608 N N    . ALA A 106 ? 0.549 0.490 0.399 0.097  -0.083 -0.047 112 ALA HHH N    
1609 C CA   . ALA A 106 ? 0.555 0.502 0.425 0.093  -0.094 -0.056 112 ALA HHH CA   
1610 C C    . ALA A 106 ? 0.509 0.458 0.385 0.084  -0.084 -0.043 112 ALA HHH C    
1611 O O    . ALA A 106 ? 0.512 0.462 0.389 0.075  -0.070 -0.030 112 ALA HHH O    
1612 C CB   . ALA A 106 ? 0.536 0.488 0.439 0.083  -0.101 -0.067 112 ALA HHH CB   
1613 H H    . ALA A 106 ? 0.540 0.484 0.397 0.088  -0.073 -0.039 112 ALA HHH H    
1614 H HA   . ALA A 106 ? 0.564 0.507 0.420 0.106  -0.104 -0.063 112 ALA HHH HA   
1615 H HB1  . ALA A 106 ? 0.530 0.487 0.451 0.078  -0.106 -0.072 112 ALA HHH HB1  
1616 H HB2  . ALA A 106 ? 0.550 0.500 0.450 0.090  -0.110 -0.077 112 ALA HHH HB2  
1617 H HB3  . ALA A 106 ? 0.524 0.477 0.435 0.073  -0.092 -0.060 112 ALA HHH HB3  
1618 N N    . PRO A 107 ? 0.500 0.451 0.382 0.085  -0.092 -0.047 113 PRO HHH N    
1619 C CA   . PRO A 107 ? 0.486 0.440 0.378 0.075  -0.083 -0.037 113 PRO HHH CA   
1620 C C    . PRO A 107 ? 0.464 0.428 0.391 0.057  -0.080 -0.038 113 PRO HHH C    
1621 O O    . PRO A 107 ? 0.456 0.422 0.399 0.053  -0.084 -0.046 113 PRO HHH O    
1622 C CB   . PRO A 107 ? 0.519 0.472 0.405 0.085  -0.095 -0.043 113 PRO HHH CB   
1623 C CG   . PRO A 107 ? 0.513 0.469 0.404 0.096  -0.113 -0.062 113 PRO HHH CG   
1624 C CD   . PRO A 107 ? 0.527 0.479 0.409 0.098  -0.111 -0.064 113 PRO HHH CD   
1625 H HA   . PRO A 107 ? 0.491 0.442 0.371 0.074  -0.073 -0.026 113 PRO HHH HA   
1626 H HB2  . PRO A 107 ? 0.496 0.455 0.400 0.077  -0.094 -0.043 113 PRO HHH HB2  
1627 H HB3  . PRO A 107 ? 0.525 0.470 0.387 0.094  -0.091 -0.036 113 PRO HHH HB3  
1628 H HG2  . PRO A 107 ? 0.507 0.471 0.425 0.088  -0.118 -0.070 113 PRO HHH HG2  
1629 H HG3  . PRO A 107 ? 0.539 0.491 0.412 0.110  -0.121 -0.066 113 PRO HHH HG3  
1630 H HD2  . PRO A 107 ? 0.516 0.474 0.419 0.093  -0.117 -0.074 113 PRO HHH HD2  
1631 H HD3  . PRO A 107 ? 0.544 0.490 0.402 0.112  -0.115 -0.066 113 PRO HHH HD3  
1632 N N    . VAL A 108 ? 0.449 0.416 0.385 0.047  -0.071 -0.029 114 VAL HHH N    
1633 C CA   . VAL A 108 ? 0.441 0.413 0.403 0.033  -0.066 -0.028 114 VAL HHH CA   
1634 C C    . VAL A 108 ? 0.459 0.436 0.444 0.031  -0.076 -0.040 114 VAL HHH C    
1635 O O    . VAL A 108 ? 0.442 0.422 0.426 0.037  -0.083 -0.044 114 VAL HHH O    
1636 C CB   . VAL A 108 ? 0.441 0.415 0.403 0.026  -0.056 -0.016 114 VAL HHH CB   
1637 C CG1  . VAL A 108 ? 0.449 0.428 0.434 0.014  -0.052 -0.016 114 VAL HHH CG1  
1638 C CG2  . VAL A 108 ? 0.448 0.419 0.396 0.026  -0.046 -0.007 114 VAL HHH CG2  
1639 H H    . VAL A 108 ? 0.456 0.420 0.380 0.050  -0.068 -0.023 114 VAL HHH H    
1640 H HA   . VAL A 108 ? 0.441 0.413 0.406 0.030  -0.064 -0.027 114 VAL HHH HA   
1641 H HB   . VAL A 108 ? 0.449 0.422 0.406 0.030  -0.059 -0.016 114 VAL HHH HB   
1642 H HG11 . VAL A 108 ? 0.442 0.423 0.438 0.014  -0.056 -0.022 114 VAL HHH HG11 
1643 H HG12 . VAL A 108 ? 0.435 0.415 0.419 0.011  -0.046 -0.010 114 VAL HHH HG12 
1644 H HG13 . VAL A 108 ? 0.440 0.417 0.427 0.011  -0.049 -0.016 114 VAL HHH HG13 
1645 H HG21 . VAL A 108 ? 0.444 0.416 0.394 0.024  -0.045 -0.008 114 VAL HHH HG21 
1646 H HG22 . VAL A 108 ? 0.438 0.411 0.390 0.021  -0.041 -0.002 114 VAL HHH HG22 
1647 H HG23 . VAL A 108 ? 0.458 0.425 0.390 0.033  -0.047 -0.006 114 VAL HHH HG23 
1648 N N    . SER A 109 ? 0.442 0.421 0.449 0.025  -0.077 -0.047 115 SER HHH N    
1649 C CA   . SER A 109 ? 0.434 0.418 0.472 0.022  -0.084 -0.061 115 SER HHH CA   
1650 C C    . SER A 109 ? 0.427 0.413 0.489 0.008  -0.072 -0.056 115 SER HHH C    
1651 O O    . SER A 109 ? 0.420 0.413 0.508 0.005  -0.075 -0.065 115 SER HHH O    
1652 C CB   . SER A 109 ? 0.443 0.426 0.493 0.025  -0.093 -0.075 115 SER HHH CB   
1653 O OG   . SER A 109 ? 0.470 0.445 0.511 0.021  -0.084 -0.068 115 SER HHH OG   
1654 H H    . SER A 109 ? 0.441 0.417 0.447 0.022  -0.072 -0.044 115 SER HHH H    
1655 H HA   . SER A 109 ? 0.441 0.429 0.477 0.027  -0.091 -0.066 115 SER HHH HA   
1656 H HB2  . SER A 109 ? 0.448 0.434 0.524 0.020  -0.094 -0.084 115 SER HHH HB2  
1657 H HB3  . SER A 109 ? 0.462 0.444 0.498 0.036  -0.103 -0.081 115 SER HHH HB3  
1659 N N    . TYR A 110 ? 0.430 0.411 0.484 0.002  -0.059 -0.043 116 TYR HHH N    
1660 C CA   . TYR A 110 ? 0.430 0.409 0.498 -0.008 -0.046 -0.037 116 TYR HHH CA   
1661 C C    . TYR A 110 ? 0.420 0.399 0.468 -0.008 -0.039 -0.024 116 TYR HHH C    
1662 O O    . TYR A 110 ? 0.400 0.377 0.428 -0.005 -0.039 -0.018 116 TYR HHH O    
1663 C CB   . TYR A 110 ? 0.465 0.435 0.541 -0.013 -0.037 -0.034 116 TYR HHH CB   
1664 C CG   . TYR A 110 ? 0.572 0.540 0.675 -0.015 -0.041 -0.048 116 TYR HHH CG   
1665 C CD1  . TYR A 110 ? 0.645 0.614 0.745 -0.008 -0.053 -0.058 116 TYR HHH CD1  
1666 C CD2  . TYR A 110 ? 0.599 0.566 0.734 -0.023 -0.032 -0.052 116 TYR HHH CD2  
1667 C CE1  . TYR A 110 ? 0.673 0.641 0.801 -0.010 -0.059 -0.073 116 TYR HHH CE1  
1668 C CE2  . TYR A 110 ? 0.643 0.610 0.811 -0.026 -0.035 -0.066 116 TYR HHH CE2  
1669 C CZ   . TYR A 110 ? 0.635 0.602 0.799 -0.020 -0.050 -0.078 116 TYR HHH CZ   
1670 O OH   . TYR A 110 ? 0.847 0.814 1.046 -0.022 -0.054 -0.095 116 TYR HHH OH   
1671 H H    . TYR A 110 ? 0.431 0.408 0.468 0.004  -0.057 -0.038 116 TYR HHH H    
1672 H HA   . TYR A 110 ? 0.432 0.416 0.518 -0.011 -0.047 -0.042 116 TYR HHH HA   
1673 H HB2  . TYR A 110 ? 0.480 0.447 0.539 -0.010 -0.037 -0.030 116 TYR HHH HB2  
1674 H HB3  . TYR A 110 ? 0.477 0.444 0.555 -0.017 -0.027 -0.028 116 TYR HHH HB3  
1675 H HD1  . TYR A 110 ? 0.633 0.602 0.711 -0.002 -0.057 -0.055 116 TYR HHH HD1  
1676 H HD2  . TYR A 110 ? 0.600 0.567 0.737 -0.027 -0.023 -0.045 116 TYR HHH HD2  
1677 H HE1  . TYR A 110 ? 0.662 0.630 0.787 -0.004 -0.068 -0.081 116 TYR HHH HE1  
1678 H HE2  . TYR A 110 ? 0.633 0.598 0.825 -0.033 -0.027 -0.069 116 TYR HHH HE2  
1680 N N    . TRP A 111 ? 0.387 0.371 0.443 -0.012 -0.034 -0.021 117 TRP HHH N    
1681 C CA   . TRP A 111 ? 0.389 0.374 0.430 -0.012 -0.030 -0.012 117 TRP HHH CA   
1682 C C    . TRP A 111 ? 0.394 0.375 0.439 -0.017 -0.018 -0.006 117 TRP HHH C    
1683 O O    . TRP A 111 ? 0.341 0.322 0.406 -0.021 -0.012 -0.009 117 TRP HHH O    
1684 C CB   . TRP A 111 ? 0.397 0.389 0.440 -0.010 -0.035 -0.014 117 TRP HHH CB   
1685 C CG   . TRP A 111 ? 0.411 0.403 0.444 -0.002 -0.046 -0.019 117 TRP HHH CG   
1686 C CD1  . TRP A 111 ? 0.424 0.417 0.463 0.003  -0.056 -0.029 117 TRP HHH CD1  
1687 C CD2  . TRP A 111 ? 0.415 0.405 0.427 0.003  -0.047 -0.013 117 TRP HHH CD2  
1688 N NE1  . TRP A 111 ? 0.419 0.409 0.437 0.013  -0.063 -0.029 117 TRP HHH NE1  
1689 C CE2  . TRP A 111 ? 0.446 0.433 0.447 0.013  -0.056 -0.018 117 TRP HHH CE2  
1690 C CE3  . TRP A 111 ? 0.429 0.418 0.431 0.002  -0.040 -0.004 117 TRP HHH CE3  
1691 C CZ2  . TRP A 111 ? 0.474 0.455 0.452 0.021  -0.056 -0.013 117 TRP HHH CZ2  
1692 C CZ3  . TRP A 111 ? 0.484 0.468 0.470 0.007  -0.040 0.000  117 TRP HHH CZ3  
1693 C CH2  . TRP A 111 ? 0.516 0.496 0.489 0.017  -0.047 -0.003 117 TRP HHH CH2  
1694 H H    . TRP A 111 ? 0.395 0.381 0.468 -0.015 -0.033 -0.026 117 TRP HHH H    
1695 H HA   . TRP A 111 ? 0.391 0.374 0.418 -0.009 -0.031 -0.008 117 TRP HHH HA   
1696 H HB2  . TRP A 111 ? 0.395 0.390 0.455 -0.013 -0.035 -0.019 117 TRP HHH HB2  
1697 H HB3  . TRP A 111 ? 0.392 0.384 0.428 -0.011 -0.032 -0.009 117 TRP HHH HB3  
1698 H HD1  . TRP A 111 ? 0.423 0.418 0.479 0.000  -0.057 -0.036 117 TRP HHH HD1  
1699 H HE1  . TRP A 111 ? 0.441 0.431 0.457 0.019  -0.071 -0.036 117 TRP HHH HE1  
1700 H HE3  . TRP A 111 ? 0.428 0.419 0.435 -0.003 -0.035 -0.001 117 TRP HHH HE3  
1701 H HZ2  . TRP A 111 ? 0.489 0.467 0.458 0.029  -0.062 -0.016 117 TRP HHH HZ2  
1702 H HZ3  . TRP A 111 ? 0.468 0.452 0.451 0.006  -0.035 0.005  117 TRP HHH HZ3  
1703 H HH2  . TRP A 111 ? 0.502 0.476 0.462 0.022  -0.044 0.001  117 TRP HHH HH2  
1704 N N    . GLY A 112 ? 0.381 0.360 0.409 -0.015 -0.014 0.002  118 GLY HHH N    
1705 C CA   . GLY A 112 ? 0.395 0.372 0.419 -0.016 -0.005 0.007  118 GLY HHH CA   
1706 C C    . GLY A 112 ? 0.385 0.368 0.417 -0.017 -0.005 0.006  118 GLY HHH C    
1707 O O    . GLY A 112 ? 0.402 0.391 0.439 -0.017 -0.013 0.002  118 GLY HHH O    
1708 H H    . GLY A 112 ? 0.386 0.365 0.404 -0.013 -0.017 0.003  118 GLY HHH H    
1709 H HA2  . GLY A 112 ? 0.398 0.369 0.428 -0.017 0.001  0.009  118 GLY HHH HA2  
1710 H HA3  . GLY A 112 ? 0.392 0.367 0.403 -0.013 -0.005 0.011  118 GLY HHH HA3  
1711 N N    . GLN A 113 ? 0.426 0.407 0.457 -0.017 0.003  0.009  119 GLN HHH N    
1712 C CA   . GLN A 113 ? 0.457 0.444 0.495 -0.018 0.005  0.008  119 GLN HHH CA   
1713 C C    . GLN A 113 ? 0.448 0.440 0.473 -0.015 -0.001 0.009  119 GLN HHH C    
1714 O O    . GLN A 113 ? 0.457 0.454 0.487 -0.015 -0.003 0.007  119 GLN HHH O    
1715 C CB   . GLN A 113 ? 0.487 0.466 0.523 -0.018 0.019  0.013  119 GLN HHH CB   
1716 C CG   . GLN A 113 ? 0.633 0.605 0.644 -0.010 0.023  0.019  119 GLN HHH CG   
1717 C CD   . GLN A 113 ? 0.681 0.642 0.676 -0.006 0.025  0.023  119 GLN HHH CD   
1718 O OE1  . GLN A 113 ? 0.653 0.613 0.652 -0.008 0.021  0.022  119 GLN HHH OE1  
1719 N NE2  . GLN A 113 ? 0.650 0.603 0.623 0.003  0.030  0.028  119 GLN HHH NE2  
1720 H H    . GLN A 113 ? 0.433 0.408 0.457 -0.016 0.009  0.013  119 GLN HHH H    
1721 H HA   . GLN A 113 ? 0.449 0.440 0.500 -0.021 0.002  0.004  119 GLN HHH HA   
1722 H HB2  . GLN A 113 ? 0.510 0.493 0.555 -0.019 0.021  0.011  119 GLN HHH HB2  
1723 H HB3  . GLN A 113 ? 0.516 0.490 0.560 -0.020 0.024  0.013  119 GLN HHH HB3  
1724 H HG2  . GLN A 113 ? 0.598 0.576 0.604 -0.008 0.016  0.017  119 GLN HHH HG2  
1725 H HG3  . GLN A 113 ? 0.613 0.582 0.623 -0.009 0.031  0.021  119 GLN HHH HG3  
1728 N N    . GLY A 114 ? 0.444 0.434 0.456 -0.012 -0.005 0.011  120 GLY HHH N    
1729 C CA   . GLY A 114 ? 0.410 0.406 0.418 -0.010 -0.010 0.010  120 GLY HHH CA   
1730 C C    . GLY A 114 ? 0.406 0.401 0.405 -0.006 -0.007 0.010  120 GLY HHH C    
1731 O O    . GLY A 114 ? 0.366 0.358 0.362 -0.004 -0.001 0.012  120 GLY HHH O    
1732 H H    . GLY A 114 ? 0.441 0.428 0.449 -0.011 -0.004 0.012  120 GLY HHH H    
1733 H HA2  . GLY A 114 ? 0.413 0.409 0.417 -0.010 -0.012 0.010  120 GLY HHH HA2  
1734 H HA3  . GLY A 114 ? 0.410 0.409 0.424 -0.012 -0.012 0.008  120 GLY HHH HA3  
1735 N N    . ALA A 115 ? 0.400 0.400 0.396 -0.003 -0.012 0.007  121 ALA HHH N    
1736 C CA   . ALA A 115 ? 0.388 0.389 0.377 0.003  -0.014 0.004  121 ALA HHH CA   
1737 C C    . ALA A 115 ? 0.390 0.399 0.391 0.001  -0.018 -0.001 121 ALA HHH C    
1738 O O    . ALA A 115 ? 0.349 0.361 0.360 -0.003 -0.020 -0.002 121 ALA HHH O    
1739 C CB   . ALA A 115 ? 0.412 0.414 0.393 0.009  -0.017 0.002  121 ALA HHH CB   
1740 H H    . ALA A 115 ? 0.392 0.394 0.392 -0.005 -0.015 0.007  121 ALA HHH H    
1741 H HA   . ALA A 115 ? 0.404 0.402 0.387 0.006  -0.010 0.005  121 ALA HHH HA   
1742 H HB1  . ALA A 115 ? 0.412 0.416 0.388 0.015  -0.020 -0.002 121 ALA HHH HB1  
1743 H HB2  . ALA A 115 ? 0.412 0.408 0.385 0.011  -0.014 0.005  121 ALA HHH HB2  
1744 H HB3  . ALA A 115 ? 0.400 0.406 0.388 0.006  -0.020 -0.000 121 ALA HHH HB3  
1745 N N    . LEU A 116 ? 0.377 0.386 0.377 0.003  -0.017 -0.004 122 LEU HHH N    
1746 C CA   . LEU A 116 ? 0.387 0.401 0.399 0.001  -0.021 -0.009 122 LEU HHH CA   
1747 C C    . LEU A 116 ? 0.369 0.389 0.385 0.006  -0.027 -0.018 122 LEU HHH C    
1748 O O    . LEU A 116 ? 0.394 0.415 0.399 0.014  -0.029 -0.022 122 LEU HHH O    
1749 C CB   . LEU A 116 ? 0.400 0.414 0.413 0.003  -0.018 -0.010 122 LEU HHH CB   
1750 C CG   . LEU A 116 ? 0.430 0.447 0.456 0.000  -0.022 -0.015 122 LEU HHH CG   
1751 C CD1  . LEU A 116 ? 0.417 0.431 0.453 -0.006 -0.021 -0.011 122 LEU HHH CD1  
1752 C CD2  . LEU A 116 ? 0.422 0.440 0.447 0.004  -0.020 -0.018 122 LEU HHH CD2  
1753 H H    . LEU A 116 ? 0.391 0.397 0.384 0.006  -0.014 -0.002 122 LEU HHH H    
1754 H HA   . LEU A 116 ? 0.376 0.390 0.396 -0.004 -0.020 -0.007 122 LEU HHH HA   
1755 H HB2  . LEU A 116 ? 0.404 0.415 0.417 -0.000 -0.015 -0.006 122 LEU HHH HB2  
1756 H HB3  . LEU A 116 ? 0.414 0.427 0.417 0.008  -0.018 -0.012 122 LEU HHH HB3  
1757 H HG   . LEU A 116 ? 0.422 0.441 0.451 0.003  -0.026 -0.021 122 LEU HHH HG   
1758 H HD11 . LEU A 116 ? 0.417 0.432 0.457 -0.007 -0.022 -0.012 122 LEU HHH HD11 
1759 H HD12 . LEU A 116 ? 0.419 0.432 0.461 -0.007 -0.022 -0.013 122 LEU HHH HD12 
1760 H HD13 . LEU A 116 ? 0.417 0.430 0.450 -0.007 -0.019 -0.007 122 LEU HHH HD13 
1761 H HD21 . LEU A 116 ? 0.425 0.440 0.450 0.001  -0.017 -0.013 122 LEU HHH HD21 
1762 H HD22 . LEU A 116 ? 0.424 0.443 0.458 0.002  -0.023 -0.021 122 LEU HHH HD22 
1763 H HD23 . LEU A 116 ? 0.434 0.451 0.449 0.009  -0.020 -0.020 122 LEU HHH HD23 
1764 N N    . VAL A 117 ? 0.342 0.365 0.374 0.001  -0.028 -0.020 123 VAL HHH N    
1765 C CA   . VAL A 117 ? 0.353 0.384 0.398 0.004  -0.034 -0.032 123 VAL HHH CA   
1766 C C    . VAL A 117 ? 0.368 0.400 0.431 -0.000 -0.034 -0.037 123 VAL HHH C    
1767 O O    . VAL A 117 ? 0.335 0.362 0.408 -0.007 -0.028 -0.031 123 VAL HHH O    
1768 C CB   . VAL A 117 ? 0.376 0.411 0.430 0.001  -0.034 -0.032 123 VAL HHH CB   
1769 C CG1  . VAL A 117 ? 0.380 0.424 0.454 0.004  -0.040 -0.047 123 VAL HHH CG1  
1770 C CG2  . VAL A 117 ? 0.377 0.408 0.412 0.006  -0.034 -0.027 123 VAL HHH CG2  
1771 H H    . VAL A 117 ? 0.345 0.366 0.381 -0.004 -0.025 -0.016 123 VAL HHH H    
1772 H HA   . VAL A 117 ? 0.367 0.399 0.402 0.011  -0.038 -0.036 123 VAL HHH HA   
1773 H HB   . VAL A 117 ? 0.367 0.398 0.428 -0.005 -0.028 -0.028 123 VAL HHH HB   
1774 H HG11 . VAL A 117 ? 0.376 0.422 0.468 -0.001 -0.038 -0.049 123 VAL HHH HG11 
1775 H HG12 . VAL A 117 ? 0.379 0.427 0.457 0.006  -0.041 -0.049 123 VAL HHH HG12 
1776 H HG13 . VAL A 117 ? 0.385 0.432 0.453 0.011  -0.046 -0.053 123 VAL HHH HG13 
1777 H HG21 . VAL A 117 ? 0.385 0.416 0.409 0.013  -0.037 -0.030 123 VAL HHH HG21 
1778 H HG22 . VAL A 117 ? 0.376 0.411 0.418 0.005  -0.034 -0.029 123 VAL HHH HG22 
1779 H HG23 . VAL A 117 ? 0.376 0.401 0.403 0.003  -0.029 -0.019 123 VAL HHH HG23 
1780 N N    . THR A 118 ? 0.374 0.411 0.440 0.006  -0.041 -0.048 124 THR HHH N    
1781 C CA   . THR A 118 ? 0.360 0.398 0.445 0.003  -0.042 -0.055 124 THR HHH CA   
1782 C C    . THR A 118 ? 0.353 0.400 0.463 0.004  -0.048 -0.070 124 THR HHH C    
1783 O O    . THR A 118 ? 0.353 0.408 0.457 0.015  -0.058 -0.081 124 THR HHH O    
1784 C CB   . THR A 118 ? 0.380 0.416 0.453 0.010  -0.045 -0.058 124 THR HHH CB   
1785 O OG1  . THR A 118 ? 0.360 0.390 0.415 0.008  -0.038 -0.045 124 THR HHH OG1  
1786 C CG2  . THR A 118 ? 0.382 0.418 0.475 0.006  -0.046 -0.065 124 THR HHH CG2  
1787 H H    . THR A 118 ? 0.377 0.416 0.432 0.013  -0.045 -0.051 124 THR HHH H    
1788 H HA   . THR A 118 ? 0.359 0.392 0.451 -0.003 -0.036 -0.049 124 THR HHH HA   
1789 H HB   . THR A 118 ? 0.382 0.422 0.446 0.018  -0.050 -0.064 124 THR HHH HB   
1791 H HG21 . THR A 118 ? 0.384 0.426 0.491 0.008  -0.051 -0.076 124 THR HHH HG21 
1792 H HG22 . THR A 118 ? 0.385 0.419 0.469 0.009  -0.046 -0.064 124 THR HHH HG22 
1793 H HG23 . THR A 118 ? 0.376 0.408 0.479 -0.001 -0.040 -0.059 124 THR HHH HG23 
1794 N N    . VAL A 119 ? 0.360 0.406 0.497 -0.005 -0.043 -0.072 125 VAL HHH N    
1795 C CA   . VAL A 119 ? 0.355 0.410 0.525 -0.006 -0.046 -0.087 125 VAL HHH CA   
1796 C C    . VAL A 119 ? 0.341 0.396 0.533 -0.008 -0.048 -0.098 125 VAL HHH C    
1797 O O    . VAL A 119 ? 0.321 0.364 0.520 -0.015 -0.038 -0.089 125 VAL HHH O    
1798 C CB   . VAL A 119 ? 0.372 0.426 0.562 -0.015 -0.035 -0.082 125 VAL HHH CB   
1799 C CG1  . VAL A 119 ? 0.375 0.441 0.606 -0.017 -0.038 -0.100 125 VAL HHH CG1  
1800 C CG2  . VAL A 119 ? 0.390 0.443 0.556 -0.013 -0.033 -0.072 125 VAL HHH CG2  
1801 H H    . VAL A 119 ? 0.354 0.393 0.491 -0.010 -0.035 -0.063 125 VAL HHH H    
1802 H HA   . VAL A 119 ? 0.359 0.423 0.526 0.001  -0.055 -0.096 125 VAL HHH HA   
1803 H HB   . VAL A 119 ? 0.372 0.417 0.564 -0.021 -0.026 -0.073 125 VAL HHH HB   
1804 H HG11 . VAL A 119 ? 0.377 0.439 0.627 -0.022 -0.034 -0.104 125 VAL HHH HG11 
1805 H HG12 . VAL A 119 ? 0.373 0.439 0.613 -0.021 -0.031 -0.097 125 VAL HHH HG12 
1806 H HG13 . VAL A 119 ? 0.377 0.452 0.607 -0.010 -0.049 -0.112 125 VAL HHH HG13 
1807 H HG21 . VAL A 119 ? 0.384 0.446 0.546 -0.007 -0.042 -0.079 125 VAL HHH HG21 
1808 H HG22 . VAL A 119 ? 0.382 0.434 0.559 -0.018 -0.026 -0.068 125 VAL HHH HG22 
1809 H HG23 . VAL A 119 ? 0.382 0.428 0.527 -0.013 -0.031 -0.061 125 VAL HHH HG23 
1810 N N    . SER A 120 ? 0.349 0.415 0.551 0.001  -0.062 -0.117 126 SER HHH N    
1811 C CA   . SER A 120 ? 0.368 0.433 0.586 0.002  -0.066 -0.129 126 SER HHH CA   
1812 C C    . SER A 120 ? 0.382 0.462 0.620 0.011  -0.083 -0.155 126 SER HHH C    
1813 O O    . SER A 120 ? 0.375 0.463 0.596 0.022  -0.093 -0.160 126 SER HHH O    
1814 C CB   . SER A 120 ? 0.383 0.440 0.568 0.007  -0.066 -0.120 126 SER HHH CB   
1815 O OG   . SER A 120 ? 0.374 0.431 0.575 0.009  -0.071 -0.132 126 SER HHH OG   
1816 H H    . SER A 120 ? 0.354 0.428 0.553 0.007  -0.069 -0.125 126 SER HHH H    
1817 H HA   . SER A 120 ? 0.367 0.427 0.607 -0.007 -0.058 -0.127 126 SER HHH HA   
1818 H HB2  . SER A 120 ? 0.371 0.420 0.548 0.001  -0.057 -0.105 126 SER HHH HB2  
1819 H HB3  . SER A 120 ? 0.380 0.440 0.544 0.016  -0.072 -0.120 126 SER HHH HB3  
1821 N N    . SER A 121 ? 0.385 0.467 0.657 0.008  -0.085 -0.170 127 SER HHH N    
1822 C CA   . SER A 121 ? 0.397 0.493 0.691 0.019  -0.104 -0.199 127 SER HHH CA   
1823 C C    . SER A 121 ? 0.394 0.488 0.654 0.033  -0.114 -0.202 127 SER HHH C    
1824 O O    . SER A 121 ? 0.406 0.511 0.661 0.049  -0.132 -0.223 127 SER HHH O    
1825 C CB   . SER A 121 ? 0.384 0.482 0.735 0.007  -0.100 -0.214 127 SER HHH CB   
1826 O OG   . SER A 121 ? 0.364 0.460 0.742 -0.007 -0.085 -0.206 127 SER HHH OG   
1827 H H    . SER A 121 ? 0.384 0.458 0.668 -0.000 -0.077 -0.164 127 SER HHH H    
1828 H HA   . SER A 121 ? 0.393 0.499 0.687 0.025  -0.111 -0.206 127 SER HHH HA   
1829 H HB2  . SER A 121 ? 0.386 0.474 0.735 0.004  -0.095 -0.208 127 SER HHH HB2  
1830 H HB3  . SER A 121 ? 0.391 0.501 0.760 0.014  -0.113 -0.235 127 SER HHH HB3  
1832 N N    . ALA A 122 ? 0.435 0.515 0.654 0.033  -0.105 -0.180 129 ALA HHH N    
1833 C CA   . ALA A 122 ? 0.448 0.526 0.633 0.048  -0.112 -0.182 129 ALA HHH CA   
1834 C C    . ALA A 122 ? 0.485 0.567 0.633 0.065  -0.120 -0.183 129 ALA HHH C    
1835 O O    . ALA A 122 ? 0.471 0.554 0.613 0.062  -0.116 -0.173 129 ALA HHH O    
1836 C CB   . ALA A 122 ? 0.433 0.497 0.598 0.041  -0.098 -0.161 129 ALA HHH CB   
1837 H H    . ALA A 122 ? 0.426 0.499 0.637 0.025  -0.094 -0.163 129 ALA HHH H    
1838 H HA   . ALA A 122 ? 0.458 0.540 0.659 0.052  -0.120 -0.198 129 ALA HHH HA   
1839 H HB1  . ALA A 122 ? 0.444 0.508 0.592 0.050  -0.102 -0.163 129 ALA HHH HB1  
1840 H HB2  . ALA A 122 ? 0.429 0.490 0.616 0.031  -0.092 -0.159 129 ALA HHH HB2  
1841 H HB3  . ALA A 122 ? 0.429 0.491 0.578 0.038  -0.091 -0.147 129 ALA HHH HB3  
1842 N N    . SER A 123 ? 0.524 0.606 0.643 0.082  -0.130 -0.191 130 SER HHH N    
1843 C CA   . SER A 123 ? 0.589 0.669 0.663 0.101  -0.134 -0.188 130 SER HHH CA   
1844 C C    . SER A 123 ? 0.592 0.658 0.626 0.103  -0.119 -0.166 130 SER HHH C    
1845 O O    . SER A 123 ? 0.542 0.604 0.584 0.095  -0.112 -0.162 130 SER HHH O    
1846 C CB   . SER A 123 ? 0.664 0.752 0.732 0.123  -0.154 -0.213 130 SER HHH CB   
1847 O OG   . SER A 123 ? 0.713 0.814 0.811 0.123  -0.166 -0.230 130 SER HHH OG   
1848 H H    . SER A 123 ? 0.536 0.617 0.660 0.085  -0.133 -0.199 130 SER HHH H    
1849 H HA   . SER A 123 ? 0.582 0.663 0.656 0.098  -0.132 -0.182 130 SER HHH HA   
1850 H HB2  . SER A 123 ? 0.667 0.756 0.746 0.124  -0.159 -0.224 130 SER HHH HB2  
1851 H HB3  . SER A 123 ? 0.681 0.764 0.711 0.138  -0.155 -0.209 130 SER HHH HB3  
1853 N N    . THR A 124 ? 0.624 0.683 0.622 0.112  -0.114 -0.154 131 THR HHH N    
1854 C CA   . THR A 124 ? 0.623 0.669 0.586 0.114  -0.098 -0.134 131 THR HHH CA   
1855 C C    . THR A 124 ? 0.633 0.676 0.578 0.128  -0.101 -0.142 131 THR HHH C    
1856 O O    . THR A 124 ? 0.649 0.697 0.589 0.145  -0.116 -0.161 131 THR HHH O    
1857 C CB   . THR A 124 ? 0.641 0.679 0.570 0.124  -0.094 -0.122 131 THR HHH CB   
1858 O OG1  . THR A 124 ? 0.582 0.624 0.533 0.108  -0.090 -0.114 131 THR HHH OG1  
1859 C CG2  . THR A 124 ? 0.672 0.695 0.567 0.128  -0.076 -0.104 131 THR HHH CG2  
1860 H H    . THR A 124 ? 0.621 0.682 0.615 0.117  -0.119 -0.157 131 THR HHH H    
1861 H HA   . THR A 124 ? 0.605 0.649 0.581 0.099  -0.089 -0.123 131 THR HHH HA   
1862 H HB   . THR A 124 ? 0.655 0.695 0.571 0.139  -0.105 -0.134 131 THR HHH HB   
1864 H HG21 . THR A 124 ? 0.689 0.709 0.562 0.143  -0.078 -0.109 131 THR HHH HG21 
1865 H HG22 . THR A 124 ? 0.669 0.686 0.552 0.128  -0.070 -0.094 131 THR HHH HG22 
1866 H HG23 . THR A 124 ? 0.652 0.675 0.561 0.116  -0.068 -0.097 131 THR HHH HG23 
1867 N N    . LYS A 125 ? 0.629 0.666 0.572 0.120  -0.087 -0.130 132 LYS HHH N    
1868 C CA   . LYS A 125 ? 0.618 0.654 0.556 0.129  -0.089 -0.139 132 LYS HHH CA   
1869 C C    . LYS A 125 ? 0.611 0.640 0.541 0.122  -0.070 -0.121 132 LYS HHH C    
1870 O O    . LYS A 125 ? 0.553 0.583 0.507 0.103  -0.062 -0.111 132 LYS HHH O    
1871 C CB   . LYS A 125 ? 0.621 0.667 0.601 0.120  -0.101 -0.156 132 LYS HHH CB   
1872 C CG   . LYS A 125 ? 0.666 0.712 0.650 0.123  -0.101 -0.163 132 LYS HHH CG   
1873 C CD   . LYS A 125 ? 0.711 0.765 0.725 0.125  -0.118 -0.187 132 LYS HHH CD   
1874 C CE   . LYS A 125 ? 0.783 0.835 0.788 0.138  -0.122 -0.199 132 LYS HHH CE   
1875 N NZ   . LYS A 125 ? 0.849 0.895 0.857 0.126  -0.106 -0.184 132 LYS HHH NZ   
1876 H H    . LYS A 125 ? 0.611 0.644 0.555 0.110  -0.076 -0.116 132 LYS HHH H    
1877 H HA   . LYS A 125 ? 0.649 0.684 0.563 0.147  -0.095 -0.146 132 LYS HHH HA   
1878 H HB2  . LYS A 125 ? 0.633 0.685 0.618 0.127  -0.114 -0.170 132 LYS HHH HB2  
1879 H HB3  . LYS A 125 ? 0.605 0.652 0.607 0.104  -0.096 -0.149 132 LYS HHH HB3  
1880 H HG2  . LYS A 125 ? 0.652 0.695 0.646 0.111  -0.091 -0.153 132 LYS HHH HG2  
1881 H HG3  . LYS A 125 ? 0.687 0.728 0.641 0.137  -0.099 -0.163 132 LYS HHH HG3  
1882 H HD2  . LYS A 125 ? 0.721 0.779 0.734 0.133  -0.129 -0.199 132 LYS HHH HD2  
1883 H HD3  . LYS A 125 ? 0.694 0.749 0.738 0.110  -0.116 -0.186 132 LYS HHH HD3  
1884 H HE2  . LYS A 125 ? 0.809 0.859 0.783 0.154  -0.124 -0.202 132 LYS HHH HE2  
1885 H HE3  . LYS A 125 ? 0.787 0.845 0.816 0.138  -0.133 -0.216 132 LYS HHH HE3  
1886 H HZ1  . LYS A 125 ? 0.804 0.850 0.833 0.112  -0.102 -0.177 132 LYS HHH HZ1  
1887 H HZ2  . LYS A 125 ? 0.829 0.876 0.843 0.130  -0.110 -0.193 132 LYS HHH HZ2  
1888 H HZ3  . LYS A 125 ? 0.829 0.871 0.813 0.130  -0.097 -0.173 132 LYS HHH HZ3  
1889 N N    . GLY A 126 ? 0.617 0.638 0.513 0.137  -0.062 -0.118 133 GLY HHH N    
1890 C CA   . GLY A 126 ? 0.627 0.642 0.517 0.132  -0.043 -0.103 133 GLY HHH CA   
1891 C C    . GLY A 126 ? 0.606 0.627 0.521 0.125  -0.045 -0.111 133 GLY HHH C    
1892 O O    . GLY A 126 ? 0.591 0.618 0.517 0.131  -0.061 -0.129 133 GLY HHH O    
1893 H H    . GLY A 126 ? 0.646 0.666 0.521 0.153  -0.068 -0.126 133 GLY HHH H    
1894 H HA2  . GLY A 126 ? 0.606 0.620 0.506 0.120  -0.035 -0.092 133 GLY HHH HA2  
1895 H HA3  . GLY A 126 ? 0.645 0.653 0.507 0.145  -0.035 -0.100 133 GLY HHH HA3  
1896 N N    . PRO A 127 ? 0.614 0.634 0.540 0.115  -0.031 -0.100 134 PRO HHH N    
1897 C CA   . PRO A 127 ? 0.585 0.610 0.536 0.108  -0.033 -0.106 134 PRO HHH CA   
1898 C C    . PRO A 127 ? 0.610 0.633 0.543 0.125  -0.032 -0.115 134 PRO HHH C    
1899 O O    . PRO A 127 ? 0.607 0.624 0.506 0.140  -0.023 -0.112 134 PRO HHH O    
1900 C CB   . PRO A 127 ? 0.572 0.596 0.536 0.094  -0.019 -0.091 134 PRO HHH CB   
1901 C CG   . PRO A 127 ? 0.605 0.622 0.541 0.101  -0.003 -0.078 134 PRO HHH CG   
1902 C CD   . PRO A 127 ? 0.614 0.628 0.530 0.110  -0.012 -0.081 134 PRO HHH CD   
1903 H HA   . PRO A 127 ? 0.578 0.606 0.548 0.102  -0.044 -0.113 134 PRO HHH HA   
1904 H HB2  . PRO A 127 ? 0.574 0.600 0.546 0.094  -0.016 -0.093 134 PRO HHH HB2  
1905 H HB3  . PRO A 127 ? 0.556 0.583 0.537 0.083  -0.021 -0.087 134 PRO HHH HB3  
1906 H HG2  . PRO A 127 ? 0.617 0.632 0.540 0.111  0.005  -0.079 134 PRO HHH HG2  
1907 H HG3  . PRO A 127 ? 0.588 0.606 0.535 0.091  0.005  -0.069 134 PRO HHH HG3  
1908 H HD2  . PRO A 127 ? 0.637 0.644 0.526 0.122  -0.005 -0.079 134 PRO HHH HD2  
1909 H HD3  . PRO A 127 ? 0.601 0.615 0.525 0.101  -0.012 -0.075 134 PRO HHH HD3  
1910 N N    . SER A 128 ? 0.593 0.621 0.549 0.121  -0.040 -0.126 135 SER HHH N    
1911 C CA   . SER A 128 ? 0.611 0.639 0.562 0.131  -0.036 -0.132 135 SER HHH CA   
1912 C C    . SER A 128 ? 0.588 0.617 0.556 0.118  -0.021 -0.119 135 SER HHH C    
1913 O O    . SER A 128 ? 0.567 0.598 0.561 0.101  -0.023 -0.113 135 SER HHH O    
1914 C CB   . SER A 128 ? 0.616 0.647 0.587 0.133  -0.052 -0.151 135 SER HHH CB   
1915 O OG   . SER A 128 ? 0.655 0.687 0.614 0.145  -0.067 -0.166 135 SER HHH OG   
1916 H H    . SER A 128 ? 0.583 0.613 0.560 0.113  -0.048 -0.131 135 SER HHH H    
1917 H HA   . SER A 128 ? 0.633 0.658 0.557 0.144  -0.031 -0.133 135 SER HHH HA   
1918 H HB2  . SER A 128 ? 0.601 0.633 0.597 0.119  -0.055 -0.149 135 SER HHH HB2  
1919 H HB3  . SER A 128 ? 0.629 0.660 0.596 0.139  -0.049 -0.155 135 SER HHH HB3  
1921 N N    . VAL A 129 ? 0.597 0.625 0.549 0.126  -0.006 -0.114 136 VAL HHH N    
1922 C CA   . VAL A 129 ? 0.573 0.604 0.543 0.116  0.009  -0.104 136 VAL HHH CA   
1923 C C    . VAL A 129 ? 0.584 0.618 0.561 0.123  0.009  -0.114 136 VAL HHH C    
1924 O O    . VAL A 129 ? 0.617 0.649 0.569 0.140  0.015  -0.119 136 VAL HHH O    
1925 C CB   . VAL A 129 ? 0.570 0.597 0.523 0.118  0.031  -0.090 136 VAL HHH CB   
1926 C CG1  . VAL A 129 ? 0.581 0.615 0.563 0.107  0.044  -0.083 136 VAL HHH CG1  
1927 C CG2  . VAL A 129 ? 0.569 0.592 0.515 0.113  0.029  -0.081 136 VAL HHH CG2  
1928 H H    . VAL A 129 ? 0.618 0.642 0.547 0.139  -0.003 -0.117 136 VAL HHH H    
1929 H HA   . VAL A 129 ? 0.552 0.586 0.543 0.104  0.005  -0.101 136 VAL HHH HA   
1930 H HB   . VAL A 129 ? 0.602 0.625 0.533 0.131  0.037  -0.092 136 VAL HHH HB   
1931 H HG11 . VAL A 129 ? 0.583 0.619 0.564 0.114  0.049  -0.088 136 VAL HHH HG11 
1932 H HG12 . VAL A 129 ? 0.576 0.608 0.554 0.105  0.057  -0.074 136 VAL HHH HG12 
1933 H HG13 . VAL A 129 ? 0.553 0.591 0.556 0.097  0.036  -0.084 136 VAL HHH HG13 
1934 H HG21 . VAL A 129 ? 0.546 0.573 0.512 0.101  0.021  -0.081 136 VAL HHH HG21 
1935 H HG22 . VAL A 129 ? 0.573 0.593 0.513 0.111  0.044  -0.072 136 VAL HHH HG22 
1936 H HG23 . VAL A 129 ? 0.581 0.600 0.507 0.122  0.023  -0.086 136 VAL HHH HG23 
1937 N N    . PHE A 130 ? 0.548 0.587 0.556 0.113  0.002  -0.117 137 PHE HHH N    
1938 C CA   . PHE A 130 ? 0.517 0.559 0.535 0.119  -0.001 -0.128 137 PHE HHH CA   
1939 C C    . PHE A 130 ? 0.514 0.562 0.553 0.112  0.012  -0.121 137 PHE HHH C    
1940 O O    . PHE A 130 ? 0.475 0.525 0.531 0.099  0.012  -0.112 137 PHE HHH O    
1941 C CB   . PHE A 130 ? 0.522 0.561 0.558 0.115  -0.020 -0.139 137 PHE HHH CB   
1942 C CG   . PHE A 130 ? 0.538 0.573 0.561 0.122  -0.033 -0.150 137 PHE HHH CG   
1943 C CD1  . PHE A 130 ? 0.561 0.596 0.559 0.140  -0.035 -0.161 137 PHE HHH CD1  
1944 C CD2  . PHE A 130 ? 0.535 0.568 0.573 0.111  -0.044 -0.150 137 PHE HHH CD2  
1945 C CE1  . PHE A 130 ? 0.582 0.615 0.571 0.148  -0.050 -0.175 137 PHE HHH CE1  
1946 C CE2  . PHE A 130 ? 0.570 0.602 0.602 0.118  -0.057 -0.163 137 PHE HHH CE2  
1947 C CZ   . PHE A 130 ? 0.578 0.611 0.587 0.136  -0.061 -0.176 137 PHE HHH CZ   
1948 H H    . PHE A 130 ? 0.526 0.565 0.549 0.102  -0.001 -0.113 137 PHE HHH H    
1949 H HA   . PHE A 130 ? 0.549 0.589 0.547 0.132  0.003  -0.133 137 PHE HHH HA   
1950 H HB2  . PHE A 130 ? 0.503 0.542 0.555 0.104  -0.022 -0.132 137 PHE HHH HB2  
1951 H HB3  . PHE A 130 ? 0.524 0.564 0.568 0.119  -0.021 -0.145 137 PHE HHH HB3  
1952 H HD1  . PHE A 130 ? 0.579 0.614 0.565 0.148  -0.026 -0.161 137 PHE HHH HD1  
1953 H HD2  . PHE A 130 ? 0.521 0.553 0.574 0.100  -0.042 -0.142 137 PHE HHH HD2  
1954 H HE1  . PHE A 130 ? 0.605 0.637 0.574 0.163  -0.053 -0.183 137 PHE HHH HE1  
1955 H HE2  . PHE A 130 ? 0.547 0.578 0.593 0.110  -0.063 -0.163 137 PHE HHH HE2  
1956 H HZ   . PHE A 130 ? 0.586 0.619 0.592 0.142  -0.072 -0.187 137 PHE HHH HZ   
1957 N N    . PRO A 131 ? 0.536 0.588 0.574 0.121  0.021  -0.125 138 PRO HHH N    
1958 C CA   . PRO A 131 ? 0.529 0.589 0.593 0.115  0.031  -0.122 138 PRO HHH CA   
1959 C C    . PRO A 131 ? 0.503 0.565 0.595 0.108  0.016  -0.126 138 PRO HHH C    
1960 O O    . PRO A 131 ? 0.522 0.579 0.613 0.111  0.002  -0.135 138 PRO HHH O    
1961 C CB   . PRO A 131 ? 0.543 0.607 0.597 0.129  0.045  -0.128 138 PRO HHH CB   
1962 C CG   . PRO A 131 ? 0.577 0.633 0.607 0.143  0.032  -0.139 138 PRO HHH CG   
1963 C CD   . PRO A 131 ? 0.563 0.612 0.578 0.139  0.022  -0.136 138 PRO HHH CD   
1964 H HA   . PRO A 131 ? 0.518 0.581 0.587 0.109  0.040  -0.113 138 PRO HHH HA   
1965 H HB2  . PRO A 131 ? 0.544 0.613 0.617 0.128  0.045  -0.131 138 PRO HHH HB2  
1966 H HB3  . PRO A 131 ? 0.559 0.623 0.603 0.132  0.060  -0.121 138 PRO HHH HB3  
1967 H HG2  . PRO A 131 ? 0.566 0.623 0.609 0.142  0.021  -0.147 138 PRO HHH HG2  
1968 H HG3  . PRO A 131 ? 0.593 0.647 0.603 0.154  0.042  -0.141 138 PRO HHH HG3  
1969 H HD2  . PRO A 131 ? 0.567 0.613 0.581 0.141  0.007  -0.145 138 PRO HHH HD2  
1970 H HD3  . PRO A 131 ? 0.582 0.627 0.573 0.146  0.029  -0.133 138 PRO HHH HD3  
1971 N N    . LEU A 132 ? 0.496 0.565 0.612 0.099  0.019  -0.121 139 LEU HHH N    
1972 C CA   . LEU A 132 ? 0.491 0.562 0.632 0.095  0.009  -0.125 139 LEU HHH CA   
1973 C C    . LEU A 132 ? 0.517 0.600 0.675 0.101  0.020  -0.130 139 LEU HHH C    
1974 O O    . LEU A 132 ? 0.497 0.590 0.673 0.095  0.029  -0.125 139 LEU HHH O    
1975 C CB   . LEU A 132 ? 0.469 0.539 0.622 0.084  0.003  -0.116 139 LEU HHH CB   
1976 C CG   . LEU A 132 ? 0.474 0.532 0.612 0.078  -0.006 -0.111 139 LEU HHH CG   
1977 C CD1  . LEU A 132 ? 0.450 0.509 0.598 0.068  -0.009 -0.102 139 LEU HHH CD1  
1978 C CD2  . LEU A 132 ? 0.481 0.528 0.619 0.081  -0.020 -0.117 139 LEU HHH CD2  
1979 H H    . LEU A 132 ? 0.492 0.565 0.610 0.095  0.028  -0.115 139 LEU HHH H    
1980 H HA   . LEU A 132 ? 0.497 0.562 0.635 0.099  -0.001 -0.130 139 LEU HHH HA   
1981 H HB2  . LEU A 132 ? 0.469 0.545 0.627 0.081  0.012  -0.112 139 LEU HHH HB2  
1982 H HB3  . LEU A 132 ? 0.468 0.539 0.635 0.084  -0.004 -0.119 139 LEU HHH HB3  
1983 H HG   . LEU A 132 ? 0.476 0.534 0.600 0.080  -0.001 -0.109 139 LEU HHH HG   
1984 H HD11 . LEU A 132 ? 0.450 0.515 0.598 0.066  -0.000 -0.098 139 LEU HHH HD11 
1985 H HD12 . LEU A 132 ? 0.450 0.501 0.589 0.065  -0.014 -0.099 139 LEU HHH HD12 
1986 H HD13 . LEU A 132 ? 0.449 0.509 0.610 0.069  -0.014 -0.103 139 LEU HHH HD13 
1987 H HD21 . LEU A 132 ? 0.478 0.524 0.628 0.081  -0.024 -0.118 139 LEU HHH HD21 
1988 H HD22 . LEU A 132 ? 0.476 0.517 0.609 0.076  -0.024 -0.114 139 LEU HHH HD22 
1989 H HD23 . LEU A 132 ? 0.490 0.537 0.621 0.087  -0.019 -0.124 139 LEU HHH HD23 
1990 N N    . ALA A 133 ? 0.526 0.609 0.680 0.112  0.021  -0.140 140 ALA HHH N    
1991 C CA   . ALA A 133 ? 0.574 0.669 0.742 0.119  0.033  -0.146 140 ALA HHH CA   
1992 C C    . ALA A 133 ? 0.578 0.683 0.781 0.115  0.028  -0.148 140 ALA HHH C    
1993 O O    . ALA A 133 ? 0.587 0.686 0.798 0.113  0.011  -0.150 140 ALA HHH O    
1994 C CB   . ALA A 133 ? 0.613 0.704 0.768 0.132  0.030  -0.157 140 ALA HHH CB   
1995 H H    . ALA A 133 ? 0.542 0.619 0.686 0.116  0.013  -0.144 140 ALA HHH H    
1996 H HA   . ALA A 133 ? 0.579 0.678 0.743 0.119  0.048  -0.141 140 ALA HHH HA   
1997 H HB1  . ALA A 133 ? 0.612 0.711 0.779 0.137  0.038  -0.161 140 ALA HHH HB1  
1998 H HB2  . ALA A 133 ? 0.619 0.705 0.752 0.137  0.034  -0.156 140 ALA HHH HB2  
1999 H HB3  . ALA A 133 ? 0.603 0.688 0.761 0.132  0.016  -0.161 140 ALA HHH HB3  
2000 N N    . PRO A 134 ? 0.583 0.704 0.810 0.114  0.043  -0.150 141 PRO HHH N    
2001 C CA   . PRO A 134 ? 0.568 0.702 0.831 0.113  0.037  -0.156 141 PRO HHH CA   
2002 C C    . PRO A 134 ? 0.561 0.690 0.830 0.120  0.019  -0.165 141 PRO HHH C    
2003 O O    . PRO A 134 ? 0.571 0.701 0.837 0.130  0.022  -0.173 141 PRO HHH O    
2004 C CB   . PRO A 134 ? 0.590 0.740 0.873 0.116  0.060  -0.161 141 PRO HHH CB   
2005 C CG   . PRO A 134 ? 0.593 0.738 0.854 0.113  0.080  -0.150 141 PRO HHH CG   
2006 C CD   . PRO A 134 ? 0.604 0.730 0.824 0.115  0.068  -0.145 141 PRO HHH CD   
2007 H HA   . PRO A 134 ? 0.558 0.693 0.829 0.106  0.034  -0.152 141 PRO HHH HA   
2008 H HB2  . PRO A 134 ? 0.596 0.746 0.877 0.124  0.061  -0.167 141 PRO HHH HB2  
2009 H HB3  . PRO A 134 ? 0.577 0.739 0.889 0.113  0.060  -0.164 141 PRO HHH HB3  
2010 H HG2  . PRO A 134 ? 0.610 0.758 0.870 0.118  0.096  -0.152 141 PRO HHH HG2  
2011 H HG3  . PRO A 134 ? 0.587 0.735 0.860 0.105  0.084  -0.146 141 PRO HHH HG3  
2012 H HD2  . PRO A 134 ? 0.616 0.738 0.819 0.124  0.073  -0.148 141 PRO HHH HD2  
2013 H HD3  . PRO A 134 ? 0.598 0.719 0.807 0.110  0.072  -0.138 141 PRO HHH HD3  
2014 N N    . GLY A 142 ? 0.571 0.893 1.238 0.146  -0.034 -0.287 150 GLY HHH N    
2015 C CA   . GLY A 142 ? 0.580 0.886 1.215 0.135  -0.007 -0.269 150 GLY HHH CA   
2016 C C    . GLY A 142 ? 0.551 0.848 1.169 0.120  0.001  -0.254 150 GLY HHH C    
2017 O O    . GLY A 142 ? 0.570 0.879 1.217 0.109  0.025  -0.255 150 GLY HHH O    
2018 H H    . GLY A 142 ? 0.571 0.914 1.280 0.145  -0.027 -0.300 150 GLY HHH H    
2019 H HA2  . GLY A 142 ? 0.580 0.869 1.180 0.141  -0.013 -0.261 150 GLY HHH HA2  
2020 H HA3  . GLY A 142 ? 0.575 0.895 1.235 0.133  0.011  -0.274 150 GLY HHH HA3  
2021 N N    . THR A 143 ? 0.543 0.816 1.117 0.121  -0.016 -0.242 151 THR HHH N    
2022 C CA   . THR A 143 ? 0.524 0.783 1.070 0.107  -0.006 -0.224 151 THR HHH CA   
2023 C C    . THR A 143 ? 0.497 0.728 0.987 0.109  -0.005 -0.208 151 THR HHH C    
2024 O O    . THR A 143 ? 0.489 0.707 0.957 0.119  -0.024 -0.208 151 THR HHH O    
2025 C CB   . THR A 143 ? 0.541 0.802 1.096 0.103  -0.021 -0.226 151 THR HHH CB   
2026 O OG1  . THR A 143 ? 0.568 0.828 1.122 0.117  -0.050 -0.236 151 THR HHH OG1  
2027 C CG2  . THR A 143 ? 0.524 0.809 1.133 0.094  -0.008 -0.239 151 THR HHH CG2  
2028 H H    . THR A 143 ? 0.546 0.811 1.105 0.129  -0.034 -0.243 151 THR HHH H    
2029 H HA   . THR A 143 ? 0.524 0.790 1.085 0.100  0.015  -0.224 151 THR HHH HA   
2030 H HB   . THR A 143 ? 0.536 0.781 1.060 0.097  -0.019 -0.213 151 THR HHH HB   
2032 H HG21 . THR A 143 ? 0.526 0.810 1.135 0.085  0.013  -0.231 151 THR HHH HG21 
2033 H HG22 . THR A 143 ? 0.522 0.808 1.136 0.093  -0.020 -0.241 151 THR HHH HG22 
2034 H HG23 . THR A 143 ? 0.529 0.831 1.172 0.100  -0.009 -0.253 151 THR HHH HG23 
2035 N N    . ALA A 144 ? 0.489 0.712 0.958 0.099  0.015  -0.195 152 ALA HHH N    
2036 C CA   . ALA A 144 ? 0.481 0.681 0.901 0.101  0.018  -0.183 152 ALA HHH CA   
2037 C C    . ALA A 144 ? 0.457 0.641 0.847 0.091  0.016  -0.168 152 ALA HHH C    
2038 O O    . ALA A 144 ? 0.468 0.659 0.873 0.082  0.026  -0.166 152 ALA HHH O    
2039 C CB   . ALA A 144 ? 0.487 0.692 0.907 0.102  0.042  -0.183 152 ALA HHH CB   
2040 H H    . ALA A 144 ? 0.485 0.714 0.967 0.092  0.029  -0.194 152 ALA HHH H    
2041 H HA   . ALA A 144 ? 0.483 0.676 0.893 0.108  0.003  -0.185 152 ALA HHH HA   
2042 H HB1  . ALA A 144 ? 0.495 0.686 0.884 0.104  0.042  -0.177 152 ALA HHH HB1  
2043 H HB2  . ALA A 144 ? 0.492 0.707 0.932 0.108  0.042  -0.193 152 ALA HHH HB2  
2044 H HB3  . ALA A 144 ? 0.488 0.698 0.918 0.095  0.058  -0.180 152 ALA HHH HB3  
2045 N N    . ALA A 145 ? 0.430 0.593 0.782 0.093  0.004  -0.160 153 ALA HHH N    
2046 C CA   . ALA A 145 ? 0.441 0.589 0.764 0.085  0.004  -0.146 153 ALA HHH CA   
2047 C C    . ALA A 145 ? 0.441 0.578 0.734 0.085  0.017  -0.139 153 ALA HHH C    
2048 O O    . ALA A 145 ? 0.442 0.574 0.724 0.093  0.014  -0.143 153 ALA HHH O    
2049 C CB   . ALA A 145 ? 0.431 0.564 0.737 0.087  -0.018 -0.142 153 ALA HHH CB   
2050 H H    . ALA A 145 ? 0.446 0.603 0.789 0.100  -0.004 -0.162 153 ALA HHH H    
2051 H HA   . ALA A 145 ? 0.429 0.584 0.765 0.079  0.010  -0.145 153 ALA HHH HA   
2052 H HB1  . ALA A 145 ? 0.430 0.555 0.719 0.081  -0.017 -0.134 153 ALA HHH HB1  
2053 H HB2  . ALA A 145 ? 0.431 0.570 0.753 0.089  -0.026 -0.147 153 ALA HHH HB2  
2054 H HB3  . ALA A 145 ? 0.440 0.565 0.736 0.093  -0.024 -0.143 153 ALA HHH HB3  
2055 N N    . LEU A 146 ? 0.436 0.570 0.716 0.077  0.029  -0.130 154 LEU HHH N    
2056 C CA   . LEU A 146 ? 0.448 0.570 0.694 0.080  0.038  -0.124 154 LEU HHH CA   
2057 C C    . LEU A 146 ? 0.427 0.539 0.653 0.072  0.036  -0.113 154 LEU HHH C    
2058 O O    . LEU A 146 ? 0.392 0.507 0.632 0.064  0.032  -0.111 154 LEU HHH O    
2059 C CB   . LEU A 146 ? 0.485 0.614 0.733 0.084  0.062  -0.126 154 LEU HHH CB   
2060 C CG   . LEU A 146 ? 0.515 0.654 0.786 0.077  0.082  -0.122 154 LEU HHH CG   
2061 C CD1  . LEU A 146 ? 0.548 0.675 0.789 0.074  0.096  -0.110 154 LEU HHH CD1  
2062 C CD2  . LEU A 146 ? 0.530 0.683 0.828 0.081  0.101  -0.130 154 LEU HHH CD2  
2063 H H    . LEU A 146 ? 0.431 0.569 0.721 0.072  0.033  -0.128 154 LEU HHH H    
2064 H HA   . LEU A 146 ? 0.453 0.568 0.687 0.085  0.028  -0.127 154 LEU HHH HA   
2065 H HB2  . LEU A 146 ? 0.497 0.617 0.719 0.087  0.065  -0.122 154 LEU HHH HB2  
2066 H HB3  . LEU A 146 ? 0.491 0.626 0.751 0.090  0.061  -0.133 154 LEU HHH HB3  
2067 H HG   . LEU A 146 ? 0.501 0.645 0.790 0.071  0.073  -0.124 154 LEU HHH HG   
2068 H HD11 . LEU A 146 ? 0.534 0.652 0.760 0.071  0.084  -0.106 154 LEU HHH HD11 
2069 H HD12 . LEU A 146 ? 0.541 0.673 0.798 0.069  0.110  -0.108 154 LEU HHH HD12 
2070 H HD13 . LEU A 146 ? 0.556 0.677 0.777 0.082  0.104  -0.109 154 LEU HHH HD13 
2071 H HD21 . LEU A 146 ? 0.544 0.691 0.822 0.088  0.110  -0.129 154 LEU HHH HD21 
2072 H HD22 . LEU A 146 ? 0.529 0.687 0.844 0.075  0.115  -0.128 154 LEU HHH HD22 
2073 H HD23 . LEU A 146 ? 0.522 0.684 0.841 0.083  0.091  -0.139 154 LEU HHH HD23 
2074 N N    . GLY A 147 ? 0.408 0.507 0.602 0.074  0.038  -0.108 155 GLY HHH N    
2075 C CA   . GLY A 147 ? 0.425 0.515 0.599 0.068  0.034  -0.099 155 GLY HHH CA   
2076 C C    . GLY A 147 ? 0.444 0.524 0.585 0.074  0.038  -0.097 155 GLY HHH C    
2077 O O    . GLY A 147 ? 0.456 0.535 0.586 0.084  0.044  -0.103 155 GLY HHH O    
2078 H H    . GLY A 147 ? 0.430 0.527 0.613 0.081  0.040  -0.112 155 GLY HHH H    
2079 H HA2  . GLY A 147 ? 0.417 0.511 0.600 0.063  0.043  -0.095 155 GLY HHH HA2  
2080 H HA3  . GLY A 147 ? 0.412 0.498 0.588 0.065  0.021  -0.099 155 GLY HHH HA3  
2081 N N    . CYS A 148 ? 0.450 0.521 0.575 0.069  0.032  -0.090 156 CYS HHH N    
2082 C CA   . CYS A 148 ? 0.490 0.552 0.586 0.074  0.030  -0.089 156 CYS HHH CA   
2083 C C    . CYS A 148 ? 0.461 0.516 0.557 0.067  0.013  -0.088 156 CYS HHH C    
2084 O O    . CYS A 148 ? 0.432 0.487 0.539 0.058  0.009  -0.083 156 CYS HHH O    
2085 C CB   . CYS A 148 ? 0.534 0.592 0.613 0.074  0.045  -0.080 156 CYS HHH CB   
2086 S SG   . CYS A 148 ? 0.676 0.736 0.743 0.086  0.068  -0.080 156 CYS HHH SG   
2087 H H    . CYS A 148 ? 0.443 0.515 0.577 0.062  0.029  -0.086 156 CYS HHH H    
2088 H HA   . CYS A 148 ? 0.499 0.560 0.586 0.082  0.030  -0.095 156 CYS HHH HA   
2089 H HB2  . CYS A 148 ? 0.539 0.601 0.632 0.066  0.048  -0.075 156 CYS HHH HB2  
2090 H HB3  . CYS A 148 ? 0.553 0.605 0.615 0.075  0.040  -0.079 156 CYS HHH HB3  
2091 N N    . LEU A 149 ? 0.461 0.510 0.545 0.073  0.003  -0.095 157 LEU HHH N    
2092 C CA   . LEU A 149 ? 0.481 0.522 0.564 0.068  -0.010 -0.096 157 LEU HHH CA   
2093 C C    . LEU A 149 ? 0.470 0.509 0.532 0.071  -0.010 -0.095 157 LEU HHH C    
2094 O O    . LEU A 149 ? 0.456 0.495 0.500 0.083  -0.009 -0.103 157 LEU HHH O    
2095 C CB   . LEU A 149 ? 0.493 0.530 0.585 0.072  -0.021 -0.107 157 LEU HHH CB   
2096 C CG   . LEU A 149 ? 0.499 0.528 0.597 0.066  -0.033 -0.109 157 LEU HHH CG   
2097 C CD1  . LEU A 149 ? 0.490 0.515 0.598 0.055  -0.033 -0.098 157 LEU HHH CD1  
2098 C CD2  . LEU A 149 ? 0.507 0.530 0.616 0.070  -0.041 -0.121 157 LEU HHH CD2  
2099 H H    . LEU A 149 ? 0.481 0.530 0.558 0.081  0.004  -0.101 157 LEU HHH H    
2100 H HA   . LEU A 149 ? 0.461 0.503 0.555 0.060  -0.012 -0.090 157 LEU HHH HA   
2101 H HB2  . LEU A 149 ? 0.490 0.528 0.595 0.071  -0.021 -0.107 157 LEU HHH HB2  
2102 H HB3  . LEU A 149 ? 0.506 0.544 0.588 0.080  -0.020 -0.113 157 LEU HHH HB3  
2103 H HG   . LEU A 149 ? 0.501 0.530 0.588 0.068  -0.034 -0.110 157 LEU HHH HG   
2104 H HD11 . LEU A 149 ? 0.483 0.511 0.585 0.052  -0.030 -0.092 157 LEU HHH HD11 
2105 H HD12 . LEU A 149 ? 0.488 0.506 0.602 0.052  -0.039 -0.099 157 LEU HHH HD12 
2106 H HD13 . LEU A 149 ? 0.486 0.512 0.602 0.055  -0.032 -0.096 157 LEU HHH HD13 
2107 H HD21 . LEU A 149 ? 0.505 0.527 0.623 0.070  -0.041 -0.119 157 LEU HHH HD21 
2108 H HD22 . LEU A 149 ? 0.505 0.523 0.620 0.066  -0.047 -0.122 157 LEU HHH HD22 
2109 H HD23 . LEU A 149 ? 0.518 0.544 0.619 0.078  -0.042 -0.129 157 LEU HHH HD23 
2110 N N    . VAL A 150 ? 0.458 0.495 0.518 0.063  -0.011 -0.087 158 VAL HHH N    
2111 C CA   . VAL A 150 ? 0.488 0.523 0.528 0.066  -0.010 -0.085 158 VAL HHH CA   
2112 C C    . VAL A 150 ? 0.521 0.552 0.568 0.062  -0.024 -0.090 158 VAL HHH C    
2113 O O    . VAL A 150 ? 0.491 0.520 0.550 0.051  -0.026 -0.083 158 VAL HHH O    
2114 C CB   . VAL A 150 ? 0.475 0.510 0.513 0.059  0.000  -0.072 158 VAL HHH CB   
2115 C CG1  . VAL A 150 ? 0.478 0.509 0.493 0.064  0.001  -0.069 158 VAL HHH CG1  
2116 C CG2  . VAL A 150 ? 0.472 0.511 0.512 0.061  0.016  -0.068 158 VAL HHH CG2  
2117 H H    . VAL A 150 ? 0.452 0.489 0.524 0.056  -0.012 -0.082 158 VAL HHH H    
2118 H HA   . VAL A 150 ? 0.504 0.539 0.530 0.076  -0.007 -0.089 158 VAL HHH HA   
2119 H HB   . VAL A 150 ? 0.459 0.495 0.511 0.051  -0.003 -0.069 158 VAL HHH HB   
2120 H HG11 . VAL A 150 ? 0.474 0.504 0.493 0.061  -0.009 -0.072 158 VAL HHH HG11 
2121 H HG12 . VAL A 150 ? 0.479 0.508 0.491 0.061  0.009  -0.061 158 VAL HHH HG12 
2122 H HG13 . VAL A 150 ? 0.497 0.526 0.496 0.074  0.002  -0.074 158 VAL HHH HG13 
2123 H HG21 . VAL A 150 ? 0.490 0.528 0.518 0.070  0.021  -0.071 158 VAL HHH HG21 
2124 H HG22 . VAL A 150 ? 0.473 0.511 0.512 0.058  0.023  -0.060 158 VAL HHH HG22 
2125 H HG23 . VAL A 150 ? 0.466 0.509 0.524 0.057  0.015  -0.069 158 VAL HHH HG23 
2126 N N    . LYS A 151 ? 0.522 0.553 0.564 0.071  -0.032 -0.103 159 LYS HHH N    
2127 C CA   . LYS A 151 ? 0.524 0.553 0.584 0.067  -0.045 -0.112 159 LYS HHH CA   
2128 C C    . LYS A 151 ? 0.511 0.542 0.561 0.072  -0.053 -0.120 159 LYS HHH C    
2129 O O    . LYS A 151 ? 0.538 0.569 0.562 0.086  -0.052 -0.124 159 LYS HHH O    
2130 C CB   . LYS A 151 ? 0.546 0.573 0.618 0.071  -0.050 -0.124 159 LYS HHH CB   
2131 C CG   . LYS A 151 ? 0.592 0.615 0.687 0.066  -0.061 -0.134 159 LYS HHH CG   
2132 C CD   . LYS A 151 ? 0.626 0.643 0.738 0.066  -0.063 -0.141 159 LYS HHH CD   
2133 C CE   . LYS A 151 ? 0.636 0.645 0.776 0.057  -0.069 -0.146 159 LYS HHH CE   
2134 N NZ   . LYS A 151 ? 0.657 0.670 0.804 0.061  -0.079 -0.162 159 LYS HHH NZ   
2135 H H    . LYS A 151 ? 0.540 0.572 0.568 0.081  -0.031 -0.108 159 LYS HHH H    
2136 H HA   . LYS A 151 ? 0.509 0.535 0.581 0.057  -0.044 -0.105 159 LYS HHH HA   
2137 H HB2  . LYS A 151 ? 0.549 0.575 0.627 0.068  -0.046 -0.119 159 LYS HHH HB2  
2138 H HB3  . LYS A 151 ? 0.567 0.596 0.625 0.082  -0.051 -0.131 159 LYS HHH HB3  
2139 H HG2  . LYS A 151 ? 0.596 0.621 0.687 0.073  -0.068 -0.145 159 LYS HHH HG2  
2140 H HG3  . LYS A 151 ? 0.577 0.597 0.680 0.058  -0.060 -0.127 159 LYS HHH HG3  
2141 H HD2  . LYS A 151 ? 0.616 0.632 0.728 0.064  -0.057 -0.132 159 LYS HHH HD2  
2142 H HD3  . LYS A 151 ? 0.633 0.653 0.740 0.075  -0.067 -0.151 159 LYS HHH HD3  
2143 H HE2  . LYS A 151 ? 0.626 0.632 0.771 0.049  -0.064 -0.135 159 LYS HHH HE2  
2144 H HE3  . LYS A 151 ? 0.639 0.643 0.790 0.058  -0.069 -0.149 159 LYS HHH HE3  
2145 H HZ1  . LYS A 151 ? 0.661 0.680 0.795 0.071  -0.082 -0.169 159 LYS HHH HZ1  
2146 H HZ2  . LYS A 151 ? 0.655 0.665 0.822 0.059  -0.082 -0.170 159 LYS HHH HZ2  
2147 H HZ3  . LYS A 151 ? 0.646 0.662 0.793 0.057  -0.078 -0.158 159 LYS HHH HZ3  
2148 N N    . ASP A 152 ? 0.483 0.512 0.551 0.063  -0.059 -0.121 160 ASP HHH N    
2149 C CA   . ASP A 152 ? 0.480 0.513 0.551 0.068  -0.070 -0.134 160 ASP HHH CA   
2150 C C    . ASP A 152 ? 0.481 0.516 0.523 0.075  -0.068 -0.128 160 ASP HHH C    
2151 O O    . ASP A 152 ? 0.469 0.507 0.493 0.091  -0.075 -0.140 160 ASP HHH O    
2152 C CB   . ASP A 152 ? 0.517 0.552 0.592 0.079  -0.082 -0.155 160 ASP HHH CB   
2153 C CG   . ASP A 152 ? 0.535 0.566 0.642 0.071  -0.084 -0.161 160 ASP HHH CG   
2154 O OD1  . ASP A 152 ? 0.530 0.555 0.656 0.056  -0.078 -0.150 160 ASP HHH OD1  
2155 O OD2  . ASP A 152 ? 0.632 0.663 0.742 0.079  -0.090 -0.175 160 ASP HHH OD2  
2156 H H    . ASP A 152 ? 0.474 0.501 0.554 0.054  -0.056 -0.114 160 ASP HHH H    
2157 H HA   . ASP A 152 ? 0.474 0.506 0.563 0.058  -0.071 -0.133 160 ASP HHH HA   
2158 H HB2  . ASP A 152 ? 0.529 0.565 0.586 0.089  -0.080 -0.156 160 ASP HHH HB2  
2159 H HB3  . ASP A 152 ? 0.522 0.562 0.600 0.083  -0.090 -0.165 160 ASP HHH HB3  
2160 N N    . TYR A 153 ? 0.438 0.471 0.477 0.066  -0.059 -0.112 161 TYR HHH N    
2161 C CA   . TYR A 153 ? 0.455 0.488 0.472 0.071  -0.056 -0.106 161 TYR HHH CA   
2162 C C    . TYR A 153 ? 0.434 0.468 0.466 0.060  -0.059 -0.102 161 TYR HHH C    
2163 O O    . TYR A 153 ? 0.401 0.434 0.458 0.047  -0.057 -0.099 161 TYR HHH O    
2164 C CB   . TYR A 153 ? 0.483 0.512 0.480 0.071  -0.041 -0.090 161 TYR HHH CB   
2165 C CG   . TYR A 153 ? 0.454 0.482 0.469 0.056  -0.033 -0.077 161 TYR HHH CG   
2166 C CD1  . TYR A 153 ? 0.446 0.473 0.462 0.048  -0.030 -0.067 161 TYR HHH CD1  
2167 C CD2  . TYR A 153 ? 0.450 0.478 0.479 0.051  -0.030 -0.077 161 TYR HHH CD2  
2168 C CE1  . TYR A 153 ? 0.441 0.466 0.471 0.036  -0.025 -0.058 161 TYR HHH CE1  
2169 C CE2  . TYR A 153 ? 0.419 0.447 0.463 0.040  -0.025 -0.067 161 TYR HHH CE2  
2170 C CZ   . TYR A 153 ? 0.424 0.450 0.467 0.033  -0.023 -0.058 161 TYR HHH CZ   
2171 O OH   . TYR A 153 ? 0.417 0.442 0.472 0.025  -0.020 -0.050 161 TYR HHH OH   
2172 H H    . TYR A 153 ? 0.436 0.467 0.486 0.056  -0.054 -0.105 161 TYR HHH H    
2173 H HA   . TYR A 153 ? 0.472 0.506 0.475 0.083  -0.062 -0.115 161 TYR HHH HA   
2174 H HB2  . TYR A 153 ? 0.483 0.510 0.463 0.076  -0.039 -0.086 161 TYR HHH HB2  
2175 H HB3  . TYR A 153 ? 0.486 0.514 0.475 0.078  -0.038 -0.093 161 TYR HHH HB3  
2176 H HD1  . TYR A 153 ? 0.452 0.478 0.458 0.051  -0.032 -0.068 161 TYR HHH HD1  
2177 H HD2  . TYR A 153 ? 0.454 0.483 0.483 0.057  -0.032 -0.084 161 TYR HHH HD2  
2178 H HE1  . TYR A 153 ? 0.429 0.454 0.458 0.031  -0.023 -0.052 161 TYR HHH HE1  
2179 H HE2  . TYR A 153 ? 0.425 0.452 0.477 0.039  -0.025 -0.068 161 TYR HHH HE2  
2181 N N    . PHE A 154 ? 0.435 0.470 0.452 0.066  -0.061 -0.101 162 PHE HHH N    
2182 C CA   . PHE A 154 ? 0.418 0.455 0.448 0.057  -0.063 -0.098 162 PHE HHH CA   
2183 C C    . PHE A 154 ? 0.425 0.460 0.428 0.065  -0.060 -0.091 162 PHE HHH C    
2184 O O    . PHE A 154 ? 0.441 0.475 0.419 0.081  -0.064 -0.098 162 PHE HHH O    
2185 C CB   . PHE A 154 ? 0.401 0.445 0.457 0.056  -0.075 -0.115 162 PHE HHH CB   
2186 C CG   . PHE A 154 ? 0.398 0.445 0.469 0.047  -0.075 -0.112 162 PHE HHH CG   
2187 C CD1  . PHE A 154 ? 0.381 0.424 0.474 0.032  -0.067 -0.103 162 PHE HHH CD1  
2188 C CD2  . PHE A 154 ? 0.428 0.480 0.490 0.056  -0.082 -0.118 162 PHE HHH CD2  
2189 C CE1  . PHE A 154 ? 0.390 0.435 0.494 0.025  -0.065 -0.099 162 PHE HHH CE1  
2190 C CE2  . PHE A 154 ? 0.406 0.461 0.483 0.048  -0.082 -0.116 162 PHE HHH CE2  
2191 C CZ   . PHE A 154 ? 0.371 0.423 0.469 0.032  -0.072 -0.106 162 PHE HHH CZ   
2192 H H    . PHE A 154 ? 0.450 0.484 0.446 0.077  -0.061 -0.103 162 PHE HHH H    
2193 H HA   . PHE A 154 ? 0.402 0.437 0.442 0.046  -0.056 -0.089 162 PHE HHH HA   
2194 H HB2  . PHE A 154 ? 0.403 0.446 0.476 0.051  -0.075 -0.119 162 PHE HHH HB2  
2195 H HB3  . PHE A 154 ? 0.421 0.468 0.467 0.068  -0.083 -0.126 162 PHE HHH HB3  
2196 H HD1  . PHE A 154 ? 0.382 0.421 0.479 0.027  -0.063 -0.099 162 PHE HHH HD1  
2197 H HD2  . PHE A 154 ? 0.434 0.487 0.478 0.069  -0.088 -0.125 162 PHE HHH HD2  
2198 H HE1  . PHE A 154 ? 0.372 0.413 0.488 0.015  -0.059 -0.092 162 PHE HHH HE1  
2199 H HE2  . PHE A 154 ? 0.410 0.469 0.480 0.055  -0.087 -0.121 162 PHE HHH HE2  
2200 H HZ   . PHE A 154 ? 0.375 0.429 0.482 0.027  -0.071 -0.104 162 PHE HHH HZ   
2201 N N    . PRO A 155 ? 0.419 0.452 0.422 0.056  -0.054 -0.079 163 PRO HHH N    
2202 C CA   . PRO A 155 ? 0.420 0.452 0.444 0.040  -0.048 -0.069 163 PRO HHH CA   
2203 C C    . PRO A 155 ? 0.424 0.450 0.440 0.036  -0.036 -0.057 163 PRO HHH C    
2204 O O    . PRO A 155 ? 0.425 0.449 0.424 0.044  -0.031 -0.055 163 PRO HHH O    
2205 C CB   . PRO A 155 ? 0.400 0.432 0.422 0.037  -0.048 -0.065 163 PRO HHH CB   
2206 C CG   . PRO A 155 ? 0.420 0.448 0.411 0.049  -0.046 -0.062 163 PRO HHH CG   
2207 C CD   . PRO A 155 ? 0.437 0.466 0.416 0.063  -0.052 -0.073 163 PRO HHH CD   
2208 H HA   . PRO A 155 ? 0.409 0.442 0.451 0.035  -0.051 -0.075 163 PRO HHH HA   
2209 H HB2  . PRO A 155 ? 0.394 0.424 0.421 0.028  -0.043 -0.056 163 PRO HHH HB2  
2210 H HB3  . PRO A 155 ? 0.403 0.440 0.438 0.037  -0.055 -0.074 163 PRO HHH HB3  
2211 H HG2  . PRO A 155 ? 0.418 0.441 0.401 0.047  -0.037 -0.052 163 PRO HHH HG2  
2212 H HG3  . PRO A 155 ? 0.421 0.450 0.409 0.052  -0.050 -0.063 163 PRO HHH HG3  
2213 H HD2  . PRO A 155 ? 0.448 0.471 0.407 0.069  -0.045 -0.067 163 PRO HHH HD2  
2214 H HD3  . PRO A 155 ? 0.444 0.477 0.420 0.071  -0.061 -0.082 163 PRO HHH HD3  
2215 N N    . GLU A 156 ? 0.438 0.463 0.467 0.024  -0.032 -0.048 164 GLU HHH N    
2216 C CA   . GLU A 156 ? 0.487 0.509 0.512 0.021  -0.022 -0.037 164 GLU HHH CA   
2217 C C    . GLU A 156 ? 0.525 0.544 0.531 0.025  -0.016 -0.031 164 GLU HHH C    
2218 O O    . GLU A 156 ? 0.518 0.536 0.515 0.028  -0.021 -0.033 164 GLU HHH O    
2219 C CB   . GLU A 156 ? 0.458 0.479 0.497 0.011  -0.022 -0.031 164 GLU HHH CB   
2220 C CG   . GLU A 156 ? 0.506 0.526 0.560 0.008  -0.025 -0.035 164 GLU HHH CG   
2221 C CD   . GLU A 156 ? 0.548 0.568 0.604 0.008  -0.021 -0.033 164 GLU HHH CD   
2222 O OE1  . GLU A 156 ? 0.557 0.579 0.606 0.014  -0.018 -0.036 164 GLU HHH OE1  
2223 O OE2  . GLU A 156 ? 0.538 0.556 0.602 0.004  -0.022 -0.029 164 GLU HHH OE2  
2224 H H    . GLU A 156 ? 0.436 0.461 0.477 0.019  -0.034 -0.048 164 GLU HHH H    
2225 H HA   . GLU A 156 ? 0.484 0.506 0.507 0.023  -0.020 -0.039 164 GLU HHH HA   
2226 H HB2  . GLU A 156 ? 0.471 0.491 0.510 0.008  -0.024 -0.030 164 GLU HHH HB2  
2227 H HB3  . GLU A 156 ? 0.472 0.492 0.509 0.009  -0.017 -0.026 164 GLU HHH HB3  
2228 H HG2  . GLU A 156 ? 0.507 0.527 0.563 0.011  -0.029 -0.042 164 GLU HHH HG2  
2229 H HG3  . GLU A 156 ? 0.498 0.515 0.558 0.003  -0.026 -0.032 164 GLU HHH HG3  
2230 N N    . PRO A 157 ? 0.541 0.557 0.542 0.024  -0.006 -0.024 165 PRO HHH N    
2231 C CA   . PRO A 157 ? 0.540 0.558 0.552 0.021  -0.001 -0.024 165 PRO HHH CA   
2232 C C    . PRO A 157 ? 0.554 0.571 0.555 0.031  0.007  -0.026 165 PRO HHH C    
2233 O O    . PRO A 157 ? 0.592 0.604 0.570 0.041  0.009  -0.027 165 PRO HHH O    
2234 C CB   . PRO A 157 ? 0.532 0.549 0.552 0.014  0.007  -0.016 165 PRO HHH CB   
2235 C CG   . PRO A 157 ? 0.552 0.561 0.552 0.019  0.014  -0.011 165 PRO HHH CG   
2236 C CD   . PRO A 157 ? 0.549 0.558 0.538 0.025  0.003  -0.016 165 PRO HHH CD   
2237 H HA   . PRO A 157 ? 0.530 0.551 0.554 0.018  -0.006 -0.027 165 PRO HHH HA   
2238 H HB2  . PRO A 157 ? 0.535 0.553 0.562 0.013  0.013  -0.016 165 PRO HHH HB2  
2239 H HB3  . PRO A 157 ? 0.524 0.542 0.552 0.009  0.002  -0.015 165 PRO HHH HB3  
2240 H HG2  . PRO A 157 ? 0.562 0.568 0.553 0.025  0.022  -0.010 165 PRO HHH HG2  
2241 H HG3  . PRO A 157 ? 0.545 0.553 0.550 0.015  0.017  -0.006 165 PRO HHH HG3  
2242 H HD2  . PRO A 157 ? 0.564 0.570 0.536 0.033  0.005  -0.016 165 PRO HHH HD2  
2243 H HD3  . PRO A 157 ? 0.542 0.552 0.535 0.020  -0.000 -0.014 165 PRO HHH HD3  
2244 N N    . VAL A 158 ? 0.538 0.558 0.552 0.029  0.011  -0.028 166 VAL HHH N    
2245 C CA   . VAL A 158 ? 0.568 0.586 0.572 0.037  0.023  -0.028 166 VAL HHH CA   
2246 C C    . VAL A 158 ? 0.555 0.577 0.579 0.029  0.034  -0.023 166 VAL HHH C    
2247 O O    . VAL A 158 ? 0.501 0.528 0.546 0.021  0.027  -0.024 166 VAL HHH O    
2248 C CB   . VAL A 158 ? 0.575 0.597 0.580 0.043  0.017  -0.037 166 VAL HHH CB   
2249 C CG1  . VAL A 158 ? 0.604 0.625 0.596 0.051  0.004  -0.046 166 VAL HHH CG1  
2250 C CG2  . VAL A 158 ? 0.562 0.591 0.594 0.035  0.011  -0.040 166 VAL HHH CG2  
2251 H H    . VAL A 158 ? 0.533 0.557 0.562 0.024  0.007  -0.028 166 VAL HHH H    
2252 H HA   . VAL A 158 ? 0.578 0.592 0.565 0.043  0.028  -0.025 166 VAL HHH HA   
2253 H HB   . VAL A 158 ? 0.592 0.613 0.590 0.049  0.026  -0.037 166 VAL HHH HB   
2254 H HG11 . VAL A 158 ? 0.613 0.630 0.586 0.060  0.007  -0.046 166 VAL HHH HG11 
2255 H HG12 . VAL A 158 ? 0.595 0.619 0.595 0.052  -0.002 -0.052 166 VAL HHH HG12 
2256 H HG13 . VAL A 158 ? 0.587 0.608 0.584 0.046  -0.002 -0.045 166 VAL HHH HG13 
2257 H HG21 . VAL A 158 ? 0.550 0.578 0.588 0.029  0.005  -0.039 166 VAL HHH HG21 
2258 H HG22 . VAL A 158 ? 0.563 0.593 0.596 0.039  0.006  -0.047 166 VAL HHH HG22 
2259 H HG23 . VAL A 158 ? 0.560 0.591 0.600 0.033  0.019  -0.038 166 VAL HHH HG23 
2260 N N    . THR A 159 ? 0.564 0.582 0.582 0.034  0.051  -0.019 167 THR HHH N    
2261 C CA   . THR A 159 ? 0.561 0.584 0.606 0.027  0.063  -0.018 167 THR HHH CA   
2262 C C    . THR A 159 ? 0.546 0.573 0.593 0.033  0.071  -0.022 167 THR HHH C    
2263 O O    . THR A 159 ? 0.541 0.560 0.560 0.045  0.075  -0.023 167 THR HHH O    
2264 C CB   . THR A 159 ? 0.577 0.592 0.619 0.024  0.079  -0.009 167 THR HHH CB   
2265 O OG1  . THR A 159 ? 0.603 0.606 0.616 0.036  0.093  -0.004 167 THR HHH OG1  
2266 C CG2  . THR A 159 ? 0.609 0.620 0.647 0.019  0.070  -0.005 167 THR HHH CG2  
2267 H H    . THR A 159 ? 0.582 0.594 0.582 0.042  0.056  -0.018 167 THR HHH H    
2268 H HA   . THR A 159 ? 0.541 0.570 0.603 0.020  0.054  -0.021 167 THR HHH HA   
2269 H HB   . THR A 159 ? 0.579 0.599 0.645 0.018  0.086  -0.010 167 THR HHH HB   
2271 H HG21 . THR A 159 ? 0.582 0.599 0.640 0.011  0.066  -0.007 167 THR HHH HG21 
2272 H HG22 . THR A 159 ? 0.609 0.611 0.635 0.021  0.080  0.001  167 THR HHH HG22 
2273 H HG23 . THR A 159 ? 0.592 0.603 0.618 0.022  0.058  -0.007 167 THR HHH HG23 
2274 N N    . VAL A 160 ? 0.498 0.535 0.575 0.027  0.072  -0.027 168 VAL HHH N    
2275 C CA   . VAL A 160 ? 0.513 0.555 0.600 0.032  0.081  -0.032 168 VAL HHH CA   
2276 C C    . VAL A 160 ? 0.488 0.537 0.607 0.026  0.098  -0.032 168 VAL HHH C    
2277 O O    . VAL A 160 ? 0.456 0.514 0.603 0.016  0.089  -0.036 168 VAL HHH O    
2278 C CB   . VAL A 160 ? 0.487 0.538 0.586 0.033  0.064  -0.042 168 VAL HHH CB   
2279 C CG1  . VAL A 160 ? 0.519 0.576 0.625 0.040  0.073  -0.048 168 VAL HHH CG1  
2280 C CG2  . VAL A 160 ? 0.500 0.545 0.577 0.037  0.047  -0.044 168 VAL HHH CG2  
2281 H H    . VAL A 160 ? 0.494 0.536 0.589 0.021  0.066  -0.029 168 VAL HHH H    
2282 H HA   . VAL A 160 ? 0.521 0.557 0.587 0.041  0.088  -0.030 168 VAL HHH HA   
2283 H HB   . VAL A 160 ? 0.483 0.540 0.602 0.027  0.058  -0.044 168 VAL HHH HB   
2284 H HG11 . VAL A 160 ? 0.509 0.573 0.638 0.036  0.080  -0.049 168 VAL HHH HG11 
2285 H HG12 . VAL A 160 ? 0.508 0.567 0.614 0.042  0.062  -0.053 168 VAL HHH HG12 
2286 H HG13 . VAL A 160 ? 0.529 0.580 0.617 0.046  0.084  -0.045 168 VAL HHH HG13 
2287 H HG21 . VAL A 160 ? 0.508 0.549 0.566 0.044  0.051  -0.042 168 VAL HHH HG21 
2288 H HG22 . VAL A 160 ? 0.490 0.539 0.575 0.038  0.039  -0.049 168 VAL HHH HG22 
2289 H HG23 . VAL A 160 ? 0.486 0.530 0.564 0.032  0.041  -0.041 168 VAL HHH HG23 
2290 N N    . SER A 161 ? 0.492 0.537 0.608 0.031  0.120  -0.029 169 SER HHH N    
2291 C CA   . SER A 161 ? 0.511 0.566 0.665 0.025  0.138  -0.032 169 SER HHH CA   
2292 C C    . SER A 161 ? 0.520 0.579 0.676 0.034  0.147  -0.038 169 SER HHH C    
2293 O O    . SER A 161 ? 0.544 0.598 0.667 0.045  0.141  -0.038 169 SER HHH O    
2294 C CB   . SER A 161 ? 0.563 0.605 0.714 0.023  0.163  -0.022 169 SER HHH CB   
2295 O OG   . SER A 161 ? 0.638 0.665 0.751 0.036  0.181  -0.013 169 SER HHH OG   
2296 H H    . SER A 161 ? 0.516 0.554 0.608 0.039  0.126  -0.026 169 SER HHH H    
2297 H HA   . SER A 161 ? 0.495 0.560 0.676 0.018  0.128  -0.038 169 SER HHH HA   
2298 H HB2  . SER A 161 ? 0.563 0.612 0.746 0.017  0.174  -0.025 169 SER HHH HB2  
2299 H HB3  . SER A 161 ? 0.559 0.596 0.702 0.019  0.156  -0.018 169 SER HHH HB3  
2301 N N    . TRP A 162 ? 0.477 0.549 0.674 0.029  0.160  -0.043 170 TRP HHH N    
2302 C CA   . TRP A 162 ? 0.496 0.574 0.700 0.036  0.172  -0.049 170 TRP HHH CA   
2303 C C    . TRP A 162 ? 0.520 0.593 0.736 0.036  0.208  -0.043 170 TRP HHH C    
2304 O O    . TRP A 162 ? 0.527 0.603 0.775 0.025  0.218  -0.042 170 TRP HHH O    
2305 C CB   . TRP A 162 ? 0.479 0.578 0.724 0.032  0.155  -0.064 170 TRP HHH CB   
2306 C CG   . TRP A 162 ? 0.458 0.557 0.684 0.035  0.126  -0.068 170 TRP HHH CG   
2307 C CD1  . TRP A 162 ? 0.451 0.549 0.675 0.030  0.104  -0.068 170 TRP HHH CD1  
2308 C CD2  . TRP A 162 ? 0.477 0.575 0.682 0.046  0.117  -0.072 170 TRP HHH CD2  
2309 N NE1  . TRP A 162 ? 0.437 0.532 0.642 0.036  0.084  -0.071 170 TRP HHH NE1  
2310 C CE2  . TRP A 162 ? 0.456 0.551 0.650 0.045  0.091  -0.074 170 TRP HHH CE2  
2311 C CE3  . TRP A 162 ? 0.492 0.589 0.686 0.057  0.130  -0.074 170 TRP HHH CE3  
2312 C CZ2  . TRP A 162 ? 0.473 0.565 0.651 0.053  0.077  -0.079 170 TRP HHH CZ2  
2313 C CZ3  . TRP A 162 ? 0.505 0.600 0.680 0.065  0.115  -0.080 170 TRP HHH CZ3  
2314 C CH2  . TRP A 162 ? 0.487 0.580 0.657 0.063  0.088  -0.083 170 TRP HHH CH2  
2315 H H    . TRP A 162 ? 0.480 0.557 0.703 0.021  0.163  -0.045 170 TRP HHH H    
2316 H HA   . TRP A 162 ? 0.505 0.577 0.679 0.045  0.168  -0.048 170 TRP HHH HA   
2317 H HB2  . TRP A 162 ? 0.465 0.571 0.738 0.024  0.154  -0.066 170 TRP HHH HB2  
2318 H HB3  . TRP A 162 ? 0.484 0.589 0.741 0.036  0.166  -0.068 170 TRP HHH HB3  
2319 H HD1  . TRP A 162 ? 0.440 0.539 0.675 0.023  0.103  -0.066 170 TRP HHH HD1  
2320 H HE1  . TRP A 162 ? 0.431 0.525 0.632 0.034  0.070  -0.071 170 TRP HHH HE1  
2321 H HE3  . TRP A 162 ? 0.509 0.606 0.709 0.058  0.150  -0.072 170 TRP HHH HE3  
2322 H HZ2  . TRP A 162 ? 0.459 0.548 0.631 0.052  0.062  -0.080 170 TRP HHH HZ2  
2323 H HZ3  . TRP A 162 ? 0.515 0.610 0.683 0.073  0.122  -0.083 170 TRP HHH HZ3  
2324 H HH2  . TRP A 162 ? 0.489 0.580 0.648 0.069  0.079  -0.087 170 TRP HHH HH2  
2325 N N    . ASN A 163 ? 0.556 0.622 0.749 0.048  0.227  -0.039 171 ASN HHH N    
2326 C CA   . ASN A 163 ? 0.584 0.642 0.786 0.050  0.266  -0.032 171 ASN HHH CA   
2327 C C    . ASN A 163 ? 0.609 0.652 0.809 0.042  0.280  -0.020 171 ASN HHH C    
2328 O O    . ASN A 163 ? 0.582 0.629 0.827 0.031  0.301  -0.020 171 ASN HHH O    
2329 C CB   . ASN A 163 ? 0.573 0.652 0.834 0.042  0.275  -0.044 171 ASN HHH CB   
2330 C CG   . ASN A 163 ? 0.551 0.643 0.810 0.051  0.261  -0.056 171 ASN HHH CG   
2331 O OD1  . ASN A 163 ? 0.569 0.652 0.782 0.063  0.246  -0.054 171 ASN HHH OD1  
2332 N ND2  . ASN A 163 ? 0.549 0.662 0.858 0.047  0.264  -0.068 171 ASN HHH ND2  
2333 H H    . ASN A 163 ? 0.558 0.621 0.726 0.057  0.218  -0.041 171 ASN HHH H    
2334 H HA   . ASN A 163 ? 0.611 0.658 0.779 0.062  0.275  -0.027 171 ASN HHH HA   
2335 H HB2  . ASN A 163 ? 0.547 0.638 0.842 0.032  0.264  -0.051 171 ASN HHH HB2  
2336 H HB3  . ASN A 163 ? 0.590 0.664 0.860 0.042  0.303  -0.039 171 ASN HHH HB3  
2339 N N    . SER A 164 ? 0.630 0.657 0.785 0.047  0.267  -0.011 172 SER HHH N    
2340 C CA   . SER A 164 ? 0.684 0.693 0.825 0.043  0.278  0.001  172 SER HHH CA   
2341 C C    . SER A 164 ? 0.673 0.694 0.869 0.024  0.274  -0.004 172 SER HHH C    
2342 O O    . SER A 164 ? 0.704 0.712 0.907 0.019  0.295  0.005  172 SER HHH O    
2343 C CB   . SER A 164 ? 0.726 0.712 0.843 0.053  0.317  0.016  172 SER HHH CB   
2344 O OG   . SER A 164 ? 0.750 0.726 0.818 0.073  0.320  0.018  172 SER HHH OG   
2345 H H    . SER A 164 ? 0.632 0.658 0.761 0.054  0.250  -0.013 172 SER HHH H    
2346 H HA   . SER A 164 ? 0.674 0.677 0.784 0.048  0.261  0.004  172 SER HHH HA   
2347 H HB2  . SER A 164 ? 0.729 0.720 0.882 0.046  0.336  0.014  172 SER HHH HB2  
2348 H HB3  . SER A 164 ? 0.736 0.707 0.835 0.053  0.321  0.025  172 SER HHH HB3  
2350 N N    . GLY A 165 ? 0.649 0.694 0.880 0.016  0.248  -0.019 173 GLY HHH N    
2351 C CA   . GLY A 165 ? 0.603 0.661 0.884 0.001  0.239  -0.028 173 GLY HHH CA   
2352 C C    . GLY A 165 ? 0.590 0.665 0.933 -0.007 0.257  -0.039 173 GLY HHH C    
2353 O O    . GLY A 165 ? 0.615 0.702 1.002 -0.019 0.249  -0.049 173 GLY HHH O    
2354 H H    . GLY A 165 ? 0.632 0.684 0.856 0.020  0.233  -0.025 173 GLY HHH H    
2355 H HA2  . GLY A 165 ? 0.584 0.651 0.866 -0.001 0.214  -0.034 173 GLY HHH HA2  
2356 H HA3  . GLY A 165 ? 0.612 0.658 0.886 -0.003 0.246  -0.020 173 GLY HHH HA3  
2357 N N    . ALA A 166 ? 0.577 0.653 0.923 -0.001 0.279  -0.039 174 ALA HHH N    
2358 C CA   . ALA A 166 ? 0.589 0.685 0.998 -0.008 0.293  -0.052 174 ALA HHH CA   
2359 C C    . ALA A 166 ? 0.560 0.683 1.001 -0.010 0.259  -0.072 174 ALA HHH C    
2360 O O    . ALA A 166 ? 0.557 0.701 1.059 -0.018 0.261  -0.087 174 ALA HHH O    
2361 C CB   . ALA A 166 ? 0.609 0.699 1.007 0.002  0.323  -0.047 174 ALA HHH CB   
2362 H H    . ALA A 166 ? 0.606 0.670 0.916 0.008  0.286  -0.031 174 ALA HHH H    
2363 H HA   . ALA A 166 ? 0.587 0.683 1.027 -0.017 0.306  -0.053 174 ALA HHH HA   
2364 H HB1  . ALA A 166 ? 0.611 0.714 1.054 -0.003 0.335  -0.056 174 ALA HHH HB1  
2365 H HB2  . ALA A 166 ? 0.637 0.708 1.009 0.005  0.344  -0.034 174 ALA HHH HB2  
2366 H HB3  . ALA A 166 ? 0.609 0.702 0.981 0.011  0.309  -0.048 174 ALA HHH HB3  
2367 N N    . LEU A 167 ? 0.530 0.652 0.931 -0.001 0.231  -0.072 175 LEU HHH N    
2368 C CA   . LEU A 167 ? 0.488 0.631 0.910 0.001  0.201  -0.088 175 LEU HHH CA   
2369 C C    . LEU A 167 ? 0.467 0.608 0.874 -0.002 0.169  -0.089 175 LEU HHH C    
2370 O O    . LEU A 167 ? 0.453 0.579 0.811 0.003  0.159  -0.078 175 LEU HHH O    
2371 C CB   . LEU A 167 ? 0.487 0.627 0.875 0.014  0.197  -0.087 175 LEU HHH CB   
2372 C CG   . LEU A 167 ? 0.459 0.614 0.857 0.018  0.166  -0.100 175 LEU HHH CG   
2373 C CD1  . LEU A 167 ? 0.451 0.630 0.912 0.014  0.165  -0.118 175 LEU HHH CD1  
2374 C CD2  . LEU A 167 ? 0.482 0.631 0.844 0.030  0.163  -0.098 175 LEU HHH CD2  
2375 H H    . LEU A 167 ? 0.537 0.645 0.897 0.004  0.228  -0.062 175 LEU HHH H    
2376 H HA   . LEU A 167 ? 0.485 0.643 0.952 -0.004 0.205  -0.099 175 LEU HHH HA   
2377 H HB2  . LEU A 167 ? 0.501 0.644 0.901 0.016  0.218  -0.087 175 LEU HHH HB2  
2378 H HB3  . LEU A 167 ? 0.495 0.620 0.842 0.018  0.196  -0.076 175 LEU HHH HB3  
2379 H HG   . LEU A 167 ? 0.451 0.603 0.836 0.016  0.147  -0.098 175 LEU HHH HG   
2380 H HD11 . LEU A 167 ? 0.441 0.625 0.922 0.007  0.159  -0.121 175 LEU HHH HD11 
2381 H HD12 . LEU A 167 ? 0.443 0.630 0.906 0.019  0.148  -0.125 175 LEU HHH HD12 
2382 H HD13 . LEU A 167 ? 0.462 0.645 0.942 0.013  0.187  -0.118 175 LEU HHH HD13 
2383 H HD21 . LEU A 167 ? 0.494 0.643 0.858 0.033  0.184  -0.096 175 LEU HHH HD21 
2384 H HD22 . LEU A 167 ? 0.468 0.627 0.843 0.033  0.148  -0.107 175 LEU HHH HD22 
2385 H HD23 . LEU A 167 ? 0.481 0.617 0.806 0.033  0.157  -0.090 175 LEU HHH HD23 
2386 N N    . THR A 168 ? 0.465 0.622 0.915 -0.008 0.153  -0.102 176 THR HHH N    
2387 C CA   . THR A 168 ? 0.440 0.596 0.881 -0.011 0.126  -0.104 176 THR HHH CA   
2388 C C    . THR A 168 ? 0.413 0.587 0.878 -0.006 0.098  -0.121 176 THR HHH C    
2389 O O    . THR A 168 ? 0.405 0.573 0.840 -0.001 0.074  -0.118 176 THR HHH O    
2390 C CB   . THR A 168 ? 0.426 0.581 0.893 -0.021 0.135  -0.104 176 THR HHH CB   
2391 O OG1  . THR A 168 ? 0.439 0.611 0.968 -0.027 0.149  -0.119 176 THR HHH OG1  
2392 C CG2  . THR A 168 ? 0.465 0.597 0.898 -0.024 0.157  -0.086 176 THR HHH CG2  
2393 H H    . THR A 168 ? 0.458 0.629 0.947 -0.011 0.159  -0.112 176 THR HHH H    
2394 H HA   . THR A 168 ? 0.438 0.581 0.838 -0.007 0.120  -0.094 176 THR HHH HA   
2395 H HB   . THR A 168 ? 0.424 0.581 0.890 -0.022 0.115  -0.108 176 THR HHH HB   
2397 H HG21 . THR A 168 ? 0.456 0.578 0.851 -0.020 0.146  -0.078 176 THR HHH HG21 
2398 H HG22 . THR A 168 ? 0.458 0.589 0.910 -0.031 0.162  -0.086 176 THR HHH HG22 
2399 H HG23 . THR A 168 ? 0.472 0.600 0.903 -0.022 0.177  -0.081 176 THR HHH HG23 
2400 N N    . SER A 169 ? 0.429 0.623 0.945 -0.006 0.102  -0.137 177 SER HHH N    
2401 C CA   . SER A 169 ? 0.440 0.652 0.982 0.001  0.077  -0.155 177 SER HHH CA   
2402 C C    . SER A 169 ? 0.426 0.632 0.929 0.013  0.062  -0.151 177 SER HHH C    
2403 O O    . SER A 169 ? 0.427 0.628 0.916 0.016  0.079  -0.145 177 SER HHH O    
2404 C CB   . SER A 169 ? 0.437 0.672 1.042 -0.001 0.091  -0.172 177 SER HHH CB   
2405 O OG   . SER A 169 ? 0.485 0.735 1.105 0.009  0.071  -0.187 177 SER HHH OG   
2406 H H    . SER A 169 ? 0.436 0.634 0.978 -0.011 0.121  -0.138 177 SER HHH H    
2407 H HA   . SER A 169 ? 0.425 0.640 0.972 0.001  0.060  -0.160 177 SER HHH HA   
2408 H HB2  . SER A 169 ? 0.447 0.690 1.084 -0.007 0.091  -0.180 177 SER HHH HB2  
2409 H HB3  . SER A 169 ? 0.459 0.690 1.064 -0.004 0.114  -0.165 177 SER HHH HB3  
2411 N N    . GLY A 170 ? 0.431 0.633 0.914 0.020  0.034  -0.153 178 GLY HHH N    
2412 C CA   . GLY A 170 ? 0.412 0.607 0.864 0.031  0.018  -0.150 178 GLY HHH CA   
2413 C C    . GLY A 170 ? 0.407 0.578 0.803 0.031  0.020  -0.132 178 GLY HHH C    
2414 O O    . GLY A 170 ? 0.410 0.572 0.780 0.039  0.008  -0.129 178 GLY HHH O    
2415 H H    . GLY A 170 ? 0.419 0.622 0.907 0.019  0.023  -0.156 178 GLY HHH H    
2416 H HA2  . GLY A 170 ? 0.413 0.610 0.868 0.037  -0.001 -0.157 178 GLY HHH HA2  
2417 H HA3  . GLY A 170 ? 0.419 0.621 0.883 0.034  0.026  -0.155 178 GLY HHH HA3  
2418 N N    . VAL A 171 ? 0.398 0.559 0.779 0.022  0.033  -0.121 179 VAL HHH N    
2419 C CA   . VAL A 171 ? 0.385 0.526 0.717 0.022  0.035  -0.105 179 VAL HHH CA   
2420 C C    . VAL A 171 ? 0.375 0.506 0.684 0.024  0.013  -0.101 179 VAL HHH C    
2421 O O    . VAL A 171 ? 0.364 0.498 0.684 0.020  0.007  -0.103 179 VAL HHH O    
2422 C CB   . VAL A 171 ? 0.387 0.520 0.709 0.015  0.057  -0.094 179 VAL HHH CB   
2423 C CG1  . VAL A 171 ? 0.402 0.517 0.677 0.016  0.055  -0.081 179 VAL HHH CG1  
2424 C CG2  . VAL A 171 ? 0.402 0.541 0.740 0.014  0.083  -0.095 179 VAL HHH CG2  
2425 H H    . VAL A 171 ? 0.395 0.561 0.795 0.016  0.042  -0.122 179 VAL HHH H    
2426 H HA   . VAL A 171 ? 0.391 0.530 0.712 0.027  0.037  -0.104 179 VAL HHH HA   
2427 H HB   . VAL A 171 ? 0.386 0.522 0.723 0.009  0.056  -0.096 179 VAL HHH HB   
2428 H HG11 . VAL A 171 ? 0.391 0.503 0.660 0.013  0.044  -0.079 179 VAL HHH HG11 
2429 H HG12 . VAL A 171 ? 0.406 0.516 0.672 0.014  0.070  -0.075 179 VAL HHH HG12 
2430 H HG13 . VAL A 171 ? 0.400 0.512 0.660 0.021  0.048  -0.081 179 VAL HHH HG13 
2431 H HG21 . VAL A 171 ? 0.407 0.543 0.730 0.020  0.084  -0.094 179 VAL HHH HG21 
2432 H HG22 . VAL A 171 ? 0.408 0.539 0.738 0.011  0.097  -0.087 179 VAL HHH HG22 
2433 H HG23 . VAL A 171 ? 0.399 0.550 0.772 0.013  0.085  -0.104 179 VAL HHH HG23 
2434 N N    . HIS A 172 ? 0.370 0.489 0.648 0.029  0.004  -0.096 180 HIS HHH N    
2435 C CA   . HIS A 172 ? 0.373 0.478 0.624 0.030  -0.011 -0.088 180 HIS HHH CA   
2436 C C    . HIS A 172 ? 0.400 0.492 0.619 0.027  -0.004 -0.077 180 HIS HHH C    
2437 O O    . HIS A 172 ? 0.402 0.490 0.611 0.032  -0.002 -0.078 180 HIS HHH O    
2438 C CB   . HIS A 172 ? 0.368 0.469 0.615 0.039  -0.029 -0.093 180 HIS HHH CB   
2439 C CG   . HIS A 172 ? 0.352 0.466 0.627 0.045  -0.040 -0.105 180 HIS HHH CG   
2440 N ND1  . HIS A 172 ? 0.332 0.452 0.620 0.042  -0.046 -0.109 180 HIS HHH ND1  
2441 C CD2  . HIS A 172 ? 0.353 0.477 0.649 0.053  -0.047 -0.117 180 HIS HHH CD2  
2442 C CE1  . HIS A 172 ? 0.332 0.465 0.647 0.050  -0.058 -0.123 180 HIS HHH CE1  
2443 N NE2  . HIS A 172 ? 0.346 0.482 0.666 0.057  -0.059 -0.128 180 HIS HHH NE2  
2444 H H    . HIS A 172 ? 0.378 0.495 0.649 0.033  0.006  -0.096 180 HIS HHH H    
2445 H HA   . HIS A 172 ? 0.371 0.478 0.628 0.026  -0.012 -0.088 180 HIS HHH HA   
2446 H HB2  . HIS A 172 ? 0.370 0.469 0.613 0.043  -0.028 -0.094 180 HIS HHH HB2  
2447 H HB3  . HIS A 172 ? 0.367 0.457 0.594 0.039  -0.036 -0.086 180 HIS HHH HB3  
2449 H HD2  . HIS A 172 ? 0.356 0.479 0.650 0.057  -0.046 -0.118 180 HIS HHH HD2  
2450 H HE1  . HIS A 172 ? 0.335 0.475 0.664 0.051  -0.065 -0.130 180 HIS HHH HE1  
2452 N N    . THR A 173 ? 0.380 0.465 0.585 0.021  -0.001 -0.069 181 THR HHH N    
2453 C CA   . THR A 173 ? 0.390 0.463 0.566 0.020  0.002  -0.061 181 THR HHH CA   
2454 C C    . THR A 173 ? 0.393 0.456 0.554 0.020  -0.012 -0.057 181 THR HHH C    
2455 O O    . THR A 173 ? 0.357 0.421 0.523 0.017  -0.016 -0.055 181 THR HHH O    
2456 C CB   . THR A 173 ? 0.417 0.489 0.586 0.016  0.017  -0.055 181 THR HHH CB   
2457 O OG1  . THR A 173 ? 0.437 0.515 0.616 0.018  0.032  -0.058 181 THR HHH OG1  
2458 C CG2  . THR A 173 ? 0.423 0.483 0.562 0.016  0.017  -0.048 181 THR HHH CG2  
2459 H H    . THR A 173 ? 0.382 0.470 0.596 0.018  -0.001 -0.070 181 THR HHH H    
2460 H HA   . THR A 173 ? 0.399 0.470 0.569 0.024  0.003  -0.063 181 THR HHH HA   
2461 H HB   . THR A 173 ? 0.411 0.485 0.589 0.012  0.017  -0.055 181 THR HHH HB   
2463 H HG21 . THR A 173 ? 0.417 0.473 0.551 0.014  0.010  -0.045 181 THR HHH HG21 
2464 H HG22 . THR A 173 ? 0.429 0.487 0.561 0.016  0.027  -0.045 181 THR HHH HG22 
2465 H HG23 . THR A 173 ? 0.425 0.483 0.557 0.021  0.013  -0.050 181 THR HHH HG23 
2466 N N    . PHE A 174 ? 0.371 0.425 0.519 0.024  -0.018 -0.056 182 PHE HHH N    
2467 C CA   . PHE A 174 ? 0.387 0.430 0.525 0.025  -0.029 -0.052 182 PHE HHH CA   
2468 C C    . PHE A 174 ? 0.414 0.449 0.535 0.019  -0.027 -0.045 182 PHE HHH C    
2469 O O    . PHE A 174 ? 0.392 0.428 0.505 0.017  -0.020 -0.044 182 PHE HHH O    
2470 C CB   . PHE A 174 ? 0.399 0.434 0.534 0.030  -0.034 -0.055 182 PHE HHH CB   
2471 C CG   . PHE A 174 ? 0.398 0.439 0.548 0.037  -0.038 -0.062 182 PHE HHH CG   
2472 C CD1  . PHE A 174 ? 0.383 0.435 0.547 0.039  -0.032 -0.069 182 PHE HHH CD1  
2473 C CD2  . PHE A 174 ? 0.407 0.442 0.557 0.043  -0.049 -0.061 182 PHE HHH CD2  
2474 C CE1  . PHE A 174 ? 0.385 0.445 0.566 0.046  -0.037 -0.077 182 PHE HHH CE1  
2475 C CE2  . PHE A 174 ? 0.370 0.412 0.535 0.051  -0.055 -0.070 182 PHE HHH CE2  
2476 C CZ   . PHE A 174 ? 0.381 0.436 0.563 0.052  -0.049 -0.078 182 PHE HHH CZ   
2477 H H    . PHE A 174 ? 0.384 0.438 0.529 0.026  -0.015 -0.058 182 PHE HHH H    
2478 H HA   . PHE A 174 ? 0.390 0.434 0.533 0.026  -0.034 -0.053 182 PHE HHH HA   
2479 H HB2  . PHE A 174 ? 0.398 0.433 0.530 0.030  -0.030 -0.056 182 PHE HHH HB2  
2480 H HB3  . PHE A 174 ? 0.400 0.425 0.527 0.030  -0.038 -0.051 182 PHE HHH HB3  
2481 H HD1  . PHE A 174 ? 0.385 0.440 0.545 0.037  -0.025 -0.069 182 PHE HHH HD1  
2482 H HD2  . PHE A 174 ? 0.398 0.424 0.537 0.042  -0.051 -0.056 182 PHE HHH HD2  
2483 H HE1  . PHE A 174 ? 0.384 0.452 0.575 0.047  -0.032 -0.082 182 PHE HHH HE1  
2484 H HE2  . PHE A 174 ? 0.391 0.428 0.553 0.057  -0.063 -0.070 182 PHE HHH HE2  
2485 H HZ   . PHE A 174 ? 0.385 0.445 0.579 0.057  -0.054 -0.084 182 PHE HHH HZ   
2486 N N    . PRO A 175 ? 0.417 0.444 0.531 0.018  -0.032 -0.039 183 PRO HHH N    
2487 C CA   . PRO A 175 ? 0.433 0.452 0.533 0.014  -0.031 -0.034 183 PRO HHH CA   
2488 C C    . PRO A 175 ? 0.411 0.425 0.508 0.014  -0.030 -0.036 183 PRO HHH C    
2489 O O    . PRO A 175 ? 0.426 0.435 0.527 0.018  -0.033 -0.039 183 PRO HHH O    
2490 C CB   . PRO A 175 ? 0.441 0.449 0.533 0.015  -0.036 -0.028 183 PRO HHH CB   
2491 C CG   . PRO A 175 ? 0.436 0.449 0.536 0.021  -0.042 -0.032 183 PRO HHH CG   
2492 C CD   . PRO A 175 ? 0.423 0.446 0.538 0.023  -0.041 -0.039 183 PRO HHH CD   
2493 H HA   . PRO A 175 ? 0.421 0.444 0.519 0.011  -0.027 -0.032 183 PRO HHH HA   
2494 H HB2  . PRO A 175 ? 0.444 0.444 0.534 0.017  -0.037 -0.027 183 PRO HHH HB2  
2495 H HB3  . PRO A 175 ? 0.435 0.443 0.522 0.012  -0.035 -0.024 183 PRO HHH HB3  
2496 H HG2  . PRO A 175 ? 0.443 0.448 0.537 0.026  -0.047 -0.030 183 PRO HHH HG2  
2497 H HG3  . PRO A 175 ? 0.430 0.449 0.533 0.019  -0.042 -0.032 183 PRO HHH HG3  
2498 H HD2  . PRO A 175 ? 0.432 0.449 0.546 0.028  -0.044 -0.040 183 PRO HHH HD2  
2499 H HD3  . PRO A 175 ? 0.423 0.454 0.549 0.025  -0.042 -0.044 183 PRO HHH HD3  
2500 N N    . ALA A 176 ? 0.405 0.420 0.495 0.011  -0.027 -0.036 184 ALA HHH N    
2501 C CA   . ALA A 176 ? 0.406 0.418 0.495 0.012  -0.028 -0.040 184 ALA HHH CA   
2502 C C    . ALA A 176 ? 0.419 0.419 0.513 0.010  -0.030 -0.038 184 ALA HHH C    
2503 O O    . ALA A 176 ? 0.394 0.388 0.485 0.008  -0.030 -0.031 184 ALA HHH O    
2504 C CB   . ALA A 176 ? 0.418 0.434 0.498 0.011  -0.026 -0.041 184 ALA HHH CB   
2505 H H    . ALA A 176 ? 0.402 0.420 0.488 0.009  -0.024 -0.033 184 ALA HHH H    
2506 H HA   . ALA A 176 ? 0.414 0.428 0.507 0.016  -0.028 -0.045 184 ALA HHH HA   
2507 H HB1  . ALA A 176 ? 0.418 0.434 0.499 0.014  -0.028 -0.047 184 ALA HHH HB1  
2508 H HB2  . ALA A 176 ? 0.413 0.434 0.489 0.013  -0.022 -0.040 184 ALA HHH HB2  
2509 H HB3  . ALA A 176 ? 0.411 0.424 0.490 0.008  -0.026 -0.038 184 ALA HHH HB3  
2510 N N    . VAL A 177 ? 0.416 0.412 0.519 0.011  -0.032 -0.045 185 VAL HHH N    
2511 C CA   . VAL A 177 ? 0.434 0.417 0.545 0.008  -0.031 -0.044 185 VAL HHH CA   
2512 C C    . VAL A 177 ? 0.429 0.417 0.547 0.006  -0.033 -0.052 185 VAL HHH C    
2513 O O    . VAL A 177 ? 0.411 0.410 0.526 0.010  -0.036 -0.061 185 VAL HHH O    
2514 C CB   . VAL A 177 ? 0.450 0.423 0.569 0.012  -0.032 -0.047 185 VAL HHH CB   
2515 C CG1  . VAL A 177 ? 0.478 0.448 0.590 0.017  -0.033 -0.041 185 VAL HHH CG1  
2516 C CG2  . VAL A 177 ? 0.444 0.424 0.571 0.016  -0.036 -0.059 185 VAL HHH CG2  
2517 H H    . VAL A 177 ? 0.423 0.423 0.526 0.015  -0.033 -0.051 185 VAL HHH H    
2518 H HA   . VAL A 177 ? 0.433 0.410 0.540 0.006  -0.029 -0.037 185 VAL HHH HA   
2519 H HB   . VAL A 177 ? 0.459 0.421 0.584 0.010  -0.030 -0.045 185 VAL HHH HB   
2520 H HG11 . VAL A 177 ? 0.470 0.437 0.574 0.016  -0.032 -0.034 185 VAL HHH HG11 
2521 H HG12 . VAL A 177 ? 0.480 0.440 0.595 0.020  -0.034 -0.041 185 VAL HHH HG12 
2522 H HG13 . VAL A 177 ? 0.465 0.445 0.575 0.019  -0.035 -0.044 185 VAL HHH HG13 
2523 H HG21 . VAL A 177 ? 0.442 0.431 0.562 0.019  -0.037 -0.061 185 VAL HHH HG21 
2524 H HG22 . VAL A 177 ? 0.454 0.426 0.585 0.018  -0.037 -0.061 185 VAL HHH HG22 
2525 H HG23 . VAL A 177 ? 0.447 0.428 0.579 0.014  -0.037 -0.065 185 VAL HHH HG23 
2526 N N    . LEU A 178 ? 0.464 0.445 0.591 0.000  -0.029 -0.050 186 LEU HHH N    
2527 C CA   . LEU A 178 ? 0.441 0.426 0.582 -0.002 -0.031 -0.060 186 LEU HHH CA   
2528 C C    . LEU A 178 ? 0.431 0.409 0.594 -0.003 -0.032 -0.068 186 LEU HHH C    
2529 O O    . LEU A 178 ? 0.417 0.379 0.587 -0.007 -0.024 -0.061 186 LEU HHH O    
2530 C CB   . LEU A 178 ? 0.417 0.400 0.560 -0.008 -0.026 -0.053 186 LEU HHH CB   
2531 C CG   . LEU A 178 ? 0.436 0.426 0.599 -0.011 -0.029 -0.065 186 LEU HHH CG   
2532 C CD1  . LEU A 178 ? 0.462 0.467 0.618 -0.004 -0.039 -0.078 186 LEU HHH CD1  
2533 C CD2  . LEU A 178 ? 0.426 0.417 0.590 -0.016 -0.023 -0.058 186 LEU HHH CD2  
2534 H H    . LEU A 178 ? 0.453 0.426 0.578 -0.001 -0.026 -0.042 186 LEU HHH H    
2535 H HA   . LEU A 178 ? 0.434 0.430 0.570 0.001  -0.036 -0.066 186 LEU HHH HA   
2536 H HB2  . LEU A 178 ? 0.420 0.408 0.550 -0.007 -0.026 -0.048 186 LEU HHH HB2  
2537 H HB3  . LEU A 178 ? 0.432 0.404 0.578 -0.011 -0.020 -0.046 186 LEU HHH HB3  
2538 H HG   . LEU A 178 ? 0.442 0.427 0.624 -0.013 -0.027 -0.070 186 LEU HHH HG   
2539 H HD11 . LEU A 178 ? 0.458 0.463 0.620 -0.001 -0.043 -0.086 186 LEU HHH HD11 
2540 H HD12 . LEU A 178 ? 0.452 0.463 0.617 -0.005 -0.042 -0.084 186 LEU HHH HD12 
2541 H HD13 . LEU A 178 ? 0.449 0.458 0.587 -0.001 -0.039 -0.072 186 LEU HHH HD13 
2542 H HD21 . LEU A 178 ? 0.422 0.418 0.570 -0.014 -0.025 -0.054 186 LEU HHH HD21 
2543 H HD22 . LEU A 178 ? 0.428 0.424 0.608 -0.018 -0.025 -0.067 186 LEU HHH HD22 
2544 H HD23 . LEU A 178 ? 0.433 0.412 0.597 -0.019 -0.015 -0.049 186 LEU HHH HD23 
2545 N N    . GLN A 179 ? 0.426 0.411 0.595 0.002  -0.039 -0.083 187 GLN HHH N    
2546 C CA   . GLN A 179 ? 0.453 0.432 0.646 0.001  -0.041 -0.095 187 GLN HHH CA   
2547 C C    . GLN A 179 ? 0.454 0.431 0.675 -0.006 -0.039 -0.103 187 GLN HHH C    
2548 O O    . GLN A 179 ? 0.432 0.417 0.652 -0.009 -0.038 -0.101 187 GLN HHH O    
2549 C CB   . GLN A 179 ? 0.483 0.472 0.671 0.011  -0.051 -0.110 187 GLN HHH CB   
2550 C CG   . GLN A 179 ? 0.477 0.468 0.642 0.017  -0.051 -0.103 187 GLN HHH CG   
2551 C CD   . GLN A 179 ? 0.506 0.508 0.661 0.028  -0.058 -0.116 187 GLN HHH CD   
2552 O OE1  . GLN A 179 ? 0.532 0.533 0.691 0.033  -0.061 -0.124 187 GLN HHH OE1  
2553 N NE2  . GLN A 179 ? 0.527 0.539 0.668 0.032  -0.062 -0.120 187 GLN HHH NE2  
2554 H H    . GLN A 179 ? 0.429 0.424 0.588 0.006  -0.044 -0.087 187 GLN HHH H    
2555 H HA   . GLN A 179 ? 0.459 0.427 0.652 0.000  -0.036 -0.088 187 GLN HHH HA   
2556 H HB2  . GLN A 179 ? 0.473 0.472 0.658 0.013  -0.056 -0.116 187 GLN HHH HB2  
2557 H HB3  . GLN A 179 ? 0.483 0.468 0.688 0.010  -0.053 -0.119 187 GLN HHH HB3  
2558 H HG2  . GLN A 179 ? 0.487 0.470 0.658 0.017  -0.048 -0.100 187 GLN HHH HG2  
2559 H HG3  . GLN A 179 ? 0.476 0.470 0.628 0.016  -0.047 -0.093 187 GLN HHH HG3  
2562 N N    . SER A 180 ? 0.449 0.416 0.698 -0.009 -0.036 -0.110 188 SER HHH N    
2563 C CA   . SER A 180 ? 0.477 0.441 0.762 -0.018 -0.031 -0.119 188 SER HHH CA   
2564 C C    . SER A 180 ? 0.472 0.457 0.771 -0.014 -0.046 -0.141 188 SER HHH C    
2565 O O    . SER A 180 ? 0.484 0.474 0.810 -0.019 -0.044 -0.149 188 SER HHH O    
2566 C CB   . SER A 180 ? 0.512 0.458 0.825 -0.022 -0.023 -0.121 188 SER HHH CB   
2567 O OG   . SER A 180 ? 0.531 0.479 0.849 -0.016 -0.034 -0.136 188 SER HHH OG   
2568 H H    . SER A 180 ? 0.464 0.424 0.714 -0.007 -0.036 -0.111 188 SER HHH H    
2569 H HA   . SER A 180 ? 0.473 0.434 0.754 -0.022 -0.024 -0.108 188 SER HHH HA   
2570 H HB2  . SER A 180 ? 0.514 0.458 0.853 -0.029 -0.018 -0.127 188 SER HHH HB2  
2571 H HB3  . SER A 180 ? 0.516 0.447 0.815 -0.023 -0.014 -0.106 188 SER HHH HB3  
2573 N N    . SER A 181 ? 0.457 0.454 0.736 -0.002 -0.059 -0.150 189 SER HHH N    
2574 C CA   . SER A 181 ? 0.460 0.476 0.738 0.007  -0.074 -0.169 189 SER HHH CA   
2575 C C    . SER A 181 ? 0.423 0.448 0.683 0.007  -0.073 -0.161 189 SER HHH C    
2576 O O    . SER A 181 ? 0.444 0.482 0.706 0.014  -0.085 -0.176 189 SER HHH O    
2577 C CB   . SER A 181 ? 0.470 0.491 0.723 0.020  -0.084 -0.177 189 SER HHH CB   
2578 O OG   . SER A 181 ? 0.469 0.488 0.684 0.024  -0.078 -0.158 189 SER HHH OG   
2579 H H    . SER A 181 ? 0.463 0.456 0.727 0.001  -0.059 -0.146 189 SER HHH H    
2580 H HA   . SER A 181 ? 0.459 0.477 0.768 0.004  -0.077 -0.184 189 SER HHH HA   
2581 H HB2  . SER A 181 ? 0.475 0.506 0.727 0.028  -0.094 -0.191 189 SER HHH HB2  
2582 H HB3  . SER A 181 ? 0.476 0.491 0.741 0.020  -0.084 -0.182 189 SER HHH HB3  
2584 N N    . GLY A 182 ? 0.395 0.412 0.638 0.001  -0.062 -0.140 190 GLY HHH N    
2585 C CA   . GLY A 182 ? 0.380 0.405 0.602 0.002  -0.062 -0.132 190 GLY HHH CA   
2586 C C    . GLY A 182 ? 0.383 0.412 0.565 0.013  -0.066 -0.126 190 GLY HHH C    
2587 O O    . GLY A 182 ? 0.370 0.404 0.533 0.015  -0.066 -0.119 190 GLY HHH O    
2588 H H    . GLY A 182 ? 0.398 0.405 0.640 -0.004 -0.054 -0.129 190 GLY HHH H    
2589 H HA2  . GLY A 182 ? 0.378 0.396 0.598 -0.004 -0.053 -0.118 190 GLY HHH HA2  
2590 H HA3  . GLY A 182 ? 0.383 0.417 0.618 0.004  -0.068 -0.143 190 GLY HHH HA3  
2591 N N    . LEU A 183 ? 0.400 0.427 0.572 0.019  -0.069 -0.129 191 LEU HHH N    
2592 C CA   . LEU A 183 ? 0.410 0.440 0.548 0.029  -0.069 -0.123 191 LEU HHH CA   
2593 C C    . LEU A 183 ? 0.406 0.427 0.535 0.023  -0.058 -0.106 191 LEU HHH C    
2594 O O    . LEU A 183 ? 0.390 0.403 0.535 0.017  -0.055 -0.104 191 LEU HHH O    
2595 C CB   . LEU A 183 ? 0.426 0.461 0.557 0.042  -0.078 -0.139 191 LEU HHH CB   
2596 C CG   . LEU A 183 ? 0.451 0.495 0.591 0.051  -0.092 -0.160 191 LEU HHH CG   
2597 C CD1  . LEU A 183 ? 0.481 0.528 0.607 0.067  -0.102 -0.175 191 LEU HHH CD1  
2598 C CD2  . LEU A 183 ? 0.458 0.507 0.580 0.055  -0.094 -0.156 191 LEU HHH CD2  
2599 H H    . LEU A 183 ? 0.403 0.427 0.590 0.018  -0.070 -0.135 191 LEU HHH H    
2600 H HA   . LEU A 183 ? 0.408 0.442 0.533 0.031  -0.069 -0.119 191 LEU HHH HA   
2601 H HB2  . LEU A 183 ? 0.431 0.461 0.574 0.040  -0.078 -0.142 191 LEU HHH HB2  
2602 H HB3  . LEU A 183 ? 0.433 0.468 0.541 0.049  -0.076 -0.134 191 LEU HHH HB3  
2603 H HG   . LEU A 183 ? 0.449 0.493 0.616 0.044  -0.094 -0.167 191 LEU HHH HG   
2604 H HD11 . LEU A 183 ? 0.478 0.521 0.617 0.064  -0.101 -0.178 191 LEU HHH HD11 
2605 H HD12 . LEU A 183 ? 0.486 0.540 0.617 0.075  -0.112 -0.190 191 LEU HHH HD12 
2606 H HD13 . LEU A 183 ? 0.483 0.529 0.581 0.074  -0.098 -0.167 191 LEU HHH HD13 
2607 H HD21 . LEU A 183 ? 0.457 0.504 0.554 0.059  -0.088 -0.146 191 LEU HHH HD21 
2608 H HD22 . LEU A 183 ? 0.466 0.522 0.588 0.065  -0.104 -0.171 191 LEU HHH HD22 
2609 H HD23 . LEU A 183 ? 0.445 0.494 0.581 0.046  -0.090 -0.151 191 LEU HHH HD23 
2610 N N    . TYR A 184 ? 0.405 0.429 0.510 0.026  -0.054 -0.095 192 TYR HHH N    
2611 C CA   . TYR A 184 ? 0.407 0.426 0.506 0.022  -0.046 -0.081 192 TYR HHH CA   
2612 C C    . TYR A 184 ? 0.441 0.460 0.535 0.030  -0.046 -0.086 192 TYR HHH C    
2613 O O    . TYR A 184 ? 0.419 0.443 0.503 0.040  -0.049 -0.096 192 TYR HHH O    
2614 C CB   . TYR A 184 ? 0.402 0.422 0.484 0.021  -0.040 -0.069 192 TYR HHH CB   
2615 C CG   . TYR A 184 ? 0.397 0.416 0.483 0.014  -0.039 -0.064 192 TYR HHH CG   
2616 C CD1  . TYR A 184 ? 0.381 0.394 0.474 0.007  -0.035 -0.054 192 TYR HHH CD1  
2617 C CD2  . TYR A 184 ? 0.423 0.447 0.504 0.017  -0.043 -0.069 192 TYR HHH CD2  
2618 C CE1  . TYR A 184 ? 0.384 0.395 0.479 0.001  -0.033 -0.049 192 TYR HHH CE1  
2619 C CE2  . TYR A 184 ? 0.414 0.438 0.500 0.011  -0.042 -0.065 192 TYR HHH CE2  
2620 C CZ   . TYR A 184 ? 0.419 0.437 0.513 0.003  -0.036 -0.054 192 TYR HHH CZ   
2621 O OH   . TYR A 184 ? 0.441 0.457 0.538 -0.002 -0.034 -0.049 192 TYR HHH OH   
2622 H H    . TYR A 184 ? 0.410 0.437 0.501 0.032  -0.055 -0.096 192 TYR HHH H    
2623 H HA   . TYR A 184 ? 0.407 0.420 0.518 0.016  -0.044 -0.078 192 TYR HHH HA   
2624 H HB2  . TYR A 184 ? 0.408 0.432 0.477 0.027  -0.040 -0.072 192 TYR HHH HB2  
2625 H HB3  . TYR A 184 ? 0.399 0.418 0.480 0.019  -0.036 -0.063 192 TYR HHH HB3  
2626 H HD1  . TYR A 184 ? 0.388 0.396 0.482 0.006  -0.034 -0.051 192 TYR HHH HD1  
2627 H HD2  . TYR A 184 ? 0.424 0.452 0.497 0.025  -0.047 -0.076 192 TYR HHH HD2  
2628 H HE1  . TYR A 184 ? 0.390 0.395 0.487 -0.002 -0.030 -0.042 192 TYR HHH HE1  
2629 H HE2  . TYR A 184 ? 0.418 0.446 0.502 0.014  -0.046 -0.069 192 TYR HHH HE2  
2631 N N    . SER A 185 ? 0.432 0.447 0.530 0.026  -0.041 -0.078 193 SER HHH N    
2632 C CA   . SER A 185 ? 0.443 0.460 0.538 0.032  -0.039 -0.080 193 SER HHH CA   
2633 C C    . SER A 185 ? 0.438 0.455 0.532 0.029  -0.033 -0.069 193 SER HHH C    
2634 O O    . SER A 185 ? 0.434 0.445 0.533 0.023  -0.033 -0.062 193 SER HHH O    
2635 C CB   . SER A 185 ? 0.453 0.465 0.562 0.034  -0.044 -0.090 193 SER HHH CB   
2636 O OG   . SER A 185 ? 0.510 0.525 0.616 0.040  -0.042 -0.093 193 SER HHH OG   
2637 H H    . SER A 185 ? 0.429 0.440 0.532 0.021  -0.039 -0.071 193 SER HHH H    
2638 H HA   . SER A 185 ? 0.449 0.470 0.532 0.038  -0.038 -0.084 193 SER HHH HA   
2639 H HB2  . SER A 185 ? 0.469 0.482 0.580 0.037  -0.049 -0.099 193 SER HHH HB2  
2640 H HB3  . SER A 185 ? 0.461 0.466 0.580 0.029  -0.044 -0.086 193 SER HHH HB3  
2642 N N    . LEU A 186 ? 0.435 0.458 0.524 0.033  -0.028 -0.069 194 LEU HHH N    
2643 C CA   . LEU A 186 ? 0.431 0.458 0.524 0.031  -0.023 -0.062 194 LEU HHH CA   
2644 C C    . LEU A 186 ? 0.431 0.464 0.530 0.037  -0.019 -0.068 194 LEU HHH C    
2645 O O    . LEU A 186 ? 0.435 0.469 0.525 0.044  -0.017 -0.074 194 LEU HHH O    
2646 C CB   . LEU A 186 ? 0.449 0.480 0.532 0.028  -0.016 -0.056 194 LEU HHH CB   
2647 C CG   . LEU A 186 ? 0.474 0.511 0.563 0.026  -0.008 -0.051 194 LEU HHH CG   
2648 C CD1  . LEU A 186 ? 0.513 0.549 0.595 0.022  -0.004 -0.044 194 LEU HHH CD1  
2649 C CD2  . LEU A 186 ? 0.474 0.516 0.561 0.033  0.002  -0.055 194 LEU HHH CD2  
2650 H H    . LEU A 186 ? 0.444 0.470 0.527 0.039  -0.027 -0.075 194 LEU HHH H    
2651 H HA   . LEU A 186 ? 0.429 0.452 0.528 0.027  -0.026 -0.059 194 LEU HHH HA   
2652 H HB2  . LEU A 186 ? 0.446 0.473 0.527 0.024  -0.019 -0.052 194 LEU HHH HB2  
2653 H HB3  . LEU A 186 ? 0.457 0.489 0.530 0.033  -0.014 -0.059 194 LEU HHH HB3  
2654 H HG   . LEU A 186 ? 0.469 0.507 0.569 0.025  -0.011 -0.051 194 LEU HHH HG   
2655 H HD11 . LEU A 186 ? 0.493 0.526 0.577 0.018  -0.009 -0.042 194 LEU HHH HD11 
2656 H HD12 . LEU A 186 ? 0.499 0.539 0.586 0.021  0.003  -0.042 194 LEU HHH HD12 
2657 H HD13 . LEU A 186 ? 0.505 0.539 0.574 0.024  -0.002 -0.044 194 LEU HHH HD13 
2658 H HD21 . LEU A 186 ? 0.485 0.525 0.558 0.036  0.007  -0.054 194 LEU HHH HD21 
2659 H HD22 . LEU A 186 ? 0.475 0.521 0.572 0.030  0.008  -0.053 194 LEU HHH HD22 
2660 H HD23 . LEU A 186 ? 0.480 0.523 0.571 0.036  -0.001 -0.060 194 LEU HHH HD23 
2661 N N    . SER A 187 ? 0.406 0.442 0.518 0.036  -0.019 -0.066 195 SER HHH N    
2662 C CA   . SER A 187 ? 0.431 0.475 0.552 0.041  -0.014 -0.072 195 SER HHH CA   
2663 C C    . SER A 187 ? 0.408 0.462 0.540 0.038  -0.006 -0.068 195 SER HHH C    
2664 O O    . SER A 187 ? 0.386 0.439 0.522 0.032  -0.009 -0.063 195 SER HHH O    
2665 C CB   . SER A 187 ? 0.463 0.504 0.596 0.045  -0.022 -0.076 195 SER HHH CB   
2666 O OG   . SER A 187 ? 0.478 0.515 0.617 0.042  -0.028 -0.071 195 SER HHH OG   
2667 H H    . SER A 187 ? 0.411 0.444 0.527 0.033  -0.022 -0.063 195 SER HHH H    
2668 H HA   . SER A 187 ? 0.436 0.481 0.550 0.045  -0.010 -0.075 195 SER HHH HA   
2669 H HB2  . SER A 187 ? 0.464 0.510 0.604 0.048  -0.019 -0.081 195 SER HHH HB2  
2670 H HB3  . SER A 187 ? 0.465 0.499 0.594 0.046  -0.026 -0.079 195 SER HHH HB3  
2672 N N    . SER A 188 ? 0.403 0.464 0.540 0.042  0.005  -0.072 196 SER HHH N    
2673 C CA   . SER A 188 ? 0.406 0.478 0.563 0.038  0.015  -0.071 196 SER HHH CA   
2674 C C    . SER A 188 ? 0.396 0.477 0.571 0.044  0.018  -0.080 196 SER HHH C    
2675 O O    . SER A 188 ? 0.382 0.462 0.547 0.050  0.024  -0.083 196 SER HHH O    
2676 C CB   . SER A 188 ? 0.444 0.515 0.591 0.036  0.030  -0.065 196 SER HHH CB   
2677 O OG   . SER A 188 ? 0.420 0.501 0.593 0.032  0.042  -0.066 196 SER HHH OG   
2678 H H    . SER A 188 ? 0.415 0.477 0.546 0.046  0.009  -0.075 196 SER HHH H    
2679 H HA   . SER A 188 ? 0.400 0.472 0.565 0.035  0.008  -0.070 196 SER HHH HA   
2680 H HB2  . SER A 188 ? 0.427 0.493 0.564 0.032  0.027  -0.060 196 SER HHH HB2  
2681 H HB3  . SER A 188 ? 0.442 0.510 0.576 0.041  0.037  -0.065 196 SER HHH HB3  
2683 N N    . VAL A 189 ? 0.385 0.475 0.587 0.043  0.013  -0.085 197 VAL HHH N    
2684 C CA   . VAL A 189 ? 0.405 0.506 0.629 0.049  0.014  -0.095 197 VAL HHH CA   
2685 C C    . VAL A 189 ? 0.389 0.505 0.646 0.045  0.023  -0.099 197 VAL HHH C    
2686 O O    . VAL A 189 ? 0.366 0.483 0.629 0.038  0.023  -0.096 197 VAL HHH O    
2687 C CB   . VAL A 189 ? 0.401 0.498 0.628 0.054  -0.005 -0.099 197 VAL HHH CB   
2688 C CG1  . VAL A 189 ? 0.411 0.491 0.610 0.056  -0.012 -0.095 197 VAL HHH CG1  
2689 C CG2  . VAL A 189 ? 0.407 0.506 0.646 0.052  -0.017 -0.100 197 VAL HHH CG2  
2690 H H    . VAL A 189 ? 0.383 0.474 0.591 0.039  0.008  -0.083 197 VAL HHH H    
2691 H HA   . VAL A 189 ? 0.407 0.507 0.623 0.052  0.021  -0.096 197 VAL HHH HA   
2692 H HB   . VAL A 189 ? 0.409 0.512 0.648 0.059  -0.004 -0.106 197 VAL HHH HB   
2693 H HG11 . VAL A 189 ? 0.414 0.493 0.604 0.057  -0.005 -0.095 197 VAL HHH HG11 
2694 H HG12 . VAL A 189 ? 0.412 0.488 0.614 0.060  -0.021 -0.098 197 VAL HHH HG12 
2695 H HG13 . VAL A 189 ? 0.405 0.479 0.595 0.051  -0.016 -0.089 197 VAL HHH HG13 
2696 H HG21 . VAL A 189 ? 0.398 0.495 0.631 0.047  -0.014 -0.094 197 VAL HHH HG21 
2697 H HG22 . VAL A 189 ? 0.405 0.496 0.636 0.056  -0.028 -0.099 197 VAL HHH HG22 
2698 H HG23 . VAL A 189 ? 0.401 0.513 0.663 0.054  -0.016 -0.107 197 VAL HHH HG23 
2699 N N    . VAL A 190 ? 0.379 0.507 0.658 0.049  0.031  -0.108 198 VAL HHH N    
2700 C CA   . VAL A 190 ? 0.407 0.553 0.727 0.046  0.040  -0.116 198 VAL HHH CA   
2701 C C    . VAL A 190 ? 0.411 0.570 0.755 0.054  0.034  -0.129 198 VAL HHH C    
2702 O O    . VAL A 190 ? 0.450 0.603 0.777 0.061  0.036  -0.129 198 VAL HHH O    
2703 C CB   . VAL A 190 ? 0.429 0.576 0.752 0.040  0.067  -0.111 198 VAL HHH CB   
2704 C CG1  . VAL A 190 ? 0.448 0.590 0.750 0.048  0.082  -0.108 198 VAL HHH CG1  
2705 C CG2  . VAL A 190 ? 0.428 0.593 0.801 0.035  0.079  -0.120 198 VAL HHH CG2  
2706 H H    . VAL A 190 ? 0.396 0.523 0.668 0.054  0.032  -0.110 198 VAL HHH H    
2707 H HA   . VAL A 190 ? 0.396 0.545 0.726 0.043  0.031  -0.118 198 VAL HHH HA   
2708 H HB   . VAL A 190 ? 0.426 0.564 0.732 0.036  0.068  -0.103 198 VAL HHH HB   
2709 H HG11 . VAL A 190 ? 0.449 0.580 0.723 0.051  0.072  -0.105 198 VAL HHH HG11 
2710 H HG12 . VAL A 190 ? 0.456 0.594 0.753 0.046  0.099  -0.102 198 VAL HHH HG12 
2711 H HG13 . VAL A 190 ? 0.449 0.600 0.769 0.052  0.083  -0.116 198 VAL HHH HG13 
2712 H HG21 . VAL A 190 ? 0.431 0.605 0.822 0.039  0.082  -0.127 198 VAL HHH HG21 
2713 H HG22 . VAL A 190 ? 0.434 0.596 0.806 0.030  0.096  -0.114 198 VAL HHH HG22 
2714 H HG23 . VAL A 190 ? 0.418 0.588 0.805 0.032  0.066  -0.124 198 VAL HHH HG23 
2715 N N    . THR A 191 ? 0.424 0.597 0.804 0.055  0.025  -0.141 199 THR HHH N    
2716 C CA   . THR A 191 ? 0.431 0.621 0.844 0.063  0.021  -0.156 199 THR HHH CA   
2717 C C    . THR A 191 ? 0.409 0.617 0.864 0.057  0.044  -0.163 199 THR HHH C    
2718 O O    . THR A 191 ? 0.395 0.608 0.871 0.048  0.053  -0.163 199 THR HHH O    
2719 C CB   . THR A 191 ? 0.438 0.632 0.863 0.069  -0.006 -0.165 199 THR HHH CB   
2720 O OG1  . THR A 191 ? 0.461 0.660 0.901 0.062  -0.009 -0.166 199 THR HHH OG1  
2721 C CG2  . THR A 191 ? 0.457 0.629 0.840 0.076  -0.024 -0.156 199 THR HHH CG2  
2722 H H    . THR A 191 ? 0.415 0.590 0.802 0.051  0.020  -0.141 199 THR HHH H    
2723 H HA   . THR A 191 ? 0.433 0.617 0.831 0.068  0.020  -0.155 199 THR HHH HA   
2724 H HB   . THR A 191 ? 0.446 0.653 0.896 0.075  -0.010 -0.176 199 THR HHH HB   
2726 H HG21 . THR A 191 ? 0.458 0.624 0.828 0.079  -0.021 -0.155 199 THR HHH HG21 
2727 H HG22 . THR A 191 ? 0.454 0.627 0.843 0.082  -0.040 -0.162 199 THR HHH HG22 
2728 H HG23 . THR A 191 ? 0.450 0.611 0.812 0.070  -0.022 -0.147 199 THR HHH HG23 
2729 N N    . VAL A 192 ? 0.420 0.636 0.887 0.063  0.056  -0.169 200 VAL HHH N    
2730 C CA   . VAL A 192 ? 0.435 0.667 0.941 0.059  0.083  -0.175 200 VAL HHH CA   
2731 C C    . VAL A 192 ? 0.440 0.691 0.981 0.068  0.077  -0.192 200 VAL HHH C    
2732 O O    . VAL A 192 ? 0.434 0.679 0.954 0.078  0.056  -0.195 200 VAL HHH O    
2733 C CB   . VAL A 192 ? 0.443 0.661 0.917 0.058  0.111  -0.161 200 VAL HHH CB   
2734 C CG1  . VAL A 192 ? 0.460 0.659 0.897 0.051  0.115  -0.145 200 VAL HHH CG1  
2735 C CG2  . VAL A 192 ? 0.431 0.641 0.871 0.070  0.106  -0.160 200 VAL HHH CG2  
2736 H H    . VAL A 192 ? 0.425 0.637 0.877 0.070  0.049  -0.170 200 VAL HHH H    
2737 H HA   . VAL A 192 ? 0.427 0.667 0.958 0.052  0.087  -0.178 200 VAL HHH HA   
2738 H HB   . VAL A 192 ? 0.450 0.677 0.950 0.056  0.131  -0.165 200 VAL HHH HB   
2739 H HG11 . VAL A 192 ? 0.451 0.655 0.911 0.044  0.122  -0.146 200 VAL HHH HG11 
2740 H HG12 . VAL A 192 ? 0.467 0.657 0.881 0.053  0.130  -0.137 200 VAL HHH HG12 
2741 H HG13 . VAL A 192 ? 0.448 0.639 0.863 0.052  0.096  -0.142 200 VAL HHH HG13 
2742 H HG21 . VAL A 192 ? 0.432 0.635 0.856 0.073  0.085  -0.160 200 VAL HHH HG21 
2743 H HG22 . VAL A 192 ? 0.449 0.647 0.861 0.071  0.119  -0.151 200 VAL HHH HG22 
2744 H HG23 . VAL A 192 ? 0.442 0.663 0.905 0.075  0.110  -0.170 200 VAL HHH HG23 
2745 N N    . PRO A 193 ? 0.449 0.722 1.043 0.065  0.095  -0.205 201 PRO HHH N    
2746 C CA   . PRO A 193 ? 0.475 0.765 1.100 0.075  0.095  -0.220 201 PRO HHH CA   
2747 C C    . PRO A 193 ? 0.511 0.788 1.096 0.084  0.105  -0.213 201 PRO HHH C    
2748 O O    . PRO A 193 ? 0.511 0.775 1.068 0.080  0.128  -0.199 201 PRO HHH O    
2749 C CB   . PRO A 193 ? 0.478 0.790 1.163 0.067  0.123  -0.230 201 PRO HHH CB   
2750 C CG   . PRO A 193 ? 0.465 0.774 1.162 0.054  0.125  -0.226 201 PRO HHH CG   
2751 C CD   . PRO A 193 ? 0.451 0.732 1.081 0.053  0.117  -0.205 201 PRO HHH CD   
2752 H HA   . PRO A 193 ? 0.469 0.766 1.105 0.081  0.072  -0.230 201 PRO HHH HA   
2753 H HB2  . PRO A 193 ? 0.489 0.796 1.165 0.066  0.147  -0.223 201 PRO HHH HB2  
2754 H HB3  . PRO A 193 ? 0.474 0.804 1.197 0.071  0.115  -0.246 201 PRO HHH HB3  
2755 H HG2  . PRO A 193 ? 0.469 0.783 1.189 0.046  0.150  -0.225 201 PRO HHH HG2  
2756 H HG3  . PRO A 193 ? 0.453 0.775 1.178 0.054  0.107  -0.238 201 PRO HHH HG3  
2757 H HD2  . PRO A 193 ? 0.463 0.733 1.074 0.049  0.138  -0.194 201 PRO HHH HD2  
2758 H HD3  . PRO A 193 ? 0.445 0.724 1.076 0.048  0.105  -0.205 201 PRO HHH HD3  
2759 N N    . SER A 194 ? 0.540 0.820 1.122 0.096  0.085  -0.221 202 SER HHH N    
2760 C CA   . SER A 194 ? 0.598 0.869 1.151 0.106  0.091  -0.219 202 SER HHH CA   
2761 C C    . SER A 194 ? 0.606 0.888 1.179 0.106  0.126  -0.221 202 SER HHH C    
2762 O O    . SER A 194 ? 0.597 0.865 1.132 0.111  0.140  -0.212 202 SER HHH O    
2763 C CB   . SER A 194 ? 0.623 0.899 1.185 0.119  0.067  -0.233 202 SER HHH CB   
2764 O OG   . SER A 194 ? 0.660 0.923 1.200 0.121  0.037  -0.230 202 SER HHH OG   
2765 H H    . SER A 194 ? 0.537 0.823 1.133 0.100  0.066  -0.230 202 SER HHH H    
2766 H HA   . SER A 194 ? 0.596 0.849 1.108 0.106  0.089  -0.208 202 SER HHH HA   
2767 H HB2  . SER A 194 ? 0.624 0.920 1.228 0.121  0.068  -0.246 202 SER HHH HB2  
2768 H HB3  . SER A 194 ? 0.637 0.907 1.179 0.126  0.071  -0.232 202 SER HHH HB3  
2770 N N    . SER A 195 ? 0.599 0.905 1.232 0.101  0.140  -0.234 203 SER HHH N    
2771 C CA   . SER A 195 ? 0.633 0.950 1.293 0.100  0.177  -0.236 203 SER HHH CA   
2772 C C    . SER A 195 ? 0.675 0.971 1.300 0.093  0.206  -0.215 203 SER HHH C    
2773 O O    . SER A 195 ? 0.744 1.035 1.356 0.098  0.236  -0.210 203 SER HHH O    
2774 C CB   . SER A 195 ? 0.613 0.960 1.349 0.094  0.184  -0.254 203 SER HHH CB   
2775 O OG   . SER A 195 ? 0.586 0.936 1.341 0.085  0.166  -0.257 203 SER HHH OG   
2776 H H    . SER A 195 ? 0.593 0.911 1.256 0.099  0.127  -0.243 203 SER HHH H    
2777 H HA   . SER A 195 ? 0.642 0.958 1.289 0.110  0.179  -0.238 203 SER HHH HA   
2778 H HB2  . SER A 195 ? 0.625 0.975 1.378 0.090  0.213  -0.252 203 SER HHH HB2  
2779 H HB3  . SER A 195 ? 0.612 0.971 1.367 0.102  0.172  -0.267 203 SER HHH HB3  
2781 N N    . SER A 196 ? 0.684 0.968 1.291 0.083  0.198  -0.205 204 SER HHH N    
2782 C CA   . SER A 196 ? 0.715 0.978 1.286 0.077  0.221  -0.185 204 SER HHH CA   
2783 C C    . SER A 196 ? 0.716 0.955 1.218 0.088  0.224  -0.172 204 SER HHH C    
2784 O O    . SER A 196 ? 0.745 0.967 1.215 0.088  0.248  -0.157 204 SER HHH O    
2785 C CB   . SER A 196 ? 0.729 0.984 1.293 0.066  0.205  -0.178 204 SER HHH CB   
2786 O OG   . SER A 196 ? 0.767 1.041 1.393 0.055  0.211  -0.189 204 SER HHH OG   
2787 H H    . SER A 196 ? 0.668 0.956 1.283 0.081  0.177  -0.209 204 SER HHH H    
2788 H HA   . SER A 196 ? 0.725 0.993 1.321 0.073  0.248  -0.185 204 SER HHH HA   
2789 H HB2  . SER A 196 ? 0.720 0.973 1.269 0.069  0.179  -0.181 204 SER HHH HB2  
2790 H HB3  . SER A 196 ? 0.742 0.980 1.273 0.064  0.217  -0.165 204 SER HHH HB3  
2792 N N    . LEU A 197 ? 0.699 0.935 1.176 0.098  0.199  -0.177 205 LEU HHH N    
2793 C CA   . LEU A 197 ? 0.728 0.942 1.143 0.109  0.195  -0.168 205 LEU HHH CA   
2794 C C    . LEU A 197 ? 0.784 0.997 1.188 0.120  0.225  -0.168 205 LEU HHH C    
2795 O O    . LEU A 197 ? 0.771 1.003 1.218 0.123  0.236  -0.180 205 LEU HHH O    
2796 C CB   . LEU A 197 ? 0.696 0.908 1.097 0.116  0.160  -0.175 205 LEU HHH CB   
2797 C CG   . LEU A 197 ? 0.663 0.872 1.068 0.107  0.131  -0.175 205 LEU HHH CG   
2798 C CD1  . LEU A 197 ? 0.641 0.847 1.037 0.115  0.102  -0.182 205 LEU HHH CD1  
2799 C CD2  . LEU A 197 ? 0.676 0.867 1.044 0.101  0.132  -0.159 205 LEU HHH CD2  
2800 H H    . LEU A 197 ? 0.693 0.940 1.192 0.100  0.182  -0.188 205 LEU HHH H    
2801 H HA   . LEU A 197 ? 0.729 0.929 1.118 0.105  0.197  -0.157 205 LEU HHH HA   
2802 H HB2  . LEU A 197 ? 0.699 0.922 1.123 0.121  0.158  -0.186 205 LEU HHH HB2  
2803 H HB3  . LEU A 197 ? 0.710 0.908 1.073 0.122  0.158  -0.171 205 LEU HHH HB3  
2804 H HG   . LEU A 197 ? 0.654 0.878 1.097 0.101  0.133  -0.180 205 LEU HHH HG   
2805 H HD11 . LEU A 197 ? 0.646 0.864 1.068 0.120  0.100  -0.193 205 LEU HHH HD11 
2806 H HD12 . LEU A 197 ? 0.633 0.835 1.028 0.111  0.085  -0.180 205 LEU HHH HD12 
2807 H HD13 . LEU A 197 ? 0.656 0.849 1.020 0.121  0.101  -0.179 205 LEU HHH HD13 
2808 H HD21 . LEU A 197 ? 0.685 0.864 1.020 0.107  0.135  -0.155 205 LEU HHH HD21 
2809 H HD22 . LEU A 197 ? 0.658 0.846 1.023 0.097  0.112  -0.159 205 LEU HHH HD22 
2810 H HD23 . LEU A 197 ? 0.673 0.867 1.053 0.094  0.148  -0.155 205 LEU HHH HD23 
2811 N N    . GLY A 198 ? 0.807 0.998 1.157 0.128  0.238  -0.155 206 GLY HHH N    
2812 C CA   . GLY A 198 ? 0.863 1.050 1.196 0.141  0.269  -0.153 206 GLY HHH CA   
2813 C C    . GLY A 198 ? 0.844 1.039 1.214 0.135  0.309  -0.149 206 GLY HHH C    
2814 O O    . GLY A 198 ? 0.922 1.112 1.278 0.146  0.339  -0.146 206 GLY HHH O    
2815 H H    . GLY A 198 ? 0.810 0.989 1.132 0.127  0.229  -0.148 206 GLY HHH H    
2816 H HA2  . GLY A 198 ? 0.867 1.038 1.155 0.149  0.271  -0.145 206 GLY HHH HA2  
2817 H HA3  . GLY A 198 ? 0.851 1.046 1.192 0.149  0.263  -0.164 206 GLY HHH HA3  
2818 N N    . THR A 199 ? 0.801 1.006 1.216 0.118  0.311  -0.149 207 THR HHH N    
2819 C CA   . THR A 199 ? 0.788 0.993 1.233 0.109  0.350  -0.141 207 THR HHH CA   
2820 C C    . THR A 199 ? 0.779 0.964 1.195 0.100  0.350  -0.125 207 THR HHH C    
2821 O O    . THR A 199 ? 0.807 0.974 1.202 0.102  0.384  -0.110 207 THR HHH O    
2822 C CB   . THR A 199 ? 0.758 0.993 1.286 0.096  0.353  -0.157 207 THR HHH CB   
2823 O OG1  . THR A 199 ? 0.793 1.043 1.346 0.105  0.368  -0.168 207 THR HHH OG1  
2824 C CG2  . THR A 199 ? 0.762 0.996 1.328 0.081  0.383  -0.150 207 THR HHH CG2  
2825 H H    . THR A 199 ? 0.775 0.988 1.208 0.111  0.288  -0.154 207 THR HHH H    
2826 H HA   . THR A 199 ? 0.818 1.016 1.246 0.117  0.375  -0.136 207 THR HHH HA   
2827 H HB   . THR A 199 ? 0.738 0.982 1.279 0.092  0.323  -0.165 207 THR HHH HB   
2829 H HG21 . THR A 199 ? 0.746 0.977 1.310 0.073  0.367  -0.147 207 THR HHH HG21 
2830 H HG22 . THR A 199 ? 0.756 1.010 1.376 0.075  0.391  -0.162 207 THR HHH HG22 
2831 H HG23 . THR A 199 ? 0.790 1.008 1.330 0.085  0.410  -0.138 207 THR HHH HG23 
2832 N N    . GLN A 200 ? 0.681 0.868 1.097 0.092  0.315  -0.127 208 GLN HHH N    
2833 C CA   . GLN A 200 ? 0.679 0.850 1.075 0.083  0.313  -0.113 208 GLN HHH CA   
2834 C C    . GLN A 200 ? 0.679 0.829 1.004 0.094  0.294  -0.104 208 GLN HHH C    
2835 O O    . GLN A 200 ? 0.654 0.808 0.965 0.100  0.265  -0.113 208 GLN HHH O    
2836 C CB   . GLN A 200 ? 0.643 0.831 1.086 0.067  0.289  -0.123 208 GLN HHH CB   
2837 C CG   . GLN A 200 ? 0.622 0.796 1.047 0.058  0.283  -0.111 208 GLN HHH CG   
2838 C CD   . GLN A 200 ? 0.650 0.815 1.090 0.050  0.320  -0.100 208 GLN HHH CD   
2839 O OE1  . GLN A 200 ? 0.687 0.865 1.179 0.044  0.345  -0.107 208 GLN HHH OE1  
2840 N NE2  . GLN A 200 ? 0.655 0.796 1.051 0.050  0.325  -0.084 208 GLN HHH NE2  
2841 H H    . GLN A 200 ? 0.677 0.875 1.106 0.091  0.291  -0.137 208 GLN HHH H    
2842 H HA   . GLN A 200 ? 0.697 0.860 1.095 0.081  0.342  -0.105 208 GLN HHH HA   
2843 H HB2  . GLN A 200 ? 0.637 0.840 1.128 0.061  0.302  -0.130 208 GLN HHH HB2  
2844 H HB3  . GLN A 200 ? 0.624 0.819 1.067 0.070  0.263  -0.131 208 GLN HHH HB3  
2845 H HG2  . GLN A 200 ? 0.604 0.788 1.053 0.051  0.262  -0.119 208 GLN HHH HG2  
2846 H HG3  . GLN A 200 ? 0.633 0.791 1.011 0.064  0.273  -0.103 208 GLN HHH HG3  
2849 N N    . THR A 201 ? 0.710 0.836 0.991 0.097  0.310  -0.088 209 THR HHH N    
2850 C CA   . THR A 201 ? 0.716 0.823 0.934 0.107  0.290  -0.080 209 THR HHH CA   
2851 C C    . THR A 201 ? 0.652 0.759 0.878 0.093  0.265  -0.078 209 THR HHH C    
2852 O O    . THR A 201 ? 0.622 0.732 0.879 0.079  0.277  -0.074 209 THR HHH O    
2853 C CB   . THR A 201 ? 0.785 0.866 0.947 0.122  0.318  -0.065 209 THR HHH CB   
2854 O OG1  . THR A 201 ? 0.846 0.920 1.025 0.113  0.349  -0.054 209 THR HHH OG1  
2855 C CG2  . THR A 201 ? 0.824 0.903 0.968 0.139  0.338  -0.068 209 THR HHH CG2  
2856 H H    . THR A 201 ? 0.722 0.843 1.011 0.094  0.334  -0.080 209 THR HHH H    
2857 H HA   . THR A 201 ? 0.709 0.820 0.918 0.113  0.273  -0.088 209 THR HHH HA   
2858 H HB   . THR A 201 ? 0.792 0.862 0.917 0.127  0.302  -0.062 209 THR HHH HB   
2860 H HG21 . THR A 201 ? 0.820 0.900 0.943 0.148  0.318  -0.075 209 THR HHH HG21 
2861 H HG22 . THR A 201 ? 0.854 0.917 0.968 0.148  0.360  -0.058 209 THR HHH HG22 
2862 H HG23 . THR A 201 ? 0.816 0.909 1.000 0.134  0.349  -0.074 209 THR HHH HG23 
2863 N N    . TYR A 202 ? 0.618 0.723 0.820 0.096  0.232  -0.083 210 TYR HHH N    
2864 C CA   . TYR A 202 ? 0.587 0.691 0.788 0.085  0.206  -0.081 210 TYR HHH CA   
2865 C C    . TYR A 202 ? 0.593 0.676 0.736 0.095  0.198  -0.072 210 TYR HHH C    
2866 O O    . TYR A 202 ? 0.611 0.690 0.725 0.108  0.188  -0.077 210 TYR HHH O    
2867 C CB   . TYR A 202 ? 0.557 0.676 0.785 0.081  0.176  -0.094 210 TYR HHH CB   
2868 C CG   . TYR A 202 ? 0.539 0.679 0.824 0.074  0.181  -0.104 210 TYR HHH CG   
2869 C CD1  . TYR A 202 ? 0.520 0.669 0.843 0.061  0.186  -0.104 210 TYR HHH CD1  
2870 C CD2  . TYR A 202 ? 0.530 0.683 0.834 0.081  0.182  -0.116 210 TYR HHH CD2  
2871 C CE1  . TYR A 202 ? 0.495 0.665 0.875 0.055  0.189  -0.117 210 TYR HHH CE1  
2872 C CE2  . TYR A 202 ? 0.522 0.695 0.881 0.076  0.186  -0.128 210 TYR HHH CE2  
2873 C CZ   . TYR A 202 ? 0.507 0.690 0.905 0.063  0.189  -0.128 210 TYR HHH CZ   
2874 O OH   . TYR A 202 ? 0.487 0.692 0.944 0.058  0.191  -0.143 210 TYR HHH OH   
2875 H H    . TYR A 202 ? 0.627 0.732 0.812 0.105  0.224  -0.088 210 TYR HHH H    
2876 H HA   . TYR A 202 ? 0.581 0.686 0.801 0.076  0.216  -0.077 210 TYR HHH HA   
2877 H HB2  . TYR A 202 ? 0.561 0.678 0.772 0.090  0.168  -0.098 210 TYR HHH HB2  
2878 H HB3  . TYR A 202 ? 0.541 0.657 0.765 0.075  0.161  -0.092 210 TYR HHH HB3  
2879 H HD1  . TYR A 202 ? 0.516 0.656 0.827 0.056  0.186  -0.097 210 TYR HHH HD1  
2880 H HD2  . TYR A 202 ? 0.544 0.691 0.823 0.091  0.179  -0.117 210 TYR HHH HD2  
2881 H HE1  . TYR A 202 ? 0.492 0.668 0.899 0.047  0.191  -0.118 210 TYR HHH HE1  
2882 H HE2  . TYR A 202 ? 0.524 0.706 0.896 0.082  0.186  -0.136 210 TYR HHH HE2  
2884 N N    . ILE A 203 ? 0.599 0.672 0.729 0.089  0.204  -0.061 211 ILE HHH N    
2885 C CA   . ILE A 203 ? 0.622 0.676 0.701 0.098  0.195  -0.054 211 ILE HHH CA   
2886 C C    . ILE A 203 ? 0.599 0.654 0.689 0.084  0.176  -0.051 211 ILE HHH C    
2887 O O    . ILE A 203 ? 0.569 0.628 0.689 0.072  0.187  -0.047 211 ILE HHH O    
2888 C CB   . ILE A 203 ? 0.662 0.697 0.707 0.109  0.226  -0.040 211 ILE HHH CB   
2889 C CG1  . ILE A 203 ? 0.695 0.727 0.726 0.124  0.248  -0.042 211 ILE HHH CG1  
2890 C CG2  . ILE A 203 ? 0.681 0.698 0.675 0.118  0.214  -0.034 211 ILE HHH CG2  
2891 C CD1  . ILE A 203 ? 0.732 0.744 0.733 0.134  0.284  -0.027 211 ILE HHH CD1  
2892 H H    . ILE A 203 ? 0.593 0.669 0.747 0.080  0.212  -0.058 211 ILE HHH H    
2893 H HA   . ILE A 203 ? 0.624 0.677 0.685 0.106  0.182  -0.060 211 ILE HHH HA   
2894 H HB   . ILE A 203 ? 0.660 0.695 0.726 0.099  0.240  -0.035 211 ILE HHH HB   
2895 H HG12 . ILE A 203 ? 0.699 0.730 0.707 0.134  0.234  -0.048 211 ILE HHH HG12 
2896 H HG13 . ILE A 203 ? 0.682 0.727 0.749 0.117  0.253  -0.048 211 ILE HHH HG13 
2897 H HG21 . ILE A 203 ? 0.661 0.680 0.665 0.108  0.205  -0.031 211 ILE HHH HG21 
2898 H HG22 . ILE A 203 ? 0.709 0.713 0.676 0.128  0.233  -0.026 211 ILE HHH HG22 
2899 H HG23 . ILE A 203 ? 0.678 0.697 0.656 0.126  0.197  -0.041 211 ILE HHH HG23 
2900 H HD11 . ILE A 203 ? 0.729 0.738 0.746 0.124  0.293  -0.020 211 ILE HHH HD11 
2901 H HD12 . ILE A 203 ? 0.751 0.764 0.758 0.139  0.302  -0.028 211 ILE HHH HD12 
2902 H HD13 . ILE A 203 ? 0.754 0.752 0.712 0.147  0.279  -0.024 211 ILE HHH HD13 
2903 N N    . CYS A 204 ? 0.598 0.651 0.668 0.086  0.150  -0.055 212 CYS HHH N    
2904 C CA   . CYS A 204 ? 0.600 0.652 0.675 0.075  0.135  -0.051 212 CYS HHH CA   
2905 C C    . CYS A 204 ? 0.615 0.649 0.647 0.083  0.141  -0.041 212 CYS HHH C    
2906 O O    . CYS A 204 ? 0.638 0.663 0.633 0.099  0.141  -0.042 212 CYS HHH O    
2907 C CB   . CYS A 204 ? 0.625 0.683 0.708 0.071  0.106  -0.059 212 CYS HHH CB   
2908 S SG   . CYS A 204 ? 0.708 0.757 0.751 0.085  0.089  -0.065 212 CYS HHH SG   
2909 H H    . CYS A 204 ? 0.605 0.657 0.661 0.094  0.141  -0.060 212 CYS HHH H    
2910 H HA   . CYS A 204 ? 0.594 0.650 0.693 0.066  0.142  -0.049 212 CYS HHH HA   
2911 H HB2  . CYS A 204 ? 0.614 0.672 0.704 0.063  0.099  -0.056 212 CYS HHH HB2  
2912 H HB3  . CYS A 204 ? 0.619 0.686 0.724 0.069  0.103  -0.065 212 CYS HHH HB3  
2913 N N    . ASN A 205 ? 0.580 0.609 0.618 0.074  0.147  -0.032 213 ASN HHH N    
2914 C CA   . ASN A 205 ? 0.617 0.629 0.617 0.081  0.154  -0.021 213 ASN HHH CA   
2915 C C    . ASN A 205 ? 0.582 0.595 0.580 0.074  0.128  -0.023 213 ASN HHH C    
2916 O O    . ASN A 205 ? 0.550 0.570 0.577 0.060  0.122  -0.023 213 ASN HHH O    
2917 C CB   . ASN A 205 ? 0.644 0.646 0.653 0.076  0.182  -0.010 213 ASN HHH CB   
2918 C CG   . ASN A 205 ? 0.670 0.678 0.705 0.075  0.207  -0.010 213 ASN HHH CG   
2919 O OD1  . ASN A 205 ? 0.657 0.677 0.739 0.061  0.213  -0.013 213 ASN HHH OD1  
2920 N ND2  . ASN A 205 ? 0.669 0.668 0.674 0.091  0.222  -0.009 213 ASN HHH ND2  
2921 H H    . ASN A 205 ? 0.574 0.610 0.639 0.063  0.146  -0.033 213 ASN HHH H    
2922 H HA   . ASN A 205 ? 0.635 0.640 0.607 0.094  0.156  -0.022 213 ASN HHH HA   
2923 H HB2  . ASN A 205 ? 0.625 0.632 0.656 0.064  0.177  -0.009 213 ASN HHH HB2  
2924 H HB3  . ASN A 205 ? 0.667 0.655 0.645 0.085  0.190  -0.002 213 ASN HHH HB3  
2927 N N    . VAL A 206 ? 0.594 0.601 0.560 0.085  0.113  -0.027 214 VAL HHH N    
2928 C CA   . VAL A 206 ? 0.589 0.598 0.553 0.080  0.090  -0.030 214 VAL HHH CA   
2929 C C    . VAL A 206 ? 0.601 0.597 0.532 0.088  0.092  -0.023 214 VAL HHH C    
2930 O O    . VAL A 206 ? 0.600 0.585 0.496 0.105  0.099  -0.022 214 VAL HHH O    
2931 C CB   . VAL A 206 ? 0.588 0.603 0.550 0.086  0.069  -0.043 214 VAL HHH CB   
2932 C CG1  . VAL A 206 ? 0.583 0.600 0.549 0.079  0.048  -0.046 214 VAL HHH CG1  
2933 C CG2  . VAL A 206 ? 0.563 0.589 0.554 0.081  0.068  -0.050 214 VAL HHH CG2  
2934 H H    . VAL A 206 ? 0.616 0.619 0.561 0.097  0.116  -0.029 214 VAL HHH H    
2935 H HA   . VAL A 206 ? 0.565 0.581 0.553 0.068  0.086  -0.029 214 VAL HHH HA   
2936 H HB   . VAL A 206 ? 0.609 0.619 0.546 0.099  0.071  -0.045 214 VAL HHH HB   
2937 H HG11 . VAL A 206 ? 0.590 0.602 0.535 0.086  0.046  -0.046 214 VAL HHH HG11 
2938 H HG12 . VAL A 206 ? 0.570 0.592 0.545 0.079  0.037  -0.054 214 VAL HHH HG12 
2939 H HG13 . VAL A 206 ? 0.562 0.582 0.545 0.068  0.049  -0.042 214 VAL HHH HG13 
2940 H HG21 . VAL A 206 ? 0.551 0.582 0.564 0.070  0.070  -0.047 214 VAL HHH HG21 
2941 H HG22 . VAL A 206 ? 0.560 0.589 0.553 0.081  0.054  -0.057 214 VAL HHH HG22 
2942 H HG23 . VAL A 206 ? 0.582 0.608 0.567 0.088  0.080  -0.050 214 VAL HHH HG23 
2943 N N    . ASN A 207 ? 0.610 0.605 0.551 0.077  0.088  -0.018 215 ASN HHH N    
2944 C CA   . ASN A 207 ? 0.662 0.645 0.574 0.084  0.086  -0.011 215 ASN HHH CA   
2945 C C    . ASN A 207 ? 0.610 0.600 0.530 0.078  0.063  -0.018 215 ASN HHH C    
2946 O O    . ASN A 207 ? 0.597 0.595 0.546 0.062  0.056  -0.018 215 ASN HHH O    
2947 C CB   . ASN A 207 ? 0.715 0.689 0.632 0.077  0.106  0.002  215 ASN HHH CB   
2948 C CG   . ASN A 207 ? 0.814 0.771 0.694 0.089  0.110  0.010  215 ASN HHH CG   
2949 O OD1  . ASN A 207 ? 0.924 0.867 0.796 0.090  0.132  0.021  215 ASN HHH OD1  
2950 N ND2  . ASN A 207 ? 0.840 0.796 0.698 0.099  0.091  0.003  215 ASN HHH ND2  
2951 H H    . ASN A 207 ? 0.592 0.594 0.558 0.066  0.084  -0.018 215 ASN HHH H    
2952 H HA   . ASN A 207 ? 0.681 0.657 0.566 0.098  0.089  -0.012 215 ASN HHH HA   
2953 H HB2  . ASN A 207 ? 0.731 0.702 0.652 0.078  0.122  0.005  215 ASN HHH HB2  
2954 H HB3  . ASN A 207 ? 0.697 0.678 0.638 0.065  0.101  0.001  215 ASN HHH HB3  
2957 N N    . HIS A 208 ? 0.620 0.608 0.516 0.090  0.050  -0.024 216 HIS HHH N    
2958 C CA   . HIS A 208 ? 0.617 0.609 0.516 0.087  0.030  -0.031 216 HIS HHH CA   
2959 C C    . HIS A 208 ? 0.652 0.632 0.522 0.097  0.033  -0.024 216 HIS HHH C    
2960 O O    . HIS A 208 ? 0.638 0.613 0.479 0.115  0.026  -0.030 216 HIS HHH O    
2961 C CB   . HIS A 208 ? 0.610 0.610 0.512 0.094  0.012  -0.046 216 HIS HHH CB   
2962 C CG   . HIS A 208 ? 0.576 0.583 0.495 0.087  -0.005 -0.053 216 HIS HHH CG   
2963 N ND1  . HIS A 208 ? 0.580 0.589 0.487 0.098  -0.020 -0.065 216 HIS HHH ND1  
2964 C CD2  . HIS A 208 ? 0.582 0.595 0.528 0.070  -0.009 -0.050 216 HIS HHH CD2  
2965 C CE1  . HIS A 208 ? 0.582 0.598 0.513 0.088  -0.031 -0.070 216 HIS HHH CE1  
2966 N NE2  . HIS A 208 ? 0.562 0.579 0.514 0.071  -0.024 -0.060 216 HIS HHH NE2  
2967 H H    . HIS A 208 ? 0.645 0.627 0.519 0.103  0.052  -0.027 216 HIS HHH H    
2968 H HA   . HIS A 208 ? 0.595 0.592 0.516 0.074  0.028  -0.028 216 HIS HHH HA   
2969 H HB2  . HIS A 208 ? 0.600 0.605 0.517 0.090  0.013  -0.049 216 HIS HHH HB2  
2970 H HB3  . HIS A 208 ? 0.631 0.626 0.509 0.108  0.012  -0.050 216 HIS HHH HB3  
2972 H HD2  . HIS A 208 ? 0.559 0.572 0.517 0.061  -0.003 -0.044 216 HIS HHH HD2  
2973 H HE1  . HIS A 208 ? 0.579 0.599 0.512 0.092  -0.042 -0.079 216 HIS HHH HE1  
2975 N N    . LYS A 209 ? 0.704 0.680 0.582 0.087  0.042  -0.013 217 LYS HHH N    
2976 C CA   . LYS A 209 ? 0.819 0.782 0.671 0.095  0.046  -0.005 217 LYS HHH CA   
2977 C C    . LYS A 209 ? 0.837 0.804 0.676 0.105  0.025  -0.016 217 LYS HHH C    
2978 O O    . LYS A 209 ? 0.847 0.805 0.651 0.125  0.024  -0.018 217 LYS HHH O    
2979 C CB   . LYS A 209 ? 0.868 0.829 0.740 0.079  0.054  0.004  217 LYS HHH CB   
2980 C CG   . LYS A 209 ? 0.939 0.900 0.834 0.068  0.072  0.012  217 LYS HHH CG   
2981 C CD   . LYS A 209 ? 1.033 0.976 0.906 0.078  0.097  0.022  217 LYS HHH CD   
2982 C CE   . LYS A 209 ? 1.125 1.052 0.984 0.079  0.106  0.033  217 LYS HHH CE   
2983 N NZ   . LYS A 209 ? 1.126 1.062 1.019 0.060  0.101  0.033  217 LYS HHH NZ   
2984 H H    . LYS A 209 ? 0.693 0.674 0.593 0.075  0.045  -0.011 217 LYS HHH H    
2985 H HA   . LYS A 209 ? 0.840 0.792 0.670 0.106  0.058  -0.000 217 LYS HHH HA   
2986 H HB2  . LYS A 209 ? 0.846 0.817 0.736 0.070  0.042  -0.000 217 LYS HHH HB2  
2987 H HB3  . LYS A 209 ? 0.884 0.836 0.738 0.085  0.057  0.010  217 LYS HHH HB3  
2988 H HG2  . LYS A 209 ? 0.922 0.892 0.831 0.065  0.069  0.006  217 LYS HHH HG2  
2989 H HG3  . LYS A 209 ? 0.918 0.882 0.831 0.057  0.071  0.014  217 LYS HHH HG3  
2990 H HD2  . LYS A 209 ? 1.056 0.994 0.904 0.091  0.097  0.020  217 LYS HHH HD2  
2991 H HD3  . LYS A 209 ? 1.032 0.977 0.923 0.070  0.108  0.024  217 LYS HHH HD3  
2992 H HE2  . LYS A 209 ? 1.124 1.046 0.959 0.089  0.097  0.032  217 LYS HHH HE2  
2993 H HE3  . LYS A 209 ? 1.135 1.050 0.985 0.083  0.125  0.041  217 LYS HHH HE3  
2994 H HZ1  . LYS A 209 ? 1.100 1.045 1.017 0.051  0.103  0.030  217 LYS HHH HZ1  
2995 H HZ2  . LYS A 209 ? 1.126 1.051 1.016 0.059  0.112  0.040  217 LYS HHH HZ2  
2996 H HZ3  . LYS A 209 ? 1.102 1.044 0.995 0.059  0.087  0.029  217 LYS HHH HZ3  
2997 N N    . PRO A 210 ? 0.755 0.737 0.623 0.094  0.008  -0.026 218 PRO HHH N    
2998 C CA   . PRO A 210 ? 0.752 0.740 0.617 0.101  -0.011 -0.038 218 PRO HHH CA   
2999 C C    . PRO A 210 ? 0.764 0.752 0.605 0.122  -0.021 -0.051 218 PRO HHH C    
3000 O O    . PRO A 210 ? 0.863 0.851 0.692 0.133  -0.034 -0.059 218 PRO HHH O    
3001 C CB   . PRO A 210 ? 0.732 0.734 0.636 0.085  -0.021 -0.045 218 PRO HHH CB   
3002 C CG   . PRO A 210 ? 0.710 0.711 0.632 0.068  -0.009 -0.032 218 PRO HHH CG   
3003 C CD   . PRO A 210 ? 0.736 0.728 0.640 0.074  0.008  -0.025 218 PRO HHH CD   
3004 H HA   . PRO A 210 ? 0.755 0.738 0.613 0.102  -0.011 -0.033 218 PRO HHH HA   
3005 H HB2  . PRO A 210 ? 0.728 0.734 0.637 0.087  -0.025 -0.053 218 PRO HHH HB2  
3006 H HB3  . PRO A 210 ? 0.721 0.728 0.632 0.083  -0.030 -0.050 218 PRO HHH HB3  
3007 H HG2  . PRO A 210 ? 0.696 0.704 0.638 0.059  -0.012 -0.035 218 PRO HHH HG2  
3008 H HG3  . PRO A 210 ? 0.708 0.707 0.629 0.064  -0.007 -0.027 218 PRO HHH HG3  
3009 H HD2  . PRO A 210 ? 0.729 0.725 0.640 0.074  0.008  -0.029 218 PRO HHH HD2  
3010 H HD3  . PRO A 210 ? 0.727 0.715 0.637 0.067  0.017  -0.016 218 PRO HHH HD3  
3011 N N    . SER A 211 ? 0.745 0.730 0.577 0.129  -0.016 -0.054 219 SER HHH N    
3012 C CA   . SER A 211 ? 0.759 0.743 0.564 0.153  -0.026 -0.067 219 SER HHH CA   
3013 C C    . SER A 211 ? 0.800 0.765 0.561 0.170  -0.008 -0.056 219 SER HHH C    
3014 O O    . SER A 211 ? 0.750 0.712 0.486 0.190  -0.013 -0.065 219 SER HHH O    
3015 C CB   . SER A 211 ? 0.740 0.736 0.567 0.150  -0.038 -0.082 219 SER HHH CB   
3016 O OG   . SER A 211 ? 0.730 0.724 0.566 0.142  -0.023 -0.074 219 SER HHH OG   
3017 H H    . SER A 211 ? 0.739 0.726 0.583 0.121  -0.008 -0.049 219 SER HHH H    
3018 H HA   . SER A 211 ? 0.767 0.753 0.566 0.160  -0.038 -0.074 219 SER HHH HA   
3019 H HB2  . SER A 211 ? 0.762 0.757 0.572 0.166  -0.046 -0.093 219 SER HHH HB2  
3020 H HB3  . SER A 211 ? 0.718 0.724 0.573 0.139  -0.047 -0.088 219 SER HHH HB3  
3022 N N    . ASN A 212 ? 0.837 0.790 0.591 0.164  0.013  -0.037 220 ASN HHH N    
3023 C CA   . ASN A 212 ? 0.923 0.856 0.642 0.177  0.037  -0.024 220 ASN HHH CA   
3024 C C    . ASN A 212 ? 0.908 0.845 0.624 0.184  0.040  -0.031 220 ASN HHH C    
3025 O O    . ASN A 212 ? 0.973 0.899 0.648 0.209  0.042  -0.034 220 ASN HHH O    
3026 C CB   . ASN A 212 ? 1.010 0.923 0.675 0.205  0.038  -0.021 220 ASN HHH CB   
3027 C CG   . ASN A 212 ? 1.049 0.953 0.706 0.204  0.041  -0.010 220 ASN HHH CG   
3028 O OD1  . ASN A 212 ? 1.011 0.923 0.703 0.181  0.040  -0.007 220 ASN HHH OD1  
3029 N ND2  . ASN A 212 ? 1.162 1.044 0.768 0.229  0.045  -0.005 220 ASN HHH ND2  
3030 H H    . ASN A 212 ? 0.822 0.777 0.591 0.152  0.015  -0.031 220 ASN HHH H    
3031 H HA   . ASN A 212 ? 0.907 0.836 0.637 0.165  0.052  -0.012 220 ASN HHH HA   
3032 H HB2  . ASN A 212 ? 1.017 0.936 0.672 0.218  0.021  -0.034 220 ASN HHH HB2  
3033 H HB3  . ASN A 212 ? 1.036 0.936 0.677 0.215  0.055  -0.013 220 ASN HHH HB3  
3036 N N    . THR A 213 ? 0.851 0.803 0.609 0.164  0.038  -0.035 221 THR HHH N    
3037 C CA   . THR A 213 ? 0.855 0.812 0.616 0.168  0.042  -0.041 221 THR HHH CA   
3038 C C    . THR A 213 ? 0.844 0.801 0.629 0.152  0.065  -0.029 221 THR HHH C    
3039 O O    . THR A 213 ? 0.754 0.720 0.577 0.130  0.064  -0.025 221 THR HHH O    
3040 C CB   . THR A 213 ? 0.842 0.816 0.632 0.162  0.018  -0.060 221 THR HHH CB   
3041 O OG1  . THR A 213 ? 0.896 0.872 0.670 0.177  -0.003 -0.074 221 THR HHH OG1  
3042 C CG2  . THR A 213 ? 0.863 0.842 0.658 0.167  0.021  -0.067 221 THR HHH CG2  
3043 H H    . THR A 213 ? 0.828 0.788 0.613 0.149  0.034  -0.034 221 THR HHH H    
3044 H HA   . THR A 213 ? 0.890 0.838 0.619 0.187  0.046  -0.042 221 THR HHH HA   
3045 H HB   . THR A 213 ? 0.820 0.803 0.640 0.145  0.015  -0.058 221 THR HHH HB   
3047 H HG21 . THR A 213 ? 0.839 0.823 0.657 0.153  0.029  -0.062 221 THR HHH HG21 
3048 H HG22 . THR A 213 ? 0.853 0.840 0.656 0.169  0.005  -0.081 221 THR HHH HG22 
3049 H HG23 . THR A 213 ? 0.888 0.857 0.653 0.182  0.031  -0.065 221 THR HHH HG23 
3050 N N    . LYS A 214 ? 0.861 0.807 0.624 0.164  0.086  -0.023 222 LYS HHH N    
3051 C CA   . LYS A 214 ? 0.866 0.814 0.654 0.153  0.108  -0.016 222 LYS HHH CA   
3052 C C    . LYS A 214 ? 0.847 0.802 0.633 0.163  0.106  -0.027 222 LYS HHH C    
3053 O O    . LYS A 214 ? 0.910 0.853 0.653 0.186  0.108  -0.029 222 LYS HHH O    
3054 C CB   . LYS A 214 ? 0.927 0.856 0.693 0.160  0.140  0.002  222 LYS HHH CB   
3055 C CG   . LYS A 214 ? 0.954 0.873 0.725 0.149  0.149  0.015  222 LYS HHH CG   
3056 C CD   . LYS A 214 ? 1.025 0.924 0.783 0.154  0.186  0.031  222 LYS HHH CD   
3057 C CE   . LYS A 214 ? 1.067 0.943 0.794 0.162  0.196  0.045  222 LYS HHH CE   
3058 N NZ   . LYS A 214 ? 1.051 0.937 0.812 0.141  0.185  0.045  222 LYS HHH NZ   
3059 H H    . LYS A 214 ? 0.897 0.834 0.628 0.182  0.087  -0.024 222 LYS HHH H    
3060 H HA   . LYS A 214 ? 0.831 0.790 0.653 0.135  0.104  -0.015 222 LYS HHH HA   
3061 H HB2  . LYS A 214 ? 0.961 0.878 0.689 0.179  0.143  0.002  222 LYS HHH HB2  
3062 H HB3  . LYS A 214 ? 0.926 0.858 0.709 0.154  0.154  0.004  222 LYS HHH HB3  
3063 H HG2  . LYS A 214 ? 0.922 0.853 0.729 0.132  0.144  0.013  222 LYS HHH HG2  
3064 H HG3  . LYS A 214 ? 0.962 0.876 0.712 0.157  0.138  0.014  222 LYS HHH HG3  
3065 H HD2  . LYS A 214 ? 1.046 0.938 0.781 0.168  0.194  0.031  222 LYS HHH HD2  
3066 H HD3  . LYS A 214 ? 1.001 0.908 0.794 0.139  0.196  0.033  222 LYS HHH HD3  
3067 H HE2  . LYS A 214 ? 1.090 0.958 0.781 0.179  0.186  0.043  222 LYS HHH HE2  
3068 H HE3  . LYS A 214 ? 1.093 0.955 0.814 0.165  0.222  0.056  222 LYS HHH HE3  
3069 H HZ1  . LYS A 214 ? 1.020 0.917 0.816 0.126  0.187  0.044  222 LYS HHH HZ1  
3070 H HZ2  . LYS A 214 ? 1.061 0.931 0.810 0.143  0.196  0.055  222 LYS HHH HZ2  
3071 H HZ3  . LYS A 214 ? 1.030 0.923 0.788 0.142  0.163  0.038  222 LYS HHH HZ3  
3072 N N    . VAL A 215 ? 0.784 0.755 0.609 0.147  0.101  -0.033 223 VAL HHH N    
3073 C CA   . VAL A 215 ? 0.780 0.757 0.607 0.155  0.102  -0.042 223 VAL HHH CA   
3074 C C    . VAL A 215 ? 0.736 0.718 0.595 0.143  0.124  -0.036 223 VAL HHH C    
3075 O O    . VAL A 215 ? 0.694 0.686 0.592 0.123  0.121  -0.034 223 VAL HHH O    
3076 C CB   . VAL A 215 ? 0.772 0.763 0.620 0.151  0.074  -0.059 223 VAL HHH CB   
3077 C CG1  . VAL A 215 ? 0.775 0.772 0.630 0.157  0.075  -0.069 223 VAL HHH CG1  
3078 C CG2  . VAL A 215 ? 0.803 0.790 0.624 0.164  0.053  -0.069 223 VAL HHH CG2  
3079 H H    . VAL A 215 ? 0.761 0.740 0.615 0.132  0.097  -0.032 223 VAL HHH H    
3080 H HA   . VAL A 215 ? 0.810 0.777 0.605 0.173  0.108  -0.043 223 VAL HHH HA   
3081 H HB   . VAL A 215 ? 0.743 0.742 0.619 0.135  0.069  -0.058 223 VAL HHH HB   
3082 H HG11 . VAL A 215 ? 0.758 0.762 0.640 0.145  0.080  -0.067 223 VAL HHH HG11 
3083 H HG12 . VAL A 215 ? 0.771 0.772 0.628 0.160  0.057  -0.081 223 VAL HHH HG12 
3084 H HG13 . VAL A 215 ? 0.805 0.794 0.634 0.171  0.087  -0.067 223 VAL HHH HG13 
3085 H HG21 . VAL A 215 ? 0.829 0.807 0.617 0.182  0.058  -0.070 223 VAL HHH HG21 
3086 H HG22 . VAL A 215 ? 0.784 0.779 0.620 0.162  0.037  -0.080 223 VAL HHH HG22 
3087 H HG23 . VAL A 215 ? 0.789 0.774 0.611 0.159  0.051  -0.063 223 VAL HHH HG23 
3088 N N    . ASP A 216 ? 0.758 0.734 0.601 0.155  0.145  -0.033 224 ASP HHH N    
3089 C CA   . ASP A 216 ? 0.782 0.767 0.660 0.145  0.164  -0.032 224 ASP HHH CA   
3090 C C    . ASP A 216 ? 0.769 0.765 0.654 0.152  0.152  -0.046 224 ASP HHH C    
3091 O O    . ASP A 216 ? 0.821 0.808 0.667 0.173  0.153  -0.051 224 ASP HHH O    
3092 C CB   . ASP A 216 ? 0.816 0.785 0.676 0.154  0.201  -0.018 224 ASP HHH CB   
3093 C CG   . ASP A 216 ? 0.849 0.807 0.709 0.146  0.214  -0.003 224 ASP HHH CG   
3094 O OD1  . ASP A 216 ? 0.814 0.782 0.707 0.127  0.201  -0.004 224 ASP HHH OD1  
3095 O OD2  . ASP A 216 ? 0.938 0.874 0.762 0.160  0.239  0.009  224 ASP HHH OD2  
3096 H H    . ASP A 216 ? 0.797 0.762 0.607 0.171  0.149  -0.033 224 ASP HHH H    
3097 H HA   . ASP A 216 ? 0.745 0.739 0.656 0.129  0.161  -0.031 224 ASP HHH HA   
3098 H HB2  . ASP A 216 ? 0.855 0.814 0.678 0.172  0.204  -0.018 224 ASP HHH HB2  
3099 H HB3  . ASP A 216 ? 0.819 0.796 0.705 0.148  0.213  -0.019 224 ASP HHH HB3  
3100 N N    . LYS A 217 ? 0.714 0.727 0.642 0.137  0.139  -0.054 225 LYS HHH N    
3101 C CA   . LYS A 217 ? 0.712 0.734 0.647 0.143  0.126  -0.069 225 LYS HHH CA   
3102 C C    . LYS A 217 ? 0.691 0.724 0.661 0.136  0.141  -0.070 225 LYS HHH C    
3103 O O    . LYS A 217 ? 0.669 0.713 0.679 0.119  0.139  -0.069 225 LYS HHH O    
3104 C CB   . LYS A 217 ? 0.720 0.750 0.673 0.134  0.096  -0.079 225 LYS HHH CB   
3105 C CG   . LYS A 217 ? 0.775 0.811 0.733 0.141  0.082  -0.094 225 LYS HHH CG   
3106 C CD   . LYS A 217 ? 0.834 0.861 0.750 0.164  0.080  -0.101 225 LYS HHH CD   
3107 C CE   . LYS A 217 ? 0.922 0.953 0.841 0.173  0.071  -0.116 225 LYS HHH CE   
3108 N NZ   . LYS A 217 ? 0.991 1.015 0.878 0.191  0.054  -0.129 225 LYS HHH NZ   
3109 H H    . LYS A 217 ? 0.696 0.715 0.650 0.123  0.137  -0.052 225 LYS HHH H    
3110 H HA   . LYS A 217 ? 0.743 0.757 0.648 0.158  0.128  -0.072 225 LYS HHH HA   
3111 H HB2  . LYS A 217 ? 0.725 0.749 0.661 0.136  0.087  -0.078 225 LYS HHH HB2  
3112 H HB3  . LYS A 217 ? 0.699 0.736 0.680 0.120  0.094  -0.076 225 LYS HHH HB3  
3113 H HG2  . LYS A 217 ? 0.748 0.787 0.720 0.134  0.065  -0.099 225 LYS HHH HG2  
3114 H HG3  . LYS A 217 ? 0.765 0.806 0.740 0.139  0.090  -0.095 225 LYS HHH HG3  
3115 H HD2  . LYS A 217 ? 0.868 0.888 0.764 0.172  0.098  -0.094 225 LYS HHH HD2  
3116 H HD3  . LYS A 217 ? 0.847 0.870 0.750 0.166  0.068  -0.103 225 LYS HHH HD3  
3117 H HE2  . LYS A 217 ? 0.887 0.926 0.835 0.162  0.061  -0.120 225 LYS HHH HE2  
3118 H HE3  . LYS A 217 ? 0.926 0.958 0.843 0.179  0.087  -0.115 225 LYS HHH HE3  
3119 H HZ1  . LYS A 217 ? 1.000 1.017 0.859 0.202  0.063  -0.125 225 LYS HHH HZ1  
3120 H HZ2  . LYS A 217 ? 0.981 1.008 0.872 0.196  0.048  -0.139 225 LYS HHH HZ2  
3121 H HZ3  . LYS A 217 ? 0.962 0.987 0.856 0.185  0.040  -0.132 225 LYS HHH HZ3  
3122 N N    . ARG A 218 ? 0.699 0.731 0.655 0.151  0.156  -0.074 226 ARG HHH N    
3123 C CA   . ARG A 218 ? 0.720 0.764 0.710 0.147  0.171  -0.077 226 ARG HHH CA   
3124 C C    . ARG A 218 ? 0.690 0.747 0.707 0.142  0.145  -0.092 226 ARG HHH C    
3125 O O    . ARG A 218 ? 0.725 0.778 0.720 0.152  0.126  -0.101 226 ARG HHH O    
3126 C CB   . ARG A 218 ? 0.776 0.810 0.734 0.167  0.196  -0.075 226 ARG HHH CB   
3127 C CG   . ARG A 218 ? 0.814 0.860 0.806 0.165  0.219  -0.077 226 ARG HHH CG   
3128 C CD   . ARG A 218 ? 0.894 0.928 0.845 0.188  0.239  -0.077 226 ARG HHH CD   
3129 N NE   . ARG A 218 ? 0.956 0.992 0.925 0.189  0.276  -0.071 226 ARG HHH NE   
3130 C CZ   . ARG A 218 ? 0.991 1.013 0.949 0.191  0.310  -0.056 226 ARG HHH CZ   
3131 N NH1  . ARG A 218 ? 1.012 1.015 0.936 0.193  0.311  -0.044 226 ARG HHH NH1  
3132 N NH2  . ARG A 218 ? 0.985 1.010 0.966 0.191  0.344  -0.053 226 ARG HHH NH2  
3133 H H    . ARG A 218 ? 0.734 0.757 0.658 0.165  0.157  -0.075 226 ARG HHH H    
3134 H HA   . ARG A 218 ? 0.705 0.754 0.721 0.136  0.182  -0.071 226 ARG HHH HA   
3135 H HB2  . ARG A 218 ? 0.801 0.823 0.736 0.172  0.210  -0.065 226 ARG HHH HB2  
3136 H HB3  . ARG A 218 ? 0.792 0.823 0.728 0.179  0.184  -0.083 226 ARG HHH HB3  
3137 H HG2  . ARG A 218 ? 0.792 0.850 0.810 0.159  0.206  -0.087 226 ARG HHH HG2  
3138 H HG3  . ARG A 218 ? 0.810 0.856 0.821 0.155  0.236  -0.069 226 ARG HHH HG3  
3139 H HD2  . ARG A 218 ? 0.918 0.937 0.830 0.198  0.242  -0.071 226 ARG HHH HD2  
3140 H HD3  . ARG A 218 ? 0.895 0.933 0.841 0.195  0.224  -0.088 226 ARG HHH HD3  
3141 H HE   . ARG A 218 ? 0.942 0.989 0.932 0.188  0.276  -0.079 226 ARG HHH HE   
3142 H HH11 . ARG A 218 ? 0.995 0.998 0.906 0.193  0.289  -0.046 226 ARG HHH HH11 
3143 H HH12 . ARG A 218 ? 1.028 1.020 0.944 0.194  0.334  -0.033 226 ARG HHH HH12 
3144 H HH21 . ARG A 218 ? 0.984 1.023 0.989 0.190  0.343  -0.061 226 ARG HHH HH21 
3145 H HH22 . ARG A 218 ? 1.013 1.028 0.988 0.191  0.368  -0.042 226 ARG HHH HH22 
3146 N N    . VAL A 219 ? 0.664 0.736 0.727 0.129  0.144  -0.095 227 VAL HHH N    
3147 C CA   . VAL A 219 ? 0.644 0.727 0.733 0.126  0.122  -0.107 227 VAL HHH CA   
3148 C C    . VAL A 219 ? 0.664 0.758 0.774 0.132  0.136  -0.115 227 VAL HHH C    
3149 O O    . VAL A 219 ? 0.659 0.762 0.800 0.124  0.154  -0.112 227 VAL HHH O    
3150 C CB   . VAL A 219 ? 0.612 0.702 0.733 0.109  0.106  -0.106 227 VAL HHH CB   
3151 C CG1  . VAL A 219 ? 0.590 0.686 0.732 0.108  0.084  -0.117 227 VAL HHH CG1  
3152 C CG2  . VAL A 219 ? 0.599 0.679 0.700 0.103  0.097  -0.097 227 VAL HHH CG2  
3153 H H    . VAL A 219 ? 0.659 0.735 0.742 0.121  0.157  -0.090 227 VAL HHH H    
3154 H HA   . VAL A 219 ? 0.651 0.728 0.720 0.132  0.109  -0.112 227 VAL HHH HA   
3155 H HB   . VAL A 219 ? 0.605 0.702 0.749 0.103  0.119  -0.103 227 VAL HHH HB   
3156 H HG11 . VAL A 219 ? 0.592 0.697 0.754 0.109  0.090  -0.121 227 VAL HHH HG11 
3157 H HG12 . VAL A 219 ? 0.575 0.671 0.728 0.099  0.073  -0.115 227 VAL HHH HG12 
3158 H HG13 . VAL A 219 ? 0.599 0.689 0.723 0.115  0.075  -0.121 227 VAL HHH HG13 
3159 H HG21 . VAL A 219 ? 0.608 0.680 0.687 0.109  0.087  -0.100 227 VAL HHH HG21 
3160 H HG22 . VAL A 219 ? 0.581 0.664 0.700 0.094  0.087  -0.097 227 VAL HHH HG22 
3161 H HG23 . VAL A 219 ? 0.611 0.686 0.702 0.103  0.112  -0.090 227 VAL HHH HG23 
3162 N N    . GLU A 220 ? 0.712 0.804 0.806 0.145  0.130  -0.125 228 GLU HHH N    
3163 C CA   . GLU A 220 ? 0.765 0.866 0.874 0.154  0.142  -0.133 228 GLU HHH CA   
3164 C C    . GLU A 220 ? 0.747 0.859 0.890 0.149  0.120  -0.145 228 GLU HHH C    
3165 O O    . GLU A 220 ? 0.687 0.793 0.824 0.146  0.095  -0.148 228 GLU HHH O    
3166 C CB   . GLU A 220 ? 0.832 0.924 0.902 0.174  0.144  -0.140 228 GLU HHH CB   
3167 C CG   . GLU A 220 ? 0.904 0.982 0.929 0.186  0.164  -0.129 228 GLU HHH CG   
3168 C CD   . GLU A 220 ? 0.962 1.042 0.994 0.189  0.201  -0.121 228 GLU HHH CD   
3169 O OE1  . GLU A 220 ? 1.013 1.102 1.062 0.195  0.211  -0.129 228 GLU HHH OE1  
3170 O OE2  . GLU A 220 ? 1.004 1.075 1.026 0.184  0.220  -0.107 228 GLU HHH OE2  
3171 H H    . GLU A 220 ? 0.718 0.802 0.790 0.151  0.117  -0.128 228 GLU HHH H    
3172 H HA   . GLU A 220 ? 0.768 0.875 0.893 0.151  0.161  -0.129 228 GLU HHH HA   
3173 H HB2  . GLU A 220 ? 0.828 0.916 0.888 0.176  0.124  -0.146 228 GLU HHH HB2  
3174 H HB3  . GLU A 220 ? 0.840 0.939 0.922 0.179  0.152  -0.145 228 GLU HHH HB3  
3175 H HG2  . GLU A 220 ? 0.895 0.967 0.913 0.179  0.160  -0.122 228 GLU HHH HG2  
3176 H HG3  . GLU A 220 ? 0.922 0.993 0.919 0.199  0.158  -0.135 228 GLU HHH HG3  
3177 N N    . PRO A 221 ? 0.773 0.900 0.949 0.150  0.128  -0.152 229 PRO HHH N    
3178 C CA   . PRO A 221 ? 0.753 0.887 0.953 0.151  0.108  -0.164 229 PRO HHH CA   
3179 C C    . PRO A 221 ? 0.741 0.864 0.913 0.164  0.092  -0.173 229 PRO HHH C    
3180 O O    . PRO A 221 ? 0.736 0.852 0.876 0.177  0.104  -0.174 229 PRO HHH O    
3181 C CB   . PRO A 221 ? 0.760 0.910 0.992 0.155  0.126  -0.172 229 PRO HHH CB   
3182 C CG   . PRO A 221 ? 0.774 0.929 1.017 0.148  0.154  -0.161 229 PRO HHH CG   
3183 C CD   . PRO A 221 ? 0.785 0.921 0.981 0.150  0.159  -0.149 229 PRO HHH CD   
3184 H HA   . PRO A 221 ? 0.730 0.866 0.946 0.143  0.095  -0.163 229 PRO HHH HA   
3185 H HB2  . PRO A 221 ? 0.780 0.929 0.998 0.166  0.132  -0.177 229 PRO HHH HB2  
3186 H HB3  . PRO A 221 ? 0.747 0.907 1.007 0.152  0.115  -0.178 229 PRO HHH HB3  
3187 H HG2  . PRO A 221 ? 0.784 0.946 1.037 0.153  0.172  -0.164 229 PRO HHH HG2  
3188 H HG3  . PRO A 221 ? 0.752 0.915 1.022 0.138  0.150  -0.161 229 PRO HHH HG3  
3189 H HD2  . PRO A 221 ? 0.810 0.941 0.983 0.161  0.173  -0.149 229 PRO HHH HD2  
3190 H HD3  . PRO A 221 ? 0.780 0.917 0.983 0.142  0.168  -0.141 229 PRO HHH HD3  
3191 N N    . GLU B 1   ? 0.671 0.875 0.796 0.041  0.120  0.091  1   GLU LLL N    
3192 C CA   . GLU B 1   ? 0.656 0.849 0.760 0.043  0.102  0.091  1   GLU LLL CA   
3193 C C    . GLU B 1   ? 0.649 0.826 0.716 0.051  0.107  0.104  1   GLU LLL C    
3194 O O    . GLU B 1   ? 0.662 0.827 0.727 0.050  0.123  0.116  1   GLU LLL O    
3195 C CB   . GLU B 1   ? 0.674 0.867 0.804 0.034  0.098  0.087  1   GLU LLL CB   
3196 C CG   . GLU B 1   ? 0.717 0.898 0.827 0.035  0.083  0.088  1   GLU LLL CG   
3197 C CD   . GLU B 1   ? 0.745 0.927 0.878 0.028  0.074  0.080  1   GLU LLL CD   
3198 O OE1  . GLU B 1   ? 0.762 0.958 0.921 0.025  0.069  0.067  1   GLU LLL OE1  
3199 O OE2  . GLU B 1   ? 0.778 0.948 0.904 0.026  0.071  0.085  1   GLU LLL OE2  
3200 H H1   . GLU B 1   ? 0.660 0.875 0.809 0.038  0.117  0.081  1   GLU LLL H1   
3201 H H2   . GLU B 1   ? 0.682 0.878 0.812 0.038  0.134  0.098  1   GLU LLL H2   
3202 H H3   . GLU B 1   ? 0.675 0.880 0.785 0.048  0.122  0.092  1   GLU LLL H3   
3203 H HA   . GLU B 1   ? 0.647 0.846 0.745 0.047  0.090  0.084  1   GLU LLL HA   
3204 H HB2  . GLU B 1   ? 0.669 0.873 0.819 0.032  0.093  0.076  1   GLU LLL HB2  
3205 H HB3  . GLU B 1   ? 0.689 0.877 0.830 0.030  0.111  0.092  1   GLU LLL HB3  
3206 H HG2  . GLU B 1   ? 0.725 0.895 0.821 0.036  0.090  0.098  1   GLU LLL HG2  
3207 H HG3  . GLU B 1   ? 0.708 0.890 0.801 0.040  0.074  0.085  1   GLU LLL HG3  
3208 N N    . ILE B 2   ? 0.611 0.786 0.650 0.058  0.093  0.103  2   ILE LLL N    
3209 C CA   . ILE B 2   ? 0.591 0.751 0.597 0.066  0.090  0.111  2   ILE LLL CA   
3210 C C    . ILE B 2   ? 0.568 0.721 0.579 0.061  0.081  0.110  2   ILE LLL C    
3211 O O    . ILE B 2   ? 0.549 0.707 0.569 0.056  0.067  0.100  2   ILE LLL O    
3212 C CB   . ILE B 2   ? 0.583 0.746 0.564 0.075  0.079  0.105  2   ILE LLL CB   
3213 C CG1  . ILE B 2   ? 0.591 0.762 0.568 0.080  0.087  0.105  2   ILE LLL CG1  
3214 C CG2  . ILE B 2   ? 0.591 0.743 0.543 0.083  0.074  0.110  2   ILE LLL CG2  
3215 C CD1  . ILE B 2   ? 0.589 0.762 0.542 0.089  0.076  0.099  2   ILE LLL CD1  
3216 H H    . ILE B 2   ? 0.602 0.783 0.640 0.060  0.085  0.095  2   ILE LLL H    
3217 H HA   . ILE B 2   ? 0.610 0.764 0.609 0.069  0.102  0.119  2   ILE LLL HA   
3218 H HB   . ILE B 2   ? 0.568 0.735 0.555 0.071  0.068  0.097  2   ILE LLL HB   
3219 H HG12 . ILE B 2   ? 0.607 0.773 0.578 0.084  0.099  0.113  2   ILE LLL HG12 
3220 H HG13 . ILE B 2   ? 0.581 0.761 0.578 0.075  0.088  0.100  2   ILE LLL HG13 
3221 H HG21 . ILE B 2   ? 0.585 0.734 0.541 0.080  0.067  0.108  2   ILE LLL HG21 
3222 H HG22 . ILE B 2   ? 0.593 0.747 0.531 0.089  0.067  0.105  2   ILE LLL HG22 
3223 H HG23 . ILE B 2   ? 0.610 0.756 0.553 0.088  0.084  0.119  2   ILE LLL HG23 
3224 H HD11 . ILE B 2   ? 0.578 0.750 0.532 0.086  0.065  0.092  2   ILE LLL HD11 
3225 H HD12 . ILE B 2   ? 0.591 0.770 0.547 0.091  0.080  0.096  2   ILE LLL HD12 
3226 H HD13 . ILE B 2   ? 0.604 0.770 0.537 0.096  0.078  0.103  2   ILE LLL HD13 
3227 N N    . VAL B 3   ? 0.534 0.674 0.538 0.062  0.090  0.121  3   VAL LLL N    
3228 C CA   . VAL B 3   ? 0.539 0.670 0.545 0.059  0.083  0.122  3   VAL LLL CA   
3229 C C    . VAL B 3   ? 0.539 0.665 0.514 0.069  0.072  0.122  3   VAL LLL C    
3230 O O    . VAL B 3   ? 0.551 0.669 0.501 0.081  0.079  0.130  3   VAL LLL O    
3231 C CB   . VAL B 3   ? 0.557 0.676 0.573 0.055  0.099  0.132  3   VAL LLL CB   
3232 C CG1  . VAL B 3   ? 0.557 0.665 0.571 0.054  0.091  0.134  3   VAL LLL CG1  
3233 C CG2  . VAL B 3   ? 0.544 0.671 0.596 0.044  0.110  0.128  3   VAL LLL CG2  
3234 H H    . VAL B 3   ? 0.565 0.699 0.561 0.066  0.101  0.128  3   VAL LLL H    
3235 H HA   . VAL B 3   ? 0.519 0.656 0.540 0.053  0.074  0.114  3   VAL LLL HA   
3236 H HB   . VAL B 3   ? 0.577 0.687 0.574 0.063  0.108  0.141  3   VAL LLL HB   
3237 H HG11 . VAL B 3   ? 0.569 0.669 0.560 0.062  0.089  0.138  3   VAL LLL HG11 
3238 H HG12 . VAL B 3   ? 0.563 0.665 0.590 0.049  0.101  0.138  3   VAL LLL HG12 
3239 H HG13 . VAL B 3   ? 0.538 0.653 0.560 0.050  0.079  0.125  3   VAL LLL HG13 
3240 H HG21 . VAL B 3   ? 0.527 0.663 0.594 0.039  0.099  0.119  3   VAL LLL HG21 
3241 H HG22 . VAL B 3   ? 0.556 0.675 0.617 0.040  0.120  0.134  3   VAL LLL HG22 
3242 H HG23 . VAL B 3   ? 0.551 0.684 0.603 0.046  0.117  0.129  3   VAL LLL HG23 
3243 N N    . LEU B 4   ? 0.496 0.625 0.473 0.066  0.056  0.113  4   LEU LLL N    
3244 C CA   . LEU B 4   ? 0.516 0.641 0.471 0.075  0.045  0.110  4   LEU LLL CA   
3245 C C    . LEU B 4   ? 0.516 0.632 0.474 0.074  0.043  0.113  4   LEU LLL C    
3246 O O    . LEU B 4   ? 0.502 0.620 0.481 0.064  0.040  0.110  4   LEU LLL O    
3247 C CB   . LEU B 4   ? 0.496 0.630 0.454 0.072  0.032  0.097  4   LEU LLL CB   
3248 C CG   . LEU B 4   ? 0.489 0.631 0.444 0.073  0.033  0.092  4   LEU LLL CG   
3249 C CD1  . LEU B 4   ? 0.485 0.631 0.442 0.070  0.022  0.080  4   LEU LLL CD1  
3250 C CD2  . LEU B 4   ? 0.525 0.667 0.458 0.085  0.038  0.097  4   LEU LLL CD2  
3251 H H    . LEU B 4   ? 0.491 0.624 0.484 0.060  0.052  0.108  4   LEU LLL H    
3252 H HA   . LEU B 4   ? 0.528 0.651 0.466 0.084  0.048  0.114  4   LEU LLL HA   
3253 H HB2  . LEU B 4   ? 0.482 0.617 0.454 0.065  0.029  0.093  4   LEU LLL HB2  
3254 H HB3  . LEU B 4   ? 0.499 0.632 0.445 0.077  0.025  0.093  4   LEU LLL HB3  
3255 H HG   . LEU B 4   ? 0.491 0.635 0.460 0.068  0.039  0.094  4   LEU LLL HG   
3256 H HD11 . LEU B 4   ? 0.471 0.615 0.440 0.063  0.020  0.077  4   LEU LLL HD11 
3257 H HD12 . LEU B 4   ? 0.482 0.631 0.435 0.071  0.023  0.077  4   LEU LLL HD12 
3258 H HD13 . LEU B 4   ? 0.485 0.629 0.433 0.073  0.017  0.076  4   LEU LLL HD13 
3259 H HD21 . LEU B 4   ? 0.528 0.667 0.448 0.091  0.033  0.096  4   LEU LLL HD21 
3260 H HD22 . LEU B 4   ? 0.518 0.664 0.447 0.086  0.036  0.092  4   LEU LLL HD22 
3261 H HD23 . LEU B 4   ? 0.531 0.669 0.464 0.086  0.048  0.105  4   LEU LLL HD23 
3262 N N    . THR B 5   ? 0.555 0.663 0.491 0.086  0.044  0.120  5   THR LLL N    
3263 C CA   . THR B 5   ? 0.554 0.651 0.486 0.089  0.041  0.124  5   THR LLL CA   
3264 C C    . THR B 5   ? 0.554 0.657 0.473 0.097  0.025  0.113  5   THR LLL C    
3265 O O    . THR B 5   ? 0.570 0.674 0.466 0.111  0.022  0.112  5   THR LLL O    
3266 C CB   . THR B 5   ? 0.594 0.674 0.507 0.099  0.056  0.139  5   THR LLL CB   
3267 O OG1  . THR B 5   ? 0.584 0.661 0.514 0.089  0.072  0.146  5   THR LLL OG1  
3268 C CG2  . THR B 5   ? 0.606 0.671 0.513 0.103  0.055  0.144  5   THR LLL CG2  
3269 H H    . THR B 5   ? 0.563 0.669 0.481 0.094  0.046  0.122  5   THR LLL H    
3270 H HA   . THR B 5   ? 0.545 0.642 0.495 0.079  0.041  0.122  5   THR LLL HA   
3271 H HB   . THR B 5   ? 0.606 0.684 0.497 0.110  0.055  0.140  5   THR LLL HB   
3273 H HG21 . THR B 5   ? 0.611 0.677 0.504 0.112  0.044  0.140  5   THR LLL HG21 
3274 H HG22 . THR B 5   ? 0.628 0.680 0.526 0.107  0.067  0.155  5   THR LLL HG22 
3275 H HG23 . THR B 5   ? 0.589 0.657 0.517 0.093  0.052  0.141  5   THR LLL HG23 
3276 N N    . GLN B 6   ? 0.535 0.643 0.470 0.089  0.015  0.104  6   GLN LLL N    
3277 C CA   . GLN B 6   ? 0.530 0.645 0.461 0.095  0.001  0.092  6   GLN LLL CA   
3278 C C    . GLN B 6   ? 0.582 0.688 0.505 0.103  -0.002 0.096  6   GLN LLL C    
3279 O O    . GLN B 6   ? 0.604 0.700 0.535 0.098  0.006  0.105  6   GLN LLL O    
3280 C CB   . GLN B 6   ? 0.481 0.604 0.433 0.082  -0.005 0.079  6   GLN LLL CB   
3281 C CG   . GLN B 6   ? 0.463 0.593 0.419 0.076  -0.004 0.074  6   GLN LLL CG   
3282 C CD   . GLN B 6   ? 0.438 0.572 0.409 0.065  -0.008 0.063  6   GLN LLL CD   
3283 O OE1  . GLN B 6   ? 0.416 0.546 0.397 0.056  -0.005 0.064  6   GLN LLL OE1  
3284 N NE2  . GLN B 6   ? 0.420 0.558 0.393 0.067  -0.016 0.051  6   GLN LLL NE2  
3285 H H    . GLN B 6   ? 0.523 0.630 0.474 0.080  0.017  0.104  6   GLN LLL H    
3286 H HA   . GLN B 6   ? 0.541 0.660 0.459 0.103  -0.002 0.088  6   GLN LLL HA   
3287 H HB2  . GLN B 6   ? 0.477 0.596 0.441 0.074  -0.002 0.083  6   GLN LLL HB2  
3288 H HB3  . GLN B 6   ? 0.483 0.611 0.435 0.084  -0.013 0.071  6   GLN LLL HB3  
3289 H HG2  . GLN B 6   ? 0.472 0.605 0.416 0.083  -0.006 0.071  6   GLN LLL HG2  
3290 H HG3  . GLN B 6   ? 0.464 0.591 0.422 0.073  0.003  0.081  6   GLN LLL HG3  
3293 N N    . SER B 7   ? 0.592 0.702 0.500 0.117  -0.013 0.088  7   SER LLL N    
3294 C CA   . SER B 7   ? 0.643 0.748 0.544 0.128  -0.019 0.088  7   SER LLL CA   
3295 C C    . SER B 7   ? 0.649 0.770 0.553 0.135  -0.035 0.069  7   SER LLL C    
3296 O O    . SER B 7   ? 0.613 0.746 0.517 0.136  -0.040 0.058  7   SER LLL O    
3297 C CB   . SER B 7   ? 0.696 0.783 0.567 0.145  -0.011 0.104  7   SER LLL CB   
3298 O OG   . SER B 7   ? 0.699 0.790 0.547 0.159  -0.014 0.101  7   SER LLL OG   
3299 H H    . SER B 7   ? 0.601 0.720 0.504 0.122  -0.018 0.080  7   SER LLL H    
3300 H HA   . SER B 7   ? 0.631 0.732 0.546 0.119  -0.017 0.090  7   SER LLL HA   
3301 H HB2  . SER B 7   ? 0.700 0.782 0.565 0.153  -0.016 0.104  7   SER LLL HB2  
3302 H HB3  . SER B 7   ? 0.691 0.768 0.564 0.138  0.001  0.115  7   SER LLL HB3  
3304 N N    . PRO B 8   ? 0.692 0.814 0.603 0.138  -0.043 0.063  8   PRO LLL N    
3305 C CA   . PRO B 8   ? 0.667 0.775 0.584 0.132  -0.036 0.075  8   PRO LLL CA   
3306 C C    . PRO B 8   ? 0.609 0.720 0.555 0.110  -0.031 0.073  8   PRO LLL C    
3307 O O    . PRO B 8   ? 0.591 0.713 0.548 0.101  -0.032 0.064  8   PRO LLL O    
3308 C CB   . PRO B 8   ? 0.706 0.819 0.623 0.143  -0.049 0.065  8   PRO LLL CB   
3309 C CG   . PRO B 8   ? 0.714 0.849 0.644 0.143  -0.061 0.043  8   PRO LLL CG   
3310 C CD   . PRO B 8   ? 0.710 0.849 0.627 0.146  -0.059 0.043  8   PRO LLL CD   
3311 H HA   . PRO B 8   ? 0.689 0.783 0.591 0.137  -0.028 0.088  8   PRO LLL HA   
3312 H HB2  . PRO B 8   ? 0.695 0.804 0.624 0.136  -0.048 0.066  8   PRO LLL HB2  
3313 H HB3  . PRO B 8   ? 0.728 0.832 0.624 0.159  -0.050 0.070  8   PRO LLL HB3  
3314 H HG2  . PRO B 8   ? 0.685 0.827 0.637 0.129  -0.060 0.037  8   PRO LLL HG2  
3315 H HG3  . PRO B 8   ? 0.717 0.858 0.643 0.155  -0.071 0.034  8   PRO LLL HG3  
3316 H HD2  . PRO B 8   ? 0.691 0.841 0.623 0.137  -0.061 0.033  8   PRO LLL HD2  
3317 H HD3  . PRO B 8   ? 0.727 0.867 0.627 0.162  -0.065 0.041  8   PRO LLL HD3  
3318 N N    . GLY B 9   ? 0.616 0.715 0.570 0.103  -0.025 0.082  9   GLY LLL N    
3319 C CA   . GLY B 9   ? 0.574 0.675 0.553 0.085  -0.022 0.079  9   GLY LLL CA   
3320 C C    . GLY B 9   ? 0.560 0.673 0.553 0.082  -0.032 0.063  9   GLY LLL C    
3321 O O    . GLY B 9   ? 0.534 0.653 0.541 0.069  -0.031 0.056  9   GLY LLL O    
3322 H H    . GLY B 9   ? 0.626 0.715 0.570 0.110  -0.022 0.090  9   GLY LLL H    
3323 H HA2  . GLY B 9   ? 0.570 0.673 0.552 0.078  -0.018 0.080  9   GLY LLL HA2  
3324 H HA3  . GLY B 9   ? 0.583 0.674 0.564 0.083  -0.018 0.087  9   GLY LLL HA3  
3325 N N    . THR B 10  ? 0.579 0.695 0.566 0.094  -0.041 0.057  10  THR LLL N    
3326 C CA   . THR B 10  ? 0.572 0.702 0.576 0.091  -0.049 0.040  10  THR LLL CA   
3327 C C    . THR B 10  ? 0.575 0.716 0.571 0.107  -0.061 0.028  10  THR LLL C    
3328 O O    . THR B 10  ? 0.639 0.774 0.615 0.124  -0.064 0.035  10  THR LLL O    
3329 C CB   . THR B 10  ? 0.592 0.714 0.608 0.086  -0.048 0.042  10  THR LLL CB   
3330 O OG1  . THR B 10  ? 0.572 0.684 0.594 0.073  -0.039 0.052  10  THR LLL OG1  
3331 C CG2  . THR B 10  ? 0.577 0.711 0.612 0.081  -0.054 0.025  10  THR LLL CG2  
3332 H H    . THR B 10  ? 0.596 0.707 0.569 0.105  -0.042 0.062  10  THR LLL H    
3333 H HA   . THR B 10  ? 0.559 0.694 0.573 0.082  -0.047 0.034  10  THR LLL HA   
3334 H HB   . THR B 10  ? 0.600 0.715 0.606 0.095  -0.050 0.048  10  THR LLL HB   
3336 H HG21 . THR B 10  ? 0.585 0.727 0.619 0.091  -0.061 0.018  10  THR LLL HG21 
3337 H HG22 . THR B 10  ? 0.572 0.701 0.615 0.076  -0.052 0.027  10  THR LLL HG22 
3338 H HG23 . THR B 10  ? 0.567 0.707 0.609 0.074  -0.052 0.018  10  THR LLL HG23 
3339 N N    . LEU B 11  ? 0.549 0.708 0.562 0.103  -0.066 0.009  11  LEU LLL N    
3340 C CA   . LEU B 11  ? 0.591 0.766 0.605 0.116  -0.079 -0.008 11  LEU LLL CA   
3341 C C    . LEU B 11  ? 0.563 0.751 0.605 0.109  -0.082 -0.026 11  LEU LLL C    
3342 O O    . LEU B 11  ? 0.536 0.726 0.597 0.092  -0.074 -0.031 11  LEU LLL O    
3343 C CB   . LEU B 11  ? 0.625 0.808 0.637 0.114  -0.077 -0.014 11  LEU LLL CB   
3344 C CG   . LEU B 11  ? 0.685 0.882 0.689 0.131  -0.090 -0.029 11  LEU LLL CG   
3345 C CD1  . LEU B 11  ? 0.721 0.911 0.696 0.154  -0.097 -0.019 11  LEU LLL CD1  
3346 C CD2  . LEU B 11  ? 0.699 0.898 0.697 0.126  -0.085 -0.029 11  LEU LLL CD2  
3347 H H    . LEU B 11  ? 0.545 0.706 0.571 0.091  -0.062 0.006  11  LEU LLL H    
3348 H HA   . LEU B 11  ? 0.607 0.779 0.605 0.131  -0.084 -0.004 11  LEU LLL HA   
3349 H HB2  . LEU B 11  ? 0.628 0.801 0.627 0.112  -0.071 -0.001 11  LEU LLL HB2  
3350 H HB3  . LEU B 11  ? 0.611 0.798 0.640 0.101  -0.074 -0.022 11  LEU LLL HB3  
3351 H HG   . LEU B 11  ? 0.675 0.886 0.697 0.130  -0.096 -0.045 11  LEU LLL HG   
3352 H HD11 . LEU B 11  ? 0.722 0.916 0.702 0.160  -0.104 -0.025 11  LEU LLL HD11 
3353 H HD12 . LEU B 11  ? 0.731 0.927 0.695 0.165  -0.104 -0.025 11  LEU LLL HD12 
3354 H HD13 . LEU B 11  ? 0.724 0.898 0.684 0.153  -0.089 -0.002 11  LEU LLL HD13 
3355 H HD21 . LEU B 11  ? 0.700 0.887 0.681 0.128  -0.080 -0.014 11  LEU LLL HD21 
3356 H HD22 . LEU B 11  ? 0.703 0.913 0.698 0.136  -0.094 -0.041 11  LEU LLL HD22 
3357 H HD23 . LEU B 11  ? 0.678 0.879 0.692 0.112  -0.080 -0.034 11  LEU LLL HD23 
3358 N N    . SER B 12  ? 0.553 0.749 0.598 0.122  -0.093 -0.034 12  SER LLL N    
3359 C CA   . SER B 12  ? 0.542 0.752 0.616 0.116  -0.096 -0.052 12  SER LLL CA   
3360 C C    . SER B 12  ? 0.538 0.772 0.625 0.127  -0.109 -0.077 12  SER LLL C    
3361 O O    . SER B 12  ? 0.553 0.790 0.624 0.148  -0.121 -0.079 12  SER LLL O    
3362 C CB   . SER B 12  ? 0.566 0.768 0.638 0.122  -0.098 -0.046 12  SER LLL CB   
3363 O OG   . SER B 12  ? 0.570 0.748 0.622 0.119  -0.090 -0.022 12  SER LLL OG   
3364 H H    . SER B 12  ? 0.575 0.767 0.603 0.136  -0.099 -0.030 12  SER LLL H    
3365 H HA   . SER B 12  ? 0.528 0.737 0.616 0.101  -0.087 -0.054 12  SER LLL HA   
3366 H HB2  . SER B 12  ? 0.577 0.784 0.641 0.138  -0.109 -0.051 12  SER LLL HB2  
3367 H HB3  . SER B 12  ? 0.550 0.757 0.642 0.113  -0.096 -0.054 12  SER LLL HB3  
3369 N N    . LEU B 13  ? 0.559 0.808 0.673 0.115  -0.105 -0.096 13  LEU LLL N    
3370 C CA   . LEU B 13  ? 0.589 0.863 0.720 0.124  -0.118 -0.123 13  LEU LLL CA   
3371 C C    . LEU B 13  ? 0.578 0.870 0.752 0.109  -0.113 -0.147 13  LEU LLL C    
3372 O O    . LEU B 13  ? 0.566 0.845 0.750 0.090  -0.097 -0.140 13  LEU LLL O    
3373 C CB   . LEU B 13  ? 0.609 0.884 0.729 0.124  -0.117 -0.123 13  LEU LLL CB   
3374 C CG   . LEU B 13  ? 0.639 0.897 0.717 0.138  -0.119 -0.100 13  LEU LLL CG   
3375 C CD1  . LEU B 13  ? 0.656 0.911 0.727 0.132  -0.113 -0.098 13  LEU LLL CD1  
3376 C CD2  . LEU B 13  ? 0.656 0.922 0.715 0.166  -0.137 -0.106 13  LEU LLL CD2  
3377 H H    . LEU B 13  ? 0.543 0.787 0.667 0.100  -0.095 -0.094 13  LEU LLL H    
3378 H HA   . LEU B 13  ? 0.602 0.882 0.724 0.141  -0.130 -0.126 13  LEU LLL HA   
3379 H HB2  . LEU B 13  ? 0.595 0.864 0.724 0.108  -0.105 -0.121 13  LEU LLL HB2  
3380 H HB3  . LEU B 13  ? 0.612 0.905 0.745 0.131  -0.126 -0.142 13  LEU LLL HB3  
3381 H HG   . LEU B 13  ? 0.635 0.877 0.703 0.133  -0.112 -0.083 13  LEU LLL HG   
3382 H HD11 . LEU B 13  ? 0.637 0.882 0.711 0.117  -0.101 -0.089 13  LEU LLL HD11 
3383 H HD12 . LEU B 13  ? 0.664 0.912 0.709 0.143  -0.116 -0.087 13  LEU LLL HD12 
3384 H HD13 . LEU B 13  ? 0.648 0.919 0.735 0.132  -0.118 -0.117 13  LEU LLL HD13 
3385 H HD21 . LEU B 13  ? 0.663 0.945 0.732 0.172  -0.146 -0.124 13  LEU LLL HD21 
3386 H HD22 . LEU B 13  ? 0.672 0.924 0.703 0.175  -0.136 -0.090 13  LEU LLL HD22 
3387 H HD23 . LEU B 13  ? 0.662 0.927 0.724 0.171  -0.140 -0.106 13  LEU LLL HD23 
3388 N N    . SER B 14  ? 0.553 0.870 0.749 0.119  -0.126 -0.174 14  SER LLL N    
3389 C CA   . SER B 14  ? 0.552 0.891 0.794 0.107  -0.122 -0.203 14  SER LLL CA   
3390 C C    . SER B 14  ? 0.547 0.886 0.802 0.091  -0.110 -0.211 14  SER LLL C    
3391 O O    . SER B 14  ? 0.600 0.943 0.841 0.099  -0.117 -0.213 14  SER LLL O    
3392 C CB   . SER B 14  ? 0.572 0.942 0.834 0.126  -0.142 -0.232 14  SER LLL CB   
3393 O OG   . SER B 14  ? 0.581 0.953 0.840 0.139  -0.151 -0.230 14  SER LLL OG   
3394 H H    . SER B 14  ? 0.576 0.901 0.761 0.136  -0.138 -0.178 14  SER LLL H    
3395 H HA   . SER B 14  ? 0.543 0.877 0.796 0.097  -0.113 -0.200 14  SER LLL HA   
3396 H HB2  . SER B 14  ? 0.582 0.955 0.827 0.140  -0.153 -0.233 14  SER LLL HB2  
3397 H HB3  . SER B 14  ? 0.564 0.950 0.859 0.117  -0.139 -0.254 14  SER LLL HB3  
3399 N N    . PRO B 15  ? 0.530 0.867 0.815 0.069  -0.092 -0.221 15  PRO LLL N    
3400 C CA   . PRO B 15  ? 0.527 0.867 0.831 0.055  -0.081 -0.235 15  PRO LLL CA   
3401 C C    . PRO B 15  ? 0.521 0.893 0.845 0.070  -0.100 -0.265 15  PRO LLL C    
3402 O O    . PRO B 15  ? 0.529 0.923 0.869 0.084  -0.116 -0.281 15  PRO LLL O    
3403 C CB   . PRO B 15  ? 0.544 0.882 0.883 0.033  -0.060 -0.246 15  PRO LLL CB   
3404 C CG   . PRO B 15  ? 0.523 0.849 0.851 0.034  -0.058 -0.230 15  PRO LLL CG   
3405 C CD   . PRO B 15  ? 0.529 0.862 0.831 0.058  -0.081 -0.220 15  PRO LLL CD   
3406 H HA   . PRO B 15  ? 0.529 0.852 0.811 0.051  -0.075 -0.219 15  PRO LLL HA   
3407 H HB2  . PRO B 15  ? 0.535 0.893 0.906 0.032  -0.062 -0.271 15  PRO LLL HB2  
3408 H HB3  . PRO B 15  ? 0.533 0.854 0.867 0.021  -0.046 -0.240 15  PRO LLL HB3  
3409 H HG2  . PRO B 15  ? 0.525 0.861 0.880 0.029  -0.053 -0.244 15  PRO LLL HG2  
3410 H HG3  . PRO B 15  ? 0.524 0.828 0.834 0.026  -0.047 -0.211 15  PRO LLL HG3  
3411 H HD2  . PRO B 15  ? 0.529 0.881 0.850 0.066  -0.090 -0.236 15  PRO LLL HD2  
3412 H HD3  . PRO B 15  ? 0.526 0.842 0.806 0.059  -0.078 -0.200 15  PRO LLL HD3  
3413 N N    . GLY B 16  ? 0.508 0.882 0.831 0.068  -0.100 -0.272 16  GLY LLL N    
3414 C CA   . GLY B 16  ? 0.488 0.891 0.828 0.083  -0.120 -0.301 16  GLY LLL CA   
3415 C C    . GLY B 16  ? 0.508 0.908 0.803 0.109  -0.139 -0.286 16  GLY LLL C    
3416 O O    . GLY B 16  ? 0.520 0.936 0.817 0.120  -0.152 -0.304 16  GLY LLL O    
3417 H H    . GLY B 16  ? 0.502 0.859 0.814 0.058  -0.089 -0.260 16  GLY LLL H    
3418 H HA2  . GLY B 16  ? 0.497 0.901 0.853 0.073  -0.112 -0.312 16  GLY LLL HA2  
3419 H HA3  . GLY B 16  ? 0.498 0.921 0.863 0.088  -0.127 -0.320 16  GLY LLL HA3  
3420 N N    . ALA B 17  ? 0.522 0.901 0.778 0.117  -0.139 -0.255 17  ALA LLL N    
3421 C CA   . ALA B 17  ? 0.543 0.914 0.752 0.141  -0.154 -0.238 17  ALA LLL CA   
3422 C C    . ALA B 17  ? 0.542 0.894 0.724 0.135  -0.145 -0.220 17  ALA LLL C    
3423 O O    . ALA B 17  ? 0.539 0.877 0.730 0.113  -0.126 -0.212 17  ALA LLL O    
3424 C CB   . ALA B 17  ? 0.538 0.890 0.719 0.148  -0.153 -0.212 17  ALA LLL CB   
3425 H H    . ALA B 17  ? 0.512 0.880 0.767 0.108  -0.130 -0.243 17  ALA LLL H    
3426 H HA   . ALA B 17  ? 0.553 0.942 0.766 0.157  -0.169 -0.256 17  ALA LLL HA   
3427 H HB1  . ALA B 17  ? 0.556 0.904 0.709 0.166  -0.163 -0.203 17  ALA LLL HB1  
3428 H HB2  . ALA B 17  ? 0.539 0.902 0.738 0.150  -0.158 -0.222 17  ALA LLL HB2  
3429 H HB3  . ALA B 17  ? 0.530 0.865 0.704 0.134  -0.139 -0.193 17  ALA LLL HB3  
3430 N N    . ARG B 18  ? 0.570 0.922 0.719 0.157  -0.158 -0.214 18  ARG LLL N    
3431 C CA   . ARG B 18  ? 0.583 0.917 0.700 0.158  -0.152 -0.195 18  ARG LLL CA   
3432 C C    . ARG B 18  ? 0.566 0.872 0.650 0.155  -0.140 -0.159 18  ARG LLL C    
3433 O O    . ARG B 18  ? 0.562 0.864 0.636 0.166  -0.146 -0.151 18  ARG LLL O    
3434 C CB   . ARG B 18  ? 0.634 0.980 0.729 0.184  -0.171 -0.206 18  ARG LLL CB   
3435 C CG   . ARG B 18  ? 0.705 1.034 0.761 0.190  -0.166 -0.186 18  ARG LLL CG   
3436 C CD   . ARG B 18  ? 0.792 1.132 0.823 0.222  -0.187 -0.198 18  ARG LLL CD   
3437 N NE   . ARG B 18  ? 0.859 1.189 0.861 0.228  -0.184 -0.188 18  ARG LLL NE   
3438 C CZ   . ARG B 18  ? 0.895 1.235 0.912 0.220  -0.184 -0.205 18  ARG LLL CZ   
3439 N NH1  . ARG B 18  ? 0.893 1.252 0.957 0.205  -0.184 -0.233 18  ARG LLL NH1  
3440 N NH2  . ARG B 18  ? 0.916 1.244 0.902 0.227  -0.181 -0.193 18  ARG LLL NH2  
3441 H H    . ARG B 18  ? 0.584 0.945 0.725 0.175  -0.172 -0.221 18  ARG LLL H    
3442 H HA   . ARG B 18  ? 0.572 0.904 0.704 0.142  -0.142 -0.199 18  ARG LLL HA   
3443 H HB2  . ARG B 18  ? 0.640 1.005 0.761 0.183  -0.177 -0.231 18  ARG LLL HB2  
3444 H HB3  . ARG B 18  ? 0.654 1.003 0.737 0.201  -0.181 -0.206 18  ARG LLL HB3  
3445 H HG2  . ARG B 18  ? 0.702 1.013 0.737 0.189  -0.158 -0.162 18  ARG LLL HG2  
3446 H HG3  . ARG B 18  ? 0.692 1.020 0.760 0.177  -0.158 -0.190 18  ARG LLL HG3  
3447 H HD2  . ARG B 18  ? 0.791 1.153 0.847 0.225  -0.198 -0.224 18  ARG LLL HD2  
3448 H HD3  . ARG B 18  ? 0.805 1.139 0.814 0.237  -0.192 -0.188 18  ARG LLL HD3  
3449 H HE   . ARG B 18  ? 0.870 1.186 0.841 0.237  -0.182 -0.169 18  ARG LLL HE   
3450 H HH11 . ARG B 18  ? 0.877 1.244 0.963 0.199  -0.185 -0.241 18  ARG LLL HH11 
3451 H HH12 . ARG B 18  ? 0.883 1.248 0.957 0.199  -0.183 -0.244 18  ARG LLL HH12 
3452 H HH21 . ARG B 18  ? 0.923 1.238 0.879 0.237  -0.178 -0.174 18  ARG LLL HH21 
3453 H HH22 . ARG B 18  ? 0.908 1.242 0.904 0.222  -0.180 -0.204 18  ARG LLL HH22 
3454 N N    . ALA B 19  ? 0.544 0.831 0.617 0.140  -0.125 -0.140 19  ALA LLL N    
3455 C CA   . ALA B 19  ? 0.519 0.781 0.564 0.137  -0.114 -0.107 19  ALA LLL CA   
3456 C C    . ALA B 19  ? 0.555 0.808 0.570 0.145  -0.111 -0.094 19  ALA LLL C    
3457 O O    . ALA B 19  ? 0.555 0.811 0.578 0.137  -0.108 -0.103 19  ALA LLL O    
3458 C CB   . ALA B 19  ? 0.514 0.764 0.575 0.113  -0.097 -0.099 19  ALA LLL CB   
3459 H H    . ALA B 19  ? 0.534 0.823 0.617 0.131  -0.119 -0.146 19  ALA LLL H    
3460 H HA   . ALA B 19  ? 0.541 0.800 0.575 0.148  -0.119 -0.101 19  ALA LLL HA   
3461 H HB1  . ALA B 19  ? 0.508 0.744 0.553 0.112  -0.091 -0.080 19  ALA LLL HB1  
3462 H HB2  . ALA B 19  ? 0.502 0.758 0.582 0.109  -0.098 -0.107 19  ALA LLL HB2  
3463 H HB3  . ALA B 19  ? 0.502 0.753 0.572 0.104  -0.092 -0.104 19  ALA LLL HB3  
3464 N N    . THR B 20  ? 0.564 0.803 0.545 0.160  -0.112 -0.073 20  THR LLL N    
3465 C CA   . THR B 20  ? 0.575 0.801 0.526 0.165  -0.105 -0.056 20  THR LLL CA   
3466 C C    . THR B 20  ? 0.560 0.764 0.501 0.154  -0.090 -0.029 20  THR LLL C    
3467 O O    . THR B 20  ? 0.572 0.766 0.503 0.161  -0.090 -0.017 20  THR LLL O    
3468 C CB   . THR B 20  ? 0.606 0.831 0.523 0.194  -0.117 -0.055 20  THR LLL CB   
3469 O OG1  . THR B 20  ? 0.591 0.840 0.527 0.201  -0.133 -0.084 20  THR LLL OG1  
3470 C CG2  . THR B 20  ? 0.626 0.839 0.513 0.200  -0.109 -0.040 20  THR LLL CG2  
3471 H H    . THR B 20  ? 0.574 0.810 0.548 0.168  -0.116 -0.068 20  THR LLL H    
3472 H HA   . THR B 20  ? 0.565 0.795 0.524 0.158  -0.103 -0.063 20  THR LLL HA   
3473 H HB   . THR B 20  ? 0.615 0.833 0.521 0.202  -0.118 -0.046 20  THR LLL HB   
3475 H HG21 . THR B 20  ? 0.620 0.820 0.501 0.192  -0.097 -0.022 20  THR LLL HG21 
3476 H HG22 . THR B 20  ? 0.648 0.861 0.513 0.219  -0.116 -0.040 20  THR LLL HG22 
3477 H HG23 . THR B 20  ? 0.614 0.835 0.513 0.192  -0.108 -0.049 20  THR LLL HG23 
3478 N N    . LEU B 21  ? 0.533 0.731 0.477 0.140  -0.078 -0.021 21  LEU LLL N    
3479 C CA   . LEU B 21  ? 0.536 0.717 0.475 0.129  -0.064 0.001  21  LEU LLL CA   
3480 C C    . LEU B 21  ? 0.534 0.706 0.447 0.137  -0.058 0.015  21  LEU LLL C    
3481 O O    . LEU B 21  ? 0.512 0.692 0.423 0.139  -0.061 0.005  21  LEU LLL O    
3482 C CB   . LEU B 21  ? 0.532 0.712 0.495 0.107  -0.057 -0.003 21  LEU LLL CB   
3483 C CG   . LEU B 21  ? 0.508 0.690 0.494 0.097  -0.058 -0.010 21  LEU LLL CG   
3484 C CD1  . LEU B 21  ? 0.518 0.717 0.522 0.100  -0.068 -0.033 21  LEU LLL CD1  
3485 C CD2  . LEU B 21  ? 0.493 0.667 0.493 0.079  -0.047 -0.006 21  LEU LLL CD2  
3486 H H    . LEU B 21  ? 0.534 0.738 0.484 0.136  -0.079 -0.030 21  LEU LLL H    
3487 H HA   . LEU B 21  ? 0.539 0.713 0.475 0.132  -0.064 0.009  21  LEU LLL HA   
3488 H HB2  . LEU B 21  ? 0.522 0.709 0.490 0.105  -0.059 -0.014 21  LEU LLL HB2  
3489 H HB3  . LEU B 21  ? 0.521 0.692 0.479 0.102  -0.049 0.009  21  LEU LLL HB3  
3490 H HG   . LEU B 21  ? 0.518 0.695 0.498 0.102  -0.058 -0.001 21  LEU LLL HG   
3491 H HD11 . LEU B 21  ? 0.527 0.731 0.523 0.113  -0.076 -0.036 21  LEU LLL HD11 
3492 H HD12 . LEU B 21  ? 0.504 0.704 0.524 0.091  -0.065 -0.038 21  LEU LLL HD12 
3493 H HD13 . LEU B 21  ? 0.516 0.720 0.521 0.100  -0.069 -0.042 21  LEU LLL HD13 
3494 H HD21 . LEU B 21  ? 0.488 0.665 0.494 0.074  -0.046 -0.016 21  LEU LLL HD21 
3495 H HD22 . LEU B 21  ? 0.486 0.658 0.496 0.074  -0.047 -0.008 21  LEU LLL HD22 
3496 H HD23 . LEU B 21  ? 0.492 0.657 0.483 0.077  -0.042 0.006  21  LEU LLL HD23 
3497 N N    . SER B 22  ? 0.552 0.710 0.450 0.141  -0.049 0.035  22  SER LLL N    
3498 C CA   . SER B 22  ? 0.581 0.728 0.455 0.148  -0.039 0.049  22  SER LLL CA   
3499 C C    . SER B 22  ? 0.547 0.688 0.433 0.131  -0.025 0.062  22  SER LLL C    
3500 O O    . SER B 22  ? 0.514 0.649 0.415 0.121  -0.021 0.068  22  SER LLL O    
3501 C CB   . SER B 22  ? 0.596 0.730 0.441 0.166  -0.036 0.064  22  SER LLL CB   
3502 O OG   . SER B 22  ? 0.682 0.822 0.516 0.183  -0.051 0.052  22  SER LLL OG   
3503 H H    . SER B 22  ? 0.552 0.703 0.453 0.138  -0.046 0.041  22  SER LLL H    
3504 H HA   . SER B 22  ? 0.574 0.730 0.444 0.152  -0.043 0.041  22  SER LLL HA   
3505 H HB2  . SER B 22  ? 0.614 0.738 0.464 0.160  -0.029 0.074  22  SER LLL HB2  
3506 H HB3  . SER B 22  ? 0.631 0.760 0.460 0.172  -0.030 0.070  22  SER LLL HB3  
3508 N N    . CYS B 23  ? 0.531 0.672 0.409 0.131  -0.019 0.066  23  CYS LLL N    
3509 C CA   . CYS B 23  ? 0.570 0.705 0.457 0.119  -0.005 0.077  23  CYS LLL CA   
3510 C C    . CYS B 23  ? 0.586 0.715 0.450 0.131  0.005  0.089  23  CYS LLL C    
3511 O O    . CYS B 23  ? 0.565 0.699 0.414 0.140  0.001  0.082  23  CYS LLL O    
3512 C CB   . CYS B 23  ? 0.553 0.697 0.457 0.107  -0.007 0.066  23  CYS LLL CB   
3513 S SG   . CYS B 23  ? 0.583 0.724 0.499 0.095  0.006  0.076  23  CYS LLL SG   
3514 H H    . CYS B 23  ? 0.557 0.701 0.423 0.140  -0.022 0.061  23  CYS LLL H    
3515 H HA   . CYS B 23  ? 0.554 0.684 0.451 0.113  -0.001 0.083  23  CYS LLL HA   
3516 H HB2  . CYS B 23  ? 0.548 0.695 0.465 0.100  -0.012 0.059  23  CYS LLL HB2  
3517 H HB3  . CYS B 23  ? 0.566 0.716 0.462 0.113  -0.011 0.059  23  CYS LLL HB3  
3518 N N    . ARG B 24  ? 0.636 0.751 0.496 0.130  0.019  0.105  24  ARG LLL N    
3519 C CA   . ARG B 24  ? 0.678 0.784 0.518 0.139  0.033  0.118  24  ARG LLL CA   
3520 C C    . ARG B 24  ? 0.601 0.710 0.464 0.124  0.046  0.123  24  ARG LLL C    
3521 O O    . ARG B 24  ? 0.601 0.708 0.488 0.111  0.050  0.125  24  ARG LLL O    
3522 C CB   . ARG B 24  ? 0.758 0.844 0.577 0.151  0.045  0.134  24  ARG LLL CB   
3523 C CG   . ARG B 24  ? 0.856 0.936 0.652 0.167  0.033  0.131  24  ARG LLL CG   
3524 C CD   . ARG B 24  ? 0.921 1.012 0.697 0.184  0.016  0.117  24  ARG LLL CD   
3525 N NE   . ARG B 24  ? 0.940 1.031 0.713 0.193  0.001  0.109  24  ARG LLL NE   
3526 C CZ   . ARG B 24  ? 0.978 1.053 0.724 0.211  0.002  0.118  24  ARG LLL CZ   
3527 N NH1  . ARG B 24  ? 1.033 1.085 0.749 0.222  0.019  0.136  24  ARG LLL NH1  
3528 N NH2  . ARG B 24  ? 0.979 1.058 0.727 0.217  -0.013 0.108  24  ARG LLL NH2  
3529 H H    . ARG B 24  ? 0.626 0.736 0.496 0.125  0.021  0.109  24  ARG LLL H    
3530 H HA   . ARG B 24  ? 0.678 0.789 0.504 0.148  0.029  0.113  24  ARG LLL HA   
3531 H HB2  . ARG B 24  ? 0.757 0.837 0.591 0.141  0.053  0.140  24  ARG LLL HB2  
3532 H HB3  . ARG B 24  ? 0.783 0.863 0.585 0.158  0.054  0.141  24  ARG LLL HB3  
3533 H HG2  . ARG B 24  ? 0.832 0.915 0.646 0.160  0.026  0.126  24  ARG LLL HG2  
3534 H HG3  . ARG B 24  ? 0.874 0.938 0.654 0.176  0.042  0.143  24  ARG LLL HG3  
3535 H HD2  . ARG B 24  ? 0.937 1.020 0.688 0.197  0.022  0.124  24  ARG LLL HD2  
3536 H HD3  . ARG B 24  ? 0.890 0.994 0.680 0.176  0.010  0.107  24  ARG LLL HD3  
3537 H HE   . ARG B 24  ? 0.917 1.020 0.707 0.186  -0.008 0.098  24  ARG LLL HE   
3538 H HH11 . ARG B 24  ? 1.026 1.076 0.742 0.218  0.030  0.142  24  ARG LLL HH11 
3539 H HH12 . ARG B 24  ? 1.051 1.089 0.747 0.235  0.020  0.142  24  ARG LLL HH12 
3540 H HH21 . ARG B 24  ? 0.956 1.049 0.725 0.209  -0.023 0.096  24  ARG LLL HH21 
3541 H HH22 . ARG B 24  ? 1.002 1.070 0.732 0.230  -0.013 0.113  24  ARG LLL HH22 
3542 N N    . ALA B 25  ? 0.596 0.710 0.452 0.127  0.052  0.123  25  ALA LLL N    
3543 C CA   . ALA B 25  ? 0.574 0.692 0.450 0.116  0.064  0.126  25  ALA LLL CA   
3544 C C    . ALA B 25  ? 0.598 0.702 0.466 0.120  0.085  0.142  25  ALA LLL C    
3545 O O    . ALA B 25  ? 0.659 0.751 0.495 0.136  0.090  0.149  25  ALA LLL O    
3546 C CB   . ALA B 25  ? 0.551 0.681 0.424 0.118  0.060  0.117  25  ALA LLL CB   
3547 H H    . ALA B 25  ? 0.607 0.722 0.446 0.137  0.048  0.120  25  ALA LLL H    
3548 H HA   . ALA B 25  ? 0.554 0.675 0.451 0.105  0.062  0.123  25  ALA LLL HA   
3549 H HB1  . ALA B 25  ? 0.547 0.681 0.435 0.110  0.067  0.118  25  ALA LLL HB1  
3550 H HB2  . ALA B 25  ? 0.543 0.679 0.418 0.116  0.048  0.108  25  ALA LLL HB2  
3551 H HB3  . ALA B 25  ? 0.576 0.702 0.428 0.129  0.064  0.121  25  ALA LLL HB3  
3552 N N    . SER B 26  ? 0.590 0.696 0.486 0.107  0.098  0.145  26  SER LLL N    
3553 C CA   . SER B 26  ? 0.624 0.718 0.520 0.107  0.122  0.159  26  SER LLL CA   
3554 C C    . SER B 26  ? 0.637 0.734 0.518 0.115  0.133  0.161  26  SER LLL C    
3555 O O    . SER B 26  ? 0.662 0.745 0.531 0.120  0.154  0.174  26  SER LLL O    
3556 C CB   . SER B 26  ? 0.612 0.711 0.549 0.089  0.130  0.157  26  SER LLL CB   
3557 O OG   . SER B 26  ? 0.593 0.713 0.554 0.081  0.123  0.145  26  SER LLL OG   
3558 H H    . SER B 26  ? 0.570 0.685 0.488 0.097  0.093  0.139  26  SER LLL H    
3559 H HA   . SER B 26  ? 0.644 0.723 0.522 0.114  0.127  0.167  26  SER LLL HA   
3560 H HB2  . SER B 26  ? 0.630 0.721 0.571 0.088  0.148  0.165  26  SER LLL HB2  
3561 H HB3  . SER B 26  ? 0.604 0.700 0.549 0.085  0.124  0.156  26  SER LLL HB3  
3563 N N    . GLN B 27  ? 0.610 0.723 0.489 0.117  0.120  0.150  27  GLN LLL N    
3564 C CA   . GLN B 27  ? 0.639 0.754 0.498 0.128  0.127  0.151  27  GLN LLL CA   
3565 C C    . GLN B 27  ? 0.620 0.747 0.467 0.134  0.106  0.137  27  GLN LLL C    
3566 O O    . GLN B 27  ? 0.601 0.735 0.461 0.126  0.089  0.127  27  GLN LLL O    
3567 C CB   . GLN B 27  ? 0.667 0.794 0.556 0.117  0.141  0.149  27  GLN LLL CB   
3568 C CG   . GLN B 27  ? 0.639 0.785 0.561 0.104  0.126  0.135  27  GLN LLL CG   
3569 C CD   . GLN B 27  ? 0.649 0.806 0.605 0.094  0.140  0.133  27  GLN LLL CD   
3570 O OE1  . GLN B 27  ? 0.658 0.814 0.641 0.083  0.148  0.134  27  GLN LLL OE1  
3571 N NE2  . GLN B 27  ? 0.634 0.803 0.590 0.098  0.141  0.127  27  GLN LLL NE2  
3572 H H    . GLN B 27  ? 0.594 0.716 0.483 0.113  0.106  0.141  27  GLN LLL H    
3573 H HA   . GLN B 27  ? 0.670 0.773 0.506 0.138  0.136  0.160  27  GLN LLL HA   
3574 H HB2  . GLN B 27  ? 0.673 0.801 0.548 0.125  0.146  0.150  27  GLN LLL HB2  
3575 H HB3  . GLN B 27  ? 0.669 0.789 0.570 0.112  0.155  0.157  27  GLN LLL HB3  
3576 H HG2  . GLN B 27  ? 0.629 0.773 0.559 0.099  0.118  0.133  27  GLN LLL HG2  
3577 H HG3  . GLN B 27  ? 0.635 0.786 0.546 0.109  0.115  0.128  27  GLN LLL HG3  
3580 N N    . THR B 28  ? 0.622 0.750 0.446 0.146  0.108  0.137  28  THR LLL N    
3581 C CA   . THR B 28  ? 0.620 0.759 0.432 0.153  0.091  0.123  28  THR LLL CA   
3582 C C    . THR B 28  ? 0.585 0.737 0.428 0.137  0.080  0.111  28  THR LLL C    
3583 O O    . THR B 28  ? 0.561 0.720 0.428 0.128  0.088  0.111  28  THR LLL O    
3584 C CB   . THR B 28  ? 0.661 0.801 0.452 0.165  0.099  0.125  28  THR LLL CB   
3585 O OG1  . THR B 28  ? 0.714 0.838 0.473 0.180  0.112  0.138  28  THR LLL OG1  
3586 C CG2  . THR B 28  ? 0.655 0.805 0.434 0.172  0.081  0.110  28  THR LLL CG2  
3587 H H    . THR B 28  ? 0.647 0.770 0.461 0.152  0.122  0.145  28  THR LLL H    
3588 H HA   . THR B 28  ? 0.628 0.763 0.426 0.159  0.081  0.121  28  THR LLL HA   
3589 H HB   . THR B 28  ? 0.653 0.798 0.461 0.158  0.108  0.126  28  THR LLL HB   
3591 H HG21 . THR B 28  ? 0.636 0.793 0.433 0.163  0.078  0.103  28  THR LLL HG21 
3592 H HG22 . THR B 28  ? 0.676 0.823 0.434 0.184  0.085  0.112  28  THR LLL HG22 
3593 H HG23 . THR B 28  ? 0.653 0.801 0.426 0.174  0.069  0.104  28  THR LLL HG23 
3594 N N    . VAL B 29  ? 0.554 0.709 0.396 0.136  0.062  0.100  29  VAL LLL N    
3595 C CA   . VAL B 29  ? 0.525 0.688 0.387 0.126  0.051  0.087  29  VAL LLL CA   
3596 C C    . VAL B 29  ? 0.522 0.690 0.369 0.134  0.046  0.078  29  VAL LLL C    
3597 O O    . VAL B 29  ? 0.518 0.687 0.352 0.141  0.035  0.069  29  VAL LLL O    
3598 C CB   . VAL B 29  ? 0.502 0.663 0.370 0.120  0.037  0.080  29  VAL LLL CB   
3599 C CG1  . VAL B 29  ? 0.477 0.642 0.358 0.112  0.028  0.067  29  VAL LLL CG1  
3600 C CG2  . VAL B 29  ? 0.494 0.650 0.376 0.113  0.041  0.088  29  VAL LLL CG2  
3601 H H    . VAL B 29  ? 0.565 0.716 0.395 0.142  0.056  0.099  29  VAL LLL H    
3602 H HA   . VAL B 29  ? 0.512 0.678 0.391 0.118  0.056  0.089  29  VAL LLL HA   
3603 H HB   . VAL B 29  ? 0.513 0.673 0.366 0.129  0.032  0.077  29  VAL LLL HB   
3604 H HG11 . VAL B 29  ? 0.483 0.650 0.355 0.117  0.023  0.060  29  VAL LLL HG11 
3605 H HG12 . VAL B 29  ? 0.468 0.631 0.359 0.105  0.024  0.065  29  VAL LLL HG12 
3606 H HG13 . VAL B 29  ? 0.473 0.641 0.363 0.108  0.033  0.069  29  VAL LLL HG13 
3607 H HG21 . VAL B 29  ? 0.486 0.644 0.384 0.106  0.047  0.090  29  VAL LLL HG21 
3608 H HG22 . VAL B 29  ? 0.485 0.640 0.372 0.109  0.033  0.083  29  VAL LLL HG22 
3609 H HG23 . VAL B 29  ? 0.511 0.662 0.381 0.119  0.047  0.096  29  VAL LLL HG23 
3610 N N    . ARG B 30  ? 0.542 0.716 0.396 0.133  0.055  0.080  30  ARG LLL N    
3611 C CA   . ARG B 30  ? 0.574 0.752 0.414 0.141  0.052  0.072  30  ARG LLL CA   
3612 C C    . ARG B 30  ? 0.561 0.739 0.404 0.138  0.037  0.058  30  ARG LLL C    
3613 O O    . ARG B 30  ? 0.559 0.735 0.420 0.127  0.033  0.055  30  ARG LLL O    
3614 C CB   . ARG B 30  ? 0.616 0.801 0.468 0.140  0.064  0.075  30  ARG LLL CB   
3615 C CG   . ARG B 30  ? 0.628 0.811 0.469 0.148  0.082  0.088  30  ARG LLL CG   
3616 C CD   . ARG B 30  ? 0.630 0.822 0.481 0.148  0.094  0.089  30  ARG LLL CD   
3617 N NE   . ARG B 30  ? 0.620 0.808 0.454 0.158  0.112  0.100  30  ARG LLL NE   
3618 C CZ   . ARG B 30  ? 0.640 0.835 0.483 0.159  0.126  0.101  30  ARG LLL CZ   
3619 N NH1  . ARG B 30  ? 0.589 0.798 0.458 0.152  0.122  0.092  30  ARG LLL NH1  
3620 N NH2  . ARG B 30  ? 0.664 0.853 0.488 0.169  0.145  0.112  30  ARG LLL NH2  
3621 H H    . ARG B 30  ? 0.538 0.714 0.406 0.128  0.063  0.085  30  ARG LLL H    
3622 H HA   . ARG B 30  ? 0.594 0.770 0.416 0.152  0.054  0.074  30  ARG LLL HA   
3623 H HB2  . ARG B 30  ? 0.588 0.776 0.460 0.131  0.065  0.075  30  ARG LLL HB2  
3624 H HB3  . ARG B 30  ? 0.602 0.791 0.450 0.143  0.060  0.069  30  ARG LLL HB3  
3625 H HG2  . ARG B 30  ? 0.647 0.825 0.465 0.158  0.080  0.089  30  ARG LLL HG2  
3626 H HG3  . ARG B 30  ? 0.630 0.810 0.479 0.143  0.087  0.095  30  ARG LLL HG3  
3627 H HD2  . ARG B 30  ? 0.607 0.804 0.482 0.139  0.097  0.089  30  ARG LLL HD2  
3628 H HD3  . ARG B 30  ? 0.617 0.813 0.464 0.151  0.087  0.081  30  ARG LLL HD3  
3629 H HE   . ARG B 30  ? 0.646 0.825 0.462 0.164  0.114  0.105  30  ARG LLL HE   
3630 H HH11 . ARG B 30  ? 0.583 0.794 0.461 0.147  0.111  0.085  30  ARG LLL HH11 
3631 H HH12 . ARG B 30  ? 0.604 0.819 0.480 0.153  0.131  0.092  30  ARG LLL HH12 
3632 H HH21 . ARG B 30  ? 0.682 0.860 0.486 0.175  0.147  0.118  30  ARG LLL HH21 
3633 H HH22 . ARG B 30  ? 0.670 0.864 0.502 0.169  0.156  0.112  30  ARG LLL HH22 
3634 N N    . GLY B 31  ? 0.544 0.723 0.369 0.147  0.031  0.049  31  GLY LLL N    
3635 C CA   . GLY B 31  ? 0.536 0.714 0.364 0.144  0.019  0.033  31  GLY LLL CA   
3636 C C    . GLY B 31  ? 0.533 0.707 0.366 0.139  0.010  0.027  31  GLY LLL C    
3637 O O    . GLY B 31  ? 0.530 0.702 0.370 0.134  0.002  0.015  31  GLY LLL O    
3638 H H    . GLY B 31  ? 0.566 0.746 0.376 0.157  0.034  0.051  31  GLY LLL H    
3639 H HA2  . GLY B 31  ? 0.549 0.728 0.363 0.153  0.016  0.028  31  GLY LLL HA2  
3640 H HA3  . GLY B 31  ? 0.527 0.702 0.364 0.138  0.019  0.031  31  GLY LLL HA3  
3641 N N    . ASN B 32  ? 0.538 0.712 0.371 0.140  0.011  0.036  32  ASN LLL N    
3642 C CA   . ASN B 32  ? 0.542 0.714 0.384 0.135  0.003  0.030  32  ASN LLL CA   
3643 C C    . ASN B 32  ? 0.500 0.668 0.363 0.119  0.001  0.025  32  ASN LLL C    
3644 O O    . ASN B 32  ? 0.489 0.656 0.359 0.115  -0.006 0.013  32  ASN LLL O    
3645 C CB   . ASN B 32  ? 0.596 0.772 0.429 0.143  -0.009 0.015  32  ASN LLL CB   
3646 C CG   . ASN B 32  ? 0.647 0.826 0.456 0.161  -0.011 0.019  32  ASN LLL CG   
3647 O OD1  . ASN B 32  ? 0.683 0.857 0.483 0.165  -0.001 0.036  32  ASN LLL OD1  
3648 N ND2  . ASN B 32  ? 0.747 0.932 0.548 0.171  -0.022 0.004  32  ASN LLL ND2  
3649 H H    . ASN B 32  ? 0.548 0.722 0.375 0.144  0.018  0.046  32  ASN LLL H    
3650 H HA   . ASN B 32  ? 0.546 0.717 0.387 0.136  0.005  0.039  32  ASN LLL HA   
3651 H HB2  . ASN B 32  ? 0.592 0.770 0.424 0.144  -0.011 0.007  32  ASN LLL HB2  
3652 H HB3  . ASN B 32  ? 0.582 0.759 0.426 0.137  -0.014 0.009  32  ASN LLL HB3  
3655 N N    . TYR B 33  ? 0.482 0.648 0.354 0.113  0.008  0.033  33  TYR LLL N    
3656 C CA   . TYR B 33  ? 0.481 0.639 0.368 0.101  0.008  0.029  33  TYR LLL CA   
3657 C C    . TYR B 33  ? 0.452 0.609 0.350 0.094  0.007  0.035  33  TYR LLL C    
3658 O O    . TYR B 33  ? 0.456 0.613 0.365 0.090  0.012  0.044  33  TYR LLL O    
3659 C CB   . TYR B 33  ? 0.479 0.637 0.369 0.100  0.013  0.033  33  TYR LLL CB   
3660 C CG   . TYR B 33  ? 0.503 0.660 0.383 0.106  0.012  0.026  33  TYR LLL CG   
3661 C CD1  . TYR B 33  ? 0.511 0.658 0.389 0.103  0.008  0.014  33  TYR LLL CD1  
3662 C CD2  . TYR B 33  ? 0.532 0.697 0.405 0.114  0.017  0.029  33  TYR LLL CD2  
3663 C CE1  . TYR B 33  ? 0.535 0.679 0.403 0.108  0.008  0.007  33  TYR LLL CE1  
3664 C CE2  . TYR B 33  ? 0.533 0.696 0.396 0.120  0.016  0.022  33  TYR LLL CE2  
3665 C CZ   . TYR B 33  ? 0.553 0.706 0.414 0.117  0.011  0.011  33  TYR LLL CZ   
3666 O OH   . TYR B 33  ? 0.592 0.741 0.443 0.122  0.011  0.003  33  TYR LLL OH   
3667 H H    . TYR B 33  ? 0.491 0.659 0.361 0.116  0.014  0.040  33  TYR LLL H    
3668 H HA   . TYR B 33  ? 0.475 0.629 0.361 0.099  0.004  0.020  33  TYR LLL HA   
3669 H HB2  . TYR B 33  ? 0.484 0.647 0.376 0.102  0.018  0.041  33  TYR LLL HB2  
3670 H HB3  . TYR B 33  ? 0.474 0.627 0.373 0.094  0.012  0.032  33  TYR LLL HB3  
3671 H HD1  . TYR B 33  ? 0.509 0.650 0.392 0.097  0.006  0.011  33  TYR LLL HD1  
3672 H HD2  . TYR B 33  ? 0.527 0.697 0.402 0.116  0.022  0.037  33  TYR LLL HD2  
3673 H HE1  . TYR B 33  ? 0.537 0.671 0.404 0.105  0.007  -0.001 33  TYR LLL HE1  
3674 H HE2  . TYR B 33  ? 0.545 0.714 0.403 0.126  0.020  0.025  33  TYR LLL HE2  
3676 N N    . LEU B 34  ? 0.448 0.605 0.346 0.094  0.001  0.029  34  LEU LLL N    
3677 C CA   . LEU B 34  ? 0.451 0.607 0.359 0.090  -0.001 0.032  34  LEU LLL CA   
3678 C C    . LEU B 34  ? 0.452 0.603 0.369 0.082  -0.006 0.020  34  LEU LLL C    
3679 O O    . LEU B 34  ? 0.473 0.627 0.388 0.085  -0.010 0.007  34  LEU LLL O    
3680 C CB   . LEU B 34  ? 0.462 0.623 0.358 0.100  -0.003 0.035  34  LEU LLL CB   
3681 C CG   . LEU B 34  ? 0.469 0.628 0.370 0.099  -0.004 0.043  34  LEU LLL CG   
3682 C CD1  . LEU B 34  ? 0.472 0.630 0.385 0.092  -0.011 0.032  34  LEU LLL CD1  
3683 C CD2  . LEU B 34  ? 0.470 0.624 0.380 0.092  0.006  0.056  34  LEU LLL CD2  
3684 H H    . LEU B 34  ? 0.457 0.615 0.351 0.097  -0.003 0.021  34  LEU LLL H    
3685 H HA   . LEU B 34  ? 0.444 0.598 0.358 0.086  0.003  0.040  34  LEU LLL HA   
3686 H HB2  . LEU B 34  ? 0.473 0.636 0.360 0.107  0.001  0.042  34  LEU LLL HB2  
3687 H HB3  . LEU B 34  ? 0.469 0.633 0.362 0.104  -0.009 0.026  34  LEU LLL HB3  
3688 H HG   . LEU B 34  ? 0.485 0.645 0.373 0.109  -0.004 0.046  34  LEU LLL HG   
3689 H HD11 . LEU B 34  ? 0.470 0.633 0.383 0.095  -0.016 0.022  34  LEU LLL HD11 
3690 H HD12 . LEU B 34  ? 0.471 0.629 0.384 0.095  -0.012 0.036  34  LEU LLL HD12 
3691 H HD13 . LEU B 34  ? 0.457 0.611 0.381 0.084  -0.008 0.032  34  LEU LLL HD13 
3692 H HD21 . LEU B 34  ? 0.455 0.608 0.377 0.084  0.005  0.053  34  LEU LLL HD21 
3693 H HD22 . LEU B 34  ? 0.471 0.624 0.381 0.094  0.007  0.062  34  LEU LLL HD22 
3694 H HD23 . LEU B 34  ? 0.472 0.628 0.378 0.095  0.011  0.061  34  LEU LLL HD23 
3695 N N    . ALA B 35  ? 0.423 0.567 0.351 0.073  -0.004 0.022  35  ALA LLL N    
3696 C CA   . ALA B 35  ? 0.437 0.574 0.375 0.064  -0.005 0.012  35  ALA LLL CA   
3697 C C    . ALA B 35  ? 0.428 0.567 0.376 0.061  -0.007 0.013  35  ALA LLL C    
3698 O O    . ALA B 35  ? 0.439 0.581 0.387 0.063  -0.007 0.024  35  ALA LLL O    
3699 C CB   . ALA B 35  ? 0.446 0.569 0.383 0.059  0.000  0.013  35  ALA LLL CB   
3700 H H    . ALA B 35  ? 0.428 0.571 0.359 0.071  -0.001 0.030  35  ALA LLL H    
3701 H HA   . ALA B 35  ? 0.440 0.579 0.376 0.066  -0.007 0.003  35  ALA LLL HA   
3702 H HB1  . ALA B 35  ? 0.442 0.558 0.383 0.053  0.001  0.007  35  ALA LLL HB1  
3703 H HB2  . ALA B 35  ? 0.448 0.569 0.378 0.062  0.001  0.011  35  ALA LLL HB2  
3704 H HB3  . ALA B 35  ? 0.438 0.561 0.377 0.058  0.001  0.020  35  ALA LLL HB3  
3705 N N    . TRP B 36  ? 0.436 0.573 0.392 0.056  -0.009 0.001  36  TRP LLL N    
3706 C CA   . TRP B 36  ? 0.420 0.558 0.388 0.051  -0.011 0.000  36  TRP LLL CA   
3707 C C    . TRP B 36  ? 0.412 0.536 0.388 0.041  -0.005 -0.004 36  TRP LLL C    
3708 O O    . TRP B 36  ? 0.384 0.501 0.360 0.037  -0.000 -0.014 36  TRP LLL O    
3709 C CB   . TRP B 36  ? 0.421 0.572 0.395 0.057  -0.019 -0.012 36  TRP LLL CB   
3710 C CG   . TRP B 36  ? 0.437 0.597 0.399 0.070  -0.025 -0.006 36  TRP LLL CG   
3711 C CD1  . TRP B 36  ? 0.436 0.603 0.385 0.080  -0.028 -0.010 36  TRP LLL CD1  
3712 C CD2  . TRP B 36  ? 0.432 0.595 0.390 0.076  -0.027 0.005  36  TRP LLL CD2  
3713 N NE1  . TRP B 36  ? 0.436 0.608 0.372 0.093  -0.032 -0.002 36  TRP LLL NE1  
3714 C CE2  . TRP B 36  ? 0.449 0.617 0.389 0.091  -0.031 0.008  36  TRP LLL CE2  
3715 C CE3  . TRP B 36  ? 0.430 0.588 0.395 0.072  -0.026 0.012  36  TRP LLL CE3  
3716 C CZ2  . TRP B 36  ? 0.468 0.636 0.396 0.101  -0.032 0.019  36  TRP LLL CZ2  
3717 C CZ3  . TRP B 36  ? 0.449 0.608 0.404 0.081  -0.028 0.022  36  TRP LLL CZ3  
3718 C CH2  . TRP B 36  ? 0.466 0.628 0.402 0.096  -0.031 0.025  36  TRP LLL CH2  
3719 H H    . TRP B 36  ? 0.435 0.571 0.393 0.055  -0.009 -0.007 36  TRP LLL H    
3720 H HA   . TRP B 36  ? 0.418 0.556 0.384 0.053  -0.011 0.010  36  TRP LLL HA   
3721 H HB2  . TRP B 36  ? 0.427 0.578 0.404 0.055  -0.019 -0.022 36  TRP LLL HB2  
3722 H HB3  . TRP B 36  ? 0.419 0.570 0.403 0.053  -0.019 -0.014 36  TRP LLL HB3  
3723 H HD1  . TRP B 36  ? 0.439 0.606 0.388 0.078  -0.027 -0.016 36  TRP LLL HD1  
3724 H HE1  . TRP B 36  ? 0.455 0.630 0.379 0.101  -0.034 -0.002 36  TRP LLL HE1  
3725 H HE3  . TRP B 36  ? 0.422 0.576 0.397 0.064  -0.024 0.010  36  TRP LLL HE3  
3726 H HZ2  . TRP B 36  ? 0.481 0.649 0.394 0.112  -0.034 0.021  36  TRP LLL HZ2  
3727 H HZ3  . TRP B 36  ? 0.441 0.597 0.402 0.079  -0.028 0.026  36  TRP LLL HZ3  
3728 H HH2  . TRP B 36  ? 0.473 0.633 0.401 0.103  -0.031 0.033  36  TRP LLL HH2  
3729 N N    . PHE B 37  ? 0.390 0.509 0.370 0.037  -0.004 0.002  37  PHE LLL N    
3730 C CA   . PHE B 37  ? 0.410 0.515 0.394 0.029  0.002  -0.000 37  PHE LLL CA   
3731 C C    . PHE B 37  ? 0.400 0.510 0.398 0.026  0.000  -0.004 37  PHE LLL C    
3732 O O    . PHE B 37  ? 0.393 0.513 0.393 0.030  -0.006 0.001  37  PHE LLL O    
3733 C CB   . PHE B 37  ? 0.413 0.508 0.389 0.029  0.004  0.011  37  PHE LLL CB   
3734 C CG   . PHE B 37  ? 0.408 0.498 0.372 0.033  0.006  0.013  37  PHE LLL CG   
3735 C CD1  . PHE B 37  ? 0.431 0.503 0.385 0.032  0.013  0.009  37  PHE LLL CD1  
3736 C CD2  . PHE B 37  ? 0.409 0.510 0.370 0.039  0.003  0.020  37  PHE LLL CD2  
3737 C CE1  . PHE B 37  ? 0.445 0.510 0.386 0.037  0.014  0.011  37  PHE LLL CE1  
3738 C CE2  . PHE B 37  ? 0.431 0.528 0.382 0.043  0.005  0.021  37  PHE LLL CE2  
3739 C CZ   . PHE B 37  ? 0.440 0.520 0.381 0.043  0.009  0.016  37  PHE LLL CZ   
3740 H H    . PHE B 37  ? 0.395 0.519 0.376 0.040  -0.006 0.009  37  PHE LLL H    
3741 H HA   . PHE B 37  ? 0.412 0.510 0.395 0.026  0.007  -0.008 37  PHE LLL HA   
3742 H HB2  . PHE B 37  ? 0.404 0.507 0.383 0.032  0.001  0.017  37  PHE LLL HB2  
3743 H HB3  . PHE B 37  ? 0.411 0.496 0.388 0.026  0.008  0.009  37  PHE LLL HB3  
3744 H HD1  . PHE B 37  ? 0.434 0.496 0.389 0.027  0.017  0.004  37  PHE LLL HD1  
3745 H HD2  . PHE B 37  ? 0.409 0.519 0.374 0.041  0.000  0.024  37  PHE LLL HD2  
3746 H HE1  . PHE B 37  ? 0.453 0.503 0.385 0.037  0.018  0.008  37  PHE LLL HE1  
3747 H HE2  . PHE B 37  ? 0.426 0.531 0.376 0.047  0.004  0.025  37  PHE LLL HE2  
3748 H HZ   . PHE B 37  ? 0.445 0.521 0.378 0.046  0.010  0.017  37  PHE LLL HZ   
3749 N N    . GLN B 38  ? 0.394 0.494 0.399 0.018  0.007  -0.013 38  GLN LLL N    
3750 C CA   . GLN B 38  ? 0.396 0.497 0.413 0.014  0.008  -0.017 38  GLN LLL CA   
3751 C C    . GLN B 38  ? 0.391 0.473 0.401 0.010  0.014  -0.010 38  GLN LLL C    
3752 O O    . GLN B 38  ? 0.446 0.511 0.444 0.008  0.022  -0.010 38  GLN LLL O    
3753 C CB   . GLN B 38  ? 0.397 0.499 0.430 0.008  0.013  -0.034 38  GLN LLL CB   
3754 C CG   . GLN B 38  ? 0.400 0.507 0.450 0.003  0.014  -0.041 38  GLN LLL CG   
3755 C CD   . GLN B 38  ? 0.441 0.548 0.509 -0.005 0.023  -0.059 38  GLN LLL CD   
3756 O OE1  . GLN B 38  ? 0.477 0.563 0.539 -0.012 0.037  -0.061 38  GLN LLL OE1  
3757 N NE2  . GLN B 38  ? 0.444 0.572 0.533 -0.003 0.016  -0.074 38  GLN LLL NE2  
3758 H H    . GLN B 38  ? 0.404 0.494 0.405 0.015  0.013  -0.017 38  GLN LLL H    
3759 H HA   . GLN B 38  ? 0.387 0.499 0.409 0.018  0.001  -0.014 38  GLN LLL HA   
3760 H HB2  . GLN B 38  ? 0.400 0.514 0.437 0.011  0.008  -0.040 38  GLN LLL HB2  
3761 H HB3  . GLN B 38  ? 0.407 0.495 0.435 0.003  0.022  -0.036 38  GLN LLL HB3  
3762 H HG2  . GLN B 38  ? 0.406 0.503 0.450 0.002  0.017  -0.034 38  GLN LLL HG2  
3763 H HG3  . GLN B 38  ? 0.401 0.522 0.456 0.008  0.005  -0.041 38  GLN LLL HG3  
3766 N N    . GLN B 39  ? 0.411 0.496 0.427 0.010  0.011  -0.005 39  GLN LLL N    
3767 C CA   . GLN B 39  ? 0.432 0.499 0.440 0.008  0.016  -0.001 39  GLN LLL CA   
3768 C C    . GLN B 39  ? 0.446 0.515 0.467 0.004  0.018  -0.006 39  GLN LLL C    
3769 O O    . GLN B 39  ? 0.413 0.497 0.446 0.006  0.010  -0.005 39  GLN LLL O    
3770 C CB   . GLN B 39  ? 0.433 0.499 0.432 0.013  0.011  0.011  39  GLN LLL CB   
3771 C CG   . GLN B 39  ? 0.428 0.474 0.415 0.013  0.015  0.013  39  GLN LLL CG   
3772 C CD   . GLN B 39  ? 0.421 0.470 0.404 0.019  0.008  0.021  39  GLN LLL CD   
3773 O OE1  . GLN B 39  ? 0.409 0.472 0.404 0.019  0.002  0.026  39  GLN LLL OE1  
3774 N NE2  . GLN B 39  ? 0.400 0.435 0.368 0.023  0.009  0.022  39  GLN LLL NE2  
3775 H H    . GLN B 39  ? 0.403 0.499 0.425 0.012  0.005  -0.004 39  GLN LLL H    
3776 H HA   . GLN B 39  ? 0.442 0.496 0.443 0.006  0.024  -0.004 39  GLN LLL HA   
3777 H HB2  . GLN B 39  ? 0.428 0.498 0.423 0.015  0.009  0.013  39  GLN LLL HB2  
3778 H HB3  . GLN B 39  ? 0.421 0.496 0.429 0.014  0.006  0.014  39  GLN LLL HB3  
3779 H HG2  . GLN B 39  ? 0.431 0.474 0.422 0.011  0.017  0.011  39  GLN LLL HG2  
3780 H HG3  . GLN B 39  ? 0.440 0.475 0.417 0.013  0.021  0.010  39  GLN LLL HG3  
3783 N N    . LYS B 40  ? 0.471 0.523 0.489 -0.001 0.028  -0.010 40  LYS LLL N    
3784 C CA   . LYS B 40  ? 0.544 0.594 0.574 -0.006 0.033  -0.016 40  LYS LLL CA   
3785 C C    . LYS B 40  ? 0.613 0.642 0.627 -0.004 0.039  -0.010 40  LYS LLL C    
3786 O O    . LYS B 40  ? 0.642 0.652 0.635 -0.002 0.045  -0.007 40  LYS LLL O    
3787 C CB   . LYS B 40  ? 0.576 0.622 0.617 -0.013 0.046  -0.030 40  LYS LLL CB   
3788 C CG   . LYS B 40  ? 0.645 0.716 0.710 -0.014 0.040  -0.042 40  LYS LLL CG   
3789 C CD   . LYS B 40  ? 0.672 0.742 0.756 -0.023 0.053  -0.060 40  LYS LLL CD   
3790 C CE   . LYS B 40  ? 0.708 0.775 0.793 -0.026 0.058  -0.067 40  LYS LLL CE   
3791 N NZ   . LYS B 40  ? 0.712 0.780 0.822 -0.036 0.072  -0.086 40  LYS LLL NZ   
3792 H H    . LYS B 40  ? 0.493 0.531 0.499 -0.001 0.034  -0.009 40  LYS LLL H    
3793 H HA   . LYS B 40  ? 0.534 0.599 0.575 -0.004 0.026  -0.016 40  LYS LLL HA   
3794 H HB2  . LYS B 40  ? 0.597 0.631 0.627 -0.014 0.052  -0.030 40  LYS LLL HB2  
3795 H HB3  . LYS B 40  ? 0.594 0.631 0.636 -0.016 0.053  -0.033 40  LYS LLL HB3  
3796 H HG2  . LYS B 40  ? 0.621 0.703 0.693 -0.012 0.032  -0.041 40  LYS LLL HG2  
3797 H HG3  . LYS B 40  ? 0.628 0.704 0.689 -0.011 0.035  -0.041 40  LYS LLL HG3  
3798 H HD2  . LYS B 40  ? 0.684 0.738 0.764 -0.027 0.064  -0.059 40  LYS LLL HD2  
3799 H HD3  . LYS B 40  ? 0.667 0.754 0.769 -0.023 0.047  -0.068 40  LYS LLL HD3  
3800 H HE2  . LYS B 40  ? 0.693 0.775 0.780 -0.021 0.048  -0.068 40  LYS LLL HE2  
3801 H HE3  . LYS B 40  ? 0.709 0.758 0.775 -0.026 0.064  -0.059 40  LYS LLL HE3  
3802 H HZ1  . LYS B 40  ? 0.725 0.774 0.828 -0.041 0.085  -0.085 40  LYS LLL HZ1  
3803 H HZ2  . LYS B 40  ? 0.716 0.787 0.830 -0.037 0.072  -0.093 40  LYS LLL HZ2  
3804 H HZ3  . LYS B 40  ? 0.706 0.789 0.833 -0.036 0.067  -0.094 40  LYS LLL HZ3  
3805 N N    . ARG B 41  ? 0.683 0.714 0.704 -0.005 0.038  -0.010 41  ARG LLL N    
3806 C CA   . ARG B 41  ? 0.766 0.774 0.771 -0.003 0.045  -0.008 41  ARG LLL CA   
3807 C C    . ARG B 41  ? 0.697 0.695 0.681 0.005  0.039  0.001  41  ARG LLL C    
3808 O O    . ARG B 41  ? 0.826 0.839 0.817 0.008  0.026  0.007  41  ARG LLL O    
3809 C CB   . ARG B 41  ? 0.834 0.822 0.833 -0.009 0.064  -0.015 41  ARG LLL CB   
3810 C CG   . ARG B 41  ? 0.879 0.874 0.901 -0.016 0.072  -0.026 41  ARG LLL CG   
3811 C CD   . ARG B 41  ? 0.913 0.898 0.942 -0.024 0.090  -0.037 41  ARG LLL CD   
3812 N NE   . ARG B 41  ? 0.892 0.904 0.956 -0.031 0.088  -0.050 41  ARG LLL NE   
3813 C CZ   . ARG B 41  ? 0.929 0.953 1.013 -0.037 0.092  -0.063 41  ARG LLL CZ   
3814 N NH1  . ARG B 41  ? 0.945 0.955 1.019 -0.039 0.100  -0.064 41  ARG LLL NH1  
3815 N NH2  . ARG B 41  ? 0.927 0.976 1.042 -0.040 0.086  -0.077 41  ARG LLL NH2  
3816 H H    . ARG B 41  ? 0.670 0.714 0.703 -0.005 0.032  -0.012 41  ARG LLL H    
3817 H HA   . ARG B 41  ? 0.741 0.755 0.755 -0.004 0.042  -0.009 41  ARG LLL HA   
3818 H HB2  . ARG B 41  ? 0.834 0.822 0.832 -0.010 0.067  -0.017 41  ARG LLL HB2  
3819 H HB3  . ARG B 41  ? 0.846 0.814 0.826 -0.005 0.070  -0.012 41  ARG LLL HB3  
3820 H HG2  . ARG B 41  ? 0.878 0.864 0.894 -0.015 0.075  -0.025 41  ARG LLL HG2  
3821 H HG3  . ARG B 41  ? 0.856 0.872 0.895 -0.017 0.062  -0.029 41  ARG LLL HG3  
3822 H HD2  . ARG B 41  ? 0.909 0.892 0.932 -0.024 0.090  -0.036 41  ARG LLL HD2  
3823 H HD3  . ARG B 41  ? 0.924 0.889 0.941 -0.026 0.103  -0.037 41  ARG LLL HD3  
3824 H HE   . ARG B 41  ? 0.897 0.918 0.968 -0.030 0.082  -0.051 41  ARG LLL HE   
3825 H HH11 . ARG B 41  ? 0.952 0.945 1.004 -0.036 0.103  -0.055 41  ARG LLL HH11 
3826 H HH12 . ARG B 41  ? 0.942 0.960 1.031 -0.043 0.102  -0.074 41  ARG LLL HH12 
3827 H HH21 . ARG B 41  ? 0.915 0.973 1.037 -0.038 0.081  -0.076 41  ARG LLL HH21 
3828 H HH22 . ARG B 41  ? 0.921 0.980 1.052 -0.043 0.088  -0.087 41  ARG LLL HH22 
3829 N N    . GLY B 42  ? 0.640 0.613 0.600 0.008  0.048  0.002  42  GLY LLL N    
3830 C CA   . GLY B 42  ? 0.657 0.622 0.598 0.018  0.040  0.009  42  GLY LLL CA   
3831 C C    . GLY B 42  ? 0.640 0.592 0.564 0.021  0.045  0.010  42  GLY LLL C    
3832 O O    . GLY B 42  ? 0.707 0.640 0.605 0.031  0.045  0.012  42  GLY LLL O    
3833 H H    . GLY B 42  ? 0.675 0.634 0.629 0.006  0.059  -0.001 42  GLY LLL H    
3834 H HA2  . GLY B 42  ? 0.634 0.614 0.585 0.019  0.029  0.011  42  GLY LLL HA2  
3835 H HA3  . GLY B 42  ? 0.660 0.611 0.588 0.023  0.042  0.009  42  GLY LLL HA3  
3836 N N    . GLN B 43  ? 0.551 0.514 0.487 0.014  0.049  0.006  43  GLN LLL N    
3837 C CA   . GLN B 43  ? 0.511 0.461 0.433 0.016  0.056  0.005  43  GLN LLL CA   
3838 C C    . GLN B 43  ? 0.458 0.425 0.383 0.020  0.043  0.010  43  GLN LLL C    
3839 O O    . GLN B 43  ? 0.429 0.419 0.371 0.019  0.032  0.012  43  GLN LLL O    
3840 C CB   . GLN B 43  ? 0.525 0.477 0.463 0.005  0.068  -0.003 43  GLN LLL CB   
3841 C CG   . GLN B 43  ? 0.573 0.508 0.512 -0.001 0.084  -0.009 43  GLN LLL CG   
3842 C CD   . GLN B 43  ? 0.603 0.548 0.568 -0.012 0.093  -0.021 43  GLN LLL CD   
3843 O OE1  . GLN B 43  ? 0.638 0.602 0.617 -0.014 0.086  -0.026 43  GLN LLL OE1  
3844 N NE2  . GLN B 43  ? 0.653 0.587 0.625 -0.019 0.108  -0.028 43  GLN LLL NE2  
3845 H H    . GLN B 43  ? 0.541 0.520 0.496 0.010  0.046  0.004  43  GLN LLL H    
3846 H HA   . GLN B 43  ? 0.535 0.463 0.437 0.021  0.062  0.007  43  GLN LLL HA   
3847 H HB2  . GLN B 43  ? 0.512 0.486 0.469 0.002  0.060  -0.006 43  GLN LLL HB2  
3848 H HB3  . GLN B 43  ? 0.538 0.482 0.468 0.006  0.072  -0.004 43  GLN LLL HB3  
3849 H HG2  . GLN B 43  ? 0.594 0.505 0.512 0.003  0.093  -0.007 43  GLN LLL HG2  
3850 H HG3  . GLN B 43  ? 0.565 0.507 0.510 -0.000 0.079  -0.008 43  GLN LLL HG3  
3853 N N    . PRO B 44  ? 0.482 0.435 0.387 0.026  0.046  0.011  44  PRO LLL N    
3854 C CA   . PRO B 44  ? 0.479 0.448 0.388 0.029  0.037  0.013  44  PRO LLL CA   
3855 C C    . PRO B 44  ? 0.478 0.471 0.410 0.022  0.035  0.010  44  PRO LLL C    
3856 O O    . PRO B 44  ? 0.461 0.452 0.403 0.014  0.043  0.003  44  PRO LLL O    
3857 C CB   . PRO B 44  ? 0.507 0.454 0.392 0.036  0.044  0.013  44  PRO LLL CB   
3858 C CG   . PRO B 44  ? 0.542 0.456 0.404 0.038  0.057  0.012  44  PRO LLL CG   
3859 C CD   . PRO B 44  ? 0.519 0.438 0.397 0.030  0.060  0.010  44  PRO LLL CD   
3860 H HA   . PRO B 44  ? 0.474 0.453 0.386 0.034  0.028  0.017  44  PRO LLL HA   
3861 H HB2  . PRO B 44  ? 0.507 0.456 0.396 0.032  0.048  0.010  44  PRO LLL HB2  
3862 H HB3  . PRO B 44  ? 0.508 0.457 0.386 0.043  0.037  0.016  44  PRO LLL HB3  
3863 H HG2  . PRO B 44  ? 0.551 0.450 0.405 0.036  0.068  0.009  44  PRO LLL HG2  
3864 H HG3  . PRO B 44  ? 0.549 0.451 0.393 0.047  0.054  0.015  44  PRO LLL HG3  
3865 H HD2  . PRO B 44  ? 0.527 0.439 0.409 0.023  0.071  0.006  44  PRO LLL HD2  
3866 H HD3  . PRO B 44  ? 0.533 0.439 0.397 0.035  0.061  0.012  44  PRO LLL HD3  
3867 N N    . PRO B 45  ? 0.481 0.493 0.421 0.024  0.026  0.013  45  PRO LLL N    
3868 C CA   . PRO B 45  ? 0.459 0.490 0.413 0.021  0.024  0.010  45  PRO LLL CA   
3869 C C    . PRO B 45  ? 0.466 0.486 0.414 0.018  0.033  0.002  45  PRO LLL C    
3870 O O    . PRO B 45  ? 0.512 0.511 0.442 0.022  0.039  0.003  45  PRO LLL O    
3871 C CB   . PRO B 45  ? 0.461 0.508 0.416 0.027  0.015  0.016  45  PRO LLL CB   
3872 C CG   . PRO B 45  ? 0.457 0.500 0.409 0.030  0.010  0.022  45  PRO LLL CG   
3873 C CD   . PRO B 45  ? 0.486 0.504 0.421 0.032  0.017  0.019  45  PRO LLL CD   
3874 H HA   . PRO B 45  ? 0.454 0.494 0.420 0.017  0.022  0.008  45  PRO LLL HA   
3875 H HB2  . PRO B 45  ? 0.464 0.506 0.410 0.029  0.017  0.015  45  PRO LLL HB2  
3876 H HB3  . PRO B 45  ? 0.448 0.509 0.413 0.026  0.011  0.017  45  PRO LLL HB3  
3877 H HG2  . PRO B 45  ? 0.459 0.508 0.410 0.035  0.007  0.025  45  PRO LLL HG2  
3878 H HG3  . PRO B 45  ? 0.452 0.503 0.415 0.028  0.008  0.024  45  PRO LLL HG3  
3879 H HD2  . PRO B 45  ? 0.491 0.501 0.414 0.037  0.019  0.019  45  PRO LLL HD2  
3880 H HD3  . PRO B 45  ? 0.481 0.497 0.416 0.034  0.014  0.021  45  PRO LLL HD3  
3881 N N    . ARG B 46  ? 0.452 0.484 0.416 0.013  0.033  -0.006 46  ARG LLL N    
3882 C CA   . ARG B 46  ? 0.455 0.481 0.421 0.009  0.041  -0.017 46  ARG LLL CA   
3883 C C    . ARG B 46  ? 0.424 0.472 0.396 0.013  0.032  -0.019 46  ARG LLL C    
3884 O O    . ARG B 46  ? 0.397 0.467 0.382 0.015  0.023  -0.019 46  ARG LLL O    
3885 C CB   . ARG B 46  ? 0.479 0.506 0.464 -0.000 0.049  -0.029 46  ARG LLL CB   
3886 C CG   . ARG B 46  ? 0.530 0.552 0.524 -0.006 0.058  -0.043 46  ARG LLL CG   
3887 C CD   . ARG B 46  ? 0.585 0.615 0.605 -0.015 0.064  -0.057 46  ARG LLL CD   
3888 N NE   . ARG B 46  ? 0.634 0.668 0.674 -0.022 0.071  -0.075 46  ARG LLL NE   
3889 C CZ   . ARG B 46  ? 0.661 0.714 0.732 -0.028 0.069  -0.092 46  ARG LLL CZ   
3890 N NH1  . ARG B 46  ? 0.633 0.703 0.715 -0.026 0.061  -0.092 46  ARG LLL NH1  
3891 N NH2  . ARG B 46  ? 0.670 0.726 0.760 -0.034 0.076  -0.111 46  ARG LLL NH2  
3892 H H    . ARG B 46  ? 0.442 0.488 0.417 0.012  0.028  -0.007 46  ARG LLL H    
3893 H HA   . ARG B 46  ? 0.470 0.478 0.421 0.010  0.048  -0.016 46  ARG LLL HA   
3894 H HB2  . ARG B 46  ? 0.490 0.502 0.469 -0.002 0.056  -0.027 46  ARG LLL HB2  
3895 H HB3  . ARG B 46  ? 0.471 0.515 0.468 -0.000 0.041  -0.030 46  ARG LLL HB3  
3896 H HG2  . ARG B 46  ? 0.527 0.563 0.525 -0.003 0.051  -0.046 46  ARG LLL HG2  
3897 H HG3  . ARG B 46  ? 0.548 0.549 0.529 -0.007 0.068  -0.042 46  ARG LLL HG3  
3898 H HD2  . ARG B 46  ? 0.588 0.602 0.603 -0.019 0.073  -0.055 46  ARG LLL HD2  
3899 H HD3  . ARG B 46  ? 0.567 0.615 0.597 -0.013 0.054  -0.057 46  ARG LLL HD3  
3900 H HE   . ARG B 46  ? 0.643 0.665 0.675 -0.023 0.076  -0.076 46  ARG LLL HE   
3901 H HH11 . ARG B 46  ? 0.631 0.699 0.702 -0.023 0.057  -0.081 46  ARG LLL HH11 
3902 H HH12 . ARG B 46  ? 0.633 0.717 0.736 -0.029 0.059  -0.104 46  ARG LLL HH12 
3903 H HH21 . ARG B 46  ? 0.678 0.721 0.759 -0.035 0.082  -0.111 46  ARG LLL HH21 
3904 H HH22 . ARG B 46  ? 0.664 0.734 0.776 -0.037 0.074  -0.124 46  ARG LLL HH22 
3905 N N    . LEU B 47  ? 0.427 0.468 0.388 0.016  0.034  -0.020 47  LEU LLL N    
3906 C CA   . LEU B 47  ? 0.429 0.488 0.392 0.021  0.026  -0.023 47  LEU LLL CA   
3907 C C    . LEU B 47  ? 0.436 0.508 0.418 0.017  0.025  -0.038 47  LEU LLL C    
3908 O O    . LEU B 47  ? 0.443 0.501 0.431 0.009  0.036  -0.050 47  LEU LLL O    
3909 C CB   . LEU B 47  ? 0.433 0.479 0.378 0.025  0.030  -0.021 47  LEU LLL CB   
3910 C CG   . LEU B 47  ? 0.420 0.483 0.365 0.031  0.023  -0.024 47  LEU LLL CG   
3911 C CD1  . LEU B 47  ? 0.418 0.499 0.362 0.038  0.014  -0.013 47  LEU LLL CD1  
3912 C CD2  . LEU B 47  ? 0.441 0.487 0.370 0.035  0.028  -0.024 47  LEU LLL CD2  
3913 H H    . LEU B 47  ? 0.442 0.466 0.392 0.016  0.041  -0.020 47  LEU LLL H    
3914 H HA   . LEU B 47  ? 0.418 0.490 0.381 0.025  0.019  -0.016 47  LEU LLL HA   
3915 H HB2  . LEU B 47  ? 0.433 0.472 0.368 0.029  0.029  -0.013 47  LEU LLL HB2  
3916 H HB3  . LEU B 47  ? 0.444 0.475 0.388 0.021  0.038  -0.027 47  LEU LLL HB3  
3917 H HG   . LEU B 47  ? 0.426 0.495 0.381 0.029  0.022  -0.034 47  LEU LLL HG   
3918 H HD11 . LEU B 47  ? 0.408 0.500 0.362 0.037  0.010  -0.014 47  LEU LLL HD11 
3919 H HD12 . LEU B 47  ? 0.417 0.505 0.356 0.043  0.011  -0.013 47  LEU LLL HD12 
3920 H HD13 . LEU B 47  ? 0.413 0.489 0.352 0.039  0.014  -0.005 47  LEU LLL HD13 
3921 H HD21 . LEU B 47  ? 0.440 0.479 0.359 0.039  0.028  -0.016 47  LEU LLL HD21 
3922 H HD22 . LEU B 47  ? 0.438 0.495 0.366 0.039  0.024  -0.026 47  LEU LLL HD22 
3923 H HD23 . LEU B 47  ? 0.450 0.482 0.379 0.030  0.036  -0.031 47  LEU LLL HD23 
3924 N N    . LEU B 48  ? 0.435 0.530 0.424 0.023  0.014  -0.040 48  LEU LLL N    
3925 C CA   . LEU B 48  ? 0.454 0.566 0.461 0.022  0.009  -0.057 48  LEU LLL CA   
3926 C C    . LEU B 48  ? 0.467 0.589 0.466 0.031  0.003  -0.061 48  LEU LLL C    
3927 O O    . LEU B 48  ? 0.495 0.619 0.505 0.028  0.004  -0.078 48  LEU LLL O    
3928 C CB   . LEU B 48  ? 0.461 0.591 0.476 0.027  -0.001 -0.056 48  LEU LLL CB   
3929 C CG   . LEU B 48  ? 0.467 0.591 0.490 0.020  0.003  -0.052 48  LEU LLL CG   
3930 C CD1  . LEU B 48  ? 0.483 0.625 0.513 0.027  -0.008 -0.050 48  LEU LLL CD1  
3931 C CD2  . LEU B 48  ? 0.485 0.600 0.526 0.009  0.014  -0.067 48  LEU LLL CD2  
3932 H H    . LEU B 48  ? 0.432 0.534 0.415 0.028  0.009  -0.031 48  LEU LLL H    
3933 H HA   . LEU B 48  ? 0.460 0.565 0.477 0.015  0.016  -0.067 48  LEU LLL HA   
3934 H HB2  . LEU B 48  ? 0.458 0.593 0.463 0.034  -0.006 -0.046 48  LEU LLL HB2  
3935 H HB3  . LEU B 48  ? 0.462 0.603 0.489 0.028  -0.005 -0.068 48  LEU LLL HB3  
3936 H HG   . LEU B 48  ? 0.470 0.583 0.483 0.020  0.007  -0.040 48  LEU LLL HG   
3937 H HD11 . LEU B 48  ? 0.476 0.623 0.495 0.035  -0.013 -0.042 48  LEU LLL HD11 
3938 H HD12 . LEU B 48  ? 0.471 0.607 0.501 0.024  -0.006 -0.043 48  LEU LLL HD12 
3939 H HD13 . LEU B 48  ? 0.477 0.629 0.520 0.027  -0.011 -0.063 48  LEU LLL HD13 
3940 H HD21 . LEU B 48  ? 0.483 0.609 0.537 0.009  0.011  -0.080 48  LEU LLL HD21 
3941 H HD22 . LEU B 48  ? 0.477 0.592 0.525 0.006  0.015  -0.066 48  LEU LLL HD22 
3942 H HD23 . LEU B 48  ? 0.488 0.587 0.521 0.005  0.023  -0.065 48  LEU LLL HD23 
3943 N N    . ILE B 49  ? 0.456 0.584 0.439 0.040  -0.003 -0.047 49  ILE LLL N    
3944 C CA   . ILE B 49  ? 0.453 0.592 0.426 0.051  -0.010 -0.049 49  ILE LLL CA   
3945 C C    . ILE B 49  ? 0.457 0.588 0.412 0.054  -0.006 -0.034 49  ILE LLL C    
3946 O O    . ILE B 49  ? 0.414 0.540 0.364 0.054  -0.004 -0.020 49  ILE LLL O    
3947 C CB   . ILE B 49  ? 0.454 0.611 0.426 0.061  -0.021 -0.047 49  ILE LLL CB   
3948 C CG1  . ILE B 49  ? 0.468 0.637 0.460 0.060  -0.027 -0.065 49  ILE LLL CG1  
3949 C CG2  . ILE B 49  ? 0.466 0.632 0.422 0.074  -0.027 -0.047 49  ILE LLL CG2  
3950 C CD1  . ILE B 49  ? 0.480 0.655 0.483 0.059  -0.029 -0.087 49  ILE LLL CD1  
3951 H H    . ILE B 49  ? 0.451 0.575 0.428 0.041  -0.003 -0.036 49  ILE LLL H    
3952 H HA   . ILE B 49  ? 0.462 0.601 0.440 0.049  -0.010 -0.061 49  ILE LLL HA   
3953 H HB   . ILE B 49  ? 0.451 0.607 0.419 0.061  -0.020 -0.035 49  ILE LLL HB   
3954 H HG12 . ILE B 49  ? 0.459 0.622 0.461 0.052  -0.022 -0.064 49  ILE LLL HG12 
3955 H HG13 . ILE B 49  ? 0.467 0.646 0.455 0.069  -0.034 -0.062 49  ILE LLL HG13 
3956 H HG21 . ILE B 49  ? 0.465 0.627 0.410 0.077  -0.024 -0.034 49  ILE LLL HG21 
3957 H HG22 . ILE B 49  ? 0.470 0.647 0.426 0.082  -0.034 -0.051 49  ILE LLL HG22 
3958 H HG23 . ILE B 49  ? 0.470 0.635 0.428 0.073  -0.025 -0.056 49  ILE LLL HG23 
3959 H HD11 . ILE B 49  ? 0.485 0.665 0.478 0.067  -0.033 -0.087 49  ILE LLL HD11 
3960 H HD12 . ILE B 49  ? 0.479 0.665 0.496 0.060  -0.035 -0.099 49  ILE LLL HD12 
3961 H HD13 . ILE B 49  ? 0.479 0.642 0.488 0.050  -0.021 -0.090 49  ILE LLL HD13 
3962 N N    . TYR B 50  ? 0.469 0.598 0.415 0.059  -0.006 -0.040 50  TYR LLL N    
3963 C CA   . TYR B 50  ? 0.501 0.628 0.430 0.065  -0.004 -0.028 50  TYR LLL CA   
3964 C C    . TYR B 50  ? 0.525 0.666 0.445 0.077  -0.010 -0.031 50  TYR LLL C    
3965 O O    . TYR B 50  ? 0.495 0.644 0.421 0.080  -0.016 -0.046 50  TYR LLL O    
3966 C CB   . TYR B 50  ? 0.528 0.636 0.452 0.061  0.004  -0.029 50  TYR LLL CB   
3967 C CG   . TYR B 50  ? 0.546 0.646 0.471 0.059  0.006  -0.044 50  TYR LLL CG   
3968 C CD1  . TYR B 50  ? 0.590 0.683 0.530 0.049  0.010  -0.057 50  TYR LLL CD1  
3969 C CD2  . TYR B 50  ? 0.578 0.679 0.493 0.065  0.006  -0.048 50  TYR LLL CD2  
3970 C CE1  . TYR B 50  ? 0.604 0.691 0.551 0.045  0.015  -0.074 50  TYR LLL CE1  
3971 C CE2  . TYR B 50  ? 0.629 0.722 0.547 0.063  0.008  -0.063 50  TYR LLL CE2  
3972 C CZ   . TYR B 50  ? 0.632 0.718 0.568 0.052  0.013  -0.077 50  TYR LLL CZ   
3973 O OH   . TYR B 50  ? 0.683 0.761 0.627 0.048  0.018  -0.094 50  TYR LLL OH   
3974 H H    . TYR B 50  ? 0.481 0.612 0.432 0.058  -0.007 -0.051 50  TYR LLL H    
3975 H HA   . TYR B 50  ? 0.496 0.624 0.423 0.066  -0.004 -0.017 50  TYR LLL HA   
3976 H HB2  . TYR B 50  ? 0.525 0.634 0.440 0.066  0.004  -0.021 50  TYR LLL HB2  
3977 H HB3  . TYR B 50  ? 0.521 0.620 0.448 0.055  0.008  -0.026 50  TYR LLL HB3  
3978 H HD1  . TYR B 50  ? 0.575 0.669 0.523 0.045  0.011  -0.055 50  TYR LLL HD1  
3979 H HD2  . TYR B 50  ? 0.582 0.688 0.487 0.072  0.004  -0.039 50  TYR LLL HD2  
3980 H HE1  . TYR B 50  ? 0.609 0.691 0.569 0.038  0.019  -0.083 50  TYR LLL HE1  
3981 H HE2  . TYR B 50  ? 0.625 0.718 0.536 0.068  0.007  -0.066 50  TYR LLL HE2  
3983 N N    . LEU B 51  ? 0.521 0.664 0.428 0.084  -0.009 -0.019 51  LEU LLL N    
3984 C CA   . LEU B 51  ? 0.542 0.696 0.436 0.097  -0.013 -0.020 51  LEU LLL CA   
3985 C C    . LEU B 51  ? 0.515 0.681 0.408 0.104  -0.021 -0.024 51  LEU LLL C    
3986 O O    . LEU B 51  ? 0.506 0.680 0.392 0.114  -0.028 -0.034 51  LEU LLL O    
3987 C CB   . LEU B 51  ? 0.582 0.733 0.472 0.098  -0.014 -0.033 51  LEU LLL CB   
3988 C CG   . LEU B 51  ? 0.636 0.781 0.515 0.101  -0.008 -0.026 51  LEU LLL CG   
3989 C CD1  . LEU B 51  ? 0.676 0.811 0.555 0.099  -0.007 -0.040 51  LEU LLL CD1  
3990 C CD2  . LEU B 51  ? 0.633 0.789 0.497 0.114  -0.008 -0.018 51  LEU LLL CD2  
3991 H H    . LEU B 51  ? 0.520 0.658 0.426 0.082  -0.005 -0.010 51  LEU LLL H    
3992 H HA   . LEU B 51  ? 0.539 0.695 0.426 0.100  -0.010 -0.009 51  LEU LLL HA   
3993 H HB2  . LEU B 51  ? 0.584 0.728 0.484 0.091  -0.012 -0.042 51  LEU LLL HB2  
3994 H HB3  . LEU B 51  ? 0.593 0.753 0.480 0.106  -0.019 -0.040 51  LEU LLL HB3  
3995 H HG   . LEU B 51  ? 0.622 0.761 0.504 0.096  -0.004 -0.018 51  LEU LLL HG   
3996 H HD11 . LEU B 51  ? 0.664 0.789 0.551 0.091  -0.004 -0.044 51  LEU LLL HD11 
3997 H HD12 . LEU B 51  ? 0.670 0.801 0.540 0.102  -0.004 -0.036 51  LEU LLL HD12 
3998 H HD13 . LEU B 51  ? 0.674 0.815 0.552 0.104  -0.011 -0.050 51  LEU LLL HD13 
3999 H HD21 . LEU B 51  ? 0.645 0.807 0.504 0.121  -0.013 -0.025 51  LEU LLL HD21 
4000 H HD22 . LEU B 51  ? 0.639 0.792 0.498 0.116  -0.005 -0.016 51  LEU LLL HD22 
4001 H HD23 . LEU B 51  ? 0.631 0.791 0.497 0.114  -0.007 -0.008 51  LEU LLL HD23 
4002 N N    . ALA B 52  ? 0.453 0.620 0.354 0.100  -0.021 -0.017 52  ALA LLL N    
4003 C CA   . ALA B 52  ? 0.487 0.662 0.384 0.109  -0.028 -0.017 52  ALA LLL CA   
4004 C C    . ALA B 52  ? 0.491 0.675 0.401 0.110  -0.038 -0.038 52  ALA LLL C    
4005 O O    . ALA B 52  ? 0.497 0.687 0.411 0.113  -0.044 -0.039 52  ALA LLL O    
4006 C CB   . ALA B 52  ? 0.500 0.680 0.375 0.125  -0.029 -0.009 52  ALA LLL CB   
4007 H H    . ALA B 52  ? 0.463 0.623 0.370 0.093  -0.017 -0.011 52  ALA LLL H    
4008 H HA   . ALA B 52  ? 0.474 0.647 0.376 0.105  -0.026 -0.008 52  ALA LLL HA   
4009 H HB1  . ALA B 52  ? 0.508 0.689 0.376 0.132  -0.031 -0.004 52  ALA LLL HB1  
4010 H HB2  . ALA B 52  ? 0.501 0.676 0.370 0.124  -0.022 0.001  52  ALA LLL HB2  
4011 H HB3  . ALA B 52  ? 0.511 0.695 0.380 0.132  -0.034 -0.019 52  ALA LLL HB3  
4012 N N    . SER B 53  ? 0.494 0.680 0.409 0.109  -0.041 -0.055 53  SER LLL N    
4013 C CA   . SER B 53  ? 0.515 0.713 0.446 0.111  -0.051 -0.079 53  SER LLL CA   
4014 C C    . SER B 53  ? 0.510 0.701 0.462 0.096  -0.045 -0.095 53  SER LLL C    
4015 O O    . SER B 53  ? 0.516 0.718 0.486 0.096  -0.052 -0.117 53  SER LLL O    
4016 C CB   . SER B 53  ? 0.545 0.755 0.460 0.129  -0.061 -0.089 53  SER LLL CB   
4017 O OG   . SER B 53  ? 0.552 0.756 0.460 0.128  -0.056 -0.090 53  SER LLL OG   
4018 H H    . SER B 53  ? 0.500 0.681 0.410 0.108  -0.037 -0.054 53  SER LLL H    
4019 H HA   . SER B 53  ? 0.511 0.713 0.448 0.111  -0.054 -0.079 53  SER LLL HA   
4020 H HB2  . SER B 53  ? 0.547 0.766 0.474 0.131  -0.069 -0.106 53  SER LLL HB2  
4021 H HB3  . SER B 53  ? 0.551 0.762 0.449 0.139  -0.063 -0.078 53  SER LLL HB3  
4023 N N    . ASN B 54  ? 0.520 0.694 0.472 0.084  -0.033 -0.086 54  ASN LLL N    
4024 C CA   . ASN B 54  ? 0.533 0.695 0.500 0.072  -0.025 -0.100 54  ASN LLL CA   
4025 C C    . ASN B 54  ? 0.524 0.675 0.507 0.058  -0.016 -0.098 54  ASN LLL C    
4026 O O    . ASN B 54  ? 0.518 0.658 0.491 0.055  -0.011 -0.080 54  ASN LLL O    
4027 C CB   . ASN B 54  ? 0.552 0.698 0.505 0.070  -0.016 -0.093 54  ASN LLL CB   
4028 C CG   . ASN B 54  ? 0.590 0.744 0.527 0.084  -0.023 -0.096 54  ASN LLL CG   
4029 O OD1  . ASN B 54  ? 0.551 0.718 0.495 0.089  -0.032 -0.114 54  ASN LLL OD1  
4030 N ND2  . ASN B 54  ? 0.645 0.794 0.563 0.089  -0.020 -0.080 54  ASN LLL ND2  
4031 H H    . ASN B 54  ? 0.515 0.683 0.456 0.084  -0.029 -0.071 54  ASN LLL H    
4032 H HA   . ASN B 54  ? 0.539 0.710 0.517 0.073  -0.030 -0.117 54  ASN LLL HA   
4033 H HB2  . ASN B 54  ? 0.550 0.688 0.493 0.069  -0.012 -0.078 54  ASN LLL HB2  
4034 H HB3  . ASN B 54  ? 0.559 0.694 0.521 0.062  -0.010 -0.102 54  ASN LLL HB3  
4037 N N    . ARG B 55  ? 0.528 0.681 0.535 0.049  -0.014 -0.118 55  ARG LLL N    
4038 C CA   . ARG B 55  ? 0.530 0.672 0.554 0.035  -0.004 -0.119 55  ARG LLL CA   
4039 C C    . ARG B 55  ? 0.524 0.637 0.538 0.026  0.012  -0.111 55  ARG LLL C    
4040 O O    . ARG B 55  ? 0.504 0.608 0.517 0.025  0.017  -0.120 55  ARG LLL O    
4041 C CB   . ARG B 55  ? 0.570 0.722 0.626 0.028  -0.004 -0.144 55  ARG LLL CB   
4042 C CG   . ARG B 55  ? 0.589 0.766 0.658 0.035  -0.017 -0.150 55  ARG LLL CG   
4043 C CD   . ARG B 55  ? 0.619 0.806 0.724 0.025  -0.015 -0.176 55  ARG LLL CD   
4044 N NE   . ARG B 55  ? 0.652 0.851 0.772 0.028  -0.021 -0.200 55  ARG LLL NE   
4045 C CZ   . ARG B 55  ? 0.701 0.925 0.822 0.044  -0.040 -0.212 55  ARG LLL CZ   
4046 N NH1  . ARG B 55  ? 0.683 0.921 0.789 0.058  -0.054 -0.202 55  ARG LLL NH1  
4047 N NH2  . ARG B 55  ? 0.736 0.969 0.870 0.046  -0.045 -0.236 55  ARG LLL NH2  
4048 H H    . ARG B 55  ? 0.535 0.698 0.552 0.051  -0.019 -0.133 55  ARG LLL H    
4049 H HA   . ARG B 55  ? 0.525 0.669 0.544 0.037  -0.006 -0.108 55  ARG LLL HA   
4050 H HB2  . ARG B 55  ? 0.575 0.732 0.636 0.030  -0.007 -0.157 55  ARG LLL HB2  
4051 H HB3  . ARG B 55  ? 0.569 0.707 0.634 0.017  0.008  -0.146 55  ARG LLL HB3  
4052 H HG2  . ARG B 55  ? 0.581 0.754 0.642 0.035  -0.016 -0.136 55  ARG LLL HG2  
4053 H HG3  . ARG B 55  ? 0.592 0.782 0.653 0.046  -0.029 -0.152 55  ARG LLL HG3  
4054 H HD2  . ARG B 55  ? 0.618 0.788 0.730 0.013  -0.002 -0.175 55  ARG LLL HD2  
4055 H HD3  . ARG B 55  ? 0.612 0.812 0.725 0.029  -0.023 -0.178 55  ARG LLL HD3  
4056 H HE   . ARG B 55  ? 0.666 0.853 0.793 0.020  -0.011 -0.207 55  ARG LLL HE   
4057 H HH11 . ARG B 55  ? 0.679 0.910 0.777 0.057  -0.050 -0.187 55  ARG LLL HH11 
4058 H HH12 . ARG B 55  ? 0.692 0.945 0.796 0.070  -0.066 -0.211 55  ARG LLL HH12 
4059 H HH21 . ARG B 55  ? 0.729 0.951 0.873 0.036  -0.034 -0.243 55  ARG LLL HH21 
4060 H HH22 . ARG B 55  ? 0.729 0.979 0.863 0.057  -0.058 -0.245 55  ARG LLL HH22 
4061 N N    . ALA B 56  ? 0.535 0.633 0.541 0.022  0.019  -0.096 56  ALA LLL N    
4062 C CA   . ALA B 56  ? 0.561 0.629 0.554 0.015  0.034  -0.089 56  ALA LLL CA   
4063 C C    . ALA B 56  ? 0.613 0.665 0.624 0.003  0.049  -0.106 56  ALA LLL C    
4064 O O    . ALA B 56  ? 0.579 0.648 0.617 -0.002 0.046  -0.122 56  ALA LLL O    
4065 C CB   . ALA B 56  ? 0.560 0.617 0.540 0.016  0.036  -0.070 56  ALA LLL CB   
4066 H H    . ALA B 56  ? 0.526 0.630 0.532 0.023  0.015  -0.089 56  ALA LLL H    
4067 H HA   . ALA B 56  ? 0.573 0.635 0.552 0.020  0.034  -0.086 56  ALA LLL HA   
4068 H HB1  . ALA B 56  ? 0.568 0.605 0.537 0.014  0.045  -0.066 56  ALA LLL HB1  
4069 H HB2  . ALA B 56  ? 0.550 0.617 0.521 0.023  0.029  -0.061 56  ALA LLL HB2  
4070 H HB3  . ALA B 56  ? 0.552 0.614 0.545 0.011  0.037  -0.073 56  ALA LLL HB3  
4071 N N    . THR B 57  ? 0.705 0.726 0.702 -0.002 0.064  -0.102 57  THR LLL N    
4072 C CA   . THR B 57  ? 0.725 0.724 0.736 -0.014 0.083  -0.117 57  THR LLL CA   
4073 C C    . THR B 57  ? 0.672 0.672 0.703 -0.024 0.090  -0.121 57  THR LLL C    
4074 O O    . THR B 57  ? 0.618 0.616 0.638 -0.021 0.088  -0.107 57  THR LLL O    
4075 C CB   . THR B 57  ? 0.819 0.780 0.802 -0.012 0.097  -0.108 57  THR LLL CB   
4076 O OG1  . THR B 57  ? 0.910 0.851 0.909 -0.024 0.115  -0.125 57  THR LLL OG1  
4077 C CG2  . THR B 57  ? 0.834 0.772 0.790 -0.008 0.102  -0.088 57  THR LLL CG2  
4078 H H    . THR B 57  ? 0.691 0.700 0.668 0.003  0.065  -0.090 57  THR LLL H    
4079 H HA   . THR B 57  ? 0.728 0.740 0.756 -0.015 0.079  -0.131 57  THR LLL HA   
4080 H HB   . THR B 57  ? 0.818 0.785 0.791 -0.005 0.089  -0.106 57  THR LLL HB   
4082 H HG21 . THR B 57  ? 0.815 0.769 0.764 -0.002 0.090  -0.079 57  THR LLL HG21 
4083 H HG22 . THR B 57  ? 0.848 0.763 0.784 -0.005 0.110  -0.083 57  THR LLL HG22 
4084 H HG23 . THR B 57  ? 0.834 0.765 0.797 -0.015 0.111  -0.090 57  THR LLL HG23 
4085 N N    . GLY B 58  ? 0.677 0.683 0.741 -0.035 0.098  -0.143 58  GLY LLL N    
4086 C CA   . GLY B 58  ? 0.650 0.658 0.738 -0.045 0.107  -0.151 58  GLY LLL CA   
4087 C C    . GLY B 58  ? 0.600 0.641 0.699 -0.039 0.088  -0.148 58  GLY LLL C    
4088 O O    . GLY B 58  ? 0.628 0.667 0.738 -0.045 0.095  -0.149 58  GLY LLL O    
4089 H H    . GLY B 58  ? 0.678 0.687 0.752 -0.036 0.098  -0.156 58  GLY LLL H    
4090 H HA2  . GLY B 58  ? 0.656 0.669 0.770 -0.053 0.113  -0.170 58  GLY LLL HA2  
4091 H HA3  . GLY B 58  ? 0.661 0.645 0.736 -0.048 0.121  -0.142 58  GLY LLL HA3  
4092 N N    . ILE B 59  ? 0.534 0.601 0.627 -0.027 0.067  -0.145 59  ILE LLL N    
4093 C CA   . ILE B 59  ? 0.515 0.611 0.616 -0.020 0.049  -0.143 59  ILE LLL CA   
4094 C C    . ILE B 59  ? 0.508 0.634 0.644 -0.020 0.040  -0.170 59  ILE LLL C    
4095 O O    . ILE B 59  ? 0.503 0.639 0.643 -0.015 0.033  -0.182 59  ILE LLL O    
4096 C CB   . ILE B 59  ? 0.496 0.601 0.570 -0.005 0.034  -0.124 59  ILE LLL CB   
4097 C CG1  . ILE B 59  ? 0.497 0.577 0.541 -0.004 0.041  -0.101 59  ILE LLL CG1  
4098 C CG2  . ILE B 59  ? 0.478 0.611 0.560 0.003  0.017  -0.124 59  ILE LLL CG2  
4099 C CD1  . ILE B 59  ? 0.479 0.547 0.526 -0.011 0.050  -0.094 59  ILE LLL CD1  
4100 H H    . ILE B 59  ? 0.548 0.616 0.631 -0.022 0.062  -0.144 59  ILE LLL H    
4101 H HA   . ILE B 59  ? 0.510 0.600 0.613 -0.024 0.055  -0.138 59  ILE LLL HA   
4102 H HB   . ILE B 59  ? 0.501 0.610 0.571 -0.001 0.030  -0.129 59  ILE LLL HB   
4103 H HG12 . ILE B 59  ? 0.505 0.568 0.540 -0.007 0.049  -0.100 59  ILE LLL HG12 
4104 H HG13 . ILE B 59  ? 0.486 0.575 0.518 0.004  0.031  -0.090 59  ILE LLL HG13 
4105 H HG21 . ILE B 59  ? 0.480 0.629 0.571 0.008  0.008  -0.136 59  ILE LLL HG21 
4106 H HG22 . ILE B 59  ? 0.474 0.606 0.537 0.010  0.012  -0.109 59  ILE LLL HG22 
4107 H HG23 . ILE B 59  ? 0.476 0.610 0.570 -0.002 0.020  -0.127 59  ILE LLL HG23 
4108 H HD11 . ILE B 59  ? 0.475 0.559 0.535 -0.011 0.044  -0.098 59  ILE LLL HD11 
4109 H HD12 . ILE B 59  ? 0.482 0.541 0.510 -0.007 0.049  -0.079 59  ILE LLL HD12 
4110 H HD13 . ILE B 59  ? 0.496 0.547 0.547 -0.019 0.063  -0.100 59  ILE LLL HD13 
4111 N N    . PRO B 60  ? 0.531 0.672 0.693 -0.024 0.038  -0.181 60  PRO LLL N    
4112 C CA   . PRO B 60  ? 0.560 0.731 0.759 -0.024 0.029  -0.211 60  PRO LLL CA   
4113 C C    . PRO B 60  ? 0.552 0.751 0.743 -0.005 0.004  -0.214 60  PRO LLL C    
4114 O O    . PRO B 60  ? 0.529 0.728 0.691 0.006  -0.006 -0.192 60  PRO LLL O    
4115 C CB   . PRO B 60  ? 0.546 0.726 0.768 -0.029 0.031  -0.216 60  PRO LLL CB   
4116 C CG   . PRO B 60  ? 0.540 0.689 0.742 -0.037 0.049  -0.194 60  PRO LLL CG   
4117 C CD   . PRO B 60  ? 0.537 0.670 0.696 -0.028 0.044  -0.169 60  PRO LLL CD   
4118 H HA   . PRO B 60  ? 0.563 0.727 0.777 -0.032 0.039  -0.225 60  PRO LLL HA   
4119 H HB2  . PRO B 60  ? 0.537 0.735 0.756 -0.019 0.016  -0.214 60  PRO LLL HB2  
4120 H HB3  . PRO B 60  ? 0.550 0.738 0.802 -0.036 0.036  -0.237 60  PRO LLL HB3  
4121 H HG2  . PRO B 60  ? 0.534 0.688 0.738 -0.036 0.047  -0.190 60  PRO LLL HG2  
4122 H HG3  . PRO B 60  ? 0.552 0.684 0.763 -0.048 0.066  -0.200 60  PRO LLL HG3  
4123 H HD2  . PRO B 60  ? 0.525 0.667 0.673 -0.019 0.033  -0.158 60  PRO LLL HD2  
4124 H HD3  . PRO B 60  ? 0.541 0.650 0.686 -0.033 0.057  -0.158 60  PRO LLL HD3  
4125 N N    . ASP B 61  ? 0.581 0.800 0.796 -0.002 -0.005 -0.241 61  ASP LLL N    
4126 C CA   . ASP B 61  ? 0.586 0.829 0.789 0.018  -0.029 -0.246 61  ASP LLL CA   
4127 C C    . ASP B 61  ? 0.539 0.803 0.738 0.033  -0.047 -0.243 61  ASP LLL C    
4128 O O    . ASP B 61  ? 0.553 0.828 0.727 0.052  -0.064 -0.237 61  ASP LLL O    
4129 C CB   . ASP B 61  ? 0.629 0.888 0.857 0.019  -0.035 -0.277 61  ASP LLL CB   
4130 C CG   . ASP B 61  ? 0.670 0.942 0.949 0.005  -0.027 -0.308 61  ASP LLL CG   
4131 O OD1  . ASP B 61  ? 0.707 0.980 1.000 -0.002 -0.021 -0.305 61  ASP LLL OD1  
4132 O OD2  . ASP B 61  ? 0.721 1.002 1.027 0.001  -0.027 -0.335 61  ASP LLL OD2  
4133 H H    . ASP B 61  ? 0.581 0.802 0.822 -0.011 0.002  -0.259 61  ASP LLL H    
4134 H HA   . ASP B 61  ? 0.585 0.816 0.759 0.023  -0.028 -0.228 61  ASP LLL HA   
4135 H HB2  . ASP B 61  ? 0.633 0.910 0.854 0.034  -0.052 -0.282 61  ASP LLL HB2  
4136 H HB3  . ASP B 61  ? 0.636 0.880 0.855 0.015  -0.026 -0.274 61  ASP LLL HB3  
4137 N N    . ARG B 62  ? 0.493 0.760 0.709 0.026  -0.042 -0.243 62  ARG LLL N    
4138 C CA   . ARG B 62  ? 0.480 0.762 0.685 0.042  -0.059 -0.235 62  ARG LLL CA   
4139 C C    . ARG B 62  ? 0.472 0.738 0.632 0.052  -0.061 -0.201 62  ARG LLL C    
4140 O O    . ARG B 62  ? 0.456 0.732 0.599 0.068  -0.075 -0.193 62  ARG LLL O    
4141 C CB   . ARG B 62  ? 0.480 0.767 0.712 0.032  -0.053 -0.241 62  ARG LLL CB   
4142 C CG   . ARG B 62  ? 0.484 0.743 0.706 0.017  -0.033 -0.218 62  ARG LLL CG   
4143 C CD   . ARG B 62  ? 0.475 0.742 0.721 0.012  -0.030 -0.226 62  ARG LLL CD   
4144 N NE   . ARG B 62  ? 0.466 0.707 0.705 -0.002 -0.011 -0.208 62  ARG LLL NE   
4145 C CZ   . ARG B 62  ? 0.480 0.701 0.730 -0.019 0.011  -0.211 62  ARG LLL CZ   
4146 N NH1  . ARG B 62  ? 0.493 0.715 0.764 -0.027 0.019  -0.232 62  ARG LLL NH1  
4147 N NH2  . ARG B 62  ? 0.505 0.701 0.741 -0.028 0.026  -0.194 62  ARG LLL NH2  
4148 H H    . ARG B 62  ? 0.498 0.757 0.731 0.013  -0.029 -0.247 62  ARG LLL H    
4149 H HA   . ARG B 62  ? 0.488 0.790 0.699 0.054  -0.074 -0.250 62  ARG LLL HA   
4150 H HB2  . ARG B 62  ? 0.480 0.779 0.708 0.044  -0.066 -0.240 62  ARG LLL HB2  
4151 H HB3  . ARG B 62  ? 0.484 0.781 0.746 0.025  -0.050 -0.264 62  ARG LLL HB3  
4152 H HG2  . ARG B 62  ? 0.484 0.729 0.710 0.006  -0.019 -0.220 62  ARG LLL HG2  
4153 H HG3  . ARG B 62  ? 0.479 0.727 0.672 0.023  -0.035 -0.197 62  ARG LLL HG3  
4154 H HD2  . ARG B 62  ? 0.473 0.751 0.711 0.024  -0.044 -0.223 62  ARG LLL HD2  
4155 H HD3  . ARG B 62  ? 0.477 0.757 0.754 0.007  -0.029 -0.249 62  ARG LLL HD3  
4156 H HE   . ARG B 62  ? 0.465 0.703 0.691 0.002  -0.014 -0.195 62  ARG LLL HE   
4157 H HH11 . ARG B 62  ? 0.494 0.732 0.773 -0.021 0.008  -0.245 62  ARG LLL HH11 
4158 H HH12 . ARG B 62  ? 0.499 0.704 0.775 -0.038 0.035  -0.233 62  ARG LLL HH12 
4159 H HH21 . ARG B 62  ? 0.489 0.685 0.713 -0.023 0.021  -0.181 62  ARG LLL HH21 
4160 H HH22 . ARG B 62  ? 0.502 0.683 0.742 -0.038 0.041  -0.195 62  ARG LLL HH22 
4161 N N    . PHE B 63  ? 0.459 0.700 0.599 0.042  -0.047 -0.182 63  PHE LLL N    
4162 C CA   . PHE B 63  ? 0.456 0.684 0.558 0.051  -0.048 -0.152 63  PHE LLL CA   
4163 C C    . PHE B 63  ? 0.486 0.719 0.568 0.064  -0.057 -0.153 63  PHE LLL C    
4164 O O    . PHE B 63  ? 0.501 0.731 0.589 0.059  -0.052 -0.165 63  PHE LLL O    
4165 C CB   . PHE B 63  ? 0.445 0.647 0.536 0.037  -0.031 -0.133 63  PHE LLL CB   
4166 C CG   . PHE B 63  ? 0.439 0.633 0.541 0.027  -0.023 -0.128 63  PHE LLL CG   
4167 C CD1  . PHE B 63  ? 0.460 0.650 0.589 0.013  -0.011 -0.144 63  PHE LLL CD1  
4168 C CD2  . PHE B 63  ? 0.436 0.627 0.523 0.032  -0.026 -0.108 63  PHE LLL CD2  
4169 C CE1  . PHE B 63  ? 0.459 0.642 0.597 0.005  -0.003 -0.139 63  PHE LLL CE1  
4170 C CE2  . PHE B 63  ? 0.447 0.630 0.543 0.024  -0.019 -0.104 63  PHE LLL CE2  
4171 C CZ   . PHE B 63  ? 0.456 0.636 0.577 0.011  -0.008 -0.120 63  PHE LLL CZ   
4172 H H    . PHE B 63  ? 0.462 0.692 0.611 0.031  -0.035 -0.185 63  PHE LLL H    
4173 H HA   . PHE B 63  ? 0.457 0.691 0.553 0.058  -0.055 -0.146 63  PHE LLL HA   
4174 H HB2  . PHE B 63  ? 0.451 0.645 0.548 0.030  -0.023 -0.140 63  PHE LLL HB2  
4175 H HB3  . PHE B 63  ? 0.446 0.642 0.516 0.043  -0.032 -0.117 63  PHE LLL HB3  
4176 H HD1  . PHE B 63  ? 0.462 0.654 0.604 0.009  -0.007 -0.158 63  PHE LLL HD1  
4177 H HD2  . PHE B 63  ? 0.441 0.633 0.511 0.041  -0.032 -0.097 63  PHE LLL HD2  
4178 H HE1  . PHE B 63  ? 0.460 0.639 0.616 -0.005 0.007  -0.150 63  PHE LLL HE1  
4179 H HE2  . PHE B 63  ? 0.440 0.621 0.527 0.027  -0.022 -0.092 63  PHE LLL HE2  
4180 H HZ   . PHE B 63  ? 0.448 0.623 0.575 0.006  -0.003 -0.117 63  PHE LLL HZ   
4181 N N    . SER B 64  ? 0.493 0.729 0.548 0.080  -0.067 -0.137 64  SER LLL N    
4182 C CA   . SER B 64  ? 0.527 0.769 0.558 0.097  -0.076 -0.136 64  SER LLL CA   
4183 C C    . SER B 64  ? 0.515 0.745 0.513 0.105  -0.073 -0.107 64  SER LLL C    
4184 O O    . SER B 64  ? 0.497 0.727 0.487 0.111  -0.076 -0.095 64  SER LLL O    
4185 C CB   . SER B 64  ? 0.546 0.810 0.582 0.114  -0.094 -0.156 64  SER LLL CB   
4186 O OG   . SER B 64  ? 0.597 0.868 0.620 0.126  -0.101 -0.164 64  SER LLL OG   
4187 H H    . SER B 64  ? 0.493 0.728 0.542 0.082  -0.067 -0.126 64  SER LLL H    
4188 H HA   . SER B 64  ? 0.524 0.762 0.557 0.092  -0.071 -0.142 64  SER LLL HA   
4189 H HB2  . SER B 64  ? 0.548 0.822 0.611 0.107  -0.095 -0.173 64  SER LLL HB2  
4190 H HB3  . SER B 64  ? 0.556 0.822 0.579 0.124  -0.099 -0.146 64  SER LLL HB3  
4192 N N    . GLY B 65  ? 0.517 0.736 0.498 0.104  -0.066 -0.095 65  GLY LLL N    
4193 C CA   . GLY B 65  ? 0.521 0.732 0.473 0.112  -0.062 -0.071 65  GLY LLL CA   
4194 C C    . GLY B 65  ? 0.522 0.740 0.451 0.132  -0.071 -0.074 65  GLY LLL C    
4195 O O    . GLY B 65  ? 0.495 0.721 0.430 0.134  -0.076 -0.092 65  GLY LLL O    
4196 H H    . GLY B 65  ? 0.516 0.732 0.503 0.097  -0.062 -0.102 65  GLY LLL H    
4197 H HA2  . GLY B 65  ? 0.514 0.723 0.464 0.114  -0.062 -0.062 65  GLY LLL HA2  
4198 H HA3  . GLY B 65  ? 0.510 0.710 0.460 0.104  -0.053 -0.062 65  GLY LLL HA3  
4199 N N    . SER B 66  ? 0.529 0.744 0.433 0.147  -0.072 -0.058 66  SER LLL N    
4200 C CA   . SER B 66  ? 0.579 0.795 0.453 0.166  -0.077 -0.055 66  SER LLL CA   
4201 C C    . SER B 66  ? 0.586 0.789 0.435 0.173  -0.066 -0.028 66  SER LLL C    
4202 O O    . SER B 66  ? 0.582 0.775 0.438 0.161  -0.057 -0.013 66  SER LLL O    
4203 C CB   . SER B 66  ? 0.616 0.847 0.485 0.186  -0.094 -0.074 66  SER LLL CB   
4204 O OG   . SER B 66  ? 0.640 0.871 0.508 0.192  -0.098 -0.069 66  SER LLL OG   
4205 H H    . SER B 66  ? 0.534 0.744 0.436 0.146  -0.070 -0.047 66  SER LLL H    
4206 H HA   . SER B 66  ? 0.575 0.793 0.451 0.163  -0.075 -0.061 66  SER LLL HA   
4207 H HB2  . SER B 66  ? 0.636 0.866 0.482 0.200  -0.097 -0.072 66  SER LLL HB2  
4208 H HB3  . SER B 66  ? 0.610 0.851 0.499 0.180  -0.100 -0.093 66  SER LLL HB3  
4210 N N    . GLY B 67  ? 0.598 0.800 0.417 0.191  -0.067 -0.024 67  GLY LLL N    
4211 C CA   . GLY B 67  ? 0.601 0.788 0.393 0.199  -0.054 0.001  67  GLY LLL CA   
4212 C C    . GLY B 67  ? 0.591 0.775 0.383 0.191  -0.042 0.009  67  GLY LLL C    
4213 O O    . GLY B 67  ? 0.581 0.770 0.390 0.179  -0.043 -0.003 67  GLY LLL O    
4214 H H    . GLY B 67  ? 0.609 0.818 0.422 0.201  -0.075 -0.036 67  GLY LLL H    
4215 H HA2  . GLY B 67  ? 0.627 0.813 0.396 0.216  -0.058 0.001  67  GLY LLL HA2  
4216 H HA3  . GLY B 67  ? 0.596 0.777 0.394 0.192  -0.049 0.011  67  GLY LLL HA3  
4217 N N    . SER B 68  ? 0.612 0.784 0.382 0.197  -0.029 0.029  68  SER LLL N    
4218 C CA   . SER B 68  ? 0.623 0.792 0.389 0.193  -0.015 0.039  68  SER LLL CA   
4219 C C    . SER B 68  ? 0.646 0.802 0.398 0.197  0.002  0.061  68  SER LLL C    
4220 O O    . SER B 68  ? 0.687 0.835 0.425 0.206  0.001  0.068  68  SER LLL O    
4221 C CB   . SER B 68  ? 0.652 0.825 0.397 0.208  -0.020 0.029  68  SER LLL CB   
4222 O OG   . SER B 68  ? 0.691 0.860 0.404 0.231  -0.024 0.032  68  SER LLL OG   
4223 H H    . SER B 68  ? 0.628 0.794 0.385 0.205  -0.026 0.037  68  SER LLL H    
4224 H HA   . SER B 68  ? 0.602 0.773 0.389 0.178  -0.013 0.036  68  SER LLL HA   
4225 H HB2  . SER B 68  ? 0.652 0.823 0.394 0.206  -0.010 0.036  68  SER LLL HB2  
4226 H HB3  . SER B 68  ? 0.641 0.823 0.398 0.205  -0.030 0.014  68  SER LLL HB3  
4228 N N    . GLY B 69  ? 0.666 0.819 0.421 0.191  0.017  0.072  69  GLY LLL N    
4229 C CA   . GLY B 69  ? 0.669 0.810 0.414 0.193  0.036  0.092  69  GLY LLL CA   
4230 C C    . GLY B 69  ? 0.659 0.794 0.428 0.177  0.041  0.100  69  GLY LLL C    
4231 O O    . GLY B 69  ? 0.603 0.745 0.402 0.160  0.043  0.097  69  GLY LLL O    
4232 H H    . GLY B 69  ? 0.646 0.804 0.410 0.185  0.016  0.066  69  GLY LLL H    
4233 H HA2  . GLY B 69  ? 0.674 0.816 0.421 0.191  0.045  0.095  69  GLY LLL HA2  
4234 H HA3  . GLY B 69  ? 0.702 0.834 0.421 0.208  0.037  0.097  69  GLY LLL HA3  
4235 N N    . THR B 70  ? 0.677 0.801 0.433 0.185  0.044  0.109  70  THR LLL N    
4236 C CA   . THR B 70  ? 0.696 0.813 0.473 0.172  0.050  0.117  70  THR LLL CA   
4237 C C    . THR B 70  ? 0.700 0.818 0.479 0.174  0.034  0.109  70  THR LLL C    
4238 O O    . THR B 70  ? 0.710 0.820 0.501 0.166  0.038  0.116  70  THR LLL O    
4239 C CB   . THR B 70  ? 0.713 0.811 0.476 0.177  0.072  0.137  70  THR LLL CB   
4240 O OG1  . THR B 70  ? 0.758 0.843 0.481 0.200  0.070  0.142  70  THR LLL OG1  
4241 C CG2  . THR B 70  ? 0.711 0.811 0.480 0.172  0.090  0.144  70  THR LLL CG2  
4242 H H    . THR B 70  ? 0.708 0.825 0.440 0.199  0.042  0.111  70  THR LLL H    
4243 H HA   . THR B 70  ? 0.665 0.789 0.467 0.158  0.051  0.115  70  THR LLL HA   
4244 H HB   . THR B 70  ? 0.707 0.801 0.485 0.168  0.075  0.141  70  THR LLL HB   
4246 H HG21 . THR B 70  ? 0.688 0.800 0.478 0.161  0.085  0.136  70  THR LLL HG21 
4247 H HG22 . THR B 70  ? 0.722 0.812 0.495 0.169  0.104  0.154  70  THR LLL HG22 
4248 H HG23 . THR B 70  ? 0.733 0.830 0.478 0.185  0.091  0.144  70  THR LLL HG23 
4249 N N    . ASP B 71  ? 0.699 0.826 0.467 0.184  0.017  0.094  71  ASP LLL N    
4250 C CA   . ASP B 71  ? 0.722 0.851 0.488 0.192  0.002  0.086  71  ASP LLL CA   
4251 C C    . ASP B 71  ? 0.645 0.791 0.432 0.184  -0.016 0.063  71  ASP LLL C    
4252 O O    . ASP B 71  ? 0.633 0.788 0.410 0.194  -0.025 0.050  71  ASP LLL O    
4253 C CB   . ASP B 71  ? 0.832 0.950 0.556 0.218  -0.001 0.090  71  ASP LLL CB   
4254 C CG   . ASP B 71  ? 0.932 1.037 0.649 0.224  -0.001 0.098  71  ASP LLL CG   
4255 O OD1  . ASP B 71  ? 0.953 1.067 0.690 0.218  -0.014 0.086  71  ASP LLL OD1  
4256 O OD2  . ASP B 71  ? 1.054 1.138 0.747 0.233  0.015  0.117  71  ASP LLL OD2  
4257 H H    . ASP B 71  ? 0.703 0.837 0.468 0.187  0.013  0.087  71  ASP LLL H    
4258 H HA   . ASP B 71  ? 0.713 0.836 0.489 0.184  0.006  0.092  71  ASP LLL HA   
4259 H HB2  . ASP B 71  ? 0.851 0.961 0.559 0.224  0.011  0.100  71  ASP LLL HB2  
4260 H HB3  . ASP B 71  ? 0.837 0.964 0.555 0.227  -0.014 0.076  71  ASP LLL HB3  
4261 N N    . PHE B 72  ? 0.591 0.742 0.407 0.167  -0.019 0.059  72  PHE LLL N    
4262 C CA   . PHE B 72  ? 0.575 0.739 0.414 0.157  -0.030 0.039  72  PHE LLL CA   
4263 C C    . PHE B 72  ? 0.560 0.728 0.413 0.155  -0.040 0.029  72  PHE LLL C    
4264 O O    . PHE B 72  ? 0.566 0.726 0.420 0.154  -0.036 0.040  72  PHE LLL O    
4265 C CB   . PHE B 72  ? 0.555 0.719 0.416 0.137  -0.022 0.040  72  PHE LLL CB   
4266 C CG   . PHE B 72  ? 0.548 0.710 0.399 0.139  -0.013 0.047  72  PHE LLL CG   
4267 C CD1  . PHE B 72  ? 0.546 0.715 0.394 0.141  -0.017 0.035  72  PHE LLL CD1  
4268 C CD2  . PHE B 72  ? 0.558 0.711 0.404 0.138  0.001  0.065  72  PHE LLL CD2  
4269 C CE1  . PHE B 72  ? 0.554 0.722 0.392 0.144  -0.009 0.041  72  PHE LLL CE1  
4270 C CE2  . PHE B 72  ? 0.572 0.726 0.411 0.140  0.010  0.070  72  PHE LLL CE2  
4271 C CZ   . PHE B 72  ? 0.562 0.723 0.396 0.143  0.005  0.058  72  PHE LLL CZ   
4272 H H    . PHE B 72  ? 0.594 0.738 0.417 0.161  -0.013 0.067  72  PHE LLL H    
4273 H HA   . PHE B 72  ? 0.582 0.752 0.413 0.165  -0.036 0.029  72  PHE LLL HA   
4274 H HB2  . PHE B 72  ? 0.543 0.701 0.413 0.130  -0.017 0.048  72  PHE LLL HB2  
4275 H HB3  . PHE B 72  ? 0.539 0.708 0.413 0.131  -0.028 0.028  72  PHE LLL HB3  
4276 H HD1  . PHE B 72  ? 0.545 0.719 0.398 0.141  -0.026 0.022  72  PHE LLL HD1  
4277 H HD2  . PHE B 72  ? 0.559 0.707 0.408 0.136  0.005  0.073  72  PHE LLL HD2  
4278 H HE1  . PHE B 72  ? 0.556 0.728 0.391 0.146  -0.013 0.032  72  PHE LLL HE1  
4279 H HE2  . PHE B 72  ? 0.571 0.721 0.410 0.138  0.021  0.081  72  PHE LLL HE2  
4280 H HZ   . PHE B 72  ? 0.568 0.729 0.397 0.145  0.011  0.061  72  PHE LLL HZ   
4281 N N    . THR B 73  ? 0.582 0.763 0.448 0.154  -0.052 0.008  73  THR LLL N    
4282 C CA   . THR B 73  ? 0.561 0.751 0.444 0.154  -0.063 -0.006 73  THR LLL CA   
4283 C C    . THR B 73  ? 0.533 0.731 0.447 0.137  -0.064 -0.023 73  THR LLL C    
4284 O O    . THR B 73  ? 0.500 0.704 0.416 0.136  -0.066 -0.035 73  THR LLL O    
4285 C CB   . THR B 73  ? 0.593 0.793 0.461 0.176  -0.078 -0.020 73  THR LLL CB   
4286 O OG1  . THR B 73  ? 0.627 0.814 0.463 0.193  -0.074 -0.001 73  THR LLL OG1  
4287 C CG2  . THR B 73  ? 0.592 0.804 0.481 0.176  -0.090 -0.037 73  THR LLL CG2  
4288 H H    . THR B 73  ? 0.570 0.756 0.438 0.154  -0.054 -0.000 73  THR LLL H    
4289 H HA   . THR B 73  ? 0.561 0.744 0.446 0.151  -0.059 0.004  73  THR LLL HA   
4290 H HB   . THR B 73  ? 0.598 0.804 0.464 0.180  -0.082 -0.029 73  THR LLL HB   
4292 H HG21 . THR B 73  ? 0.580 0.802 0.488 0.169  -0.094 -0.053 73  THR LLL HG21 
4293 H HG22 . THR B 73  ? 0.610 0.825 0.484 0.193  -0.099 -0.041 73  THR LLL HG22 
4294 H HG23 . THR B 73  ? 0.580 0.786 0.478 0.168  -0.085 -0.029 73  THR LLL HG23 
4295 N N    . LEU B 74  ? 0.520 0.717 0.455 0.124  -0.063 -0.025 74  LEU LLL N    
4296 C CA   . LEU B 74  ? 0.521 0.724 0.484 0.110  -0.064 -0.043 74  LEU LLL CA   
4297 C C    . LEU B 74  ? 0.523 0.740 0.497 0.119  -0.076 -0.059 74  LEU LLL C    
4298 O O    . LEU B 74  ? 0.515 0.729 0.485 0.124  -0.078 -0.051 74  LEU LLL O    
4299 C CB   . LEU B 74  ? 0.509 0.700 0.485 0.092  -0.052 -0.033 74  LEU LLL CB   
4300 C CG   . LEU B 74  ? 0.515 0.709 0.518 0.078  -0.049 -0.049 74  LEU LLL CG   
4301 C CD1  . LEU B 74  ? 0.510 0.702 0.515 0.072  -0.045 -0.060 74  LEU LLL CD1  
4302 C CD2  . LEU B 74  ? 0.528 0.708 0.538 0.064  -0.039 -0.039 74  LEU LLL CD2  
4303 H H    . LEU B 74  ? 0.523 0.713 0.454 0.124  -0.060 -0.014 74  LEU LLL H    
4304 H HA   . LEU B 74  ? 0.519 0.726 0.484 0.109  -0.064 -0.052 74  LEU LLL HA   
4305 H HB2  . LEU B 74  ? 0.509 0.694 0.478 0.089  -0.046 -0.023 74  LEU LLL HB2  
4306 H HB3  . LEU B 74  ? 0.511 0.700 0.485 0.094  -0.052 -0.025 74  LEU LLL HB3  
4307 H HG   . LEU B 74  ? 0.517 0.721 0.530 0.081  -0.056 -0.062 74  LEU LLL HG   
4308 H HD11 . LEU B 74  ? 0.520 0.723 0.525 0.080  -0.052 -0.070 74  LEU LLL HD11 
4309 H HD12 . LEU B 74  ? 0.507 0.695 0.526 0.062  -0.040 -0.067 74  LEU LLL HD12 
4310 H HD13 . LEU B 74  ? 0.513 0.697 0.505 0.072  -0.040 -0.048 74  LEU LLL HD13 
4311 H HD21 . LEU B 74  ? 0.518 0.689 0.519 0.061  -0.034 -0.029 74  LEU LLL HD21 
4312 H HD22 . LEU B 74  ? 0.515 0.695 0.540 0.056  -0.036 -0.049 74  LEU LLL HD22 
4313 H HD23 . LEU B 74  ? 0.519 0.700 0.528 0.067  -0.042 -0.033 74  LEU LLL HD23 
4314 N N    . THR B 75  ? 0.517 0.749 0.506 0.121  -0.084 -0.083 75  THR LLL N    
4315 C CA   . THR B 75  ? 0.515 0.765 0.523 0.128  -0.097 -0.105 75  THR LLL CA   
4316 C C    . THR B 75  ? 0.489 0.744 0.534 0.108  -0.090 -0.122 75  THR LLL C    
4317 O O    . THR B 75  ? 0.484 0.735 0.537 0.097  -0.083 -0.129 75  THR LLL O    
4318 C CB   . THR B 75  ? 0.540 0.806 0.540 0.148  -0.113 -0.123 75  THR LLL CB   
4319 O OG1  . THR B 75  ? 0.534 0.791 0.495 0.166  -0.115 -0.104 75  THR LLL OG1  
4320 C CG2  . THR B 75  ? 0.537 0.823 0.555 0.159  -0.128 -0.144 75  THR LLL CG2  
4321 H H    . THR B 75  ? 0.518 0.752 0.508 0.119  -0.083 -0.089 75  THR LLL H    
4322 H HA   . THR B 75  ? 0.517 0.764 0.519 0.133  -0.099 -0.096 75  THR LLL HA   
4323 H HB   . THR B 75  ? 0.529 0.801 0.540 0.142  -0.112 -0.135 75  THR LLL HB   
4325 H HG21 . THR B 75  ? 0.529 0.824 0.575 0.148  -0.127 -0.161 75  THR LLL HG21 
4326 H HG22 . THR B 75  ? 0.557 0.852 0.563 0.176  -0.140 -0.153 75  THR LLL HG22 
4327 H HG23 . THR B 75  ? 0.539 0.820 0.551 0.161  -0.128 -0.133 75  THR LLL HG23 
4328 N N    . ILE B 76  ? 0.496 0.756 0.561 0.104  -0.092 -0.128 76  ILE LLL N    
4329 C CA   . ILE B 76  ? 0.504 0.772 0.607 0.088  -0.087 -0.149 76  ILE LLL CA   
4330 C C    . ILE B 76  ? 0.506 0.801 0.630 0.100  -0.103 -0.177 76  ILE LLL C    
4331 O O    . ILE B 76  ? 0.493 0.794 0.615 0.111  -0.112 -0.175 76  ILE LLL O    
4332 C CB   . ILE B 76  ? 0.494 0.748 0.604 0.073  -0.074 -0.136 76  ILE LLL CB   
4333 C CG1  . ILE B 76  ? 0.497 0.728 0.582 0.067  -0.062 -0.109 76  ILE LLL CG1  
4334 C CG2  . ILE B 76  ? 0.524 0.781 0.670 0.055  -0.063 -0.156 76  ILE LLL CG2  
4335 C CD1  . ILE B 76  ? 0.507 0.724 0.596 0.055  -0.052 -0.096 76  ILE LLL CD1  
4336 H H    . ILE B 76  ? 0.500 0.758 0.555 0.110  -0.095 -0.119 76  ILE LLL H    
4337 H HA   . ILE B 76  ? 0.498 0.764 0.607 0.080  -0.080 -0.155 76  ILE LLL HA   
4338 H HB   . ILE B 76  ? 0.503 0.762 0.612 0.081  -0.080 -0.134 76  ILE LLL HB   
4339 H HG12 . ILE B 76  ? 0.500 0.725 0.585 0.061  -0.056 -0.111 76  ILE LLL HG12 
4340 H HG13 . ILE B 76  ? 0.506 0.736 0.571 0.078  -0.068 -0.098 76  ILE LLL HG13 
4341 H HG21 . ILE B 76  ? 0.515 0.789 0.680 0.060  -0.071 -0.175 76  ILE LLL HG21 
4342 H HG22 . ILE B 76  ? 0.505 0.753 0.654 0.048  -0.056 -0.148 76  ILE LLL HG22 
4343 H HG23 . ILE B 76  ? 0.513 0.762 0.659 0.048  -0.055 -0.157 76  ILE LLL HG23 
4344 H HD11 . ILE B 76  ? 0.500 0.724 0.595 0.060  -0.058 -0.099 76  ILE LLL HD11 
4345 H HD12 . ILE B 76  ? 0.499 0.704 0.571 0.056  -0.048 -0.079 76  ILE LLL HD12 
4346 H HD13 . ILE B 76  ? 0.496 0.708 0.599 0.044  -0.043 -0.103 76  ILE LLL HD13 
4347 N N    . SER B 77  ? 0.526 0.836 0.670 0.100  -0.108 -0.202 77  SER LLL N    
4348 C CA   . SER B 77  ? 0.568 0.906 0.728 0.117  -0.128 -0.231 77  SER LLL CA   
4349 C C    . SER B 77  ? 0.554 0.908 0.752 0.111  -0.129 -0.249 77  SER LLL C    
4350 O O    . SER B 77  ? 0.563 0.936 0.764 0.130  -0.147 -0.262 77  SER LLL O    
4351 C CB   . SER B 77  ? 0.590 0.940 0.766 0.117  -0.131 -0.255 77  SER LLL CB   
4352 O OG   . SER B 77  ? 0.597 0.945 0.811 0.092  -0.115 -0.269 77  SER LLL OG   
4353 H H    . SER B 77  ? 0.526 0.830 0.677 0.090  -0.099 -0.205 77  SER LLL H    
4354 H HA   . SER B 77  ? 0.575 0.914 0.710 0.135  -0.138 -0.222 77  SER LLL HA   
4355 H HB2  . SER B 77  ? 0.601 0.971 0.784 0.131  -0.147 -0.274 77  SER LLL HB2  
4356 H HB3  . SER B 77  ? 0.596 0.935 0.746 0.120  -0.129 -0.241 77  SER LLL HB3  
4358 N N    . ARG B 78  ? 0.545 0.889 0.769 0.087  -0.110 -0.249 78  ARG LLL N    
4359 C CA   . ARG B 78  ? 0.557 0.914 0.817 0.079  -0.108 -0.266 78  ARG LLL CA   
4360 C C    . ARG B 78  ? 0.545 0.877 0.803 0.059  -0.086 -0.244 78  ARG LLL C    
4361 O O    . ARG B 78  ? 0.584 0.900 0.851 0.041  -0.067 -0.243 78  ARG LLL O    
4362 C CB   . ARG B 78  ? 0.583 0.963 0.892 0.071  -0.107 -0.304 78  ARG LLL CB   
4363 C CG   . ARG B 78  ? 0.620 1.007 0.972 0.054  -0.094 -0.320 78  ARG LLL CG   
4364 C CD   . ARG B 78  ? 0.662 1.077 1.068 0.048  -0.096 -0.362 78  ARG LLL CD   
4365 N NE   . ARG B 78  ? 0.701 1.130 1.148 0.039  -0.090 -0.378 78  ARG LLL NE   
4366 C CZ   . ARG B 78  ? 0.719 1.176 1.182 0.055  -0.109 -0.395 78  ARG LLL CZ   
4367 N NH1  . ARG B 78  ? 0.731 1.204 1.171 0.082  -0.137 -0.398 78  ARG LLL NH1  
4368 N NH2  . ARG B 78  ? 0.723 1.191 1.225 0.044  -0.100 -0.411 78  ARG LLL NH2  
4369 H H    . ARG B 78  ? 0.543 0.872 0.762 0.075  -0.097 -0.239 78  ARG LLL H    
4370 H HA   . ARG B 78  ? 0.563 0.930 0.817 0.094  -0.121 -0.266 78  ARG LLL HA   
4371 H HB2  . ARG B 78  ? 0.597 0.997 0.910 0.086  -0.125 -0.320 78  ARG LLL HB2  
4372 H HB3  . ARG B 78  ? 0.588 0.959 0.897 0.062  -0.098 -0.304 78  ARG LLL HB3  
4373 H HG2  . ARG B 78  ? 0.612 0.978 0.961 0.038  -0.076 -0.307 78  ARG LLL HG2  
4374 H HG3  . ARG B 78  ? 0.615 1.007 0.963 0.061  -0.101 -0.315 78  ARG LLL HG3  
4375 H HD2  . ARG B 78  ? 0.671 1.105 1.077 0.064  -0.115 -0.376 78  ARG LLL HD2  
4376 H HD3  . ARG B 78  ? 0.664 1.069 1.079 0.034  -0.083 -0.366 78  ARG LLL HD3  
4377 H HE   . ARG B 78  ? 0.691 1.109 1.152 0.022  -0.072 -0.378 78  ARG LLL HE   
4378 H HH11 . ARG B 78  ? 0.735 1.200 1.149 0.090  -0.142 -0.388 78  ARG LLL HH11 
4379 H HH12 . ARG B 78  ? 0.732 1.222 1.182 0.094  -0.149 -0.409 78  ARG LLL HH12 
4380 H HH21 . ARG B 78  ? 0.713 1.169 1.229 0.026  -0.080 -0.409 78  ARG LLL HH21 
4381 H HH22 . ARG B 78  ? 0.719 1.206 1.233 0.055  -0.113 -0.422 78  ARG LLL HH22 
4382 N N    . LEU B 79  ? 0.513 0.838 0.756 0.064  -0.088 -0.226 79  LEU LLL N    
4383 C CA   . LEU B 79  ? 0.527 0.826 0.760 0.049  -0.070 -0.203 79  LEU LLL CA   
4384 C C    . LEU B 79  ? 0.517 0.818 0.789 0.030  -0.054 -0.221 79  LEU LLL C    
4385 O O    . LEU B 79  ? 0.567 0.889 0.866 0.034  -0.061 -0.239 79  LEU LLL O    
4386 C CB   . LEU B 79  ? 0.529 0.823 0.741 0.060  -0.078 -0.184 79  LEU LLL CB   
4387 C CG   . LEU B 79  ? 0.551 0.833 0.721 0.074  -0.084 -0.158 79  LEU LLL CG   
4388 C CD1  . LEU B 79  ? 0.579 0.859 0.733 0.088  -0.094 -0.146 79  LEU LLL CD1  
4389 C CD2  . LEU B 79  ? 0.559 0.814 0.710 0.060  -0.068 -0.135 79  LEU LLL CD2  
4390 H H    . LEU B 79  ? 0.530 0.866 0.768 0.078  -0.101 -0.228 79  LEU LLL H    
4391 H HA   . LEU B 79  ? 0.521 0.805 0.738 0.044  -0.062 -0.190 79  LEU LLL HA   
4392 H HB2  . LEU B 79  ? 0.535 0.847 0.760 0.070  -0.089 -0.197 79  LEU LLL HB2  
4393 H HB3  . LEU B 79  ? 0.525 0.808 0.740 0.050  -0.067 -0.176 79  LEU LLL HB3  
4394 H HG   . LEU B 79  ? 0.563 0.853 0.727 0.083  -0.093 -0.165 79  LEU LLL HG   
4395 H HD11 . LEU B 79  ? 0.580 0.876 0.740 0.100  -0.106 -0.159 79  LEU LLL HD11 
4396 H HD12 . LEU B 79  ? 0.576 0.844 0.705 0.093  -0.094 -0.127 79  LEU LLL HD12 
4397 H HD13 . LEU B 79  ? 0.564 0.839 0.728 0.079  -0.087 -0.143 79  LEU LLL HD13 
4398 H HD21 . LEU B 79  ? 0.547 0.794 0.706 0.050  -0.059 -0.131 79  LEU LLL HD21 
4399 H HD22 . LEU B 79  ? 0.558 0.806 0.686 0.068  -0.071 -0.119 79  LEU LLL HD22 
4400 H HD23 . LEU B 79  ? 0.554 0.809 0.711 0.054  -0.063 -0.142 79  LEU LLL HD23 
4401 N N    . GLU B 80  ? 0.506 0.786 0.779 0.012  -0.033 -0.215 80  GLU LLL N    
4402 C CA   . GLU B 80  ? 0.490 0.761 0.790 -0.007 -0.012 -0.224 80  GLU LLL CA   
4403 C C    . GLU B 80  ? 0.541 0.789 0.817 -0.010 -0.003 -0.198 80  GLU LLL C    
4404 O O    . GLU B 80  ? 0.507 0.742 0.748 -0.002 -0.009 -0.174 80  GLU LLL O    
4405 C CB   . GLU B 80  ? 0.483 0.738 0.789 -0.021 0.007  -0.230 80  GLU LLL CB   
4406 C CG   . GLU B 80  ? 0.482 0.759 0.812 -0.019 -0.001 -0.256 80  GLU LLL CG   
4407 C CD   . GLU B 80  ? 0.495 0.800 0.878 -0.023 -0.002 -0.292 80  GLU LLL CD   
4408 O OE1  . GLU B 80  ? 0.515 0.827 0.917 -0.027 0.001  -0.298 80  GLU LLL OE1  
4409 O OE2  . GLU B 80  ? 0.515 0.837 0.921 -0.022 -0.008 -0.317 80  GLU LLL OE2  
4410 H H    . GLU B 80  ? 0.506 0.775 0.762 0.011  -0.030 -0.206 80  GLU LLL H    
4411 H HA   . GLU B 80  ? 0.500 0.790 0.828 -0.006 -0.015 -0.243 80  GLU LLL HA   
4412 H HB2  . GLU B 80  ? 0.486 0.722 0.764 -0.021 0.011  -0.211 80  GLU LLL HB2  
4413 H HB3  . GLU B 80  ? 0.488 0.734 0.810 -0.033 0.023  -0.235 80  GLU LLL HB3  
4414 H HG2  . GLU B 80  ? 0.486 0.773 0.800 -0.005 -0.018 -0.253 80  GLU LLL HG2  
4415 H HG3  . GLU B 80  ? 0.492 0.754 0.818 -0.026 0.010  -0.255 80  GLU LLL HG3  
4416 N N    . PRO B 81  ? 0.590 0.833 0.886 -0.021 0.011  -0.204 81  PRO LLL N    
4417 C CA   . PRO B 81  ? 0.592 0.818 0.868 -0.021 0.015  -0.183 81  PRO LLL CA   
4418 C C    . PRO B 81  ? 0.576 0.770 0.815 -0.025 0.026  -0.157 81  PRO LLL C    
4419 O O    . PRO B 81  ? 0.597 0.780 0.813 -0.020 0.021  -0.137 81  PRO LLL O    
4420 C CB   . PRO B 81  ? 0.637 0.867 0.946 -0.032 0.030  -0.199 81  PRO LLL CB   
4421 C CG   . PRO B 81  ? 0.664 0.900 1.005 -0.044 0.043  -0.224 81  PRO LLL CG   
4422 C CD   . PRO B 81  ? 0.627 0.880 0.966 -0.034 0.025  -0.231 81  PRO LLL CD   
4423 H HA   . PRO B 81  ? 0.590 0.827 0.859 -0.009 -0.000 -0.178 81  PRO LLL HA   
4424 H HB2  . PRO B 81  ? 0.612 0.822 0.907 -0.037 0.041  -0.186 81  PRO LLL HB2  
4425 H HB3  . PRO B 81  ? 0.622 0.870 0.944 -0.025 0.019  -0.206 81  PRO LLL HB3  
4426 H HG2  . PRO B 81  ? 0.659 0.872 0.991 -0.054 0.060  -0.217 81  PRO LLL HG2  
4427 H HG3  . PRO B 81  ? 0.651 0.901 1.022 -0.047 0.046  -0.242 81  PRO LLL HG3  
4428 H HD2  . PRO B 81  ? 0.633 0.877 0.975 -0.042 0.035  -0.236 81  PRO LLL HD2  
4429 H HD3  . PRO B 81  ? 0.625 0.903 0.987 -0.028 0.014  -0.249 81  PRO LLL HD3  
4430 N N    . GLU B 82  ? 0.566 0.745 0.801 -0.033 0.038  -0.159 82  GLU LLL N    
4431 C CA   . GLU B 82  ? 0.596 0.746 0.796 -0.034 0.046  -0.137 82  GLU LLL CA   
4432 C C    . GLU B 82  ? 0.615 0.770 0.789 -0.022 0.029  -0.122 82  GLU LLL C    
4433 O O    . GLU B 82  ? 0.631 0.766 0.779 -0.022 0.034  -0.106 82  GLU LLL O    
4434 C CB   . GLU B 82  ? 0.604 0.736 0.806 -0.045 0.065  -0.144 82  GLU LLL CB   
4435 C CG   . GLU B 82  ? 0.609 0.760 0.831 -0.045 0.059  -0.163 82  GLU LLL CG   
4436 C CD   . GLU B 82  ? 0.613 0.779 0.879 -0.055 0.068  -0.192 82  GLU LLL CD   
4437 O OE1  . GLU B 82  ? 0.640 0.826 0.928 -0.052 0.061  -0.202 82  GLU LLL OE1  
4438 O OE2  . GLU B 82  ? 0.644 0.802 0.926 -0.065 0.083  -0.206 82  GLU LLL OE2  
4439 H H    . GLU B 82  ? 0.580 0.767 0.835 -0.038 0.043  -0.174 82  GLU LLL H    
4440 H HA   . GLU B 82  ? 0.596 0.732 0.785 -0.036 0.052  -0.126 82  GLU LLL HA   
4441 H HB2  . GLU B 82  ? 0.612 0.725 0.788 -0.044 0.068  -0.129 82  GLU LLL HB2  
4442 H HB3  . GLU B 82  ? 0.616 0.739 0.830 -0.053 0.079  -0.151 82  GLU LLL HB3  
4443 H HG2  . GLU B 82  ? 0.600 0.768 0.819 -0.035 0.042  -0.162 82  GLU LLL HG2  
4444 H HG3  . GLU B 82  ? 0.616 0.752 0.825 -0.048 0.066  -0.159 82  GLU LLL HG3  
4445 N N    . ASP B 83  ? 0.590 0.771 0.771 -0.011 0.010  -0.128 83  ASP LLL N    
4446 C CA   . ASP B 83  ? 0.535 0.718 0.690 0.002  -0.003 -0.114 83  ASP LLL CA   
4447 C C    . ASP B 83  ? 0.517 0.698 0.656 0.010  -0.012 -0.095 83  ASP LLL C    
4448 O O    . ASP B 83  ? 0.511 0.690 0.629 0.018  -0.019 -0.081 83  ASP LLL O    
4449 C CB   . ASP B 83  ? 0.527 0.735 0.694 0.012  -0.018 -0.130 83  ASP LLL CB   
4450 C CG   . ASP B 83  ? 0.527 0.740 0.715 0.005  -0.012 -0.152 83  ASP LLL CG   
4451 O OD1  . ASP B 83  ? 0.516 0.709 0.702 -0.008 0.005  -0.149 83  ASP LLL OD1  
4452 O OD2  . ASP B 83  ? 0.547 0.784 0.752 0.012  -0.024 -0.172 83  ASP LLL OD2  
4453 H H    . ASP B 83  ? 0.579 0.776 0.779 -0.009 0.005  -0.141 83  ASP LLL H    
4454 H HA   . ASP B 83  ? 0.543 0.713 0.685 -0.001 0.003  -0.106 83  ASP LLL HA   
4455 H HB2  . ASP B 83  ? 0.527 0.748 0.704 0.017  -0.026 -0.137 83  ASP LLL HB2  
4456 H HB3  . ASP B 83  ? 0.529 0.736 0.676 0.020  -0.025 -0.119 83  ASP LLL HB3  
4457 N N    . PHE B 84  ? 0.501 0.683 0.652 0.007  -0.010 -0.097 84  PHE LLL N    
4458 C CA   . PHE B 84  ? 0.497 0.674 0.633 0.014  -0.016 -0.080 84  PHE LLL CA   
4459 C C    . PHE B 84  ? 0.492 0.646 0.609 0.008  -0.006 -0.062 84  PHE LLL C    
4460 O O    . PHE B 84  ? 0.508 0.647 0.627 -0.002 0.007  -0.064 84  PHE LLL O    
4461 C CB   . PHE B 84  ? 0.503 0.690 0.659 0.014  -0.019 -0.090 84  PHE LLL CB   
4462 C CG   . PHE B 84  ? 0.508 0.720 0.681 0.024  -0.032 -0.107 84  PHE LLL CG   
4463 C CD1  . PHE B 84  ? 0.512 0.732 0.670 0.041  -0.048 -0.099 84  PHE LLL CD1  
4464 C CD2  . PHE B 84  ? 0.512 0.741 0.715 0.019  -0.030 -0.132 84  PHE LLL CD2  
4465 C CE1  . PHE B 84  ? 0.528 0.770 0.697 0.054  -0.062 -0.116 84  PHE LLL CE1  
4466 C CE2  . PHE B 84  ? 0.512 0.767 0.732 0.031  -0.045 -0.151 84  PHE LLL CE2  
4467 C CZ   . PHE B 84  ? 0.534 0.794 0.734 0.049  -0.062 -0.143 84  PHE LLL CZ   
4468 H H    . PHE B 84  ? 0.505 0.690 0.673 0.001  -0.004 -0.109 84  PHE LLL H    
4469 H HA   . PHE B 84  ? 0.499 0.682 0.626 0.023  -0.026 -0.075 84  PHE LLL HA   
4470 H HB2  . PHE B 84  ? 0.502 0.684 0.670 0.005  -0.008 -0.097 84  PHE LLL HB2  
4471 H HB3  . PHE B 84  ? 0.500 0.681 0.646 0.017  -0.021 -0.078 84  PHE LLL HB3  
4472 H HD1  . PHE B 84  ? 0.514 0.723 0.655 0.043  -0.048 -0.083 84  PHE LLL HD1  
4473 H HD2  . PHE B 84  ? 0.511 0.732 0.723 0.008  -0.017 -0.137 84  PHE LLL HD2  
4474 H HE1  . PHE B 84  ? 0.533 0.777 0.689 0.066  -0.072 -0.110 84  PHE LLL HE1  
4475 H HE2  . PHE B 84  ? 0.517 0.784 0.760 0.027  -0.043 -0.170 84  PHE LLL HE2  
4476 H HZ   . PHE B 84  ? 0.533 0.811 0.742 0.059  -0.073 -0.156 84  PHE LLL HZ   
4477 N N    . ALA B 85  ? 0.462 0.611 0.558 0.014  -0.012 -0.046 85  ALA LLL N    
4478 C CA   . ALA B 85  ? 0.447 0.577 0.524 0.010  -0.005 -0.032 85  ALA LLL CA   
4479 C C    . ALA B 85  ? 0.431 0.563 0.493 0.019  -0.013 -0.017 85  ALA LLL C    
4480 O O    . ALA B 85  ? 0.451 0.597 0.515 0.028  -0.023 -0.018 85  ALA LLL O    
4481 C CB   . ALA B 85  ? 0.469 0.591 0.543 0.005  0.004  -0.038 85  ALA LLL CB   
4482 H H    . ALA B 85  ? 0.466 0.623 0.558 0.022  -0.020 -0.043 85  ALA LLL H    
4483 H HA   . ALA B 85  ? 0.449 0.570 0.526 0.007  -0.001 -0.028 85  ALA LLL HA   
4484 H HB1  . ALA B 85  ? 0.465 0.575 0.526 0.004  0.007  -0.028 85  ALA LLL HB1  
4485 H HB2  . ALA B 85  ? 0.467 0.586 0.551 -0.001 0.011  -0.046 85  ALA LLL HB2  
4486 H HB3  . ALA B 85  ? 0.465 0.596 0.540 0.008  -0.001 -0.042 85  ALA LLL HB3  
4487 N N    . VAL B 86  ? 0.415 0.535 0.465 0.018  -0.010 -0.005 86  VAL LLL N    
4488 C CA   . VAL B 86  ? 0.400 0.522 0.438 0.024  -0.014 0.008  86  VAL LLL CA   
4489 C C    . VAL B 86  ? 0.410 0.534 0.440 0.026  -0.013 0.006  86  VAL LLL C    
4490 O O    . VAL B 86  ? 0.426 0.541 0.453 0.020  -0.006 0.001  86  VAL LLL O    
4491 C CB   . VAL B 86  ? 0.409 0.520 0.442 0.022  -0.012 0.019  86  VAL LLL CB   
4492 C CG1  . VAL B 86  ? 0.399 0.513 0.426 0.027  -0.014 0.031  86  VAL LLL CG1  
4493 C CG2  . VAL B 86  ? 0.397 0.503 0.439 0.019  -0.012 0.018  86  VAL LLL CG2  
4494 H H    . VAL B 86  ? 0.416 0.526 0.463 0.013  -0.004 -0.005 86  VAL LLL H    
4495 H HA   . VAL B 86  ? 0.408 0.537 0.447 0.029  -0.019 0.009  86  VAL LLL HA   
4496 H HB   . VAL B 86  ? 0.404 0.507 0.432 0.019  -0.008 0.018  86  VAL LLL HB   
4497 H HG11 . VAL B 86  ? 0.404 0.519 0.426 0.028  -0.013 0.032  86  VAL LLL HG11 
4498 H HG12 . VAL B 86  ? 0.401 0.509 0.430 0.025  -0.013 0.036  86  VAL LLL HG12 
4499 H HG13 . VAL B 86  ? 0.405 0.525 0.433 0.032  -0.017 0.032  86  VAL LLL HG13 
4500 H HG21 . VAL B 86  ? 0.400 0.513 0.447 0.022  -0.016 0.017  86  VAL LLL HG21 
4501 H HG22 . VAL B 86  ? 0.399 0.500 0.439 0.019  -0.012 0.025  86  VAL LLL HG22 
4502 H HG23 . VAL B 86  ? 0.400 0.502 0.444 0.015  -0.008 0.012  86  VAL LLL HG23 
4503 N N    . TYR B 87  ? 0.397 0.529 0.419 0.034  -0.018 0.011  87  TYR LLL N    
4504 C CA   . TYR B 87  ? 0.412 0.548 0.425 0.038  -0.018 0.009  87  TYR LLL CA   
4505 C C    . TYR B 87  ? 0.405 0.538 0.406 0.042  -0.016 0.024  87  TYR LLL C    
4506 O O    . TYR B 87  ? 0.415 0.549 0.414 0.047  -0.018 0.033  87  TYR LLL O    
4507 C CB   . TYR B 87  ? 0.391 0.541 0.404 0.046  -0.025 -0.001 87  TYR LLL CB   
4508 C CG   . TYR B 87  ? 0.411 0.566 0.441 0.041  -0.026 -0.019 87  TYR LLL CG   
4509 C CD1  . TYR B 87  ? 0.395 0.555 0.439 0.040  -0.028 -0.025 87  TYR LLL CD1  
4510 C CD2  . TYR B 87  ? 0.411 0.565 0.445 0.036  -0.021 -0.030 87  TYR LLL CD2  
4511 C CE1  . TYR B 87  ? 0.405 0.570 0.468 0.034  -0.026 -0.043 87  TYR LLL CE1  
4512 C CE2  . TYR B 87  ? 0.398 0.556 0.451 0.029  -0.018 -0.048 87  TYR LLL CE2  
4513 C CZ   . TYR B 87  ? 0.412 0.577 0.481 0.028  -0.021 -0.054 87  TYR LLL CZ   
4514 O OH   . TYR B 87  ? 0.427 0.596 0.518 0.020  -0.016 -0.073 87  TYR LLL OH   
4515 H H    . TYR B 87  ? 0.405 0.540 0.426 0.039  -0.021 0.016  87  TYR LLL H    
4516 H HA   . TYR B 87  ? 0.402 0.533 0.416 0.033  -0.014 0.005  87  TYR LLL HA   
4517 H HB2  . TYR B 87  ? 0.406 0.559 0.417 0.052  -0.029 0.004  87  TYR LLL HB2  
4518 H HB3  . TYR B 87  ? 0.407 0.559 0.412 0.050  -0.025 -0.000 87  TYR LLL HB3  
4519 H HD1  . TYR B 87  ? 0.401 0.560 0.441 0.044  -0.031 -0.017 87  TYR LLL HD1  
4520 H HD2  . TYR B 87  ? 0.411 0.561 0.435 0.037  -0.019 -0.026 87  TYR LLL HD2  
4521 H HE1  . TYR B 87  ? 0.401 0.571 0.475 0.033  -0.028 -0.047 87  TYR LLL HE1  
4522 H HE2  . TYR B 87  ? 0.409 0.564 0.465 0.025  -0.014 -0.055 87  TYR LLL HE2  
4524 N N    . TYR B 88  ? 0.391 0.519 0.388 0.039  -0.012 0.026  88  TYR LLL N    
4525 C CA   . TYR B 88  ? 0.405 0.533 0.394 0.042  -0.009 0.037  88  TYR LLL CA   
4526 C C    . TYR B 88  ? 0.419 0.552 0.398 0.048  -0.009 0.035  88  TYR LLL C    
4527 O O    . TYR B 88  ? 0.430 0.561 0.407 0.046  -0.009 0.026  88  TYR LLL O    
4528 C CB   . TYR B 88  ? 0.413 0.532 0.405 0.037  -0.006 0.040  88  TYR LLL CB   
4529 C CG   . TYR B 88  ? 0.406 0.520 0.407 0.032  -0.006 0.042  88  TYR LLL CG   
4530 C CD1  . TYR B 88  ? 0.413 0.528 0.421 0.033  -0.006 0.050  88  TYR LLL CD1  
4531 C CD2  . TYR B 88  ? 0.417 0.522 0.420 0.028  -0.005 0.034  88  TYR LLL CD2  
4532 C CE1  . TYR B 88  ? 0.427 0.537 0.444 0.029  -0.007 0.050  88  TYR LLL CE1  
4533 C CE2  . TYR B 88  ? 0.422 0.521 0.431 0.024  -0.006 0.035  88  TYR LLL CE2  
4534 C CZ   . TYR B 88  ? 0.423 0.526 0.440 0.025  -0.008 0.043  88  TYR LLL CZ   
4535 O OH   . TYR B 88  ? 0.417 0.515 0.441 0.022  -0.009 0.043  88  TYR LLL OH   
4536 H H    . TYR B 88  ? 0.396 0.519 0.393 0.035  -0.009 0.021  88  TYR LLL H    
4537 H HA   . TYR B 88  ? 0.408 0.538 0.399 0.045  -0.010 0.044  88  TYR LLL HA   
4538 H HB2  . TYR B 88  ? 0.411 0.525 0.399 0.035  -0.004 0.034  88  TYR LLL HB2  
4539 H HB3  . TYR B 88  ? 0.411 0.532 0.401 0.039  -0.004 0.046  88  TYR LLL HB3  
4540 H HD1  . TYR B 88  ? 0.419 0.538 0.426 0.036  -0.005 0.055  88  TYR LLL HD1  
4541 H HD2  . TYR B 88  ? 0.419 0.521 0.418 0.027  -0.003 0.029  88  TYR LLL HD2  
4542 H HE1  . TYR B 88  ? 0.421 0.533 0.444 0.029  -0.007 0.056  88  TYR LLL HE1  
4543 H HE2  . TYR B 88  ? 0.422 0.514 0.430 0.022  -0.004 0.031  88  TYR LLL HE2  
4545 N N    . CYS B 89  ? 0.426 0.563 0.397 0.056  -0.008 0.044  89  CYS LLL N    
4546 C CA   . CYS B 89  ? 0.433 0.574 0.393 0.061  -0.006 0.044  89  CYS LLL CA   
4547 C C    . CYS B 89  ? 0.409 0.547 0.372 0.058  -0.000 0.051  89  CYS LLL C    
4548 O O    . CYS B 89  ? 0.397 0.532 0.370 0.053  0.002  0.056  89  CYS LLL O    
4549 C CB   . CYS B 89  ? 0.474 0.620 0.421 0.073  -0.007 0.049  89  CYS LLL CB   
4550 S SG   . CYS B 89  ? 0.521 0.661 0.467 0.075  0.000  0.066  89  CYS LLL SG   
4551 H H    . CYS B 89  ? 0.429 0.566 0.400 0.058  -0.007 0.050  89  CYS LLL H    
4552 H HA   . CYS B 89  ? 0.434 0.575 0.393 0.060  -0.008 0.035  89  CYS LLL HA   
4553 H HB2  . CYS B 89  ? 0.482 0.630 0.421 0.077  -0.005 0.049  89  CYS LLL HB2  
4554 H HB3  . CYS B 89  ? 0.480 0.629 0.425 0.077  -0.012 0.043  89  CYS LLL HB3  
4555 N N    . GLN B 90  ? 0.385 0.525 0.341 0.061  0.002  0.048  90  GLN LLL N    
4556 C CA   . GLN B 90  ? 0.395 0.535 0.354 0.059  0.006  0.052  90  GLN LLL CA   
4557 C C    . GLN B 90  ? 0.415 0.559 0.362 0.066  0.008  0.052  90  GLN LLL C    
4558 O O    . GLN B 90  ? 0.430 0.575 0.369 0.069  0.005  0.044  90  GLN LLL O    
4559 C CB   . GLN B 90  ? 0.392 0.523 0.354 0.054  0.004  0.046  90  GLN LLL CB   
4560 C CG   . GLN B 90  ? 0.387 0.519 0.354 0.055  0.006  0.048  90  GLN LLL CG   
4561 C CD   . GLN B 90  ? 0.397 0.520 0.356 0.056  0.004  0.041  90  GLN LLL CD   
4562 O OE1  . GLN B 90  ? 0.421 0.535 0.369 0.056  0.004  0.035  90  GLN LLL OE1  
4563 N NE2  . GLN B 90  ? 0.393 0.516 0.355 0.059  0.004  0.040  90  GLN LLL NE2  
4564 H H    . GLN B 90  ? 0.399 0.541 0.348 0.064  -0.000 0.043  90  GLN LLL H    
4565 H HA   . GLN B 90  ? 0.394 0.536 0.360 0.058  0.009  0.059  90  GLN LLL HA   
4566 H HB2  . GLN B 90  ? 0.386 0.514 0.354 0.050  0.003  0.045  90  GLN LLL HB2  
4567 H HB3  . GLN B 90  ? 0.394 0.522 0.349 0.055  0.003  0.040  90  GLN LLL HB3  
4568 H HG2  . GLN B 90  ? 0.392 0.531 0.360 0.058  0.009  0.051  90  GLN LLL HG2  
4569 H HG3  . GLN B 90  ? 0.385 0.517 0.361 0.052  0.006  0.050  90  GLN LLL HG3  
4572 N N    . GLN B 91  ? 0.420 0.569 0.370 0.069  0.015  0.060  91  GLN LLL N    
4573 C CA   . GLN B 91  ? 0.427 0.581 0.368 0.076  0.018  0.059  91  GLN LLL CA   
4574 C C    . GLN B 91  ? 0.431 0.585 0.379 0.073  0.017  0.054  91  GLN LLL C    
4575 O O    . GLN B 91  ? 0.426 0.580 0.388 0.068  0.018  0.056  91  GLN LLL O    
4576 C CB   . GLN B 91  ? 0.426 0.586 0.366 0.081  0.027  0.070  91  GLN LLL CB   
4577 C CG   . GLN B 91  ? 0.424 0.586 0.383 0.075  0.035  0.076  91  GLN LLL CG   
4578 C CD   . GLN B 91  ? 0.413 0.584 0.382 0.075  0.038  0.072  91  GLN LLL CD   
4579 O OE1  . GLN B 91  ? 0.436 0.608 0.393 0.081  0.037  0.068  91  GLN LLL OE1  
4580 N NE2  . GLN B 91  ? 0.394 0.569 0.385 0.070  0.042  0.072  91  GLN LLL NE2  
4581 H H    . GLN B 91  ? 0.417 0.567 0.376 0.067  0.018  0.065  91  GLN LLL H    
4582 H HA   . GLN B 91  ? 0.431 0.585 0.362 0.079  0.015  0.054  91  GLN LLL HA   
4583 H HB2  . GLN B 91  ? 0.436 0.599 0.367 0.086  0.029  0.069  91  GLN LLL HB2  
4584 H HB3  . GLN B 91  ? 0.436 0.593 0.368 0.083  0.027  0.073  91  GLN LLL HB3  
4585 H HG2  . GLN B 91  ? 0.430 0.592 0.388 0.077  0.042  0.083  91  GLN LLL HG2  
4586 H HG3  . GLN B 91  ? 0.413 0.573 0.382 0.069  0.031  0.074  91  GLN LLL HG3  
4589 N N    . TYR B 92  ? 0.443 0.595 0.380 0.077  0.015  0.048  92  TYR LLL N    
4590 C CA   . TYR B 92  ? 0.456 0.604 0.394 0.077  0.013  0.042  92  TYR LLL CA   
4591 C C    . TYR B 92  ? 0.487 0.641 0.420 0.084  0.017  0.041  92  TYR LLL C    
4592 O O    . TYR B 92  ? 0.485 0.633 0.411 0.088  0.014  0.035  92  TYR LLL O    
4593 C CB   . TYR B 92  ? 0.452 0.585 0.381 0.075  0.009  0.034  92  TYR LLL CB   
4594 C CG   . TYR B 92  ? 0.450 0.580 0.367 0.077  0.008  0.028  92  TYR LLL CG   
4595 C CD1  . TYR B 92  ? 0.442 0.574 0.360 0.074  0.006  0.026  92  TYR LLL CD1  
4596 C CD2  . TYR B 92  ? 0.452 0.577 0.358 0.081  0.009  0.022  92  TYR LLL CD2  
4597 C CE1  . TYR B 92  ? 0.443 0.575 0.355 0.076  0.004  0.017  92  TYR LLL CE1  
4598 C CE2  . TYR B 92  ? 0.461 0.584 0.360 0.083  0.008  0.014  92  TYR LLL CE2  
4599 C CZ   . TYR B 92  ? 0.486 0.613 0.388 0.080  0.005  0.011  92  TYR LLL CZ   
4600 O OH   . TYR B 92  ? 0.510 0.637 0.408 0.082  0.002  -0.001 92  TYR LLL OH   
4601 H H    . TYR B 92  ? 0.451 0.604 0.379 0.081  0.015  0.046  92  TYR LLL H    
4602 H HA   . TYR B 92  ? 0.451 0.600 0.400 0.075  0.013  0.044  92  TYR LLL HA   
4603 H HB2  . TYR B 92  ? 0.454 0.581 0.380 0.076  0.008  0.031  92  TYR LLL HB2  
4604 H HB3  . TYR B 92  ? 0.446 0.576 0.380 0.070  0.008  0.035  92  TYR LLL HB3  
4605 H HD1  . TYR B 92  ? 0.438 0.572 0.362 0.072  0.006  0.030  92  TYR LLL HD1  
4606 H HD2  . TYR B 92  ? 0.456 0.580 0.361 0.084  0.010  0.023  92  TYR LLL HD2  
4607 H HE1  . TYR B 92  ? 0.453 0.587 0.366 0.076  0.001  0.014  92  TYR LLL HE1  
4608 H HE2  . TYR B 92  ? 0.474 0.593 0.365 0.086  0.008  0.010  92  TYR LLL HE2  
4610 N N    . VAL B 93  ? 0.500 0.665 0.435 0.088  0.023  0.048  93  VAL LLL N    
4611 C CA   . VAL B 93  ? 0.506 0.679 0.437 0.095  0.028  0.048  93  VAL LLL CA   
4612 C C    . VAL B 93  ? 0.498 0.683 0.450 0.093  0.035  0.052  93  VAL LLL C    
4613 O O    . VAL B 93  ? 0.502 0.694 0.458 0.098  0.037  0.048  93  VAL LLL O    
4614 C CB   . VAL B 93  ? 0.538 0.714 0.453 0.102  0.032  0.051  93  VAL LLL CB   
4615 C CG1  . VAL B 93  ? 0.551 0.729 0.467 0.101  0.038  0.062  93  VAL LLL CG1  
4616 C CG2  . VAL B 93  ? 0.570 0.753 0.479 0.110  0.038  0.051  93  VAL LLL CG2  
4617 H H    . VAL B 93  ? 0.497 0.664 0.435 0.086  0.026  0.053  93  VAL LLL H    
4618 H HA   . VAL B 93  ? 0.510 0.680 0.436 0.097  0.025  0.042  93  VAL LLL HA   
4619 H HB   . VAL B 93  ? 0.541 0.712 0.446 0.103  0.026  0.046  93  VAL LLL HB   
4620 H HG11 . VAL B 93  ? 0.543 0.716 0.462 0.097  0.034  0.061  93  VAL LLL HG11 
4621 H HG12 . VAL B 93  ? 0.560 0.737 0.462 0.108  0.040  0.063  93  VAL LLL HG12 
4622 H HG13 . VAL B 93  ? 0.548 0.730 0.476 0.099  0.046  0.066  93  VAL LLL HG13 
4623 H HG21 . VAL B 93  ? 0.564 0.754 0.482 0.109  0.046  0.057  93  VAL LLL HG21 
4624 H HG22 . VAL B 93  ? 0.572 0.754 0.467 0.115  0.037  0.050  93  VAL LLL HG22 
4625 H HG23 . VAL B 93  ? 0.559 0.742 0.471 0.110  0.035  0.045  93  VAL LLL HG23 
4626 N N    . ASN B 94  ? 0.505 0.692 0.471 0.088  0.040  0.059  94  ASN LLL N    
4627 C CA   . ASN B 94  ? 0.501 0.700 0.491 0.085  0.050  0.062  94  ASN LLL CA   
4628 C C    . ASN B 94  ? 0.506 0.707 0.518 0.078  0.044  0.056  94  ASN LLL C    
4629 O O    . ASN B 94  ? 0.462 0.653 0.472 0.074  0.038  0.057  94  ASN LLL O    
4630 C CB   . ASN B 94  ? 0.534 0.731 0.521 0.085  0.063  0.073  94  ASN LLL CB   
4631 C CG   . ASN B 94  ? 0.567 0.774 0.579 0.081  0.078  0.077  94  ASN LLL CG   
4632 O OD1  . ASN B 94  ? 0.592 0.802 0.629 0.073  0.079  0.075  94  ASN LLL OD1  
4633 N ND2  . ASN B 94  ? 0.573 0.784 0.579 0.086  0.092  0.082  94  ASN LLL ND2  
4634 H H    . ASN B 94  ? 0.500 0.682 0.463 0.085  0.039  0.061  94  ASN LLL H    
4635 H HA   . ASN B 94  ? 0.512 0.718 0.504 0.089  0.053  0.058  94  ASN LLL HA   
4636 H HB2  . ASN B 94  ? 0.545 0.741 0.515 0.091  0.065  0.075  94  ASN LLL HB2  
4637 H HB3  . ASN B 94  ? 0.533 0.724 0.518 0.082  0.061  0.076  94  ASN LLL HB3  
4640 N N    . THR B 95  ? 0.504 0.717 0.538 0.079  0.044  0.049  95  THR LLL N    
4641 C CA   . THR B 95  ? 0.489 0.706 0.545 0.075  0.037  0.041  95  THR LLL CA   
4642 C C    . THR B 95  ? 0.475 0.698 0.557 0.066  0.047  0.046  95  THR LLL C    
4643 O O    . THR B 95  ? 0.533 0.765 0.629 0.065  0.061  0.050  95  THR LLL O    
4644 C CB   . THR B 95  ? 0.508 0.737 0.576 0.081  0.032  0.029  95  THR LLL CB   
4645 O OG1  . THR B 95  ? 0.533 0.750 0.574 0.089  0.022  0.026  95  THR LLL OG1  
4646 C CG2  . THR B 95  ? 0.493 0.730 0.589 0.079  0.025  0.019  95  THR LLL CG2  
4647 H H    . THR B 95  ? 0.506 0.727 0.543 0.082  0.048  0.047  95  THR LLL H    
4648 H HA   . THR B 95  ? 0.488 0.695 0.533 0.074  0.029  0.041  95  THR LLL HA   
4649 H HB   . THR B 95  ? 0.510 0.749 0.587 0.083  0.040  0.030  95  THR LLL HB   
4651 H HG21 . THR B 95  ? 0.493 0.742 0.613 0.074  0.032  0.020  95  THR LLL HG21 
4652 H HG22 . THR B 95  ? 0.497 0.738 0.594 0.086  0.017  0.011  95  THR LLL HG22 
4653 H HG23 . THR B 95  ? 0.492 0.719 0.581 0.077  0.019  0.021  95  THR LLL HG23 
4654 N N    . PRO B 96  ? 0.443 0.659 0.533 0.060  0.043  0.047  96  PRO LLL N    
4655 C CA   . PRO B 96  ? 0.444 0.648 0.518 0.061  0.029  0.043  96  PRO LLL CA   
4656 C C    . PRO B 96  ? 0.438 0.626 0.483 0.061  0.028  0.052  96  PRO LLL C    
4657 O O    . PRO B 96  ? 0.405 0.592 0.447 0.059  0.037  0.061  96  PRO LLL O    
4658 C CB   . PRO B 96  ? 0.438 0.644 0.537 0.054  0.027  0.040  96  PRO LLL CB   
4659 C CG   . PRO B 96  ? 0.442 0.651 0.555 0.047  0.043  0.050  96  PRO LLL CG   
4660 C CD   . PRO B 96  ? 0.443 0.662 0.557 0.051  0.053  0.052  96  PRO LLL CD   
4661 H HA   . PRO B 96  ? 0.441 0.646 0.510 0.066  0.022  0.036  96  PRO LLL HA   
4662 H HB2  . PRO B 96  ? 0.435 0.632 0.524 0.053  0.021  0.041  96  PRO LLL HB2  
4663 H HB3  . PRO B 96  ? 0.436 0.651 0.551 0.056  0.023  0.032  96  PRO LLL HB3  
4664 H HG2  . PRO B 96  ? 0.444 0.642 0.540 0.047  0.045  0.058  96  PRO LLL HG2  
4665 H HG3  . PRO B 96  ? 0.438 0.651 0.573 0.042  0.045  0.048  96  PRO LLL HG3  
4666 H HD2  . PRO B 96  ? 0.453 0.667 0.560 0.050  0.063  0.061  96  PRO LLL HD2  
4667 H HD3  . PRO B 96  ? 0.443 0.674 0.582 0.049  0.057  0.045  96  PRO LLL HD3  
4668 N N    . GLU B 97  ? 0.443 0.620 0.468 0.064  0.019  0.047  97  GLU LLL N    
4669 C CA   . GLU B 97  ? 0.461 0.627 0.463 0.064  0.017  0.051  97  GLU LLL CA   
4670 C C    . GLU B 97  ? 0.458 0.617 0.463 0.058  0.016  0.055  97  GLU LLL C    
4671 O O    . GLU B 97  ? 0.469 0.618 0.467 0.057  0.010  0.050  97  GLU LLL O    
4672 C CB   . GLU B 97  ? 0.484 0.639 0.468 0.069  0.010  0.043  97  GLU LLL CB   
4673 C CG   . GLU B 97  ? 0.517 0.679 0.499 0.076  0.011  0.039  97  GLU LLL CG   
4674 C CD   . GLU B 97  ? 0.545 0.693 0.503 0.082  0.007  0.034  97  GLU LLL CD   
4675 O OE1  . GLU B 97  ? 0.524 0.659 0.470 0.079  0.006  0.033  97  GLU LLL OE1  
4676 O OE2  . GLU B 97  ? 0.570 0.723 0.525 0.089  0.007  0.030  97  GLU LLL OE2  
4677 H H    . GLU B 97  ? 0.444 0.621 0.471 0.067  0.013  0.041  97  GLU LLL H    
4678 H HA   . GLU B 97  ? 0.467 0.636 0.463 0.067  0.022  0.054  97  GLU LLL HA   
4679 H HB2  . GLU B 97  ? 0.483 0.633 0.470 0.068  0.006  0.040  97  GLU LLL HB2  
4680 H HB3  . GLU B 97  ? 0.488 0.636 0.460 0.068  0.010  0.044  97  GLU LLL HB3  
4681 H HG2  . GLU B 97  ? 0.516 0.685 0.500 0.077  0.017  0.043  97  GLU LLL HG2  
4682 H HG3  . GLU B 97  ? 0.513 0.679 0.506 0.078  0.009  0.035  97  GLU LLL HG3  
4683 N N    . THR B 98  ? 0.416 0.579 0.428 0.056  0.023  0.063  98  THR LLL N    
4684 C CA   . THR B 98  ? 0.423 0.580 0.442 0.050  0.024  0.067  98  THR LLL CA   
4685 C C    . THR B 98  ? 0.416 0.565 0.418 0.051  0.018  0.067  98  THR LLL C    
4686 O O    . THR B 98  ? 0.421 0.569 0.407 0.056  0.018  0.067  98  THR LLL O    
4687 C CB   . THR B 98  ? 0.442 0.604 0.472 0.049  0.036  0.077  98  THR LLL CB   
4688 O OG1  . THR B 98  ? 0.448 0.611 0.461 0.056  0.042  0.081  98  THR LLL OG1  
4689 C CG2  . THR B 98  ? 0.450 0.621 0.507 0.045  0.041  0.074  98  THR LLL CG2  
4690 H H    . THR B 98  ? 0.434 0.601 0.445 0.058  0.029  0.066  98  THR LLL H    
4691 H HA   . THR B 98  ? 0.416 0.574 0.446 0.047  0.020  0.063  98  THR LLL HA   
4692 H HB   . THR B 98  ? 0.443 0.599 0.471 0.048  0.036  0.081  98  THR LLL HB   
4694 H HG21 . THR B 98  ? 0.439 0.609 0.506 0.042  0.035  0.069  98  THR LLL HG21 
4695 H HG22 . THR B 98  ? 0.453 0.624 0.518 0.043  0.050  0.080  98  THR LLL HG22 
4696 H HG23 . THR B 98  ? 0.447 0.624 0.505 0.048  0.042  0.070  98  THR LLL HG23 
4697 N N    . PHE B 99  ? 0.404 0.547 0.413 0.046  0.015  0.066  99  PHE LLL N    
4698 C CA   . PHE B 99  ? 0.416 0.553 0.417 0.045  0.010  0.066  99  PHE LLL CA   
4699 C C    . PHE B 99  ? 0.415 0.551 0.419 0.046  0.014  0.074  99  PHE LLL C    
4700 O O    . PHE B 99  ? 0.435 0.572 0.452 0.043  0.020  0.079  99  PHE LLL O    
4701 C CB   . PHE B 99  ? 0.420 0.549 0.426 0.041  0.005  0.059  99  PHE LLL CB   
4702 C CG   . PHE B 99  ? 0.412 0.536 0.409 0.042  0.001  0.052  99  PHE LLL CG   
4703 C CD1  . PHE B 99  ? 0.422 0.546 0.422 0.044  0.000  0.049  99  PHE LLL CD1  
4704 C CD2  . PHE B 99  ? 0.422 0.538 0.407 0.041  0.000  0.046  99  PHE LLL CD2  
4705 C CE1  . PHE B 99  ? 0.427 0.541 0.413 0.047  -0.002 0.042  99  PHE LLL CE1  
4706 C CE2  . PHE B 99  ? 0.402 0.509 0.377 0.042  0.000  0.040  99  PHE LLL CE2  
4707 C CZ   . PHE B 99  ? 0.423 0.527 0.396 0.046  -0.001 0.039  99  PHE LLL CZ   
4708 H H    . PHE B 99  ? 0.404 0.549 0.426 0.043  0.014  0.065  99  PHE LLL H    
4709 H HA   . PHE B 99  ? 0.418 0.554 0.407 0.048  0.009  0.063  99  PHE LLL HA   
4710 H HB2  . PHE B 99  ? 0.412 0.543 0.430 0.038  0.005  0.061  99  PHE LLL HB2  
4711 H HB3  . PHE B 99  ? 0.415 0.541 0.419 0.039  0.003  0.059  99  PHE LLL HB3  
4712 H HD1  . PHE B 99  ? 0.417 0.548 0.429 0.043  0.001  0.050  99  PHE LLL HD1  
4713 H HD2  . PHE B 99  ? 0.414 0.533 0.399 0.041  -0.000 0.046  99  PHE LLL HD2  
4714 H HE1  . PHE B 99  ? 0.427 0.541 0.414 0.050  -0.004 0.040  99  PHE LLL HE1  
4715 H HE2  . PHE B 99  ? 0.416 0.517 0.385 0.041  0.001  0.036  99  PHE LLL HE2  
4716 H HZ   . PHE B 99  ? 0.428 0.522 0.390 0.048  -0.001 0.035  99  PHE LLL HZ   
4717 N N    . GLY B 100 ? 0.447 0.581 0.440 0.050  0.011  0.074  100 GLY LLL N    
4718 C CA   . GLY B 100 ? 0.465 0.594 0.458 0.051  0.013  0.081  100 GLY LLL CA   
4719 C C    . GLY B 100 ? 0.444 0.569 0.451 0.044  0.009  0.078  100 GLY LLL C    
4720 O O    . GLY B 100 ? 0.397 0.521 0.410 0.039  0.005  0.071  100 GLY LLL O    
4721 H H    . GLY B 100 ? 0.444 0.579 0.428 0.052  0.008  0.070  100 GLY LLL H    
4722 H HA2  . GLY B 100 ? 0.467 0.596 0.462 0.052  0.020  0.088  100 GLY LLL HA2  
4723 H HA3  . GLY B 100 ? 0.466 0.595 0.448 0.056  0.010  0.080  100 GLY LLL HA3  
4724 N N    . GLN B 101 ? 0.458 0.578 0.467 0.045  0.011  0.084  101 GLN LLL N    
4725 C CA   . GLN B 101 ? 0.520 0.635 0.542 0.039  0.008  0.082  101 GLN LLL CA   
4726 C C    . GLN B 101 ? 0.487 0.602 0.505 0.039  -0.001 0.074  101 GLN LLL C    
4727 O O    . GLN B 101 ? 0.495 0.606 0.522 0.035  -0.003 0.071  101 GLN LLL O    
4728 C CB   . GLN B 101 ? 0.574 0.682 0.602 0.039  0.014  0.092  101 GLN LLL CB   
4729 C CG   . GLN B 101 ? 0.701 0.809 0.740 0.036  0.025  0.098  101 GLN LLL CG   
4730 C CD   . GLN B 101 ? 0.757 0.868 0.820 0.027  0.024  0.092  101 GLN LLL CD   
4731 O OE1  . GLN B 101 ? 0.831 0.947 0.897 0.025  0.016  0.083  101 GLN LLL OE1  
4732 N NE2  . GLN B 101 ? 0.756 0.862 0.836 0.023  0.032  0.097  101 GLN LLL NE2  
4733 H H    . GLN B 101 ? 0.483 0.600 0.485 0.050  0.014  0.090  101 GLN LLL H    
4734 H HA   . GLN B 101 ? 0.500 0.617 0.532 0.034  0.007  0.079  101 GLN LLL HA   
4735 H HB2  . GLN B 101 ? 0.600 0.705 0.616 0.046  0.014  0.096  101 GLN LLL HB2  
4736 H HB3  . GLN B 101 ? 0.584 0.689 0.621 0.036  0.011  0.090  101 GLN LLL HB3  
4737 H HG2  . GLN B 101 ? 0.685 0.798 0.718 0.038  0.027  0.098  101 GLN LLL HG2  
4738 H HG3  . GLN B 101 ? 0.697 0.798 0.734 0.038  0.032  0.106  101 GLN LLL HG3  
4741 N N    . GLY B 102 ? 0.466 0.585 0.472 0.045  -0.004 0.070  102 GLY LLL N    
4742 C CA   . GLY B 102 ? 0.481 0.603 0.488 0.044  -0.011 0.059  102 GLY LLL CA   
4743 C C    . GLY B 102 ? 0.480 0.603 0.483 0.052  -0.015 0.059  102 GLY LLL C    
4744 O O    . GLY B 102 ? 0.521 0.638 0.524 0.055  -0.013 0.068  102 GLY LLL O    
4745 H H    . GLY B 102 ? 0.483 0.605 0.480 0.050  -0.002 0.072  102 GLY LLL H    
4746 H HA2  . GLY B 102 ? 0.473 0.598 0.476 0.045  -0.012 0.053  102 GLY LLL HA2  
4747 H HA3  . GLY B 102 ? 0.467 0.585 0.481 0.038  -0.011 0.056  102 GLY LLL HA3  
4748 N N    . THR B 103 ? 0.459 0.589 0.460 0.056  -0.021 0.048  103 THR LLL N    
4749 C CA   . THR B 103 ? 0.484 0.618 0.485 0.063  -0.028 0.042  103 THR LLL CA   
4750 C C    . THR B 103 ? 0.473 0.611 0.491 0.054  -0.030 0.030  103 THR LLL C    
4751 O O    . THR B 103 ? 0.443 0.583 0.465 0.048  -0.029 0.020  103 THR LLL O    
4752 C CB   . THR B 103 ? 0.488 0.632 0.477 0.076  -0.035 0.036  103 THR LLL CB   
4753 O OG1  . THR B 103 ? 0.528 0.665 0.498 0.084  -0.030 0.049  103 THR LLL OG1  
4754 C CG2  . THR B 103 ? 0.511 0.662 0.501 0.085  -0.044 0.026  103 THR LLL CG2  
4755 H H    . THR B 103 ? 0.466 0.599 0.466 0.054  -0.022 0.042  103 THR LLL H    
4756 H HA   . THR B 103 ? 0.485 0.614 0.484 0.066  -0.027 0.050  103 THR LLL HA   
4757 H HB   . THR B 103 ? 0.492 0.640 0.484 0.072  -0.035 0.028  103 THR LLL HB   
4759 H HG21 . THR B 103 ? 0.498 0.657 0.501 0.081  -0.047 0.014  103 THR LLL HG21 
4760 H HG22 . THR B 103 ? 0.520 0.673 0.497 0.097  -0.048 0.027  103 THR LLL HG22 
4761 H HG23 . THR B 103 ? 0.507 0.652 0.500 0.085  -0.044 0.032  103 THR LLL HG23 
4762 N N    . ARG B 104 ? 0.488 0.624 0.514 0.054  -0.033 0.030  104 ARG LLL N    
4763 C CA   . ARG B 104 ? 0.514 0.652 0.555 0.047  -0.034 0.018  104 ARG LLL CA   
4764 C C    . ARG B 104 ? 0.483 0.635 0.530 0.056  -0.042 0.004  104 ARG LLL C    
4765 O O    . ARG B 104 ? 0.477 0.631 0.516 0.068  -0.048 0.008  104 ARG LLL O    
4766 C CB   . ARG B 104 ? 0.574 0.703 0.621 0.044  -0.032 0.024  104 ARG LLL CB   
4767 C CG   . ARG B 104 ? 0.626 0.756 0.688 0.036  -0.030 0.013  104 ARG LLL CG   
4768 C CD   . ARG B 104 ? 0.648 0.765 0.711 0.029  -0.026 0.019  104 ARG LLL CD   
4769 N NE   . ARG B 104 ? 0.756 0.875 0.831 0.026  -0.026 0.009  104 ARG LLL NE   
4770 C CZ   . ARG B 104 ? 0.747 0.871 0.829 0.032  -0.031 0.007  104 ARG LLL CZ   
4771 N NH1  . ARG B 104 ? 0.736 0.860 0.811 0.041  -0.037 0.015  104 ARG LLL NH1  
4772 N NH2  . ARG B 104 ? 0.692 0.818 0.787 0.028  -0.030 -0.004 104 ARG LLL NH2  
4773 H H    . ARG B 104 ? 0.498 0.629 0.519 0.058  -0.033 0.038  104 ARG LLL H    
4774 H HA   . ARG B 104 ? 0.505 0.642 0.549 0.041  -0.030 0.013  104 ARG LLL HA   
4775 H HB2  . ARG B 104 ? 0.570 0.693 0.614 0.041  -0.028 0.032  104 ARG LLL HB2  
4776 H HB3  . ARG B 104 ? 0.578 0.709 0.623 0.051  -0.036 0.027  104 ARG LLL HB3  
4777 H HG2  . ARG B 104 ? 0.621 0.757 0.688 0.040  -0.035 0.006  104 ARG LLL HG2  
4778 H HG3  . ARG B 104 ? 0.614 0.746 0.677 0.032  -0.027 0.006  104 ARG LLL HG3  
4779 H HD2  . ARG B 104 ? 0.663 0.775 0.723 0.024  -0.022 0.020  104 ARG LLL HD2  
4780 H HD3  . ARG B 104 ? 0.669 0.782 0.729 0.032  -0.027 0.028  104 ARG LLL HD3  
4781 H HE   . ARG B 104 ? 0.723 0.839 0.800 0.021  -0.021 0.004  104 ARG LLL HE   
4782 H HH11 . ARG B 104 ? 0.742 0.865 0.809 0.043  -0.037 0.022  104 ARG LLL HH11 
4783 H HH12 . ARG B 104 ? 0.743 0.869 0.821 0.046  -0.041 0.013  104 ARG LLL HH12 
4784 H HH21 . ARG B 104 ? 0.705 0.828 0.803 0.022  -0.024 -0.008 104 ARG LLL HH21 
4785 H HH22 . ARG B 104 ? 0.707 0.837 0.806 0.032  -0.034 -0.006 104 ARG LLL HH22 
4786 N N    . VAL B 105 ? 0.462 0.623 0.522 0.051  -0.042 -0.012 105 VAL LLL N    
4787 C CA   . VAL B 105 ? 0.483 0.661 0.555 0.057  -0.050 -0.030 105 VAL LLL CA   
4788 C C    . VAL B 105 ? 0.458 0.637 0.551 0.049  -0.047 -0.040 105 VAL LLL C    
4789 O O    . VAL B 105 ? 0.448 0.621 0.549 0.036  -0.037 -0.044 105 VAL LLL O    
4790 C CB   . VAL B 105 ? 0.485 0.673 0.561 0.057  -0.051 -0.044 105 VAL LLL CB   
4791 C CG1  . VAL B 105 ? 0.509 0.718 0.604 0.063  -0.060 -0.066 105 VAL LLL CG1  
4792 C CG2  . VAL B 105 ? 0.495 0.681 0.549 0.067  -0.054 -0.033 105 VAL LLL CG2  
4793 H H    . VAL B 105 ? 0.465 0.622 0.527 0.043  -0.036 -0.014 105 VAL LLL H    
4794 H HA   . VAL B 105 ? 0.485 0.666 0.549 0.068  -0.057 -0.027 105 VAL LLL HA   
4795 H HB   . VAL B 105 ? 0.483 0.665 0.565 0.047  -0.043 -0.046 105 VAL LLL HB   
4796 H HG11 . VAL B 105 ? 0.496 0.707 0.609 0.054  -0.055 -0.076 105 VAL LLL HG11 
4797 H HG12 . VAL B 105 ? 0.508 0.723 0.600 0.068  -0.064 -0.073 105 VAL LLL HG12 
4798 H HG13 . VAL B 105 ? 0.508 0.720 0.600 0.073  -0.067 -0.065 105 VAL LLL HG13 
4799 H HG21 . VAL B 105 ? 0.504 0.692 0.548 0.078  -0.060 -0.030 105 VAL LLL HG21 
4800 H HG22 . VAL B 105 ? 0.497 0.689 0.553 0.067  -0.055 -0.043 105 VAL LLL HG22 
4801 H HG23 . VAL B 105 ? 0.492 0.666 0.537 0.061  -0.047 -0.021 105 VAL LLL HG23 
4802 N N    . GLU B 106 ? 0.479 0.664 0.577 0.056  -0.054 -0.043 106 GLU LLL N    
4803 C CA   . GLU B 106 ? 0.512 0.698 0.629 0.050  -0.051 -0.051 106 GLU LLL CA   
4804 C C    . GLU B 106 ? 0.519 0.726 0.655 0.058  -0.060 -0.072 106 GLU LLL C    
4805 O O    . GLU B 106 ? 0.525 0.744 0.654 0.072  -0.072 -0.076 106 GLU LLL O    
4806 C CB   . GLU B 106 ? 0.536 0.707 0.642 0.051  -0.050 -0.034 106 GLU LLL CB   
4807 C CG   . GLU B 106 ? 0.564 0.736 0.658 0.067  -0.061 -0.026 106 GLU LLL CG   
4808 C CD   . GLU B 106 ? 0.591 0.764 0.695 0.071  -0.065 -0.030 106 GLU LLL CD   
4809 O OE1  . GLU B 106 ? 0.604 0.783 0.702 0.086  -0.075 -0.032 106 GLU LLL OE1  
4810 O OE2  . GLU B 106 ? 0.629 0.795 0.742 0.060  -0.058 -0.030 106 GLU LLL OE2  
4811 H H    . GLU B 106 ? 0.492 0.680 0.582 0.067  -0.061 -0.040 106 GLU LLL H    
4812 H HA   . GLU B 106 ? 0.503 0.685 0.627 0.039  -0.042 -0.054 106 GLU LLL HA   
4813 H HB2  . GLU B 106 ? 0.530 0.700 0.647 0.046  -0.047 -0.038 106 GLU LLL HB2  
4814 H HB3  . GLU B 106 ? 0.532 0.692 0.628 0.046  -0.045 -0.023 106 GLU LLL HB3  
4815 H HG2  . GLU B 106 ? 0.570 0.730 0.649 0.068  -0.058 -0.012 106 GLU LLL HG2  
4816 H HG3  . GLU B 106 ? 0.573 0.755 0.665 0.075  -0.067 -0.033 106 GLU LLL HG3  
4817 N N    . ILE B 107 ? 0.516 0.730 0.677 0.049  -0.055 -0.086 107 ILE LLL N    
4818 C CA   . ILE B 107 ? 0.513 0.751 0.700 0.055  -0.064 -0.111 107 ILE LLL CA   
4819 C C    . ILE B 107 ? 0.499 0.741 0.679 0.071  -0.076 -0.107 107 ILE LLL C    
4820 O O    . ILE B 107 ? 0.486 0.714 0.661 0.068  -0.072 -0.095 107 ILE LLL O    
4821 C CB   . ILE B 107 ? 0.549 0.793 0.768 0.041  -0.051 -0.128 107 ILE LLL CB   
4822 C CG1  . ILE B 107 ? 0.592 0.828 0.815 0.025  -0.036 -0.131 107 ILE LLL CG1  
4823 C CG2  . ILE B 107 ? 0.570 0.842 0.820 0.048  -0.061 -0.155 107 ILE LLL CG2  
4824 C CD1  . ILE B 107 ? 0.617 0.826 0.825 0.013  -0.020 -0.114 107 ILE LLL CD1  
4825 H H    . ILE B 107 ? 0.509 0.713 0.673 0.039  -0.046 -0.083 107 ILE LLL H    
4826 H HA   . ILE B 107 ? 0.522 0.770 0.710 0.061  -0.069 -0.119 107 ILE LLL HA   
4827 H HB   . ILE B 107 ? 0.550 0.783 0.766 0.037  -0.046 -0.120 107 ILE LLL HB   
4828 H HG12 . ILE B 107 ? 0.587 0.834 0.834 0.020  -0.032 -0.149 107 ILE LLL HG12 
4829 H HG13 . ILE B 107 ? 0.589 0.826 0.801 0.030  -0.041 -0.129 107 ILE LLL HG13 
4830 H HG21 . ILE B 107 ? 0.566 0.840 0.815 0.055  -0.067 -0.153 107 ILE LLL HG21 
4831 H HG22 . ILE B 107 ? 0.561 0.838 0.833 0.037  -0.051 -0.168 107 ILE LLL HG22 
4832 H HG23 . ILE B 107 ? 0.569 0.852 0.817 0.057  -0.071 -0.162 107 ILE LLL HG23 
4833 H HD11 . ILE B 107 ? 0.608 0.807 0.794 0.017  -0.023 -0.099 107 ILE LLL HD11 
4834 H HD12 . ILE B 107 ? 0.610 0.813 0.824 0.004  -0.009 -0.120 107 ILE LLL HD12 
4835 H HD13 . ILE B 107 ? 0.607 0.813 0.819 0.012  -0.017 -0.113 107 ILE LLL HD13 
4836 N N    . LYS B 108 ? 0.513 0.771 0.692 0.089  -0.092 -0.117 108 LYS LLL N    
4837 C CA   . LYS B 108 ? 0.552 0.816 0.726 0.108  -0.107 -0.120 108 LYS LLL CA   
4838 C C    . LYS B 108 ? 0.512 0.796 0.722 0.104  -0.108 -0.143 108 LYS LLL C    
4839 O O    . LYS B 108 ? 0.559 0.865 0.798 0.100  -0.108 -0.167 108 LYS LLL O    
4840 C CB   . LYS B 108 ? 0.582 0.856 0.738 0.130  -0.123 -0.124 108 LYS LLL CB   
4841 C CG   . LYS B 108 ? 0.646 0.924 0.790 0.154  -0.139 -0.127 108 LYS LLL CG   
4842 C CD   . LYS B 108 ? 0.695 0.946 0.813 0.157  -0.135 -0.100 108 LYS LLL CD   
4843 C CE   . LYS B 108 ? 0.746 1.000 0.860 0.178  -0.148 -0.105 108 LYS LLL CE   
4844 N NZ   . LYS B 108 ? 0.790 1.034 0.866 0.204  -0.160 -0.097 108 LYS LLL NZ   
4845 H H    . LYS B 108 ? 0.522 0.787 0.700 0.092  -0.095 -0.123 108 LYS LLL H    
4846 H HA   . LYS B 108 ? 0.545 0.793 0.703 0.108  -0.104 -0.103 108 LYS LLL HA   
4847 H HB2  . LYS B 108 ? 0.593 0.853 0.727 0.130  -0.120 -0.109 108 LYS LLL HB2  
4848 H HB3  . LYS B 108 ? 0.586 0.877 0.760 0.129  -0.126 -0.142 108 LYS LLL HB3  
4849 H HG2  . LYS B 108 ? 0.658 0.942 0.790 0.168  -0.149 -0.131 108 LYS LLL HG2  
4850 H HG3  . LYS B 108 ? 0.640 0.934 0.809 0.154  -0.143 -0.144 108 LYS LLL HG3  
4851 H HD2  . LYS B 108 ? 0.678 0.921 0.805 0.142  -0.124 -0.094 108 LYS LLL HD2  
4852 H HD3  . LYS B 108 ? 0.702 0.940 0.795 0.162  -0.133 -0.085 108 LYS LLL HD3  
4853 H HE2  . LYS B 108 ? 0.736 1.011 0.874 0.179  -0.154 -0.126 108 LYS LLL HE2  
4854 H HE3  . LYS B 108 ? 0.738 0.978 0.849 0.172  -0.142 -0.094 108 LYS LLL HE3  
4855 H HZ1  . LYS B 108 ? 0.792 1.016 0.847 0.203  -0.152 -0.077 108 LYS LLL HZ1  
4856 H HZ2  . LYS B 108 ? 0.799 1.046 0.873 0.218  -0.168 -0.102 108 LYS LLL HZ2  
4857 H HZ3  . LYS B 108 ? 0.790 1.045 0.866 0.210  -0.165 -0.106 108 LYS LLL HZ3  
4858 N N    . ARG B 109 ? 0.487 0.765 0.699 0.105  -0.107 -0.138 109 ARG LLL N    
4859 C CA   . ARG B 109 ? 0.473 0.769 0.719 0.104  -0.108 -0.160 109 ARG LLL CA   
4860 C C    . ARG B 109 ? 0.464 0.757 0.696 0.123  -0.121 -0.154 109 ARG LLL C    
4861 O O    . ARG B 109 ? 0.515 0.789 0.713 0.134  -0.126 -0.132 109 ARG LLL O    
4862 C CB   . ARG B 109 ? 0.453 0.741 0.718 0.081  -0.088 -0.160 109 ARG LLL CB   
4863 C CG   . ARG B 109 ? 0.433 0.691 0.673 0.073  -0.078 -0.133 109 ARG LLL CG   
4864 C CD   . ARG B 109 ? 0.412 0.666 0.669 0.061  -0.065 -0.136 109 ARG LLL CD   
4865 N NE   . ARG B 109 ? 0.411 0.680 0.683 0.073  -0.076 -0.149 109 ARG LLL NE   
4866 C CZ   . ARG B 109 ? 0.400 0.679 0.700 0.066  -0.069 -0.165 109 ARG LLL CZ   
4867 N NH1  . ARG B 109 ? 0.399 0.672 0.714 0.048  -0.049 -0.170 109 ARG LLL NH1  
4868 N NH2  . ARG B 109 ? 0.388 0.682 0.701 0.080  -0.081 -0.176 109 ARG LLL NH2  
4869 H H    . ARG B 109 ? 0.494 0.754 0.686 0.107  -0.105 -0.120 109 ARG LLL H    
4870 H HA   . ARG B 109 ? 0.471 0.788 0.735 0.108  -0.115 -0.179 109 ARG LLL HA   
4871 H HB2  . ARG B 109 ? 0.448 0.749 0.735 0.081  -0.088 -0.174 109 ARG LLL HB2  
4872 H HB3  . ARG B 109 ? 0.445 0.736 0.718 0.071  -0.081 -0.165 109 ARG LLL HB3  
4873 H HG2  . ARG B 109 ? 0.430 0.678 0.659 0.065  -0.071 -0.123 109 ARG LLL HG2  
4874 H HG3  . ARG B 109 ? 0.441 0.692 0.663 0.084  -0.086 -0.122 109 ARG LLL HG3  
4875 H HD2  . ARG B 109 ? 0.409 0.667 0.683 0.050  -0.055 -0.147 109 ARG LLL HD2  
4876 H HD3  . ARG B 109 ? 0.413 0.648 0.653 0.057  -0.060 -0.120 109 ARG LLL HD3  
4877 H HE   . ARG B 109 ? 0.418 0.689 0.680 0.086  -0.088 -0.147 109 ARG LLL HE   
4878 H HH11 . ARG B 109 ? 0.395 0.657 0.700 0.040  -0.041 -0.162 109 ARG LLL HH11 
4879 H HH12 . ARG B 109 ? 0.396 0.675 0.729 0.044  -0.044 -0.180 109 ARG LLL HH12 
4880 H HH21 . ARG B 109 ? 0.403 0.698 0.703 0.093  -0.094 -0.173 109 ARG LLL HH21 
4881 H HH22 . ARG B 109 ? 0.392 0.694 0.725 0.076  -0.076 -0.187 109 ARG LLL HH22 
4882 N N    . THR B 110 ? 0.458 0.769 0.717 0.128  -0.127 -0.173 110 THR LLL N    
4883 C CA   . THR B 110 ? 0.450 0.757 0.696 0.147  -0.139 -0.169 110 THR LLL CA   
4884 C C    . THR B 110 ? 0.439 0.717 0.667 0.137  -0.127 -0.144 110 THR LLL C    
4885 O O    . THR B 110 ? 0.437 0.705 0.673 0.115  -0.110 -0.138 110 THR LLL O    
4886 C CB   . THR B 110 ? 0.461 0.797 0.743 0.154  -0.148 -0.198 110 THR LLL CB   
4887 O OG1  . THR B 110 ? 0.454 0.791 0.764 0.130  -0.129 -0.203 110 THR LLL OG1  
4888 C CG2  . THR B 110 ? 0.450 0.819 0.756 0.165  -0.162 -0.228 110 THR LLL CG2  
4889 H H    . THR B 110 ? 0.446 0.772 0.732 0.119  -0.122 -0.190 110 THR LLL H    
4890 H HA   . THR B 110 ? 0.470 0.774 0.694 0.162  -0.150 -0.163 110 THR LLL HA   
4891 H HB   . THR B 110 ? 0.469 0.799 0.740 0.167  -0.156 -0.193 110 THR LLL HB   
4893 H HG21 . THR B 110 ? 0.470 0.837 0.753 0.182  -0.174 -0.223 110 THR LLL HG21 
4894 H HG22 . THR B 110 ? 0.455 0.843 0.785 0.170  -0.167 -0.246 110 THR LLL HG22 
4895 H HG23 . THR B 110 ? 0.444 0.819 0.764 0.151  -0.153 -0.234 110 THR LLL HG23 
4896 N N    . VAL B 111 ? 0.443 0.707 0.649 0.153  -0.136 -0.131 111 VAL LLL N    
4897 C CA   . VAL B 111 ? 0.448 0.683 0.636 0.146  -0.127 -0.108 111 VAL LLL CA   
4898 C C    . VAL B 111 ? 0.419 0.660 0.636 0.132  -0.118 -0.118 111 VAL LLL C    
4899 O O    . VAL B 111 ? 0.393 0.656 0.634 0.139  -0.124 -0.139 111 VAL LLL O    
4900 C CB   . VAL B 111 ? 0.476 0.696 0.637 0.169  -0.138 -0.096 111 VAL LLL CB   
4901 C CG1  . VAL B 111 ? 0.487 0.679 0.636 0.163  -0.130 -0.076 111 VAL LLL CG1  
4902 C CG2  . VAL B 111 ? 0.505 0.715 0.634 0.184  -0.145 -0.084 111 VAL LLL CG2  
4903 H H    . VAL B 111 ? 0.462 0.731 0.661 0.170  -0.148 -0.136 111 VAL LLL H    
4904 H HA   . VAL B 111 ? 0.440 0.661 0.616 0.137  -0.119 -0.094 111 VAL LLL HA   
4905 H HB   . VAL B 111 ? 0.485 0.720 0.658 0.181  -0.148 -0.111 111 VAL LLL HB   
4906 H HG11 . VAL B 111 ? 0.480 0.678 0.645 0.162  -0.130 -0.085 111 VAL LLL HG11 
4907 H HG12 . VAL B 111 ? 0.502 0.679 0.629 0.175  -0.134 -0.065 111 VAL LLL HG12 
4908 H HG13 . VAL B 111 ? 0.472 0.655 0.621 0.148  -0.119 -0.067 111 VAL LLL HG13 
4909 H HG21 . VAL B 111 ? 0.494 0.694 0.616 0.172  -0.135 -0.072 111 VAL LLL HG21 
4910 H HG22 . VAL B 111 ? 0.522 0.717 0.630 0.198  -0.149 -0.075 111 VAL LLL HG22 
4911 H HG23 . VAL B 111 ? 0.505 0.733 0.641 0.192  -0.153 -0.099 111 VAL LLL HG23 
4912 N N    . ALA B 112 ? 0.387 0.609 0.600 0.114  -0.103 -0.104 112 ALA LLL N    
4913 C CA   . ALA B 112 ? 0.380 0.603 0.614 0.103  -0.094 -0.112 112 ALA LLL CA   
4914 C C    . ALA B 112 ? 0.373 0.569 0.587 0.101  -0.089 -0.091 112 ALA LLL C    
4915 O O    . ALA B 112 ? 0.349 0.526 0.544 0.093  -0.083 -0.073 112 ALA LLL O    
4916 C CB   . ALA B 112 ? 0.378 0.608 0.631 0.084  -0.078 -0.122 112 ALA LLL CB   
4917 H H    . ALA B 112 ? 0.390 0.599 0.589 0.109  -0.098 -0.091 112 ALA LLL H    
4918 H HA   . ALA B 112 ? 0.384 0.621 0.631 0.112  -0.100 -0.125 112 ALA LLL HA   
4919 H HB1  . ALA B 112 ? 0.370 0.600 0.634 0.078  -0.071 -0.126 112 ALA LLL HB1  
4920 H HB2  . ALA B 112 ? 0.372 0.621 0.640 0.086  -0.081 -0.136 112 ALA LLL HB2  
4921 H HB3  . ALA B 112 ? 0.370 0.588 0.609 0.077  -0.072 -0.109 112 ALA LLL HB3  
4922 N N    . ALA B 113 ? 0.368 0.562 0.588 0.108  -0.093 -0.094 113 ALA LLL N    
4923 C CA   . ALA B 113 ? 0.384 0.553 0.588 0.106  -0.090 -0.077 113 ALA LLL CA   
4924 C C    . ALA B 113 ? 0.372 0.532 0.581 0.087  -0.075 -0.074 113 ALA LLL C    
4925 O O    . ALA B 113 ? 0.359 0.531 0.586 0.078  -0.067 -0.089 113 ALA LLL O    
4926 C CB   . ALA B 113 ? 0.384 0.556 0.596 0.118  -0.097 -0.085 113 ALA LLL CB   
4927 H H    . ALA B 113 ? 0.375 0.584 0.609 0.114  -0.098 -0.108 113 ALA LLL H    
4928 H HA   . ALA B 113 ? 0.388 0.544 0.574 0.110  -0.092 -0.064 113 ALA LLL HA   
4929 H HB1  . ALA B 113 ? 0.391 0.546 0.593 0.117  -0.095 -0.074 113 ALA LLL HB1  
4930 H HB2  . ALA B 113 ? 0.398 0.575 0.605 0.132  -0.107 -0.087 113 ALA LLL HB2  
4931 H HB3  . ALA B 113 ? 0.380 0.565 0.611 0.114  -0.094 -0.099 113 ALA LLL HB3  
4932 N N    . PRO B 114 ? 0.402 0.538 0.593 0.081  -0.070 -0.057 114 PRO LLL N    
4933 C CA   . PRO B 114 ? 0.395 0.523 0.589 0.067  -0.058 -0.056 114 PRO LLL CA   
4934 C C    . PRO B 114 ? 0.403 0.531 0.608 0.068  -0.056 -0.066 114 PRO LLL C    
4935 O O    . PRO B 114 ? 0.384 0.510 0.590 0.078  -0.064 -0.065 114 PRO LLL O    
4936 C CB   . PRO B 114 ? 0.411 0.516 0.586 0.064  -0.058 -0.038 114 PRO LLL CB   
4937 C CG   . PRO B 114 ? 0.429 0.528 0.596 0.077  -0.068 -0.030 114 PRO LLL CG   
4938 C CD   . PRO B 114 ? 0.424 0.542 0.595 0.087  -0.075 -0.039 114 PRO LLL CD   
4939 H HA   . PRO B 114 ? 0.392 0.525 0.589 0.060  -0.052 -0.061 114 PRO LLL HA   
4940 H HB2  . PRO B 114 ? 0.409 0.505 0.583 0.060  -0.054 -0.037 114 PRO LLL HB2  
4941 H HB3  . PRO B 114 ? 0.405 0.509 0.573 0.059  -0.055 -0.033 114 PRO LLL HB3  
4942 H HG2  . PRO B 114 ? 0.431 0.526 0.601 0.081  -0.070 -0.032 114 PRO LLL HG2  
4943 H HG3  . PRO B 114 ? 0.429 0.517 0.585 0.076  -0.068 -0.019 114 PRO LLL HG3  
4944 H HD2  . PRO B 114 ? 0.434 0.551 0.602 0.098  -0.082 -0.039 114 PRO LLL HD2  
4945 H HD3  . PRO B 114 ? 0.422 0.541 0.586 0.087  -0.075 -0.034 114 PRO LLL HD3  
4946 N N    . SER B 115 ? 0.416 0.544 0.629 0.057  -0.044 -0.074 115 SER LLL N    
4947 C CA   . SER B 115 ? 0.425 0.547 0.642 0.056  -0.038 -0.079 115 SER LLL CA   
4948 C C    . SER B 115 ? 0.421 0.519 0.618 0.052  -0.036 -0.065 115 SER LLL C    
4949 O O    . SER B 115 ? 0.395 0.484 0.581 0.045  -0.030 -0.059 115 SER LLL O    
4950 C CB   . SER B 115 ? 0.421 0.553 0.654 0.049  -0.024 -0.094 115 SER LLL CB   
4951 O OG   . SER B 115 ? 0.454 0.611 0.709 0.052  -0.027 -0.108 115 SER LLL OG   
4952 H H    . SER B 115 ? 0.408 0.539 0.622 0.051  -0.037 -0.076 115 SER LLL H    
4953 H HA   . SER B 115 ? 0.427 0.552 0.649 0.065  -0.046 -0.081 115 SER LLL HA   
4954 H HB2  . SER B 115 ? 0.429 0.553 0.654 0.042  -0.015 -0.091 115 SER LLL HB2  
4955 H HB3  . SER B 115 ? 0.434 0.564 0.672 0.051  -0.022 -0.099 115 SER LLL HB3  
4957 N N    . VAL B 116 ? 0.412 0.499 0.606 0.058  -0.042 -0.061 116 VAL LLL N    
4958 C CA   . VAL B 116 ? 0.425 0.491 0.605 0.056  -0.044 -0.050 116 VAL LLL CA   
4959 C C    . VAL B 116 ? 0.412 0.470 0.590 0.055  -0.037 -0.056 116 VAL LLL C    
4960 O O    . VAL B 116 ? 0.444 0.508 0.632 0.059  -0.037 -0.066 116 VAL LLL O    
4961 C CB   . VAL B 116 ? 0.446 0.504 0.623 0.064  -0.055 -0.041 116 VAL LLL CB   
4962 C CG1  . VAL B 116 ? 0.455 0.494 0.623 0.060  -0.056 -0.031 116 VAL LLL CG1  
4963 C CG2  . VAL B 116 ? 0.431 0.498 0.608 0.068  -0.060 -0.036 116 VAL LLL CG2  
4964 H H    . VAL B 116 ? 0.421 0.514 0.623 0.064  -0.047 -0.066 116 VAL LLL H    
4965 H HA   . VAL B 116 ? 0.419 0.481 0.591 0.051  -0.041 -0.045 116 VAL LLL HA   
4966 H HB   . VAL B 116 ? 0.447 0.506 0.630 0.069  -0.057 -0.046 116 VAL LLL HB   
4967 H HG11 . VAL B 116 ? 0.457 0.491 0.625 0.060  -0.055 -0.035 116 VAL LLL HG11 
4968 H HG12 . VAL B 116 ? 0.459 0.492 0.626 0.063  -0.061 -0.025 116 VAL LLL HG12 
4969 H HG13 . VAL B 116 ? 0.449 0.487 0.611 0.055  -0.053 -0.028 116 VAL LLL HG13 
4970 H HG21 . VAL B 116 ? 0.429 0.499 0.602 0.063  -0.057 -0.034 116 VAL LLL HG21 
4971 H HG22 . VAL B 116 ? 0.442 0.499 0.613 0.072  -0.064 -0.027 116 VAL LLL HG22 
4972 H HG23 . VAL B 116 ? 0.436 0.514 0.620 0.074  -0.063 -0.043 116 VAL LLL HG23 
4973 N N    . PHE B 117 ? 0.417 0.461 0.581 0.050  -0.033 -0.052 117 PHE LLL N    
4974 C CA   . PHE B 117 ? 0.430 0.461 0.584 0.050  -0.027 -0.057 117 PHE LLL CA   
4975 C C    . PHE B 117 ? 0.452 0.467 0.595 0.051  -0.034 -0.050 117 PHE LLL C    
4976 O O    . PHE B 117 ? 0.443 0.457 0.580 0.047  -0.036 -0.042 117 PHE LLL O    
4977 C CB   . PHE B 117 ? 0.465 0.493 0.611 0.046  -0.012 -0.062 117 PHE LLL CB   
4978 C CG   . PHE B 117 ? 0.456 0.501 0.618 0.043  -0.003 -0.072 117 PHE LLL CG   
4979 C CD1  . PHE B 117 ? 0.454 0.512 0.624 0.038  -0.001 -0.071 117 PHE LLL CD1  
4980 C CD2  . PHE B 117 ? 0.495 0.543 0.666 0.045  0.006  -0.083 117 PHE LLL CD2  
4981 C CE1  . PHE B 117 ? 0.453 0.528 0.642 0.035  0.007  -0.083 117 PHE LLL CE1  
4982 C CE2  . PHE B 117 ? 0.473 0.539 0.665 0.041  0.015  -0.094 117 PHE LLL CE2  
4983 C CZ   . PHE B 117 ? 0.477 0.556 0.678 0.036  0.016  -0.095 117 PHE LLL CZ   
4984 H H    . PHE B 117 ? 0.414 0.455 0.571 0.047  -0.033 -0.046 117 PHE LLL H    
4985 H HA   . PHE B 117 ? 0.442 0.475 0.604 0.054  -0.029 -0.062 117 PHE LLL HA   
4986 H HB2  . PHE B 117 ? 0.454 0.479 0.591 0.043  -0.011 -0.057 117 PHE LLL HB2  
4987 H HB3  . PHE B 117 ? 0.466 0.484 0.603 0.048  -0.008 -0.065 117 PHE LLL HB3  
4988 H HD1  . PHE B 117 ? 0.449 0.505 0.612 0.037  -0.006 -0.064 117 PHE LLL HD1  
4989 H HD2  . PHE B 117 ? 0.490 0.529 0.655 0.048  0.005  -0.083 117 PHE LLL HD2  
4990 H HE1  . PHE B 117 ? 0.450 0.534 0.645 0.032  0.007  -0.084 117 PHE LLL HE1  
4991 H HE2  . PHE B 117 ? 0.485 0.554 0.685 0.042  0.022  -0.103 117 PHE LLL HE2  
4992 H HZ   . PHE B 117 ? 0.467 0.559 0.685 0.034  0.022  -0.105 117 PHE LLL HZ   
4993 N N    . ILE B 118 ? 0.453 0.458 0.593 0.056  -0.037 -0.054 118 ILE LLL N    
4994 C CA   . ILE B 118 ? 0.460 0.450 0.592 0.057  -0.045 -0.051 118 ILE LLL CA   
4995 C C    . ILE B 118 ? 0.461 0.440 0.575 0.061  -0.040 -0.058 118 ILE LLL C    
4996 O O    . ILE B 118 ? 0.454 0.433 0.568 0.064  -0.034 -0.065 118 ILE LLL O    
4997 C CB   . ILE B 118 ? 0.461 0.448 0.606 0.060  -0.055 -0.049 118 ILE LLL CB   
4998 C CG1  . ILE B 118 ? 0.467 0.443 0.611 0.059  -0.063 -0.048 118 ILE LLL CG1  
4999 C CG2  . ILE B 118 ? 0.472 0.457 0.620 0.066  -0.055 -0.058 118 ILE LLL CG2  
5000 C CD1  . ILE B 118 ? 0.481 0.452 0.641 0.059  -0.070 -0.044 118 ILE LLL CD1  
5001 H H    . ILE B 118 ? 0.460 0.465 0.603 0.058  -0.035 -0.059 118 ILE LLL H    
5002 H HA   . ILE B 118 ? 0.452 0.443 0.581 0.053  -0.046 -0.046 118 ILE LLL HA   
5003 H HB   . ILE B 118 ? 0.456 0.449 0.609 0.059  -0.057 -0.045 118 ILE LLL HB   
5004 H HG12 . ILE B 118 ? 0.478 0.447 0.614 0.062  -0.064 -0.054 118 ILE LLL HG12 
5005 H HG13 . ILE B 118 ? 0.464 0.443 0.605 0.055  -0.062 -0.044 118 ILE LLL HG13 
5006 H HG21 . ILE B 118 ? 0.469 0.462 0.618 0.066  -0.049 -0.061 118 ILE LLL HG21 
5007 H HG22 . ILE B 118 ? 0.473 0.456 0.630 0.068  -0.061 -0.056 118 ILE LLL HG22 
5008 H HG23 . ILE B 118 ? 0.480 0.456 0.620 0.068  -0.056 -0.062 118 ILE LLL HG23 
5009 H HD11 . ILE B 118 ? 0.472 0.448 0.636 0.057  -0.069 -0.037 118 ILE LLL HD11 
5010 H HD12 . ILE B 118 ? 0.480 0.446 0.643 0.057  -0.074 -0.045 118 ILE LLL HD12 
5011 H HD13 . ILE B 118 ? 0.483 0.452 0.646 0.063  -0.071 -0.048 118 ILE LLL HD13 
5012 N N    . PHE B 119 ? 0.461 0.430 0.562 0.061  -0.043 -0.057 119 PHE LLL N    
5013 C CA   . PHE B 119 ? 0.510 0.465 0.587 0.068  -0.040 -0.063 119 PHE LLL CA   
5014 C C    . PHE B 119 ? 0.520 0.467 0.597 0.074  -0.054 -0.067 119 PHE LLL C    
5015 O O    . PHE B 119 ? 0.489 0.439 0.573 0.071  -0.062 -0.064 119 PHE LLL O    
5016 C CB   . PHE B 119 ? 0.536 0.487 0.593 0.067  -0.032 -0.059 119 PHE LLL CB   
5017 C CG   . PHE B 119 ? 0.537 0.494 0.596 0.061  -0.017 -0.057 119 PHE LLL CG   
5018 C CD1  . PHE B 119 ? 0.553 0.505 0.605 0.063  -0.003 -0.063 119 PHE LLL CD1  
5019 C CD2  . PHE B 119 ? 0.535 0.506 0.607 0.053  -0.016 -0.051 119 PHE LLL CD2  
5020 C CE1  . PHE B 119 ? 0.545 0.505 0.604 0.057  0.012  -0.064 119 PHE LLL CE1  
5021 C CE2  . PHE B 119 ? 0.540 0.518 0.617 0.048  -0.003 -0.052 119 PHE LLL CE2  
5022 C CZ   . PHE B 119 ? 0.548 0.521 0.620 0.049  0.011  -0.059 119 PHE LLL CZ   
5023 H H    . PHE B 119 ? 0.463 0.435 0.567 0.059  -0.048 -0.052 119 PHE LLL H    
5024 H HA   . PHE B 119 ? 0.516 0.468 0.589 0.071  -0.034 -0.067 119 PHE LLL HA   
5025 H HB2  . PHE B 119 ? 0.524 0.479 0.586 0.065  -0.038 -0.055 119 PHE LLL HB2  
5026 H HB3  . PHE B 119 ? 0.548 0.487 0.587 0.074  -0.030 -0.063 119 PHE LLL HB3  
5027 H HD1  . PHE B 119 ? 0.566 0.509 0.608 0.069  -0.003 -0.067 119 PHE LLL HD1  
5028 H HD2  . PHE B 119 ? 0.525 0.499 0.602 0.052  -0.024 -0.047 119 PHE LLL HD2  
5029 H HE1  . PHE B 119 ? 0.561 0.517 0.617 0.058  0.023  -0.069 119 PHE LLL HE1  
5030 H HE2  . PHE B 119 ? 0.524 0.512 0.609 0.044  -0.004 -0.049 119 PHE LLL HE2  
5031 H HZ   . PHE B 119 ? 0.540 0.520 0.620 0.045  0.020  -0.062 119 PHE LLL HZ   
5032 N N    . PRO B 120 ? 0.528 0.467 0.601 0.081  -0.057 -0.076 120 PRO LLL N    
5033 C CA   . PRO B 120 ? 0.553 0.484 0.624 0.088  -0.070 -0.083 120 PRO LLL CA   
5034 C C    . PRO B 120 ? 0.564 0.486 0.610 0.095  -0.072 -0.086 120 PRO LLL C    
5035 O O    . PRO B 120 ? 0.561 0.478 0.585 0.097  -0.061 -0.083 120 PRO LLL O    
5036 C CB   . PRO B 120 ? 0.569 0.492 0.634 0.096  -0.070 -0.092 120 PRO LLL CB   
5037 C CG   . PRO B 120 ? 0.571 0.501 0.643 0.092  -0.058 -0.088 120 PRO LLL CG   
5038 C CD   . PRO B 120 ? 0.540 0.477 0.609 0.085  -0.047 -0.080 120 PRO LLL CD   
5039 H HA   . PRO B 120 ? 0.541 0.477 0.630 0.083  -0.078 -0.082 120 PRO LLL HA   
5040 H HB2  . PRO B 120 ? 0.588 0.501 0.631 0.104  -0.069 -0.097 120 PRO LLL HB2  
5041 H HB3  . PRO B 120 ? 0.571 0.494 0.650 0.097  -0.079 -0.096 120 PRO LLL HB3  
5042 H HG2  . PRO B 120 ? 0.577 0.500 0.636 0.098  -0.052 -0.093 120 PRO LLL HG2  
5043 H HG3  . PRO B 120 ? 0.556 0.491 0.646 0.089  -0.062 -0.087 120 PRO LLL HG3  
5044 H HD2  . PRO B 120 ? 0.554 0.485 0.605 0.087  -0.038 -0.081 120 PRO LLL HD2  
5045 H HD3  . PRO B 120 ? 0.532 0.479 0.615 0.080  -0.044 -0.077 120 PRO LLL HD3  
5046 N N    . PRO B 121 ? 0.583 0.504 0.632 0.100  -0.087 -0.094 121 PRO LLL N    
5047 C CA   . PRO B 121 ? 0.604 0.515 0.625 0.111  -0.090 -0.100 121 PRO LLL CA   
5048 C C    . PRO B 121 ? 0.629 0.523 0.615 0.125  -0.083 -0.105 121 PRO LLL C    
5049 O O    . PRO B 121 ? 0.609 0.499 0.597 0.127  -0.082 -0.109 121 PRO LLL O    
5050 C CB   . PRO B 121 ? 0.621 0.537 0.661 0.115  -0.109 -0.112 121 PRO LLL CB   
5051 C CG   . PRO B 121 ? 0.621 0.540 0.689 0.108  -0.113 -0.114 121 PRO LLL CG   
5052 C CD   . PRO B 121 ? 0.600 0.526 0.679 0.097  -0.099 -0.100 121 PRO LLL CD   
5053 H HA   . PRO B 121 ? 0.599 0.513 0.616 0.107  -0.086 -0.093 121 PRO LLL HA   
5054 H HB2  . PRO B 121 ? 0.639 0.546 0.660 0.126  -0.115 -0.120 121 PRO LLL HB2  
5055 H HB3  . PRO B 121 ? 0.609 0.532 0.660 0.109  -0.112 -0.109 121 PRO LLL HB3  
5056 H HG2  . PRO B 121 ? 0.633 0.544 0.691 0.116  -0.114 -0.121 121 PRO LLL HG2  
5057 H HG3  . PRO B 121 ? 0.613 0.538 0.703 0.105  -0.121 -0.118 121 PRO LLL HG3  
5058 H HD2  . PRO B 121 ? 0.595 0.519 0.681 0.096  -0.098 -0.101 121 PRO LLL HD2  
5059 H HD3  . PRO B 121 ? 0.580 0.514 0.676 0.088  -0.100 -0.094 121 PRO LLL HD3  
5060 N N    . SER B 122 ? 0.662 0.542 0.612 0.135  -0.078 -0.104 122 SER LLL N    
5061 C CA   . SER B 122 ? 0.697 0.554 0.604 0.152  -0.070 -0.109 122 SER LLL CA   
5062 C C    . SER B 122 ? 0.729 0.580 0.627 0.168  -0.089 -0.125 122 SER LLL C    
5063 O O    . SER B 122 ? 0.698 0.560 0.616 0.168  -0.108 -0.132 122 SER LLL O    
5064 C CB   . SER B 122 ? 0.725 0.568 0.598 0.157  -0.059 -0.103 122 SER LLL CB   
5065 O OG   . SER B 122 ? 0.731 0.576 0.600 0.164  -0.075 -0.107 122 SER LLL OG   
5066 H H    . SER B 122 ? 0.654 0.537 0.602 0.133  -0.078 -0.101 122 SER LLL H    
5067 H HA   . SER B 122 ? 0.701 0.556 0.610 0.149  -0.060 -0.107 122 SER LLL HA   
5068 H HB2  . SER B 122 ? 0.750 0.575 0.593 0.168  -0.051 -0.104 122 SER LLL HB2  
5069 H HB3  . SER B 122 ? 0.708 0.556 0.590 0.146  -0.048 -0.094 122 SER LLL HB3  
5071 N N    . ASP B 123 ? 0.777 0.609 0.644 0.183  -0.084 -0.130 123 ASP LLL N    
5072 C CA   . ASP B 123 ? 0.838 0.661 0.687 0.203  -0.102 -0.147 123 ASP LLL CA   
5073 C C    . ASP B 123 ? 0.869 0.684 0.689 0.218  -0.111 -0.151 123 ASP LLL C    
5074 O O    . ASP B 123 ? 0.858 0.678 0.685 0.228  -0.133 -0.166 123 ASP LLL O    
5075 C CB   . ASP B 123 ? 0.902 0.706 0.723 0.216  -0.094 -0.152 123 ASP LLL CB   
5076 C CG   . ASP B 123 ? 0.919 0.737 0.779 0.206  -0.100 -0.157 123 ASP LLL CG   
5077 O OD1  . ASP B 123 ? 0.901 0.729 0.784 0.190  -0.087 -0.147 123 ASP LLL OD1  
5078 O OD2  . ASP B 123 ? 1.003 0.824 0.873 0.214  -0.120 -0.171 123 ASP LLL OD2  
5079 H H    . ASP B 123 ? 0.787 0.611 0.643 0.182  -0.070 -0.126 123 ASP LLL H    
5080 H HA   . ASP B 123 ? 0.823 0.660 0.703 0.197  -0.115 -0.153 123 ASP LLL HA   
5081 H HB2  . ASP B 123 ? 0.909 0.703 0.713 0.214  -0.076 -0.143 123 ASP LLL HB2  
5082 H HB3  . ASP B 123 ? 0.929 0.721 0.724 0.233  -0.103 -0.161 123 ASP LLL HB3  
5083 N N    . GLU B 124 ? 0.902 0.704 0.694 0.218  -0.095 -0.138 124 GLU LLL N    
5084 C CA   . GLU B 124 ? 0.943 0.735 0.704 0.233  -0.102 -0.141 124 GLU LLL CA   
5085 C C    . GLU B 124 ? 0.878 0.697 0.681 0.225  -0.124 -0.148 124 GLU LLL C    
5086 O O    . GLU B 124 ? 0.904 0.725 0.701 0.241  -0.144 -0.163 124 GLU LLL O    
5087 C CB   . GLU B 124 ? 1.007 0.783 0.740 0.230  -0.078 -0.125 124 GLU LLL CB   
5088 C CG   . GLU B 124 ? 1.111 0.856 0.783 0.255  -0.076 -0.126 124 GLU LLL CG   
5089 C CD   . GLU B 124 ? 1.157 0.894 0.812 0.251  -0.063 -0.113 124 GLU LLL CD   
5090 O OE1  . GLU B 124 ? 1.194 0.939 0.872 0.230  -0.044 -0.100 124 GLU LLL OE1  
5091 O OE2  . GLU B 124 ? 1.248 0.970 0.868 0.271  -0.072 -0.117 124 GLU LLL OE2  
5092 H H    . GLU B 124 ? 0.894 0.693 0.685 0.209  -0.079 -0.129 124 GLU LLL H    
5093 H HA   . GLU B 124 ? 0.974 0.751 0.706 0.252  -0.109 -0.150 124 GLU LLL HA   
5094 H HB2  . GLU B 124 ? 1.004 0.774 0.735 0.223  -0.062 -0.118 124 GLU LLL HB2  
5095 H HB3  . GLU B 124 ? 0.979 0.770 0.735 0.217  -0.079 -0.119 124 GLU LLL HB3  
5096 H HG2  . GLU B 124 ? 1.117 0.866 0.786 0.268  -0.095 -0.137 124 GLU LLL HG2  
5097 H HG3  . GLU B 124 ? 1.134 0.859 0.778 0.264  -0.064 -0.125 124 GLU LLL HG3  
5098 N N    . GLN B 125 ? 0.803 0.644 0.651 0.200  -0.119 -0.139 125 GLN LLL N    
5099 C CA   . GLN B 125 ? 0.760 0.625 0.651 0.190  -0.135 -0.144 125 GLN LLL CA   
5100 C C    . GLN B 125 ? 0.749 0.626 0.671 0.192  -0.155 -0.161 125 GLN LLL C    
5101 O O    . GLN B 125 ? 0.730 0.621 0.672 0.195  -0.173 -0.174 125 GLN LLL O    
5102 C CB   . GLN B 125 ? 0.683 0.565 0.610 0.165  -0.124 -0.129 125 GLN LLL CB   
5103 C CG   . GLN B 125 ? 0.639 0.541 0.597 0.157  -0.135 -0.131 125 GLN LLL CG   
5104 C CD   . GLN B 125 ? 0.598 0.516 0.591 0.134  -0.125 -0.117 125 GLN LLL CD   
5105 O OE1  . GLN B 125 ? 0.564 0.482 0.564 0.124  -0.113 -0.107 125 GLN LLL OE1  
5106 N NE2  . GLN B 125 ? 0.575 0.508 0.589 0.128  -0.132 -0.117 125 GLN LLL NE2  
5107 H H    . GLN B 125 ? 0.795 0.636 0.648 0.190  -0.106 -0.129 125 GLN LLL H    
5108 H HA   . GLN B 125 ? 0.763 0.627 0.640 0.198  -0.141 -0.146 125 GLN LLL HA   
5109 H HB2  . GLN B 125 ? 0.688 0.562 0.597 0.163  -0.110 -0.118 125 GLN LLL HB2  
5110 H HB3  . GLN B 125 ? 0.674 0.562 0.622 0.157  -0.123 -0.128 125 GLN LLL HB3  
5111 H HG2  . GLN B 125 ? 0.644 0.553 0.619 0.160  -0.148 -0.142 125 GLN LLL HG2  
5112 H HG3  . GLN B 125 ? 0.654 0.551 0.591 0.165  -0.135 -0.130 125 GLN LLL HG3  
5115 N N    . LEU B 126 ? 0.754 0.629 0.685 0.189  -0.152 -0.163 126 LEU LLL N    
5116 C CA   . LEU B 126 ? 0.802 0.687 0.765 0.190  -0.170 -0.180 126 LEU LLL CA   
5117 C C    . LEU B 126 ? 0.847 0.725 0.787 0.215  -0.190 -0.201 126 LEU LLL C    
5118 O O    . LEU B 126 ? 0.839 0.732 0.812 0.215  -0.209 -0.219 126 LEU LLL O    
5119 C CB   . LEU B 126 ? 0.796 0.676 0.767 0.184  -0.162 -0.177 126 LEU LLL CB   
5120 C CG   . LEU B 126 ? 0.767 0.659 0.773 0.161  -0.150 -0.162 126 LEU LLL CG   
5121 C CD1  . LEU B 126 ? 0.759 0.645 0.767 0.158  -0.142 -0.159 126 LEU LLL CD1  
5122 C CD2  . LEU B 126 ? 0.750 0.660 0.804 0.148  -0.161 -0.167 126 LEU LLL CD2  
5123 H H    . LEU B 126 ? 0.766 0.633 0.685 0.187  -0.140 -0.155 126 LEU LLL H    
5124 H HA   . LEU B 126 ? 0.772 0.672 0.769 0.178  -0.175 -0.181 126 LEU LLL HA   
5125 H HB2  . LEU B 126 ? 0.815 0.681 0.754 0.192  -0.153 -0.173 126 LEU LLL HB2  
5126 H HB3  . LEU B 126 ? 0.805 0.687 0.788 0.189  -0.174 -0.190 126 LEU LLL HB3  
5127 H HG   . LEU B 126 ? 0.758 0.649 0.753 0.156  -0.139 -0.150 126 LEU LLL HG   
5128 H HD11 . LEU B 126 ? 0.776 0.651 0.756 0.166  -0.133 -0.156 126 LEU LLL HD11 
5129 H HD12 . LEU B 126 ? 0.741 0.635 0.771 0.145  -0.135 -0.150 126 LEU LLL HD12 
5130 H HD13 . LEU B 126 ? 0.769 0.655 0.788 0.163  -0.152 -0.171 126 LEU LLL HD13 
5131 H HD21 . LEU B 126 ? 0.759 0.670 0.821 0.155  -0.174 -0.181 126 LEU LLL HD21 
5132 H HD22 . LEU B 126 ? 0.733 0.647 0.808 0.136  -0.156 -0.160 126 LEU LLL HD22 
5133 H HD23 . LEU B 126 ? 0.741 0.657 0.796 0.145  -0.161 -0.163 126 LEU LLL HD23 
5134 N N    . LYS B 127 ? 0.917 0.773 0.801 0.235  -0.185 -0.200 127 LYS LLL N    
5135 C CA   . LYS B 127 ? 0.974 0.819 0.824 0.264  -0.203 -0.220 127 LYS LLL CA   
5136 C C    . LYS B 127 ? 0.920 0.784 0.791 0.266  -0.222 -0.231 127 LYS LLL C    
5137 O O    . LYS B 127 ? 0.935 0.804 0.808 0.284  -0.244 -0.254 127 LYS LLL O    
5138 C CB   . LYS B 127 ? 1.060 0.874 0.842 0.284  -0.189 -0.211 127 LYS LLL CB   
5139 C CG   . LYS B 127 ? 1.130 0.922 0.882 0.294  -0.179 -0.211 127 LYS LLL CG   
5140 C CD   . LYS B 127 ? 1.205 0.962 0.887 0.314  -0.161 -0.201 127 LYS LLL CD   
5141 C CE   . LYS B 127 ? 1.274 1.014 0.907 0.347  -0.176 -0.214 127 LYS LLL CE   
5142 N NZ   . LYS B 127 ? 1.310 1.037 0.915 0.372  -0.190 -0.233 127 LYS LLL NZ   
5143 H H    . LYS B 127 ? 0.915 0.760 0.778 0.233  -0.169 -0.188 127 LYS LLL H    
5144 H HA   . LYS B 127 ? 0.977 0.823 0.836 0.269  -0.213 -0.232 127 LYS LLL HA   
5145 H HB2  . LYS B 127 ? 1.048 0.858 0.824 0.275  -0.174 -0.196 127 LYS LLL HB2  
5146 H HB3  . LYS B 127 ? 1.083 0.891 0.842 0.303  -0.201 -0.221 127 LYS LLL HB3  
5147 H HG2  . LYS B 127 ? 1.137 0.933 0.894 0.304  -0.195 -0.226 127 LYS LLL HG2  
5148 H HG3  . LYS B 127 ? 1.102 0.901 0.878 0.277  -0.168 -0.202 127 LYS LLL HG3  
5149 H HD2  . LYS B 127 ? 1.215 0.962 0.885 0.317  -0.152 -0.201 127 LYS LLL HD2  
5150 H HD3  . LYS B 127 ? 1.192 0.946 0.871 0.303  -0.145 -0.187 127 LYS LLL HD3  
5151 H HE2  . LYS B 127 ? 1.289 1.008 0.884 0.354  -0.162 -0.203 127 LYS LLL HE2  
5152 H HE3  . LYS B 127 ? 1.254 1.011 0.909 0.346  -0.192 -0.222 127 LYS LLL HE3  
5153 H HZ1  . LYS B 127 ? 1.293 1.037 0.934 0.366  -0.203 -0.243 127 LYS LLL HZ1  
5154 H HZ2  . LYS B 127 ? 1.340 1.057 0.916 0.393  -0.201 -0.241 127 LYS LLL HZ2  
5155 H HZ3  . LYS B 127 ? 1.327 1.036 0.908 0.375  -0.175 -0.225 127 LYS LLL HZ3  
5156 N N    . SER B 128 ? 0.856 0.731 0.746 0.250  -0.213 -0.218 128 SER LLL N    
5157 C CA   . SER B 128 ? 0.850 0.744 0.763 0.250  -0.228 -0.227 128 SER LLL CA   
5158 C C    . SER B 128 ? 0.794 0.717 0.777 0.227  -0.235 -0.234 128 SER LLL C    
5159 O O    . SER B 128 ? 0.835 0.776 0.843 0.224  -0.244 -0.241 128 SER LLL O    
5160 C CB   . SER B 128 ? 0.846 0.733 0.734 0.246  -0.213 -0.208 128 SER LLL CB   
5161 O OG   . SER B 128 ? 0.874 0.766 0.785 0.220  -0.192 -0.187 128 SER LLL OG   
5162 H H    . SER B 128 ? 0.850 0.723 0.741 0.237  -0.197 -0.202 128 SER LLL H    
5163 H HA   . SER B 128 ? 0.872 0.762 0.767 0.270  -0.243 -0.243 128 SER LLL HA   
5164 H HB2  . SER B 128 ? 0.855 0.754 0.757 0.248  -0.223 -0.215 128 SER LLL HB2  
5165 H HB3  . SER B 128 ? 0.887 0.754 0.731 0.261  -0.207 -0.205 128 SER LLL HB3  
5167 N N    . GLY B 129 ? 0.758 0.684 0.770 0.212  -0.230 -0.232 129 GLY LLL N    
5168 C CA   . GLY B 129 ? 0.718 0.666 0.793 0.193  -0.236 -0.240 129 GLY LLL CA   
5169 C C    . GLY B 129 ? 0.667 0.626 0.773 0.168  -0.220 -0.220 129 GLY LLL C    
5170 O O    . GLY B 129 ? 0.610 0.586 0.765 0.153  -0.224 -0.227 129 GLY LLL O    
5171 H H    . GLY B 129 ? 0.766 0.680 0.761 0.213  -0.222 -0.225 129 GLY LLL H    
5172 H HA2  . GLY B 129 ? 0.718 0.663 0.804 0.190  -0.236 -0.243 129 GLY LLL HA2  
5173 H HA3  . GLY B 129 ? 0.724 0.682 0.814 0.200  -0.251 -0.257 129 GLY LLL HA3  
5174 N N    . THR B 130 ? 0.658 0.608 0.738 0.161  -0.202 -0.197 130 THR LLL N    
5175 C CA   . THR B 130 ? 0.626 0.584 0.734 0.138  -0.186 -0.178 130 THR LLL CA   
5176 C C    . THR B 130 ? 0.629 0.575 0.717 0.132  -0.169 -0.160 130 THR LLL C    
5177 O O    . THR B 130 ? 0.651 0.580 0.698 0.145  -0.165 -0.158 130 THR LLL O    
5178 C CB   . THR B 130 ? 0.647 0.615 0.754 0.134  -0.183 -0.170 130 THR LLL CB   
5179 O OG1  . THR B 130 ? 0.703 0.655 0.763 0.142  -0.172 -0.157 130 THR LLL OG1  
5180 C CG2  . THR B 130 ? 0.640 0.620 0.758 0.145  -0.201 -0.190 130 THR LLL CG2  
5181 H H    . THR B 130 ? 0.672 0.609 0.716 0.171  -0.197 -0.192 130 THR LLL H    
5182 H HA   . THR B 130 ? 0.624 0.591 0.766 0.129  -0.190 -0.184 130 THR LLL HA   
5183 H HB   . THR B 130 ? 0.626 0.601 0.756 0.119  -0.175 -0.161 130 THR LLL HB   
5185 H HG21 . THR B 130 ? 0.642 0.631 0.792 0.141  -0.209 -0.202 130 THR LLL HG21 
5186 H HG22 . THR B 130 ? 0.635 0.622 0.757 0.140  -0.197 -0.184 130 THR LLL HG22 
5187 H HG23 . THR B 130 ? 0.667 0.638 0.754 0.162  -0.208 -0.198 130 THR LLL HG23 
5188 N N    . ALA B 131 ? 0.595 0.547 0.712 0.113  -0.159 -0.147 131 ALA LLL N    
5189 C CA   . ALA B 131 ? 0.584 0.529 0.693 0.106  -0.143 -0.131 131 ALA LLL CA   
5190 C C    . ALA B 131 ? 0.568 0.521 0.684 0.092  -0.131 -0.114 131 ALA LLL C    
5191 O O    . ALA B 131 ? 0.556 0.519 0.705 0.080  -0.132 -0.111 131 ALA LLL O    
5192 C CB   . ALA B 131 ? 0.594 0.539 0.731 0.099  -0.144 -0.134 131 ALA LLL CB   
5193 H H    . ALA B 131 ? 0.586 0.547 0.731 0.105  -0.161 -0.148 131 ALA LLL H    
5194 H HA   . ALA B 131 ? 0.600 0.536 0.681 0.114  -0.139 -0.130 131 ALA LLL HA   
5195 H HB1  . ALA B 131 ? 0.583 0.525 0.717 0.094  -0.135 -0.123 131 ALA LLL HB1  
5196 H HB2  . ALA B 131 ? 0.605 0.544 0.734 0.108  -0.151 -0.144 131 ALA LLL HB2  
5197 H HB3  . ALA B 131 ? 0.582 0.534 0.746 0.091  -0.148 -0.136 131 ALA LLL HB3  
5198 N N    . SER B 132 ? 0.540 0.487 0.627 0.094  -0.120 -0.103 132 SER LLL N    
5199 C CA   . SER B 132 ? 0.505 0.459 0.597 0.082  -0.108 -0.087 132 SER LLL CA   
5200 C C    . SER B 132 ? 0.497 0.448 0.587 0.078  -0.097 -0.079 132 SER LLL C    
5201 O O    . SER B 132 ? 0.519 0.459 0.585 0.086  -0.092 -0.082 132 SER LLL O    
5202 C CB   . SER B 132 ? 0.511 0.463 0.577 0.087  -0.103 -0.083 132 SER LLL CB   
5203 O OG   . SER B 132 ? 0.546 0.502 0.615 0.093  -0.116 -0.093 132 SER LLL OG   
5204 H H    . SER B 132 ? 0.557 0.495 0.619 0.103  -0.119 -0.105 132 SER LLL H    
5205 H HA   . SER B 132 ? 0.496 0.459 0.612 0.075  -0.110 -0.086 132 SER LLL HA   
5206 H HB2  . SER B 132 ? 0.530 0.472 0.571 0.094  -0.098 -0.083 132 SER LLL HB2  
5207 H HB3  . SER B 132 ? 0.503 0.461 0.575 0.078  -0.096 -0.073 132 SER LLL HB3  
5209 N N    . VAL B 133 ? 0.474 0.433 0.589 0.067  -0.094 -0.071 133 VAL LLL N    
5210 C CA   . VAL B 133 ? 0.468 0.426 0.584 0.063  -0.085 -0.063 133 VAL LLL CA   
5211 C C    . VAL B 133 ? 0.458 0.425 0.573 0.056  -0.076 -0.051 133 VAL LLL C    
5212 O O    . VAL B 133 ? 0.435 0.409 0.563 0.050  -0.078 -0.046 133 VAL LLL O    
5213 C CB   . VAL B 133 ? 0.476 0.435 0.618 0.059  -0.089 -0.063 133 VAL LLL CB   
5214 C CG1  . VAL B 133 ? 0.485 0.444 0.625 0.060  -0.082 -0.059 133 VAL LLL CG1  
5215 C CG2  . VAL B 133 ? 0.499 0.451 0.648 0.065  -0.099 -0.077 133 VAL LLL CG2  
5216 H H    . VAL B 133 ? 0.469 0.433 0.601 0.062  -0.097 -0.070 133 VAL LLL H    
5217 H HA   . VAL B 133 ? 0.479 0.433 0.581 0.068  -0.082 -0.066 133 VAL LLL HA   
5218 H HB   . VAL B 133 ? 0.470 0.433 0.626 0.053  -0.088 -0.058 133 VAL LLL HB   
5219 H HG11 . VAL B 133 ? 0.473 0.437 0.612 0.056  -0.076 -0.052 133 VAL LLL HG11 
5220 H HG12 . VAL B 133 ? 0.483 0.439 0.637 0.059  -0.085 -0.059 133 VAL LLL HG12 
5221 H HG13 . VAL B 133 ? 0.490 0.444 0.616 0.065  -0.080 -0.064 133 VAL LLL HG13 
5222 H HG21 . VAL B 133 ? 0.506 0.453 0.639 0.072  -0.100 -0.082 133 VAL LLL HG21 
5223 H HG22 . VAL B 133 ? 0.497 0.446 0.660 0.063  -0.100 -0.077 133 VAL LLL HG22 
5224 H HG23 . VAL B 133 ? 0.497 0.451 0.653 0.064  -0.105 -0.081 133 VAL LLL HG23 
5225 N N    . VAL B 134 ? 0.453 0.421 0.555 0.056  -0.066 -0.048 134 VAL LLL N    
5226 C CA   . VAL B 134 ? 0.468 0.443 0.567 0.050  -0.057 -0.040 134 VAL LLL CA   
5227 C C    . VAL B 134 ? 0.468 0.451 0.580 0.047  -0.053 -0.036 134 VAL LLL C    
5228 O O    . VAL B 134 ? 0.457 0.438 0.568 0.051  -0.051 -0.041 134 VAL LLL O    
5229 C CB   . VAL B 134 ? 0.480 0.449 0.554 0.054  -0.049 -0.041 134 VAL LLL CB   
5230 C CG1  . VAL B 134 ? 0.497 0.474 0.571 0.047  -0.039 -0.035 134 VAL LLL CG1  
5231 C CG2  . VAL B 134 ? 0.506 0.467 0.565 0.060  -0.055 -0.045 134 VAL LLL CG2  
5232 H H    . VAL B 134 ? 0.468 0.430 0.562 0.060  -0.063 -0.052 134 VAL LLL H    
5233 H HA   . VAL B 134 ? 0.458 0.438 0.565 0.047  -0.060 -0.036 134 VAL LLL HA   
5234 H HB   . VAL B 134 ? 0.496 0.460 0.563 0.057  -0.044 -0.046 134 VAL LLL HB   
5235 H HG11 . VAL B 134 ? 0.487 0.467 0.565 0.046  -0.033 -0.036 134 VAL LLL HG11 
5236 H HG12 . VAL B 134 ? 0.495 0.466 0.553 0.049  -0.034 -0.035 134 VAL LLL HG12 
5237 H HG13 . VAL B 134 ? 0.478 0.462 0.563 0.043  -0.043 -0.030 134 VAL LLL HG13 
5238 H HG21 . VAL B 134 ? 0.493 0.460 0.562 0.057  -0.060 -0.043 134 VAL LLL HG21 
5239 H HG22 . VAL B 134 ? 0.509 0.464 0.550 0.063  -0.048 -0.045 134 VAL LLL HG22 
5240 H HG23 . VAL B 134 ? 0.511 0.466 0.568 0.065  -0.061 -0.052 134 VAL LLL HG23 
5241 N N    . CYS B 135 ? 0.449 0.442 0.571 0.042  -0.052 -0.028 135 CYS LLL N    
5242 C CA   . CYS B 135 ? 0.461 0.462 0.592 0.041  -0.050 -0.025 135 CYS LLL CA   
5243 C C    . CYS B 135 ? 0.448 0.459 0.573 0.038  -0.042 -0.023 135 CYS LLL C    
5244 O O    . CYS B 135 ? 0.420 0.432 0.541 0.035  -0.042 -0.017 135 CYS LLL O    
5245 C CB   . CYS B 135 ? 0.510 0.512 0.654 0.041  -0.055 -0.018 135 CYS LLL CB   
5246 S SG   . CYS B 135 ? 0.583 0.593 0.736 0.045  -0.056 -0.016 135 CYS LLL SG   
5247 H H    . CYS B 135 ? 0.451 0.445 0.574 0.040  -0.054 -0.024 135 CYS LLL H    
5248 H HA   . CYS B 135 ? 0.469 0.470 0.601 0.044  -0.048 -0.030 135 CYS LLL HA   
5249 H HB2  . CYS B 135 ? 0.518 0.513 0.667 0.042  -0.059 -0.020 135 CYS LLL HB2  
5250 H HB3  . CYS B 135 ? 0.509 0.513 0.653 0.038  -0.055 -0.013 135 CYS LLL HB3  
5251 N N    . LEU B 136 ? 0.425 0.443 0.552 0.038  -0.035 -0.029 136 LEU LLL N    
5252 C CA   . LEU B 136 ? 0.438 0.466 0.564 0.035  -0.027 -0.030 136 LEU LLL CA   
5253 C C    . LEU B 136 ? 0.409 0.451 0.550 0.036  -0.031 -0.030 136 LEU LLL C    
5254 O O    . LEU B 136 ? 0.399 0.445 0.549 0.041  -0.034 -0.036 136 LEU LLL O    
5255 C CB   . LEU B 136 ? 0.460 0.482 0.578 0.034  -0.015 -0.038 136 LEU LLL CB   
5256 C CG   . LEU B 136 ? 0.481 0.514 0.606 0.029  -0.004 -0.043 136 LEU LLL CG   
5257 C CD1  . LEU B 136 ? 0.490 0.523 0.607 0.025  -0.003 -0.037 136 LEU LLL CD1  
5258 C CD2  . LEU B 136 ? 0.504 0.527 0.621 0.028  0.012  -0.052 136 LEU LLL CD2  
5259 H H    . LEU B 136 ? 0.439 0.456 0.569 0.041  -0.035 -0.033 136 LEU LLL H    
5260 H HA   . LEU B 136 ? 0.430 0.456 0.550 0.032  -0.027 -0.025 136 LEU LLL HA   
5261 H HB2  . LEU B 136 ? 0.469 0.481 0.574 0.034  -0.013 -0.037 136 LEU LLL HB2  
5262 H HB3  . LEU B 136 ? 0.467 0.488 0.589 0.037  -0.015 -0.043 136 LEU LLL HB3  
5263 H HG   . LEU B 136 ? 0.474 0.520 0.613 0.030  -0.007 -0.046 136 LEU LLL HG   
5264 H HD11 . LEU B 136 ? 0.477 0.518 0.600 0.025  -0.011 -0.033 136 LEU LLL HD11 
5265 H HD12 . LEU B 136 ? 0.485 0.523 0.605 0.021  0.005  -0.042 136 LEU LLL HD12 
5266 H HD13 . LEU B 136 ? 0.491 0.513 0.594 0.025  -0.002 -0.034 136 LEU LLL HD13 
5267 H HD21 . LEU B 136 ? 0.510 0.520 0.610 0.029  0.015  -0.049 136 LEU LLL HD21 
5268 H HD22 . LEU B 136 ? 0.499 0.530 0.623 0.024  0.020  -0.056 136 LEU LLL HD22 
5269 H HD23 . LEU B 136 ? 0.504 0.529 0.627 0.030  0.011  -0.056 136 LEU LLL HD23 
5270 N N    . LEU B 137 ? 0.384 0.435 0.526 0.035  -0.033 -0.025 137 LEU LLL N    
5271 C CA   . LEU B 137 ? 0.389 0.455 0.541 0.038  -0.036 -0.028 137 LEU LLL CA   
5272 C C    . LEU B 137 ? 0.410 0.487 0.566 0.033  -0.028 -0.035 137 LEU LLL C    
5273 O O    . LEU B 137 ? 0.391 0.466 0.538 0.029  -0.025 -0.030 137 LEU LLL O    
5274 C CB   . LEU B 137 ? 0.405 0.470 0.554 0.041  -0.043 -0.016 137 LEU LLL CB   
5275 C CG   . LEU B 137 ? 0.418 0.471 0.566 0.046  -0.050 -0.009 137 LEU LLL CG   
5276 C CD1  . LEU B 137 ? 0.437 0.477 0.583 0.042  -0.049 -0.008 137 LEU LLL CD1  
5277 C CD2  . LEU B 137 ? 0.430 0.480 0.573 0.049  -0.053 0.003  137 LEU LLL CD2  
5278 H H    . LEU B 137 ? 0.389 0.436 0.524 0.032  -0.032 -0.021 137 LEU LLL H    
5279 H HA   . LEU B 137 ? 0.398 0.467 0.558 0.042  -0.038 -0.033 137 LEU LLL HA   
5280 H HB2  . LEU B 137 ? 0.399 0.460 0.541 0.037  -0.041 -0.012 137 LEU LLL HB2  
5281 H HB3  . LEU B 137 ? 0.401 0.476 0.553 0.044  -0.045 -0.018 137 LEU LLL HB3  
5282 H HG   . LEU B 137 ? 0.425 0.482 0.579 0.052  -0.053 -0.013 137 LEU LLL HG   
5283 H HD11 . LEU B 137 ? 0.434 0.473 0.583 0.044  -0.048 -0.015 137 LEU LLL HD11 
5284 H HD12 . LEU B 137 ? 0.436 0.468 0.583 0.043  -0.052 -0.003 137 LEU LLL HD12 
5285 H HD13 . LEU B 137 ? 0.428 0.466 0.569 0.038  -0.045 -0.008 137 LEU LLL HD13 
5286 H HD21 . LEU B 137 ? 0.423 0.471 0.562 0.044  -0.050 0.006  137 LEU LLL HD21 
5287 H HD22 . LEU B 137 ? 0.435 0.476 0.578 0.052  -0.055 0.007  137 LEU LLL HD22 
5288 H HD23 . LEU B 137 ? 0.428 0.487 0.570 0.053  -0.055 0.001  137 LEU LLL HD23 
5289 N N    . ASN B 138 ? 0.400 0.489 0.570 0.034  -0.023 -0.048 138 ASN LLL N    
5290 C CA   . ASN B 138 ? 0.421 0.516 0.597 0.027  -0.011 -0.058 138 ASN LLL CA   
5291 C C    . ASN B 138 ? 0.404 0.522 0.598 0.030  -0.016 -0.067 138 ASN LLL C    
5292 O O    . ASN B 138 ? 0.383 0.513 0.591 0.037  -0.023 -0.075 138 ASN LLL O    
5293 C CB   . ASN B 138 ? 0.463 0.554 0.644 0.024  0.001  -0.068 138 ASN LLL CB   
5294 C CG   . ASN B 138 ? 0.495 0.578 0.670 0.015  0.018  -0.071 138 ASN LLL CG   
5295 O OD1  . ASN B 138 ? 0.513 0.585 0.671 0.013  0.020  -0.062 138 ASN LLL OD1  
5296 N ND2  . ASN B 138 ? 0.497 0.582 0.684 0.011  0.033  -0.084 138 ASN LLL ND2  
5297 H H    . ASN B 138 ? 0.410 0.502 0.587 0.038  -0.027 -0.052 138 ASN LLL H    
5298 H HA   . ASN B 138 ? 0.421 0.508 0.585 0.023  -0.008 -0.052 138 ASN LLL HA   
5299 H HB2  . ASN B 138 ? 0.465 0.545 0.638 0.026  -0.000 -0.064 138 ASN LLL HB2  
5300 H HB3  . ASN B 138 ? 0.459 0.563 0.656 0.026  0.000  -0.077 138 ASN LLL HB3  
5303 N N    . ASN B 139 ? 0.383 0.505 0.575 0.025  -0.013 -0.067 139 ASN LLL N    
5304 C CA   . ASN B 139 ? 0.380 0.523 0.591 0.025  -0.013 -0.081 139 ASN LLL CA   
5305 C C    . ASN B 139 ? 0.362 0.520 0.577 0.037  -0.030 -0.081 139 ASN LLL C    
5306 O O    . ASN B 139 ? 0.339 0.515 0.573 0.043  -0.035 -0.095 139 ASN LLL O    
5307 C CB   . ASN B 139 ? 0.409 0.563 0.643 0.019  -0.001 -0.099 139 ASN LLL CB   
5308 C CG   . ASN B 139 ? 0.449 0.585 0.674 0.008  0.019  -0.098 139 ASN LLL CG   
5309 O OD1  . ASN B 139 ? 0.453 0.571 0.654 0.005  0.021  -0.084 139 ASN LLL OD1  
5310 N ND2  . ASN B 139 ? 0.489 0.627 0.731 0.002  0.034  -0.111 139 ASN LLL ND2  
5311 H H    . ASN B 139 ? 0.387 0.499 0.566 0.022  -0.011 -0.059 139 ASN LLL H    
5312 H HA   . ASN B 139 ? 0.380 0.521 0.585 0.020  -0.009 -0.078 139 ASN LLL HA   
5313 H HB2  . ASN B 139 ? 0.412 0.566 0.651 0.023  -0.003 -0.102 139 ASN LLL HB2  
5314 H HB3  . ASN B 139 ? 0.407 0.577 0.657 0.020  -0.003 -0.110 139 ASN LLL HB3  
5317 N N    . PHE B 140 ? 0.349 0.498 0.544 0.042  -0.038 -0.065 140 PHE LLL N    
5318 C CA   . PHE B 140 ? 0.368 0.523 0.558 0.056  -0.053 -0.062 140 PHE LLL CA   
5319 C C    . PHE B 140 ? 0.357 0.518 0.540 0.058  -0.056 -0.059 140 PHE LLL C    
5320 O O    . PHE B 140 ? 0.341 0.496 0.518 0.048  -0.048 -0.054 140 PHE LLL O    
5321 C CB   . PHE B 140 ? 0.362 0.498 0.537 0.061  -0.057 -0.045 140 PHE LLL CB   
5322 C CG   . PHE B 140 ? 0.358 0.476 0.517 0.053  -0.052 -0.030 140 PHE LLL CG   
5323 C CD1  . PHE B 140 ? 0.364 0.478 0.509 0.057  -0.055 -0.018 140 PHE LLL CD1  
5324 C CD2  . PHE B 140 ? 0.368 0.474 0.524 0.044  -0.044 -0.027 140 PHE LLL CD2  
5325 C CE1  . PHE B 140 ? 0.351 0.452 0.485 0.050  -0.050 -0.006 140 PHE LLL CE1  
5326 C CE2  . PHE B 140 ? 0.349 0.441 0.493 0.039  -0.041 -0.015 140 PHE LLL CE2  
5327 C CZ   . PHE B 140 ? 0.354 0.444 0.488 0.041  -0.044 -0.005 140 PHE LLL CZ   
5328 H H    . PHE B 140 ? 0.354 0.492 0.538 0.037  -0.034 -0.056 140 PHE LLL H    
5329 H HA   . PHE B 140 ? 0.363 0.531 0.567 0.061  -0.057 -0.073 140 PHE LLL HA   
5330 H HB2  . PHE B 140 ? 0.372 0.510 0.543 0.071  -0.065 -0.043 140 PHE LLL HB2  
5331 H HB3  . PHE B 140 ? 0.366 0.499 0.546 0.060  -0.055 -0.049 140 PHE LLL HB3  
5332 H HD1  . PHE B 140 ? 0.366 0.488 0.510 0.064  -0.061 -0.020 140 PHE LLL HD1  
5333 H HD2  . PHE B 140 ? 0.360 0.466 0.523 0.042  -0.041 -0.034 140 PHE LLL HD2  
5334 H HE1  . PHE B 140 ? 0.359 0.457 0.485 0.052  -0.052 0.001  140 PHE LLL HE1  
5335 H HE2  . PHE B 140 ? 0.354 0.437 0.495 0.034  -0.037 -0.014 140 PHE LLL HE2  
5336 H HZ   . PHE B 140 ? 0.351 0.433 0.479 0.037  -0.042 0.002  140 PHE LLL HZ   
5337 N N    . TYR B 141 ? 0.373 0.544 0.553 0.073  -0.069 -0.061 141 TYR LLL N    
5338 C CA   . TYR B 141 ? 0.399 0.574 0.567 0.079  -0.074 -0.057 141 TYR LLL CA   
5339 C C    . TYR B 141 ? 0.425 0.597 0.577 0.098  -0.087 -0.051 141 TYR LLL C    
5340 O O    . TYR B 141 ? 0.460 0.642 0.621 0.110  -0.095 -0.062 141 TYR LLL O    
5341 C CB   . TYR B 141 ? 0.405 0.603 0.591 0.078  -0.075 -0.077 141 TYR LLL CB   
5342 C CG   . TYR B 141 ? 0.432 0.634 0.605 0.084  -0.081 -0.074 141 TYR LLL CG   
5343 C CD1  . TYR B 141 ? 0.431 0.624 0.595 0.072  -0.071 -0.066 141 TYR LLL CD1  
5344 C CD2  . TYR B 141 ? 0.453 0.664 0.616 0.103  -0.095 -0.077 141 TYR LLL CD2  
5345 C CE1  . TYR B 141 ? 0.470 0.666 0.621 0.078  -0.075 -0.062 141 TYR LLL CE1  
5346 C CE2  . TYR B 141 ? 0.465 0.676 0.611 0.110  -0.099 -0.073 141 TYR LLL CE2  
5347 C CZ   . TYR B 141 ? 0.479 0.684 0.621 0.096  -0.089 -0.066 141 TYR LLL CZ   
5348 O OH   . TYR B 141 ? 0.509 0.716 0.636 0.102  -0.092 -0.062 141 TYR LLL OH   
5349 H H    . TYR B 141 ? 0.382 0.557 0.566 0.081  -0.075 -0.065 141 TYR LLL H    
5350 H HA   . TYR B 141 ? 0.396 0.559 0.552 0.073  -0.069 -0.046 141 TYR LLL HA   
5351 H HB2  . TYR B 141 ? 0.398 0.597 0.595 0.066  -0.066 -0.082 141 TYR LLL HB2  
5352 H HB3  . TYR B 141 ? 0.411 0.623 0.610 0.086  -0.082 -0.090 141 TYR LLL HB3  
5353 H HD1  . TYR B 141 ? 0.430 0.616 0.598 0.061  -0.062 -0.064 141 TYR LLL HD1  
5354 H HD2  . TYR B 141 ? 0.461 0.677 0.628 0.113  -0.102 -0.083 141 TYR LLL HD2  
5355 H HE1  . TYR B 141 ? 0.454 0.644 0.600 0.070  -0.069 -0.058 141 TYR LLL HE1  
5356 H HE2  . TYR B 141 ? 0.483 0.699 0.620 0.125  -0.109 -0.076 141 TYR LLL HE2  
5358 N N    . PRO B 142 ? 0.448 0.606 0.575 0.105  -0.088 -0.034 142 PRO LLL N    
5359 C CA   . PRO B 142 ? 0.414 0.564 0.532 0.093  -0.080 -0.024 142 PRO LLL CA   
5360 C C    . PRO B 142 ? 0.419 0.549 0.533 0.080  -0.069 -0.009 142 PRO LLL C    
5361 O O    . PRO B 142 ? 0.409 0.533 0.530 0.078  -0.068 -0.009 142 PRO LLL O    
5362 C CB   . PRO B 142 ? 0.440 0.583 0.534 0.108  -0.085 -0.012 142 PRO LLL CB   
5363 C CG   . PRO B 142 ? 0.470 0.603 0.553 0.124  -0.092 -0.007 142 PRO LLL CG   
5364 C CD   . PRO B 142 ? 0.467 0.616 0.573 0.125  -0.098 -0.026 142 PRO LLL CD   
5365 H HA   . PRO B 142 ? 0.413 0.575 0.542 0.087  -0.078 -0.033 142 PRO LLL HA   
5366 H HB2  . PRO B 142 ? 0.441 0.572 0.524 0.103  -0.079 0.000  142 PRO LLL HB2  
5367 H HB3  . PRO B 142 ? 0.443 0.598 0.537 0.114  -0.090 -0.021 142 PRO LLL HB3  
5368 H HG2  . PRO B 142 ? 0.472 0.588 0.549 0.120  -0.086 0.005  142 PRO LLL HG2  
5369 H HG3  . PRO B 142 ? 0.485 0.617 0.553 0.137  -0.098 -0.005 142 PRO LLL HG3  
5370 H HD2  . PRO B 142 ? 0.473 0.613 0.578 0.128  -0.098 -0.022 142 PRO LLL HD2  
5371 H HD3  . PRO B 142 ? 0.474 0.637 0.582 0.136  -0.106 -0.037 142 PRO LLL HD3  
5372 N N    . ARG B 143 ? 0.453 0.577 0.559 0.072  -0.063 -0.000 143 ARG LLL N    
5373 C CA   . ARG B 143 ? 0.487 0.597 0.592 0.059  -0.054 0.009  143 ARG LLL CA   
5374 C C    . ARG B 143 ? 0.484 0.577 0.583 0.062  -0.054 0.022  143 ARG LLL C    
5375 O O    . ARG B 143 ? 0.467 0.550 0.572 0.053  -0.049 0.025  143 ARG LLL O    
5376 C CB   . ARG B 143 ? 0.500 0.610 0.598 0.054  -0.049 0.015  143 ARG LLL CB   
5377 C CG   . ARG B 143 ? 0.516 0.614 0.613 0.042  -0.042 0.021  143 ARG LLL CG   
5378 C CD   . ARG B 143 ? 0.538 0.638 0.628 0.038  -0.038 0.024  143 ARG LLL CD   
5379 N NE   . ARG B 143 ? 0.601 0.693 0.691 0.029  -0.033 0.026  143 ARG LLL NE   
5380 C CZ   . ARG B 143 ? 0.619 0.701 0.709 0.027  -0.032 0.035  143 ARG LLL CZ   
5381 N NH1  . ARG B 143 ? 0.577 0.654 0.666 0.032  -0.033 0.044  143 ARG LLL NH1  
5382 N NH2  . ARG B 143 ? 0.649 0.725 0.738 0.021  -0.029 0.034  143 ARG LLL NH2  
5383 H H    . ARG B 143 ? 0.455 0.583 0.554 0.075  -0.064 0.000  143 ARG LLL H    
5384 H HA   . ARG B 143 ? 0.471 0.584 0.587 0.053  -0.051 0.002  143 ARG LLL HA   
5385 H HB2  . ARG B 143 ? 0.497 0.617 0.598 0.053  -0.050 0.006  143 ARG LLL HB2  
5386 H HB3  . ARG B 143 ? 0.510 0.616 0.598 0.060  -0.051 0.022  143 ARG LLL HB3  
5387 H HG2  . ARG B 143 ? 0.520 0.610 0.616 0.043  -0.042 0.028  143 ARG LLL HG2  
5388 H HG3  . ARG B 143 ? 0.510 0.610 0.615 0.037  -0.040 0.014  143 ARG LLL HG3  
5389 H HD2  . ARG B 143 ? 0.544 0.653 0.636 0.039  -0.039 0.016  143 ARG LLL HD2  
5390 H HD3  . ARG B 143 ? 0.553 0.651 0.636 0.043  -0.039 0.032  143 ARG LLL HD3  
5391 H HE   . ARG B 143 ? 0.584 0.678 0.676 0.025  -0.030 0.020  143 ARG LLL HE   
5392 H HH11 . ARG B 143 ? 0.599 0.678 0.685 0.038  -0.035 0.045  143 ARG LLL HH11 
5393 H HH12 . ARG B 143 ? 0.595 0.666 0.687 0.030  -0.031 0.048  143 ARG LLL HH12 
5394 H HH21 . ARG B 143 ? 0.630 0.707 0.718 0.019  -0.027 0.029  143 ARG LLL HH21 
5395 H HH22 . ARG B 143 ? 0.634 0.705 0.725 0.020  -0.029 0.038  143 ARG LLL HH22 
5396 N N    . GLU B 144 ? 0.500 0.586 0.586 0.074  -0.057 0.031  144 GLU LLL N    
5397 C CA   . GLU B 144 ? 0.549 0.615 0.627 0.077  -0.054 0.045  144 GLU LLL CA   
5398 C C    . GLU B 144 ? 0.535 0.597 0.624 0.078  -0.057 0.040  144 GLU LLL C    
5399 O O    . GLU B 144 ? 0.480 0.550 0.571 0.087  -0.064 0.031  144 GLU LLL O    
5400 C CB   . GLU B 144 ? 0.614 0.673 0.672 0.094  -0.057 0.053  144 GLU LLL CB   
5401 C CG   . GLU B 144 ? 0.700 0.759 0.744 0.095  -0.053 0.061  144 GLU LLL CG   
5402 C CD   . GLU B 144 ? 0.736 0.816 0.785 0.092  -0.056 0.049  144 GLU LLL CD   
5403 O OE1  . GLU B 144 ? 0.706 0.801 0.757 0.100  -0.065 0.036  144 GLU LLL OE1  
5404 O OE2  . GLU B 144 ? 0.761 0.842 0.812 0.081  -0.049 0.053  144 GLU LLL OE2  
5405 H H    . GLU B 144 ? 0.514 0.608 0.595 0.082  -0.061 0.028  144 GLU LLL H    
5406 H HA   . GLU B 144 ? 0.543 0.603 0.622 0.070  -0.048 0.051  144 GLU LLL HA   
5407 H HB2  . GLU B 144 ? 0.625 0.693 0.683 0.103  -0.064 0.045  144 GLU LLL HB2  
5408 H HB3  . GLU B 144 ? 0.635 0.678 0.688 0.097  -0.054 0.062  144 GLU LLL HB3  
5409 H HG2  . GLU B 144 ? 0.711 0.762 0.740 0.107  -0.054 0.066  144 GLU LLL HG2  
5410 H HG3  . GLU B 144 ? 0.689 0.739 0.735 0.087  -0.045 0.068  144 GLU LLL HG3  
5411 N N    . ALA B 145 ? 0.551 0.601 0.647 0.068  -0.052 0.044  145 ALA LLL N    
5412 C CA   . ALA B 145 ? 0.542 0.586 0.647 0.068  -0.054 0.040  145 ALA LLL CA   
5413 C C    . ALA B 145 ? 0.551 0.577 0.660 0.062  -0.048 0.049  145 ALA LLL C    
5414 O O    . ALA B 145 ? 0.545 0.569 0.654 0.054  -0.043 0.055  145 ALA LLL O    
5415 C CB   . ALA B 145 ? 0.538 0.595 0.656 0.061  -0.055 0.026  145 ALA LLL CB   
5416 H H    . ALA B 145 ? 0.538 0.586 0.636 0.061  -0.048 0.048  145 ALA LLL H    
5417 H HA   . ALA B 145 ? 0.559 0.601 0.659 0.078  -0.058 0.040  145 ALA LLL HA   
5418 H HB1  . ALA B 145 ? 0.536 0.589 0.659 0.062  -0.057 0.023  145 ALA LLL HB1  
5419 H HB2  . ALA B 145 ? 0.531 0.600 0.649 0.065  -0.058 0.019  145 ALA LLL HB2  
5420 H HB3  . ALA B 145 ? 0.525 0.582 0.645 0.053  -0.051 0.026  145 ALA LLL HB3  
5421 N N    . LYS B 146 ? 0.559 0.573 0.672 0.065  -0.050 0.050  146 LYS LLL N    
5422 C CA   . LYS B 146 ? 0.576 0.573 0.696 0.058  -0.044 0.056  146 LYS LLL CA   
5423 C C    . LYS B 146 ? 0.556 0.552 0.688 0.055  -0.048 0.046  146 LYS LLL C    
5424 O O    . LYS B 146 ? 0.564 0.562 0.695 0.063  -0.053 0.041  146 LYS LLL O    
5425 C CB   . LYS B 146 ? 0.631 0.608 0.741 0.067  -0.040 0.069  146 LYS LLL CB   
5426 C CG   . LYS B 146 ? 0.720 0.678 0.840 0.058  -0.031 0.075  146 LYS LLL CG   
5427 C CD   . LYS B 146 ? 0.821 0.754 0.934 0.067  -0.027 0.084  146 LYS LLL CD   
5428 C CE   . LYS B 146 ? 0.874 0.789 1.005 0.057  -0.017 0.087  146 LYS LLL CE   
5429 N NZ   . LYS B 146 ? 0.959 0.845 1.080 0.065  -0.008 0.099  146 LYS LLL NZ   
5430 H H    . LYS B 146 ? 0.566 0.582 0.678 0.071  -0.054 0.045  146 LYS LLL H    
5431 H HA   . LYS B 146 ? 0.569 0.568 0.693 0.051  -0.041 0.057  146 LYS LLL HA   
5432 H HB2  . LYS B 146 ? 0.646 0.624 0.745 0.070  -0.038 0.074  146 LYS LLL HB2  
5433 H HB3  . LYS B 146 ? 0.651 0.624 0.756 0.075  -0.044 0.067  146 LYS LLL HB3  
5434 H HG2  . LYS B 146 ? 0.704 0.666 0.837 0.052  -0.034 0.068  146 LYS LLL HG2  
5435 H HG3  . LYS B 146 ? 0.715 0.673 0.836 0.054  -0.025 0.080  146 LYS LLL HG3  
5436 H HD2  . LYS B 146 ? 0.828 0.754 0.926 0.075  -0.023 0.093  146 LYS LLL HD2  
5437 H HD3  . LYS B 146 ? 0.815 0.748 0.926 0.073  -0.033 0.079  146 LYS LLL HD3  
5438 H HE2  . LYS B 146 ? 0.865 0.784 1.008 0.052  -0.022 0.079  146 LYS LLL HE2  
5439 H HE3  . LYS B 146 ? 0.869 0.787 1.005 0.049  -0.012 0.089  146 LYS LLL HE3  
5440 H HZ1  . LYS B 146 ? 0.956 0.835 1.063 0.069  -0.003 0.108  146 LYS LLL HZ1  
5441 H HZ2  . LYS B 146 ? 0.948 0.824 1.082 0.057  -0.002 0.099  146 LYS LLL HZ2  
5442 H HZ3  . LYS B 146 ? 0.950 0.833 1.063 0.073  -0.014 0.097  146 LYS LLL HZ3  
5443 N N    . VAL B 147 ? 0.512 0.506 0.656 0.045  -0.047 0.043  147 VAL LLL N    
5444 C CA   . VAL B 147 ? 0.530 0.519 0.683 0.043  -0.050 0.034  147 VAL LLL CA   
5445 C C    . VAL B 147 ? 0.545 0.517 0.709 0.039  -0.047 0.038  147 VAL LLL C    
5446 O O    . VAL B 147 ? 0.544 0.514 0.715 0.032  -0.042 0.042  147 VAL LLL O    
5447 C CB   . VAL B 147 ? 0.549 0.548 0.705 0.036  -0.052 0.024  147 VAL LLL CB   
5448 C CG1  . VAL B 147 ? 0.559 0.551 0.724 0.035  -0.055 0.016  147 VAL LLL CG1  
5449 C CG2  . VAL B 147 ? 0.551 0.564 0.699 0.039  -0.052 0.019  147 VAL LLL CG2  
5450 H H    . VAL B 147 ? 0.520 0.515 0.665 0.040  -0.044 0.045  147 VAL LLL H    
5451 H HA   . VAL B 147 ? 0.536 0.526 0.688 0.049  -0.053 0.031  147 VAL LLL HA   
5452 H HB   . VAL B 147 ? 0.542 0.542 0.699 0.032  -0.049 0.027  147 VAL LLL HB   
5453 H HG11 . VAL B 147 ? 0.560 0.546 0.732 0.031  -0.055 0.017  147 VAL LLL HG11 
5454 H HG12 . VAL B 147 ? 0.551 0.548 0.712 0.034  -0.056 0.009  147 VAL LLL HG12 
5455 H HG13 . VAL B 147 ? 0.564 0.551 0.730 0.039  -0.057 0.015  147 VAL LLL HG13 
5456 H HG21 . VAL B 147 ? 0.551 0.564 0.699 0.043  -0.054 0.015  147 VAL LLL HG21 
5457 H HG22 . VAL B 147 ? 0.541 0.557 0.688 0.035  -0.052 0.013  147 VAL LLL HG22 
5458 H HG23 . VAL B 147 ? 0.545 0.563 0.689 0.039  -0.051 0.023  147 VAL LLL HG23 
5459 N N    . GLN B 148 ? 0.562 0.522 0.731 0.043  -0.049 0.036  148 GLN LLL N    
5460 C CA   . GLN B 148 ? 0.587 0.530 0.771 0.039  -0.045 0.037  148 GLN LLL CA   
5461 C C    . GLN B 148 ? 0.535 0.479 0.727 0.038  -0.053 0.024  148 GLN LLL C    
5462 O O    . GLN B 148 ? 0.533 0.478 0.720 0.045  -0.057 0.020  148 GLN LLL O    
5463 C CB   . GLN B 148 ? 0.667 0.590 0.843 0.046  -0.040 0.048  148 GLN LLL CB   
5464 C CG   . GLN B 148 ? 0.752 0.653 0.943 0.043  -0.035 0.049  148 GLN LLL CG   
5465 C CD   . GLN B 148 ? 0.808 0.703 1.014 0.031  -0.025 0.053  148 GLN LLL CD   
5466 O OE1  . GLN B 148 ? 0.900 0.792 1.098 0.031  -0.017 0.064  148 GLN LLL OE1  
5467 N NE2  . GLN B 148 ? 0.777 0.673 1.007 0.022  -0.027 0.041  148 GLN LLL NE2  
5468 H H    . GLN B 148 ? 0.564 0.527 0.729 0.049  -0.052 0.033  148 GLN LLL H    
5469 H HA   . GLN B 148 ? 0.582 0.526 0.773 0.032  -0.042 0.039  148 GLN LLL HA   
5470 H HB2  . GLN B 148 ? 0.673 0.594 0.841 0.047  -0.035 0.057  148 GLN LLL HB2  
5471 H HB3  . GLN B 148 ? 0.670 0.595 0.837 0.054  -0.045 0.047  148 GLN LLL HB3  
5472 H HG2  . GLN B 148 ? 0.765 0.652 0.948 0.050  -0.032 0.056  148 GLN LLL HG2  
5473 H HG3  . GLN B 148 ? 0.742 0.646 0.942 0.041  -0.040 0.040  148 GLN LLL HG3  
5476 N N    . TRP B 149 ? 0.500 0.446 0.707 0.030  -0.054 0.016  149 TRP LLL N    
5477 C CA   . TRP B 149 ? 0.499 0.443 0.714 0.031  -0.061 0.003  149 TRP LLL CA   
5478 C C    . TRP B 149 ? 0.522 0.447 0.751 0.030  -0.059 0.003  149 TRP LLL C    
5479 O O    . TRP B 149 ? 0.505 0.419 0.746 0.025  -0.051 0.010  149 TRP LLL O    
5480 C CB   . TRP B 149 ? 0.481 0.434 0.702 0.026  -0.065 -0.007 149 TRP LLL CB   
5481 C CG   . TRP B 149 ? 0.445 0.413 0.649 0.028  -0.067 -0.009 149 TRP LLL CG   
5482 C CD1  . TRP B 149 ? 0.448 0.424 0.645 0.025  -0.064 -0.005 149 TRP LLL CD1  
5483 C CD2  . TRP B 149 ? 0.454 0.425 0.644 0.034  -0.071 -0.018 149 TRP LLL CD2  
5484 N NE1  . TRP B 149 ? 0.460 0.445 0.641 0.028  -0.066 -0.009 149 TRP LLL NE1  
5485 C CE2  . TRP B 149 ? 0.454 0.435 0.629 0.033  -0.069 -0.016 149 TRP LLL CE2  
5486 C CE3  . TRP B 149 ? 0.466 0.432 0.654 0.039  -0.075 -0.026 149 TRP LLL CE3  
5487 C CZ2  . TRP B 149 ? 0.432 0.416 0.591 0.038  -0.068 -0.023 149 TRP LLL CZ2  
5488 C CZ3  . TRP B 149 ? 0.470 0.441 0.642 0.044  -0.074 -0.032 149 TRP LLL CZ3  
5489 C CH2  . TRP B 149 ? 0.459 0.437 0.616 0.043  -0.071 -0.030 149 TRP LLL CH2  
5490 H H    . TRP B 149 ? 0.504 0.452 0.716 0.025  -0.051 0.017  149 TRP LLL H    
5491 H HA   . TRP B 149 ? 0.495 0.444 0.700 0.036  -0.064 0.000  149 TRP LLL HA   
5492 H HB2  . TRP B 149 ? 0.478 0.431 0.709 0.021  -0.062 -0.005 149 TRP LLL HB2  
5493 H HB3  . TRP B 149 ? 0.482 0.432 0.710 0.027  -0.070 -0.016 149 TRP LLL HB3  
5494 H HD1  . TRP B 149 ? 0.450 0.426 0.653 0.021  -0.061 0.001  149 TRP LLL HD1  
5495 H HE1  . TRP B 149 ? 0.446 0.436 0.620 0.027  -0.064 -0.007 149 TRP LLL HE1  
5496 H HE3  . TRP B 149 ? 0.474 0.432 0.670 0.040  -0.076 -0.027 149 TRP LLL HE3  
5497 H HZ2  . TRP B 149 ? 0.437 0.426 0.587 0.037  -0.065 -0.022 149 TRP LLL HZ2  
5498 H HZ3  . TRP B 149 ? 0.473 0.440 0.643 0.048  -0.076 -0.037 149 TRP LLL HZ3  
5499 H HH2  . TRP B 149 ? 0.457 0.435 0.603 0.046  -0.068 -0.034 149 TRP LLL HH2  
5500 N N    . LYS B 150 ? 0.518 0.438 0.746 0.036  -0.065 -0.005 150 LYS LLL N    
5501 C CA   . LYS B 150 ? 0.558 0.461 0.801 0.036  -0.065 -0.009 150 LYS LLL CA   
5502 C C    . LYS B 150 ? 0.547 0.454 0.796 0.038  -0.075 -0.026 150 LYS LLL C    
5503 O O    . LYS B 150 ? 0.564 0.480 0.798 0.044  -0.080 -0.031 150 LYS LLL O    
5504 C CB   . LYS B 150 ? 0.617 0.507 0.849 0.045  -0.062 0.000  150 LYS LLL CB   
5505 C CG   . LYS B 150 ? 0.669 0.548 0.893 0.046  -0.053 0.017  150 LYS LLL CG   
5506 C CD   . LYS B 150 ? 0.737 0.607 0.943 0.059  -0.053 0.024  150 LYS LLL CD   
5507 C CE   . LYS B 150 ? 0.806 0.668 0.997 0.064  -0.045 0.040  150 LYS LLL CE   
5508 N NZ   . LYS B 150 ? 0.855 0.708 1.027 0.080  -0.047 0.046  150 LYS LLL NZ   
5509 H H    . LYS B 150 ? 0.519 0.447 0.738 0.040  -0.069 -0.009 150 LYS LLL H    
5510 H HA   . LYS B 150 ? 0.566 0.462 0.821 0.030  -0.060 -0.007 150 LYS LLL HA   
5511 H HB2  . LYS B 150 ? 0.608 0.507 0.829 0.051  -0.066 -0.002 150 LYS LLL HB2  
5512 H HB3  . LYS B 150 ? 0.627 0.505 0.867 0.046  -0.063 -0.004 150 LYS LLL HB3  
5513 H HG2  . LYS B 150 ? 0.682 0.549 0.917 0.041  -0.047 0.019  150 LYS LLL HG2  
5514 H HG3  . LYS B 150 ? 0.659 0.550 0.877 0.044  -0.052 0.020  150 LYS LLL HG3  
5515 H HD2  . LYS B 150 ? 0.725 0.609 0.924 0.064  -0.059 0.019  150 LYS LLL HD2  
5516 H HD3  . LYS B 150 ? 0.751 0.606 0.962 0.062  -0.052 0.023  150 LYS LLL HD3  
5517 H HE2  . LYS B 150 ? 0.812 0.659 1.010 0.059  -0.037 0.046  150 LYS LLL HE2  
5518 H HE3  . LYS B 150 ? 0.785 0.661 0.971 0.061  -0.045 0.041  150 LYS LLL HE3  
5519 H HZ1  . LYS B 150 ? 0.834 0.701 1.003 0.084  -0.054 0.040  150 LYS LLL HZ1  
5520 H HZ2  . LYS B 150 ? 0.854 0.702 1.013 0.084  -0.043 0.055  150 LYS LLL HZ2  
5521 H HZ3  . LYS B 150 ? 0.862 0.698 1.036 0.082  -0.045 0.047  150 LYS LLL HZ3  
5522 N N    . VAL B 151 ? 0.555 0.451 0.826 0.033  -0.076 -0.034 151 VAL LLL N    
5523 C CA   . VAL B 151 ? 0.557 0.453 0.836 0.036  -0.086 -0.051 151 VAL LLL CA   
5524 C C    . VAL B 151 ? 0.579 0.454 0.873 0.036  -0.083 -0.052 151 VAL LLL C    
5525 O O    . VAL B 151 ? 0.561 0.423 0.874 0.028  -0.075 -0.048 151 VAL LLL O    
5526 C CB   . VAL B 151 ? 0.549 0.454 0.843 0.030  -0.091 -0.064 151 VAL LLL CB   
5527 C CG1  . VAL B 151 ? 0.552 0.459 0.852 0.036  -0.103 -0.084 151 VAL LLL CG1  
5528 C CG2  . VAL B 151 ? 0.529 0.452 0.808 0.030  -0.092 -0.060 151 VAL LLL CG2  
5529 H H    . VAL B 151 ? 0.563 0.450 0.845 0.028  -0.070 -0.030 151 VAL LLL H    
5530 H HA   . VAL B 151 ? 0.553 0.454 0.817 0.042  -0.090 -0.054 151 VAL LLL HA   
5531 H HB   . VAL B 151 ? 0.554 0.454 0.867 0.023  -0.086 -0.063 151 VAL LLL HB   
5532 H HG11 . VAL B 151 ? 0.565 0.460 0.878 0.034  -0.103 -0.087 151 VAL LLL HG11 
5533 H HG12 . VAL B 151 ? 0.550 0.464 0.857 0.034  -0.108 -0.092 151 VAL LLL HG12 
5534 H HG13 . VAL B 151 ? 0.551 0.460 0.832 0.043  -0.106 -0.084 151 VAL LLL HG13 
5535 H HG21 . VAL B 151 ? 0.526 0.453 0.787 0.036  -0.094 -0.061 151 VAL LLL HG21 
5536 H HG22 . VAL B 151 ? 0.528 0.457 0.816 0.028  -0.096 -0.069 151 VAL LLL HG22 
5537 H HG23 . VAL B 151 ? 0.527 0.449 0.803 0.027  -0.084 -0.049 151 VAL LLL HG23 
5538 N N    . ASP B 152 ? 0.607 0.477 0.891 0.045  -0.088 -0.056 152 ASP LLL N    
5539 C CA   . ASP B 152 ? 0.650 0.498 0.940 0.048  -0.086 -0.055 152 ASP LLL CA   
5540 C C    . ASP B 152 ? 0.659 0.490 0.948 0.046  -0.073 -0.036 152 ASP LLL C    
5541 O O    . ASP B 152 ? 0.654 0.463 0.958 0.042  -0.066 -0.034 152 ASP LLL O    
5542 C CB   . ASP B 152 ? 0.669 0.508 0.983 0.045  -0.091 -0.072 152 ASP LLL CB   
5543 C CG   . ASP B 152 ? 0.662 0.514 0.968 0.052  -0.104 -0.088 152 ASP LLL CG   
5544 O OD1  . ASP B 152 ? 0.671 0.528 0.955 0.061  -0.106 -0.085 152 ASP LLL OD1  
5545 O OD2  . ASP B 152 ? 0.700 0.556 1.021 0.050  -0.111 -0.104 152 ASP LLL OD2  
5546 H H    . ASP B 152 ? 0.600 0.478 0.872 0.050  -0.093 -0.061 152 ASP LLL H    
5547 H HA   . ASP B 152 ? 0.646 0.496 0.923 0.056  -0.089 -0.055 152 ASP LLL HA   
5548 H HB2  . ASP B 152 ? 0.666 0.507 0.996 0.037  -0.089 -0.075 152 ASP LLL HB2  
5549 H HB3  . ASP B 152 ? 0.683 0.506 1.002 0.046  -0.088 -0.070 152 ASP LLL HB3  
5550 N N    . ASN B 153 ? 0.650 0.491 0.920 0.049  -0.069 -0.024 153 ASN LLL N    
5551 C CA   . ASN B 153 ? 0.676 0.502 0.935 0.052  -0.059 -0.005 153 ASN LLL CA   
5552 C C    . ASN B 153 ? 0.686 0.503 0.960 0.040  -0.047 0.001  153 ASN LLL C    
5553 O O    . ASN B 153 ? 0.726 0.529 0.989 0.042  -0.037 0.017  153 ASN LLL O    
5554 C CB   . ASN B 153 ? 0.714 0.517 0.966 0.062  -0.057 -0.000 153 ASN LLL CB   
5555 C CG   . ASN B 153 ? 0.716 0.531 0.947 0.075  -0.065 -0.002 153 ASN LLL CG   
5556 O OD1  . ASN B 153 ? 0.744 0.576 0.961 0.079  -0.067 0.003  153 ASN LLL OD1  
5557 N ND2  . ASN B 153 ? 0.713 0.520 0.945 0.083  -0.071 -0.009 153 ASN LLL ND2  
5558 H H    . ASN B 153 ? 0.638 0.494 0.898 0.051  -0.074 -0.026 153 ASN LLL H    
5559 H HA   . ASN B 153 ? 0.666 0.504 0.911 0.056  -0.060 -0.001 153 ASN LLL HA   
5560 H HB2  . ASN B 153 ? 0.721 0.515 0.986 0.060  -0.058 -0.008 153 ASN LLL HB2  
5561 H HB3  . ASN B 153 ? 0.729 0.516 0.976 0.063  -0.048 0.011  153 ASN LLL HB3  
5564 N N    . ALA B 154 ? 0.665 0.492 0.963 0.029  -0.050 -0.011 154 ALA LLL N    
5565 C CA   . ALA B 154 ? 0.642 0.467 0.958 0.017  -0.039 -0.008 154 ALA LLL CA   
5566 C C    . ALA B 154 ? 0.636 0.483 0.937 0.017  -0.040 -0.002 154 ALA LLL C    
5567 O O    . ALA B 154 ? 0.583 0.452 0.878 0.019  -0.052 -0.011 154 ALA LLL O    
5568 C CB   . ALA B 154 ? 0.641 0.472 0.991 0.007  -0.044 -0.027 154 ALA LLL CB   
5569 H H    . ALA B 154 ? 0.654 0.489 0.959 0.029  -0.058 -0.023 154 ALA LLL H    
5570 H HA   . ALA B 154 ? 0.669 0.475 0.985 0.016  -0.028 0.002  154 ALA LLL HA   
5571 H HB1  . ALA B 154 ? 0.646 0.473 1.011 -0.001 -0.035 -0.026 154 ALA LLL HB1  
5572 H HB2  . ALA B 154 ? 0.653 0.472 1.010 0.009  -0.045 -0.033 154 ALA LLL HB2  
5573 H HB3  . ALA B 154 ? 0.624 0.473 0.972 0.009  -0.053 -0.036 154 ALA LLL HB3  
5574 N N    . LEU B 155 ? 0.647 0.486 0.942 0.015  -0.027 0.014  155 LEU LLL N    
5575 C CA   . LEU B 155 ? 0.668 0.526 0.950 0.014  -0.026 0.021  155 LEU LLL CA   
5576 C C    . LEU B 155 ? 0.649 0.525 0.953 0.003  -0.030 0.008  155 LEU LLL C    
5577 O O    . LEU B 155 ? 0.662 0.532 0.995 -0.006 -0.024 0.001  155 LEU LLL O    
5578 C CB   . LEU B 155 ? 0.715 0.555 0.988 0.014  -0.010 0.039  155 LEU LLL CB   
5579 C CG   . LEU B 155 ? 0.781 0.602 1.025 0.028  -0.007 0.053  155 LEU LLL CG   
5580 C CD1  . LEU B 155 ? 0.838 0.630 1.075 0.028  0.012  0.070  155 LEU LLL CD1  
5581 C CD2  . LEU B 155 ? 0.773 0.615 0.991 0.037  -0.017 0.056  155 LEU LLL CD2  
5582 H H    . LEU B 155 ? 0.675 0.495 0.972 0.014  -0.018 0.021  155 LEU LLL H    
5583 H HA   . LEU B 155 ? 0.655 0.523 0.920 0.020  -0.033 0.021  155 LEU LLL HA   
5584 H HB2  . LEU B 155 ? 0.732 0.559 1.023 0.007  -0.001 0.039  155 LEU LLL HB2  
5585 H HB3  . LEU B 155 ? 0.707 0.559 0.975 0.012  -0.009 0.043  155 LEU LLL HB3  
5586 H HG   . LEU B 155 ? 0.784 0.598 1.031 0.031  -0.012 0.048  155 LEU LLL HG   
5587 H HD11 . LEU B 155 ? 0.843 0.621 1.099 0.022  0.019  0.067  155 LEU LLL HD11 
5588 H HD12 . LEU B 155 ? 0.845 0.626 1.061 0.040  0.012  0.078  155 LEU LLL HD12 
5589 H HD13 . LEU B 155 ? 0.825 0.624 1.060 0.025  0.017  0.075  155 LEU LLL HD13 
5590 H HD21 . LEU B 155 ? 0.766 0.614 0.980 0.035  -0.012 0.062  155 LEU LLL HD21 
5591 H HD22 . LEU B 155 ? 0.782 0.615 0.985 0.047  -0.018 0.061  155 LEU LLL HD22 
5592 H HD23 . LEU B 155 ? 0.750 0.609 0.974 0.036  -0.026 0.045  155 LEU LLL HD23 
5593 N N    . GLN B 156 ? 0.638 0.536 0.930 0.006  -0.039 0.004  156 GLN LLL N    
5594 C CA   . GLN B 156 ? 0.614 0.531 0.921 -0.000 -0.044 -0.008 156 GLN LLL CA   
5595 C C    . GLN B 156 ? 0.639 0.561 0.943 -0.005 -0.034 0.004  156 GLN LLL C    
5596 O O    . GLN B 156 ? 0.692 0.606 0.977 -0.001 -0.026 0.020  156 GLN LLL O    
5597 C CB   . GLN B 156 ? 0.587 0.520 0.878 0.007  -0.058 -0.018 156 GLN LLL CB   
5598 C CG   . GLN B 156 ? 0.572 0.497 0.864 0.012  -0.067 -0.029 156 GLN LLL CG   
5599 C CD   . GLN B 156 ? 0.560 0.480 0.884 0.006  -0.068 -0.043 156 GLN LLL CD   
5600 O OE1  . GLN B 156 ? 0.522 0.454 0.861 0.002  -0.074 -0.055 156 GLN LLL OE1  
5601 N NE2  . GLN B 156 ? 0.569 0.470 0.905 0.004  -0.063 -0.041 156 GLN LLL NE2  
5602 H H    . GLN B 156 ? 0.627 0.530 0.900 0.012  -0.043 0.008  156 GLN LLL H    
5603 H HA   . GLN B 156 ? 0.625 0.538 0.954 -0.006 -0.044 -0.017 156 GLN LLL HA   
5604 H HB2  . GLN B 156 ? 0.578 0.515 0.849 0.011  -0.057 -0.010 156 GLN LLL HB2  
5605 H HB3  . GLN B 156 ? 0.577 0.520 0.874 0.004  -0.062 -0.026 156 GLN LLL HB3  
5606 H HG2  . GLN B 156 ? 0.579 0.495 0.862 0.015  -0.063 -0.022 156 GLN LLL HG2  
5607 H HG3  . GLN B 156 ? 0.563 0.498 0.844 0.017  -0.074 -0.035 156 GLN LLL HG3  
5610 N N    . SER B 157 ? 0.649 0.585 0.972 -0.012 -0.036 -0.005 157 SER LLL N    
5611 C CA   . SER B 157 ? 0.652 0.593 0.980 -0.018 -0.025 0.003  157 SER LLL CA   
5612 C C    . SER B 157 ? 0.623 0.583 0.973 -0.022 -0.033 -0.014 157 SER LLL C    
5613 O O    . SER B 157 ? 0.654 0.615 1.034 -0.027 -0.036 -0.029 157 SER LLL O    
5614 C CB   . SER B 157 ? 0.678 0.597 1.020 -0.024 -0.007 0.013  157 SER LLL CB   
5615 O OG   . SER B 157 ? 0.720 0.643 1.074 -0.031 0.005  0.018  157 SER LLL OG   
5616 H H    . SER B 157 ? 0.641 0.584 0.974 -0.012 -0.044 -0.018 157 SER LLL H    
5617 H HA   . SER B 157 ? 0.642 0.587 0.948 -0.013 -0.025 0.012  157 SER LLL HA   
5618 H HB2  . SER B 157 ? 0.695 0.602 1.019 -0.019 -0.003 0.025  157 SER LLL HB2  
5619 H HB3  . SER B 157 ? 0.694 0.607 1.058 -0.028 -0.007 0.004  157 SER LLL HB3  
5621 N N    . GLY B 158 ? 0.623 0.599 0.958 -0.020 -0.037 -0.013 158 GLY LLL N    
5622 C CA   . GLY B 158 ? 0.602 0.597 0.956 -0.022 -0.044 -0.028 158 GLY LLL CA   
5623 C C    . GLY B 158 ? 0.587 0.592 0.928 -0.013 -0.062 -0.043 158 GLY LLL C    
5624 O O    . GLY B 158 ? 0.569 0.589 0.919 -0.012 -0.069 -0.055 158 GLY LLL O    
5625 H H    . GLY B 158 ? 0.612 0.589 0.926 -0.016 -0.036 -0.003 158 GLY LLL H    
5626 H HA2  . GLY B 158 ? 0.597 0.598 0.943 -0.023 -0.039 -0.021 158 GLY LLL HA2  
5627 H HA3  . GLY B 158 ? 0.609 0.604 0.991 -0.029 -0.040 -0.035 158 GLY LLL HA3  
5628 N N    . ASN B 159 ? 0.545 0.543 0.865 -0.006 -0.068 -0.042 159 ASN LLL N    
5629 C CA   . ASN B 159 ? 0.509 0.512 0.814 0.004  -0.083 -0.056 159 ASN LLL CA   
5630 C C    . ASN B 159 ? 0.499 0.500 0.766 0.011  -0.083 -0.046 159 ASN LLL C    
5631 O O    . ASN B 159 ? 0.480 0.478 0.729 0.020  -0.091 -0.054 159 ASN LLL O    
5632 C CB   . ASN B 159 ? 0.524 0.518 0.845 0.005  -0.089 -0.069 159 ASN LLL CB   
5633 C CG   . ASN B 159 ? 0.551 0.529 0.871 0.003  -0.081 -0.057 159 ASN LLL CG   
5634 O OD1  . ASN B 159 ? 0.537 0.510 0.840 0.002  -0.071 -0.040 159 ASN LLL OD1  
5635 N ND2  . ASN B 159 ? 0.542 0.511 0.878 0.003  -0.085 -0.068 159 ASN LLL ND2  
5636 H H    . ASN B 159 ? 0.550 0.538 0.861 -0.006 -0.063 -0.033 159 ASN LLL H    
5637 H HA   . ASN B 159 ? 0.513 0.526 0.824 0.005  -0.088 -0.065 159 ASN LLL HA   
5638 H HB2  . ASN B 159 ? 0.529 0.525 0.836 0.013  -0.098 -0.077 159 ASN LLL HB2  
5639 H HB3  . ASN B 159 ? 0.531 0.529 0.878 0.001  -0.091 -0.079 159 ASN LLL HB3  
5642 N N    . SER B 160 ? 0.473 0.475 0.727 0.009  -0.073 -0.030 160 SER LLL N    
5643 C CA   . SER B 160 ? 0.471 0.474 0.693 0.014  -0.072 -0.023 160 SER LLL CA   
5644 C C    . SER B 160 ? 0.447 0.458 0.658 0.013  -0.068 -0.016 160 SER LLL C    
5645 O O    . SER B 160 ? 0.427 0.443 0.653 0.007  -0.063 -0.011 160 SER LLL O    
5646 C CB   . SER B 160 ? 0.473 0.467 0.687 0.015  -0.067 -0.014 160 SER LLL CB   
5647 O OG   . SER B 160 ? 0.468 0.459 0.692 0.010  -0.058 -0.002 160 SER LLL OG   
5648 H H    . SER B 160 ? 0.478 0.480 0.741 0.004  -0.067 -0.024 160 SER LLL H    
5649 H HA   . SER B 160 ? 0.470 0.472 0.682 0.020  -0.079 -0.031 160 SER LLL HA   
5650 H HB2  . SER B 160 ? 0.467 0.464 0.664 0.018  -0.066 -0.011 160 SER LLL HB2  
5651 H HB3  . SER B 160 ? 0.478 0.466 0.697 0.017  -0.071 -0.019 160 SER LLL HB3  
5653 N N    . GLN B 161 ? 0.455 0.468 0.641 0.018  -0.069 -0.016 161 GLN LLL N    
5654 C CA   . GLN B 161 ? 0.463 0.482 0.636 0.017  -0.064 -0.008 161 GLN LLL CA   
5655 C C    . GLN B 161 ? 0.455 0.473 0.608 0.020  -0.060 -0.002 161 GLN LLL C    
5656 O O    . GLN B 161 ? 0.461 0.472 0.606 0.024  -0.061 -0.007 161 GLN LLL O    
5657 C CB   . GLN B 161 ? 0.449 0.473 0.616 0.022  -0.070 -0.016 161 GLN LLL CB   
5658 C CG   . GLN B 161 ? 0.465 0.495 0.657 0.019  -0.075 -0.025 161 GLN LLL CG   
5659 C CD   . GLN B 161 ? 0.465 0.502 0.649 0.026  -0.082 -0.034 161 GLN LLL CD   
5660 O OE1  . GLN B 161 ? 0.493 0.525 0.664 0.035  -0.091 -0.045 161 GLN LLL OE1  
5661 N NE2  . GLN B 161 ? 0.464 0.509 0.654 0.022  -0.078 -0.030 161 GLN LLL NE2  
5662 H H    . GLN B 161 ? 0.460 0.469 0.635 0.023  -0.072 -0.020 161 GLN LLL H    
5663 H HA   . GLN B 161 ? 0.453 0.476 0.637 0.013  -0.060 -0.001 161 GLN LLL HA   
5664 H HB2  . GLN B 161 ? 0.461 0.481 0.614 0.027  -0.073 -0.022 161 GLN LLL HB2  
5665 H HB3  . GLN B 161 ? 0.451 0.479 0.609 0.021  -0.066 -0.011 161 GLN LLL HB3  
5666 H HG2  . GLN B 161 ? 0.457 0.491 0.664 0.013  -0.070 -0.020 161 GLN LLL HG2  
5667 H HG3  . GLN B 161 ? 0.466 0.493 0.668 0.021  -0.080 -0.032 161 GLN LLL HG3  
5670 N N    . GLU B 162 ? 0.425 0.448 0.570 0.018  -0.054 0.006  162 GLU LLL N    
5671 C CA   . GLU B 162 ? 0.450 0.473 0.580 0.020  -0.049 0.009  162 GLU LLL CA   
5672 C C    . GLU B 162 ? 0.407 0.436 0.525 0.019  -0.045 0.012  162 GLU LLL C    
5673 O O    . GLU B 162 ? 0.368 0.401 0.490 0.017  -0.046 0.014  162 GLU LLL O    
5674 C CB   . GLU B 162 ? 0.469 0.493 0.607 0.019  -0.047 0.016  162 GLU LLL CB   
5675 C CG   . GLU B 162 ? 0.488 0.515 0.631 0.017  -0.044 0.026  162 GLU LLL CG   
5676 C CD   . GLU B 162 ? 0.552 0.577 0.694 0.020  -0.041 0.033  162 GLU LLL CD   
5677 O OE1  . GLU B 162 ? 0.586 0.605 0.733 0.023  -0.043 0.032  162 GLU LLL OE1  
5678 O OE2  . GLU B 162 ? 0.559 0.589 0.694 0.021  -0.038 0.040  162 GLU LLL OE2  
5679 H H    . GLU B 162 ? 0.434 0.461 0.584 0.016  -0.052 0.009  162 GLU LLL H    
5680 H HA   . GLU B 162 ? 0.444 0.464 0.568 0.022  -0.050 0.004  162 GLU LLL HA   
5681 H HB2  . GLU B 162 ? 0.467 0.494 0.598 0.021  -0.045 0.016  162 GLU LLL HB2  
5682 H HB3  . GLU B 162 ? 0.474 0.493 0.619 0.020  -0.049 0.014  162 GLU LLL HB3  
5683 H HG2  . GLU B 162 ? 0.499 0.523 0.652 0.014  -0.044 0.026  162 GLU LLL HG2  
5684 H HG3  . GLU B 162 ? 0.491 0.524 0.628 0.016  -0.042 0.027  162 GLU LLL HG3  
5685 N N    . SER B 163 ? 0.395 0.424 0.500 0.020  -0.041 0.010  163 SER LLL N    
5686 C CA   . SER B 163 ? 0.400 0.434 0.495 0.019  -0.036 0.013  163 SER LLL CA   
5687 C C    . SER B 163 ? 0.399 0.438 0.493 0.018  -0.031 0.011  163 SER LLL C    
5688 O O    . SER B 163 ? 0.385 0.422 0.483 0.019  -0.031 0.007  163 SER LLL O    
5689 C CB   . SER B 163 ? 0.423 0.450 0.502 0.021  -0.035 0.008  163 SER LLL CB   
5690 O OG   . SER B 163 ? 0.418 0.435 0.483 0.024  -0.030 0.003  163 SER LLL OG   
5691 H H    . SER B 163 ? 0.403 0.429 0.505 0.021  -0.040 0.007  163 SER LLL H    
5692 H HA   . SER B 163 ? 0.398 0.437 0.497 0.017  -0.036 0.018  163 SER LLL HA   
5693 H HB2  . SER B 163 ? 0.413 0.443 0.487 0.020  -0.032 0.011  163 SER LLL HB2  
5694 H HB3  . SER B 163 ? 0.418 0.443 0.500 0.023  -0.040 0.007  163 SER LLL HB3  
5696 N N    . VAL B 164 ? 0.433 0.479 0.524 0.016  -0.028 0.014  164 VAL LLL N    
5697 C CA   . VAL B 164 ? 0.427 0.482 0.522 0.016  -0.025 0.010  164 VAL LLL CA   
5698 C C    . VAL B 164 ? 0.436 0.490 0.522 0.013  -0.017 0.005  164 VAL LLL C    
5699 O O    . VAL B 164 ? 0.420 0.471 0.497 0.013  -0.016 0.009  164 VAL LLL O    
5700 C CB   . VAL B 164 ? 0.433 0.497 0.534 0.019  -0.029 0.017  164 VAL LLL CB   
5701 C CG1  . VAL B 164 ? 0.441 0.517 0.547 0.021  -0.029 0.011  164 VAL LLL CG1  
5702 C CG2  . VAL B 164 ? 0.454 0.513 0.560 0.021  -0.034 0.023  164 VAL LLL CG2  
5703 H H    . VAL B 164 ? 0.422 0.468 0.509 0.016  -0.027 0.016  164 VAL LLL H    
5704 H HA   . VAL B 164 ? 0.432 0.487 0.532 0.017  -0.025 0.007  164 VAL LLL HA   
5705 H HB   . VAL B 164 ? 0.435 0.500 0.531 0.018  -0.028 0.020  164 VAL LLL HB   
5706 H HG11 . VAL B 164 ? 0.436 0.516 0.539 0.019  -0.026 0.008  164 VAL LLL HG11 
5707 H HG12 . VAL B 164 ? 0.440 0.520 0.547 0.025  -0.033 0.014  164 VAL LLL HG12 
5708 H HG13 . VAL B 164 ? 0.439 0.515 0.549 0.021  -0.028 0.005  164 VAL LLL HG13 
5709 H HG21 . VAL B 164 ? 0.450 0.507 0.561 0.022  -0.035 0.019  164 VAL LLL HG21 
5710 H HG22 . VAL B 164 ? 0.450 0.513 0.558 0.024  -0.035 0.027  164 VAL LLL HG22 
5711 H HG23 . VAL B 164 ? 0.449 0.504 0.555 0.019  -0.034 0.026  164 VAL LLL HG23 
5712 N N    . THR B 165 ? 0.420 0.476 0.509 0.012  -0.010 -0.003 165 THR LLL N    
5713 C CA   . THR B 165 ? 0.440 0.493 0.523 0.008  0.000  -0.009 165 THR LLL CA   
5714 C C    . THR B 165 ? 0.467 0.534 0.557 0.007  -0.002 -0.009 165 THR LLL C    
5715 O O    . THR B 165 ? 0.466 0.545 0.564 0.011  -0.011 -0.006 165 THR LLL O    
5716 C CB   . THR B 165 ? 0.431 0.482 0.521 0.005  0.010  -0.019 165 THR LLL CB   
5717 O OG1  . THR B 165 ? 0.455 0.524 0.565 0.006  0.004  -0.024 165 THR LLL OG1  
5718 C CG2  . THR B 165 ? 0.462 0.497 0.542 0.007  0.014  -0.020 165 THR LLL CG2  
5719 H H    . THR B 165 ? 0.428 0.487 0.525 0.013  -0.011 -0.007 165 THR LLL H    
5720 H HA   . THR B 165 ? 0.446 0.488 0.516 0.008  0.003  -0.006 165 THR LLL HA   
5721 H HB   . THR B 165 ? 0.447 0.496 0.535 0.002  0.018  -0.023 165 THR LLL HB   
5723 H HG21 . THR B 165 ? 0.463 0.486 0.528 0.008  0.018  -0.016 165 THR LLL HG21 
5724 H HG22 . THR B 165 ? 0.460 0.495 0.545 0.005  0.022  -0.026 165 THR LLL HG22 
5725 H HG23 . THR B 165 ? 0.452 0.489 0.535 0.010  0.006  -0.017 165 THR LLL HG23 
5726 N N    . GLU B 166 ? 0.486 0.550 0.571 0.003  0.007  -0.012 166 GLU LLL N    
5727 C CA   . GLU B 166 ? 0.519 0.597 0.612 0.002  0.006  -0.017 166 GLU LLL CA   
5728 C C    . GLU B 166 ? 0.467 0.559 0.580 0.001  0.007  -0.030 166 GLU LLL C    
5729 O O    . GLU B 166 ? 0.428 0.515 0.547 -0.001 0.013  -0.036 166 GLU LLL O    
5730 C CB   . GLU B 166 ? 0.569 0.636 0.651 -0.003 0.017  -0.019 166 GLU LLL CB   
5731 C CG   . GLU B 166 ? 0.678 0.733 0.740 -0.000 0.015  -0.008 166 GLU LLL CG   
5732 C CD   . GLU B 166 ? 0.753 0.819 0.815 0.004  0.005  -0.001 166 GLU LLL CD   
5733 O OE1  . GLU B 166 ? 0.836 0.912 0.906 0.007  -0.004 0.004  166 GLU LLL OE1  
5734 O OE2  . GLU B 166 ? 0.868 0.931 0.921 0.003  0.007  0.001  166 GLU LLL OE2  
5735 H H    . GLU B 166 ? 0.499 0.551 0.574 0.002  0.013  -0.013 166 GLU LLL H    
5736 H HA   . GLU B 166 ? 0.506 0.589 0.597 0.005  -0.001 -0.011 166 GLU LLL HA   
5737 H HB2  . GLU B 166 ? 0.589 0.647 0.670 -0.006 0.026  -0.024 166 GLU LLL HB2  
5738 H HB3  . GLU B 166 ? 0.579 0.656 0.668 -0.004 0.017  -0.024 166 GLU LLL HB3  
5739 H HG2  . GLU B 166 ? 0.672 0.718 0.728 0.002  0.014  -0.005 166 GLU LLL HG2  
5740 H HG3  . GLU B 166 ? 0.677 0.723 0.731 -0.002 0.023  -0.010 166 GLU LLL HG3  
5741 N N    . GLN B 167 ? 0.421 0.530 0.544 0.004  0.001  -0.035 167 GLN LLL N    
5742 C CA   . GLN B 167 ? 0.416 0.544 0.562 0.005  -0.001 -0.050 167 GLN LLL CA   
5743 C C    . GLN B 167 ? 0.410 0.533 0.567 -0.005 0.015  -0.063 167 GLN LLL C    
5744 O O    . GLN B 167 ? 0.438 0.552 0.589 -0.011 0.025  -0.064 167 GLN LLL O    
5745 C CB   . GLN B 167 ? 0.392 0.536 0.540 0.010  -0.011 -0.054 167 GLN LLL CB   
5746 C CG   . GLN B 167 ? 0.393 0.559 0.561 0.018  -0.021 -0.067 167 GLN LLL CG   
5747 C CD   . GLN B 167 ? 0.384 0.565 0.550 0.029  -0.033 -0.070 167 GLN LLL CD   
5748 O OE1  . GLN B 167 ? 0.381 0.560 0.537 0.028  -0.033 -0.066 167 GLN LLL OE1  
5749 N NE2  . GLN B 167 ? 0.356 0.550 0.529 0.040  -0.045 -0.077 167 GLN LLL NE2  
5750 H H    . GLN B 167 ? 0.428 0.539 0.545 0.006  -0.003 -0.030 167 GLN LLL H    
5751 H HA   . GLN B 167 ? 0.409 0.540 0.559 0.009  -0.007 -0.050 167 GLN LLL HA   
5752 H HB2  . GLN B 167 ? 0.397 0.537 0.533 0.015  -0.016 -0.043 167 GLN LLL HB2  
5753 H HB3  . GLN B 167 ? 0.398 0.543 0.549 0.006  -0.005 -0.059 167 GLN LLL HB3  
5754 H HG2  . GLN B 167 ? 0.390 0.562 0.574 0.013  -0.015 -0.080 167 GLN LLL HG2  
5755 H HG3  . GLN B 167 ? 0.390 0.553 0.557 0.022  -0.025 -0.062 167 GLN LLL HG3  
5758 N N    . ASP B 168 ? 0.396 0.525 0.570 -0.006 0.018  -0.073 168 ASP LLL N    
5759 C CA   . ASP B 168 ? 0.449 0.571 0.635 -0.015 0.036  -0.085 168 ASP LLL CA   
5760 C C    . ASP B 168 ? 0.522 0.660 0.730 -0.021 0.041  -0.102 168 ASP LLL C    
5761 O O    . ASP B 168 ? 0.492 0.655 0.717 -0.014 0.027  -0.112 168 ASP LLL O    
5762 C CB   . ASP B 168 ? 0.464 0.595 0.668 -0.014 0.036  -0.094 168 ASP LLL CB   
5763 C CG   . ASP B 168 ? 0.502 0.624 0.717 -0.023 0.058  -0.105 168 ASP LLL CG   
5764 O OD1  . ASP B 168 ? 0.584 0.680 0.776 -0.025 0.069  -0.095 168 ASP LLL OD1  
5765 O OD2  . ASP B 168 ? 0.510 0.649 0.755 -0.028 0.064  -0.124 168 ASP LLL OD2  
5766 H H    . ASP B 168 ? 0.407 0.543 0.585 -0.001 0.010  -0.073 168 ASP LLL H    
5767 H HA   . ASP B 168 ? 0.463 0.567 0.633 -0.019 0.045  -0.078 168 ASP LLL HA   
5768 H HB2  . ASP B 168 ? 0.466 0.589 0.657 -0.010 0.031  -0.084 168 ASP LLL HB2  
5769 H HB3  . ASP B 168 ? 0.461 0.611 0.681 -0.010 0.027  -0.103 168 ASP LLL HB3  
5770 N N    . SER B 169 ? 0.521 0.645 0.729 -0.031 0.060  -0.107 169 SER LLL N    
5771 C CA   . SER B 169 ? 0.575 0.710 0.804 -0.037 0.066  -0.123 169 SER LLL CA   
5772 C C    . SER B 169 ? 0.581 0.739 0.850 -0.041 0.070  -0.147 169 SER LLL C    
5773 O O    . SER B 169 ? 0.658 0.837 0.952 -0.042 0.066  -0.163 169 SER LLL O    
5774 C CB   . SER B 169 ? 0.607 0.716 0.820 -0.045 0.086  -0.119 169 SER LLL CB   
5775 O OG   . SER B 169 ? 0.656 0.742 0.863 -0.052 0.107  -0.118 169 SER LLL OG   
5776 H H    . SER B 169 ? 0.545 0.649 0.740 -0.034 0.071  -0.101 169 SER LLL H    
5777 H HA   . SER B 169 ? 0.562 0.709 0.789 -0.031 0.052  -0.121 169 SER LLL HA   
5778 H HB2  . SER B 169 ? 0.612 0.729 0.841 -0.050 0.090  -0.131 169 SER LLL HB2  
5779 H HB3  . SER B 169 ? 0.610 0.708 0.800 -0.041 0.080  -0.105 169 SER LLL HB3  
5781 N N    . LYS B 170 ? 0.551 0.707 0.828 -0.042 0.077  -0.150 170 LYS LLL N    
5782 C CA   . LYS B 170 ? 0.554 0.734 0.873 -0.046 0.081  -0.174 170 LYS LLL CA   
5783 C C    . LYS B 170 ? 0.518 0.728 0.851 -0.032 0.055  -0.180 170 LYS LLL C    
5784 O O    . LYS B 170 ? 0.492 0.730 0.858 -0.030 0.049  -0.202 170 LYS LLL O    
5785 C CB   . LYS B 170 ? 0.588 0.750 0.909 -0.053 0.103  -0.174 170 LYS LLL CB   
5786 C CG   . LYS B 170 ? 0.625 0.809 0.992 -0.060 0.114  -0.201 170 LYS LLL CG   
5787 C CD   . LYS B 170 ? 0.658 0.821 1.026 -0.068 0.140  -0.202 170 LYS LLL CD   
5788 C CE   . LYS B 170 ? 0.721 0.899 1.137 -0.081 0.161  -0.230 170 LYS LLL CE   
5789 N NZ   . LYS B 170 ? 0.772 0.936 1.195 -0.088 0.186  -0.234 170 LYS LLL NZ   
5790 H H    . LYS B 170 ? 0.563 0.703 0.821 -0.041 0.080  -0.138 170 LYS LLL H    
5791 H HA   . LYS B 170 ? 0.556 0.743 0.894 -0.052 0.088  -0.187 170 LYS LLL HA   
5792 H HB2  . LYS B 170 ? 0.603 0.742 0.908 -0.059 0.119  -0.168 170 LYS LLL HB2  
5793 H HB3  . LYS B 170 ? 0.588 0.745 0.893 -0.046 0.095  -0.164 170 LYS LLL HB3  
5794 H HG2  . LYS B 170 ? 0.610 0.815 0.990 -0.052 0.098  -0.207 170 LYS LLL HG2  
5795 H HG3  . LYS B 170 ? 0.622 0.814 1.008 -0.066 0.119  -0.214 170 LYS LLL HG3  
5796 H HD2  . LYS B 170 ? 0.678 0.814 1.018 -0.071 0.152  -0.189 170 LYS LLL HD2  
5797 H HD3  . LYS B 170 ? 0.662 0.829 1.028 -0.062 0.133  -0.199 170 LYS LLL HD3  
5798 H HE2  . LYS B 170 ? 0.703 0.911 1.147 -0.077 0.147  -0.245 170 LYS LLL HE2  
5799 H HE3  . LYS B 170 ? 0.723 0.891 1.139 -0.088 0.173  -0.232 170 LYS LLL HE3  
5800 H HZ1  . LYS B 170 ? 0.774 0.910 1.169 -0.089 0.199  -0.220 170 LYS LLL HZ1  
5801 H HZ2  . LYS B 170 ? 0.766 0.939 1.220 -0.097 0.201  -0.251 170 LYS LLL HZ2  
5802 H HZ3  . LYS B 170 ? 0.753 0.929 1.180 -0.081 0.176  -0.235 170 LYS LLL HZ3  
5803 N N    . ASP B 171 ? 0.461 0.665 0.770 -0.021 0.040  -0.162 171 ASP LLL N    
5804 C CA   . ASP B 171 ? 0.425 0.653 0.745 -0.007 0.018  -0.168 171 ASP LLL CA   
5805 C C    . ASP B 171 ? 0.402 0.629 0.694 0.006  -0.002 -0.152 171 ASP LLL C    
5806 O O    . ASP B 171 ? 0.384 0.625 0.678 0.020  -0.020 -0.154 171 ASP LLL O    
5807 C CB   . ASP B 171 ? 0.405 0.630 0.728 -0.004 0.020  -0.167 171 ASP LLL CB   
5808 C CG   . ASP B 171 ? 0.422 0.618 0.710 -0.003 0.022  -0.142 171 ASP LLL CG   
5809 O OD1  . ASP B 171 ? 0.391 0.573 0.651 -0.001 0.017  -0.125 171 ASP LLL OD1  
5810 O OD2  . ASP B 171 ? 0.481 0.671 0.771 -0.004 0.027  -0.142 171 ASP LLL OD2  
5811 H H    . ASP B 171 ? 0.468 0.653 0.753 -0.021 0.043  -0.147 171 ASP LLL H    
5812 H HA   . ASP B 171 ? 0.422 0.671 0.767 -0.007 0.016  -0.187 171 ASP LLL HA   
5813 H HB2  . ASP B 171 ? 0.410 0.652 0.742 0.005  0.006  -0.173 171 ASP LLL HB2  
5814 H HB3  . ASP B 171 ? 0.417 0.644 0.758 -0.012 0.034  -0.179 171 ASP LLL HB3  
5815 N N    . SER B 172 ? 0.399 0.608 0.665 0.003  0.001  -0.135 172 SER LLL N    
5816 C CA   . SER B 172 ? 0.402 0.608 0.643 0.013  -0.014 -0.119 172 SER LLL CA   
5817 C C    . SER B 172 ? 0.416 0.613 0.639 0.022  -0.024 -0.103 172 SER LLL C    
5818 O O    . SER B 172 ? 0.398 0.598 0.608 0.034  -0.038 -0.094 172 SER LLL O    
5819 C CB   . SER B 172 ? 0.411 0.641 0.663 0.023  -0.028 -0.133 172 SER LLL CB   
5820 O OG   . SER B 172 ? 0.402 0.642 0.676 0.014  -0.019 -0.151 172 SER LLL OG   
5821 H H    . SER B 172 ? 0.404 0.600 0.666 -0.006 0.014  -0.133 172 SER LLL H    
5822 H HA   . SER B 172 ? 0.406 0.598 0.632 0.008  -0.008 -0.110 172 SER LLL HA   
5823 H HB2  . SER B 172 ? 0.408 0.651 0.671 0.031  -0.037 -0.141 172 SER LLL HB2  
5824 H HB3  . SER B 172 ? 0.408 0.633 0.641 0.029  -0.036 -0.121 172 SER LLL HB3  
5826 N N    . THR B 173 ? 0.409 0.592 0.630 0.017  -0.015 -0.098 173 THR LLL N    
5827 C CA   . THR B 173 ? 0.389 0.561 0.595 0.024  -0.023 -0.083 173 THR LLL CA   
5828 C C    . THR B 173 ? 0.385 0.533 0.566 0.019  -0.017 -0.065 173 THR LLL C    
5829 O O    . THR B 173 ? 0.358 0.496 0.533 0.010  -0.005 -0.064 173 THR LLL O    
5830 C CB   . THR B 173 ? 0.374 0.550 0.595 0.025  -0.021 -0.092 173 THR LLL CB   
5831 O OG1  . THR B 173 ? 0.368 0.534 0.595 0.013  -0.003 -0.098 173 THR LLL OG1  
5832 C CG2  . THR B 173 ? 0.376 0.577 0.622 0.034  -0.031 -0.111 173 THR LLL CG2  
5833 H H    . THR B 173 ? 0.407 0.586 0.636 0.009  -0.004 -0.104 173 THR LLL H    
5834 H HA   . THR B 173 ? 0.390 0.569 0.591 0.033  -0.034 -0.080 173 THR LLL HA   
5835 H HB   . THR B 173 ? 0.377 0.543 0.586 0.029  -0.026 -0.081 173 THR LLL HB   
5837 H HG21 . THR B 173 ? 0.378 0.584 0.616 0.044  -0.043 -0.106 173 THR LLL HG21 
5838 H HG22 . THR B 173 ? 0.377 0.580 0.632 0.034  -0.029 -0.116 173 THR LLL HG22 
5839 H HG23 . THR B 173 ? 0.374 0.586 0.634 0.029  -0.026 -0.123 173 THR LLL HG23 
5840 N N    . TYR B 174 ? 0.363 0.501 0.531 0.025  -0.025 -0.051 174 TYR LLL N    
5841 C CA   . TYR B 174 ? 0.372 0.490 0.522 0.022  -0.021 -0.037 174 TYR LLL CA   
5842 C C    . TYR B 174 ? 0.392 0.501 0.544 0.022  -0.020 -0.037 174 TYR LLL C    
5843 O O    . TYR B 174 ? 0.375 0.494 0.541 0.026  -0.023 -0.046 174 TYR LLL O    
5844 C CB   . TYR B 174 ? 0.388 0.503 0.526 0.028  -0.031 -0.022 174 TYR LLL CB   
5845 C CG   . TYR B 174 ? 0.378 0.501 0.511 0.030  -0.033 -0.022 174 TYR LLL CG   
5846 C CD1  . TYR B 174 ? 0.381 0.497 0.504 0.024  -0.028 -0.016 174 TYR LLL CD1  
5847 C CD2  . TYR B 174 ? 0.391 0.529 0.529 0.039  -0.042 -0.027 174 TYR LLL CD2  
5848 C CE1  . TYR B 174 ? 0.390 0.513 0.508 0.026  -0.030 -0.015 174 TYR LLL CE1  
5849 C CE2  . TYR B 174 ? 0.396 0.542 0.528 0.043  -0.045 -0.028 174 TYR LLL CE2  
5850 C CZ   . TYR B 174 ? 0.388 0.526 0.510 0.036  -0.038 -0.021 174 TYR LLL CZ   
5851 O OH   . TYR B 174 ? 0.393 0.538 0.510 0.039  -0.041 -0.021 174 TYR LLL OH   
5852 H H    . TYR B 174 ? 0.372 0.516 0.542 0.032  -0.033 -0.051 174 TYR LLL H    
5853 H HA   . TYR B 174 ? 0.376 0.488 0.521 0.016  -0.014 -0.036 174 TYR LLL HA   
5854 H HB2  . TYR B 174 ? 0.386 0.503 0.526 0.034  -0.037 -0.022 174 TYR LLL HB2  
5855 H HB3  . TYR B 174 ? 0.383 0.486 0.511 0.025  -0.029 -0.014 174 TYR LLL HB3  
5856 H HD1  . TYR B 174 ? 0.382 0.488 0.500 0.020  -0.023 -0.012 174 TYR LLL HD1  
5857 H HD2  . TYR B 174 ? 0.393 0.536 0.537 0.045  -0.047 -0.032 174 TYR LLL HD2  
5858 H HE1  . TYR B 174 ? 0.386 0.505 0.497 0.023  -0.026 -0.011 174 TYR LLL HE1  
5859 H HE2  . TYR B 174 ? 0.399 0.554 0.532 0.051  -0.052 -0.032 174 TYR LLL HE2  
5861 N N    . SER B 175 ? 0.396 0.488 0.535 0.018  -0.015 -0.029 175 SER LLL N    
5862 C CA   . SER B 175 ? 0.390 0.471 0.526 0.019  -0.015 -0.027 175 SER LLL CA   
5863 C C    . SER B 175 ? 0.386 0.453 0.508 0.020  -0.020 -0.015 175 SER LLL C    
5864 O O    . SER B 175 ? 0.368 0.433 0.481 0.018  -0.019 -0.009 175 SER LLL O    
5865 C CB   . SER B 175 ? 0.425 0.497 0.559 0.014  -0.002 -0.035 175 SER LLL CB   
5866 O OG   . SER B 175 ? 0.406 0.491 0.558 0.013  0.004  -0.049 175 SER LLL OG   
5867 H H    . SER B 175 ? 0.393 0.479 0.523 0.015  -0.012 -0.025 175 SER LLL H    
5868 H HA   . SER B 175 ? 0.396 0.482 0.540 0.023  -0.020 -0.029 175 SER LLL HA   
5869 H HB2  . SER B 175 ? 0.416 0.481 0.540 0.011  0.004  -0.033 175 SER LLL HB2  
5870 H HB3  . SER B 175 ? 0.418 0.482 0.548 0.016  -0.003 -0.034 175 SER LLL HB3  
5872 N N    . LEU B 176 ? 0.373 0.433 0.496 0.023  -0.025 -0.012 176 LEU LLL N    
5873 C CA   . LEU B 176 ? 0.391 0.441 0.508 0.024  -0.030 -0.003 176 LEU LLL CA   
5874 C C    . LEU B 176 ? 0.384 0.423 0.499 0.025  -0.030 -0.007 176 LEU LLL C    
5875 O O    . LEU B 176 ? 0.388 0.427 0.508 0.027  -0.029 -0.013 176 LEU LLL O    
5876 C CB   . LEU B 176 ? 0.398 0.452 0.522 0.028  -0.037 0.004  176 LEU LLL CB   
5877 C CG   . LEU B 176 ? 0.433 0.478 0.557 0.027  -0.041 0.013  176 LEU LLL CG   
5878 C CD1  . LEU B 176 ? 0.431 0.478 0.556 0.031  -0.043 0.022  176 LEU LLL CD1  
5879 C CD2  . LEU B 176 ? 0.455 0.491 0.585 0.028  -0.044 0.010  176 LEU LLL CD2  
5880 H H    . LEU B 176 ? 0.383 0.444 0.511 0.025  -0.025 -0.017 176 LEU LLL H    
5881 H HA   . LEU B 176 ? 0.385 0.433 0.495 0.021  -0.029 -0.000 176 LEU LLL HA   
5882 H HB2  . LEU B 176 ? 0.401 0.463 0.525 0.028  -0.037 0.005  176 LEU LLL HB2  
5883 H HB3  . LEU B 176 ? 0.406 0.462 0.536 0.031  -0.039 0.001  176 LEU LLL HB3  
5884 H HG   . LEU B 176 ? 0.426 0.470 0.546 0.024  -0.039 0.014  176 LEU LLL HG   
5885 H HD11 . LEU B 176 ? 0.430 0.483 0.551 0.031  -0.041 0.023  176 LEU LLL HD11 
5886 H HD12 . LEU B 176 ? 0.436 0.476 0.562 0.029  -0.043 0.027  176 LEU LLL HD12 
5887 H HD13 . LEU B 176 ? 0.438 0.485 0.565 0.035  -0.045 0.021  176 LEU LLL HD13 
5888 H HD21 . LEU B 176 ? 0.452 0.489 0.584 0.031  -0.044 0.007  176 LEU LLL HD21 
5889 H HD22 . LEU B 176 ? 0.454 0.484 0.587 0.028  -0.046 0.016  176 LEU LLL HD22 
5890 H HD23 . LEU B 176 ? 0.450 0.482 0.576 0.026  -0.043 0.007  176 LEU LLL HD23 
5891 N N    . SER B 177 ? 0.385 0.414 0.491 0.024  -0.031 -0.005 177 SER LLL N    
5892 C CA   . SER B 177 ? 0.415 0.433 0.516 0.027  -0.034 -0.009 177 SER LLL CA   
5893 C C    . SER B 177 ? 0.434 0.450 0.544 0.027  -0.042 -0.005 177 SER LLL C    
5894 O O    . SER B 177 ? 0.422 0.440 0.530 0.025  -0.043 -0.001 177 SER LLL O    
5895 C CB   . SER B 177 ? 0.450 0.457 0.532 0.029  -0.028 -0.013 177 SER LLL CB   
5896 O OG   . SER B 177 ? 0.471 0.467 0.546 0.035  -0.033 -0.018 177 SER LLL OG   
5897 H H    . SER B 177 ? 0.389 0.418 0.490 0.023  -0.031 -0.002 177 SER LLL H    
5898 H HA   . SER B 177 ? 0.422 0.439 0.527 0.029  -0.034 -0.013 177 SER LLL HA   
5899 H HB2  . SER B 177 ? 0.448 0.455 0.526 0.028  -0.021 -0.016 177 SER LLL HB2  
5900 H HB3  . SER B 177 ? 0.444 0.452 0.521 0.028  -0.029 -0.010 177 SER LLL HB3  
5902 N N    . SER B 178 ? 0.439 0.451 0.558 0.029  -0.047 -0.007 178 SER LLL N    
5903 C CA   . SER B 178 ? 0.456 0.463 0.587 0.029  -0.054 -0.006 178 SER LLL CA   
5904 C C    . SER B 178 ? 0.448 0.447 0.576 0.033  -0.059 -0.016 178 SER LLL C    
5905 O O    . SER B 178 ? 0.433 0.427 0.556 0.036  -0.058 -0.021 178 SER LLL O    
5906 C CB   . SER B 178 ? 0.453 0.461 0.598 0.028  -0.055 -0.000 178 SER LLL CB   
5907 O OG   . SER B 178 ? 0.482 0.485 0.641 0.025  -0.058 0.001  178 SER LLL OG   
5908 H H    . SER B 178 ? 0.444 0.455 0.565 0.031  -0.047 -0.010 178 SER LLL H    
5909 H HA   . SER B 178 ? 0.446 0.456 0.576 0.026  -0.054 -0.004 178 SER LLL HA   
5910 H HB2  . SER B 178 ? 0.456 0.468 0.599 0.027  -0.052 0.005  178 SER LLL HB2  
5911 H HB3  . SER B 178 ? 0.463 0.468 0.609 0.031  -0.056 -0.003 178 SER LLL HB3  
5913 N N    . THR B 179 ? 0.420 0.418 0.552 0.033  -0.065 -0.020 179 THR LLL N    
5914 C CA   . THR B 179 ? 0.454 0.445 0.585 0.039  -0.072 -0.031 179 THR LLL CA   
5915 C C    . THR B 179 ? 0.441 0.433 0.598 0.036  -0.079 -0.034 179 THR LLL C    
5916 O O    . THR B 179 ? 0.435 0.433 0.605 0.031  -0.079 -0.032 179 THR LLL O    
5917 C CB   . THR B 179 ? 0.474 0.462 0.586 0.045  -0.075 -0.037 179 THR LLL CB   
5918 O OG1  . THR B 179 ? 0.506 0.491 0.595 0.047  -0.066 -0.033 179 THR LLL OG1  
5919 C CG2  . THR B 179 ? 0.491 0.470 0.594 0.055  -0.084 -0.050 179 THR LLL CG2  
5920 H H    . THR B 179 ? 0.428 0.430 0.564 0.031  -0.065 -0.017 179 THR LLL H    
5921 H HA   . THR B 179 ? 0.454 0.440 0.579 0.042  -0.071 -0.034 179 THR LLL HA   
5922 H HB   . THR B 179 ? 0.473 0.467 0.593 0.043  -0.078 -0.037 179 THR LLL HB   
5924 H HG21 . THR B 179 ? 0.491 0.473 0.611 0.054  -0.091 -0.055 179 THR LLL HG21 
5925 H HG22 . THR B 179 ? 0.499 0.474 0.584 0.061  -0.084 -0.053 179 THR LLL HG22 
5926 H HG23 . THR B 179 ? 0.495 0.469 0.595 0.057  -0.082 -0.051 179 THR LLL HG23 
5927 N N    . LEU B 180 ? 0.468 0.452 0.632 0.038  -0.083 -0.041 180 LEU LLL N    
5928 C CA   . LEU B 180 ? 0.471 0.454 0.660 0.036  -0.090 -0.048 180 LEU LLL CA   
5929 C C    . LEU B 180 ? 0.489 0.471 0.673 0.044  -0.100 -0.065 180 LEU LLL C    
5930 O O    . LEU B 180 ? 0.472 0.447 0.636 0.053  -0.102 -0.070 180 LEU LLL O    
5931 C CB   . LEU B 180 ? 0.489 0.464 0.688 0.035  -0.088 -0.046 180 LEU LLL CB   
5932 C CG   . LEU B 180 ? 0.507 0.476 0.732 0.032  -0.092 -0.054 180 LEU LLL CG   
5933 C CD1  . LEU B 180 ? 0.522 0.492 0.770 0.022  -0.086 -0.047 180 LEU LLL CD1  
5934 C CD2  . LEU B 180 ? 0.523 0.482 0.751 0.035  -0.092 -0.054 180 LEU LLL CD2  
5935 H H    . LEU B 180 ? 0.466 0.447 0.621 0.041  -0.081 -0.041 180 LEU LLL H    
5936 H HA   . LEU B 180 ? 0.471 0.458 0.673 0.031  -0.088 -0.045 180 LEU LLL HA   
5937 H HB2  . LEU B 180 ? 0.483 0.458 0.682 0.032  -0.082 -0.036 180 LEU LLL HB2  
5938 H HB3  . LEU B 180 ? 0.492 0.463 0.677 0.040  -0.089 -0.049 180 LEU LLL HB3  
5939 H HG   . LEU B 180 ? 0.514 0.485 0.742 0.035  -0.100 -0.065 180 LEU LLL HG   
5940 H HD11 . LEU B 180 ? 0.511 0.488 0.759 0.021  -0.086 -0.047 180 LEU LLL HD11 
5941 H HD12 . LEU B 180 ? 0.523 0.489 0.790 0.020  -0.088 -0.053 180 LEU LLL HD12 
5942 H HD13 . LEU B 180 ? 0.515 0.482 0.759 0.021  -0.079 -0.036 180 LEU LLL HD13 
5943 H HD21 . LEU B 180 ? 0.518 0.475 0.742 0.033  -0.086 -0.044 180 LEU LLL HD21 
5944 H HD22 . LEU B 180 ? 0.527 0.481 0.772 0.032  -0.095 -0.060 180 LEU LLL HD22 
5945 H HD23 . LEU B 180 ? 0.523 0.481 0.737 0.041  -0.096 -0.060 180 LEU LLL HD23 
5946 N N    . THR B 181 ? 0.474 0.462 0.675 0.043  -0.107 -0.073 181 THR LLL N    
5947 C CA   . THR B 181 ? 0.503 0.492 0.701 0.053  -0.120 -0.091 181 THR LLL CA   
5948 C C    . THR B 181 ? 0.523 0.513 0.756 0.050  -0.128 -0.105 181 THR LLL C    
5949 O O    . THR B 181 ? 0.496 0.492 0.760 0.039  -0.124 -0.103 181 THR LLL O    
5950 C CB   . THR B 181 ? 0.511 0.507 0.697 0.058  -0.123 -0.093 181 THR LLL CB   
5951 O OG1  . THR B 181 ? 0.511 0.503 0.667 0.058  -0.113 -0.079 181 THR LLL OG1  
5952 C CG2  . THR B 181 ? 0.525 0.520 0.699 0.073  -0.138 -0.112 181 THR LLL CG2  
5953 H H    . THR B 181 ? 0.475 0.468 0.692 0.037  -0.104 -0.069 181 THR LLL H    
5954 H HA   . THR B 181 ? 0.512 0.494 0.690 0.061  -0.121 -0.093 181 THR LLL HA   
5955 H HB   . THR B 181 ? 0.501 0.506 0.709 0.051  -0.122 -0.092 181 THR LLL HB   
5957 H HG21 . THR B 181 ? 0.528 0.529 0.727 0.072  -0.145 -0.123 181 THR LLL HG21 
5958 H HG22 . THR B 181 ? 0.527 0.525 0.689 0.077  -0.139 -0.112 181 THR LLL HG22 
5959 H HG23 . THR B 181 ? 0.536 0.522 0.691 0.080  -0.139 -0.114 181 THR LLL HG23 
5960 N N    . LEU B 182 ? 0.536 0.520 0.763 0.059  -0.137 -0.118 182 LEU LLL N    
5961 C CA   . LEU B 182 ? 0.564 0.548 0.822 0.059  -0.147 -0.135 182 LEU LLL CA   
5962 C C    . LEU B 182 ? 0.564 0.550 0.808 0.075  -0.163 -0.156 182 LEU LLL C    
5963 O O    . LEU B 182 ? 0.558 0.536 0.761 0.088  -0.164 -0.153 182 LEU LLL O    
5964 C CB   . LEU B 182 ? 0.619 0.591 0.883 0.055  -0.142 -0.131 182 LEU LLL CB   
5965 C CG   . LEU B 182 ? 0.628 0.596 0.906 0.042  -0.127 -0.112 182 LEU LLL CG   
5966 C CD1  . LEU B 182 ? 0.679 0.634 0.965 0.041  -0.126 -0.113 182 LEU LLL CD1  
5967 C CD2  . LEU B 182 ? 0.637 0.613 0.948 0.030  -0.123 -0.112 182 LEU LLL CD2  
5968 H H    . LEU B 182 ? 0.546 0.524 0.750 0.066  -0.137 -0.117 182 LEU LLL H    
5969 H HA   . LEU B 182 ? 0.561 0.553 0.846 0.051  -0.146 -0.137 182 LEU LLL HA   
5970 H HB2  . LEU B 182 ? 0.615 0.582 0.854 0.063  -0.142 -0.129 182 LEU LLL HB2  
5971 H HB3  . LEU B 182 ? 0.618 0.591 0.902 0.056  -0.149 -0.144 182 LEU LLL HB3  
5972 H HG   . LEU B 182 ? 0.628 0.596 0.885 0.043  -0.121 -0.100 182 LEU LLL HG   
5973 H HD11 . LEU B 182 ? 0.670 0.622 0.936 0.049  -0.129 -0.114 182 LEU LLL HD11 
5974 H HD12 . LEU B 182 ? 0.662 0.613 0.952 0.035  -0.117 -0.100 182 LEU LLL HD12 
5975 H HD13 . LEU B 182 ? 0.673 0.628 0.981 0.040  -0.131 -0.125 182 LEU LLL HD13 
5976 H HD21 . LEU B 182 ? 0.638 0.618 0.968 0.031  -0.130 -0.126 182 LEU LLL HD21 
5977 H HD22 . LEU B 182 ? 0.633 0.601 0.955 0.023  -0.114 -0.103 182 LEU LLL HD22 
5978 H HD23 . LEU B 182 ? 0.624 0.607 0.927 0.029  -0.120 -0.106 182 LEU LLL HD23 
5979 N N    . SER B 183 ? 0.543 0.536 0.819 0.076  -0.176 -0.176 183 SER LLL N    
5980 C CA   . SER B 183 ? 0.563 0.556 0.830 0.093  -0.194 -0.200 183 SER LLL CA   
5981 C C    . SER B 183 ? 0.565 0.542 0.810 0.100  -0.193 -0.198 183 SER LLL C    
5982 O O    . SER B 183 ? 0.531 0.501 0.791 0.088  -0.182 -0.187 183 SER LLL O    
5983 C CB   . SER B 183 ? 0.556 0.562 0.870 0.090  -0.206 -0.223 183 SER LLL CB   
5984 O OG   . SER B 183 ? 0.532 0.533 0.881 0.075  -0.198 -0.221 183 SER LLL OG   
5985 H H    . SER B 183 ? 0.543 0.543 0.849 0.066  -0.173 -0.178 183 SER LLL H    
5986 H HA   . SER B 183 ? 0.565 0.560 0.806 0.104  -0.198 -0.201 183 SER LLL HA   
5987 H HB2  . SER B 183 ? 0.569 0.576 0.876 0.103  -0.220 -0.240 183 SER LLL HB2  
5988 H HB3  . SER B 183 ? 0.546 0.563 0.875 0.085  -0.205 -0.224 183 SER LLL HB3  
5990 N N    . LYS B 184 ? 0.612 0.582 0.822 0.120  -0.204 -0.209 184 LYS LLL N    
5991 C CA   . LYS B 184 ? 0.657 0.612 0.847 0.129  -0.204 -0.212 184 LYS LLL CA   
5992 C C    . LYS B 184 ? 0.648 0.606 0.883 0.120  -0.210 -0.225 184 LYS LLL C    
5993 O O    . LYS B 184 ? 0.632 0.580 0.867 0.115  -0.202 -0.217 184 LYS LLL O    
5994 C CB   . LYS B 184 ? 0.725 0.671 0.872 0.153  -0.216 -0.226 184 LYS LLL CB   
5995 C CG   . LYS B 184 ? 0.793 0.724 0.915 0.164  -0.216 -0.229 184 LYS LLL CG   
5996 C CD   . LYS B 184 ? 0.860 0.784 0.955 0.190  -0.234 -0.251 184 LYS LLL CD   
5997 C CE   . LYS B 184 ? 0.925 0.828 0.970 0.205  -0.226 -0.246 184 LYS LLL CE   
5998 N NZ   . LYS B 184 ? 1.002 0.899 1.033 0.227  -0.245 -0.270 184 LYS LLL NZ   
5999 H H    . LYS B 184 ? 0.621 0.593 0.815 0.130  -0.210 -0.216 184 LYS LLL H    
6000 H HA   . LYS B 184 ? 0.649 0.598 0.826 0.123  -0.192 -0.196 184 LYS LLL HA   
6001 H HB2  . LYS B 184 ? 0.727 0.670 0.848 0.157  -0.211 -0.217 184 LYS LLL HB2  
6002 H HB3  . LYS B 184 ? 0.734 0.689 0.896 0.160  -0.230 -0.243 184 LYS LLL HB3  
6003 H HG2  . LYS B 184 ? 0.781 0.713 0.930 0.155  -0.215 -0.231 184 LYS LLL HG2  
6004 H HG3  . LYS B 184 ? 0.787 0.709 0.885 0.164  -0.204 -0.214 184 LYS LLL HG3  
6005 H HD2  . LYS B 184 ? 0.867 0.795 0.950 0.197  -0.240 -0.255 184 LYS LLL HD2  
6006 H HD3  . LYS B 184 ? 0.865 0.795 0.986 0.190  -0.245 -0.267 184 LYS LLL HD3  
6007 H HE2  . LYS B 184 ? 0.914 0.813 0.966 0.195  -0.216 -0.236 184 LYS LLL HE2  
6008 H HE3  . LYS B 184 ? 0.932 0.827 0.945 0.211  -0.219 -0.237 184 LYS LLL HE3  
6009 H HZ1  . LYS B 184 ? 0.998 0.899 1.025 0.237  -0.257 -0.281 184 LYS LLL HZ1  
6010 H HZ2  . LYS B 184 ? 1.005 0.887 1.002 0.237  -0.239 -0.266 184 LYS LLL HZ2  
6011 H HZ3  . LYS B 184 ? 0.983 0.884 1.041 0.221  -0.250 -0.278 184 LYS LLL HZ3  
6012 N N    . ALA B 185 ? 0.662 0.634 0.936 0.118  -0.223 -0.246 185 ALA LLL N    
6013 C CA   . ALA B 185 ? 0.677 0.651 0.999 0.108  -0.227 -0.261 185 ALA LLL CA   
6014 C C    . ALA B 185 ? 0.689 0.655 1.032 0.087  -0.208 -0.239 185 ALA LLL C    
6015 O O    . ALA B 185 ? 0.682 0.636 1.032 0.086  -0.206 -0.240 185 ALA LLL O    
6016 C CB   . ALA B 185 ? 0.682 0.674 1.046 0.106  -0.240 -0.284 185 ALA LLL CB   
6017 H H    . ALA B 185 ? 0.664 0.644 0.937 0.122  -0.229 -0.253 185 ALA LLL H    
6018 H HA   . ALA B 185 ? 0.695 0.661 1.007 0.117  -0.234 -0.270 185 ALA LLL HA   
6019 H HB1  . ALA B 185 ? 0.683 0.675 1.080 0.098  -0.241 -0.294 185 ALA LLL HB1  
6020 H HB2  . ALA B 185 ? 0.693 0.690 1.043 0.121  -0.254 -0.299 185 ALA LLL HB2  
6021 H HB3  . ALA B 185 ? 0.667 0.667 1.041 0.097  -0.232 -0.275 185 ALA LLL HB3  
6022 N N    . ASP B 186 ? 0.671 0.642 1.018 0.075  -0.194 -0.220 186 ASP LLL N    
6023 C CA   . ASP B 186 ? 0.665 0.627 1.029 0.058  -0.175 -0.199 186 ASP LLL CA   
6024 C C    . ASP B 186 ? 0.648 0.596 0.976 0.062  -0.167 -0.181 186 ASP LLL C    
6025 O O    . ASP B 186 ? 0.670 0.606 1.009 0.056  -0.160 -0.174 186 ASP LLL O    
6026 C CB   . ASP B 186 ? 0.649 0.619 1.026 0.045  -0.164 -0.185 186 ASP LLL CB   
6027 C CG   . ASP B 186 ? 0.660 0.642 1.087 0.035  -0.167 -0.202 186 ASP LLL CG   
6028 O OD1  . ASP B 186 ? 0.730 0.708 1.185 0.034  -0.173 -0.221 186 ASP LLL OD1  
6029 O OD2  . ASP B 186 ? 0.639 0.632 1.077 0.029  -0.162 -0.198 186 ASP LLL OD2  
6030 H H    . ASP B 186 ? 0.668 0.646 1.006 0.077  -0.195 -0.218 186 ASP LLL H    
6031 H HA   . ASP B 186 ? 0.667 0.625 1.059 0.052  -0.176 -0.208 186 ASP LLL HA   
6032 H HB2  . ASP B 186 ? 0.646 0.623 1.001 0.051  -0.166 -0.182 186 ASP LLL HB2  
6033 H HB3  . ASP B 186 ? 0.646 0.608 1.021 0.038  -0.152 -0.169 186 ASP LLL HB3  
6034 N N    . TYR B 187 ? 0.641 0.590 0.928 0.072  -0.167 -0.174 187 TYR LLL N    
6035 C CA   . TYR B 187 ? 0.628 0.567 0.883 0.077  -0.159 -0.160 187 TYR LLL CA   
6036 C C    . TYR B 187 ? 0.655 0.583 0.910 0.084  -0.165 -0.171 187 TYR LLL C    
6037 O O    . TYR B 187 ? 0.643 0.563 0.896 0.081  -0.156 -0.159 187 TYR LLL O    
6038 C CB   . TYR B 187 ? 0.615 0.556 0.828 0.089  -0.159 -0.157 187 TYR LLL CB   
6039 C CG   . TYR B 187 ? 0.583 0.516 0.766 0.093  -0.148 -0.144 187 TYR LLL CG   
6040 C CD1  . TYR B 187 ? 0.561 0.494 0.745 0.082  -0.135 -0.126 187 TYR LLL CD1  
6041 C CD2  . TYR B 187 ? 0.592 0.516 0.744 0.107  -0.151 -0.152 187 TYR LLL CD2  
6042 C CE1  . TYR B 187 ? 0.549 0.478 0.712 0.086  -0.126 -0.117 187 TYR LLL CE1  
6043 C CE2  . TYR B 187 ? 0.586 0.503 0.714 0.110  -0.140 -0.142 187 TYR LLL CE2  
6044 C CZ   . TYR B 187 ? 0.568 0.489 0.704 0.098  -0.127 -0.125 187 TYR LLL CZ   
6045 O OH   . TYR B 187 ? 0.561 0.479 0.679 0.101  -0.116 -0.118 187 TYR LLL OH   
6046 H H    . TYR B 187 ? 0.639 0.595 0.917 0.077  -0.172 -0.178 187 TYR LLL H    
6047 H HA   . TYR B 187 ? 0.620 0.558 0.879 0.069  -0.149 -0.146 187 TYR LLL HA   
6048 H HB2  . TYR B 187 ? 0.602 0.549 0.816 0.084  -0.156 -0.151 187 TYR LLL HB2  
6049 H HB3  . TYR B 187 ? 0.624 0.564 0.829 0.099  -0.169 -0.171 187 TYR LLL HB3  
6050 H HD1  . TYR B 187 ? 0.550 0.488 0.752 0.074  -0.132 -0.120 187 TYR LLL HD1  
6051 H HD2  . TYR B 187 ? 0.606 0.528 0.753 0.116  -0.161 -0.165 187 TYR LLL HD2  
6052 H HE1  . TYR B 187 ? 0.543 0.474 0.708 0.080  -0.118 -0.106 187 TYR LLL HE1  
6053 H HE2  . TYR B 187 ? 0.603 0.513 0.710 0.119  -0.140 -0.147 187 TYR LLL HE2  
6055 N N    . GLU B 188 ? 0.705 0.634 0.963 0.094  -0.180 -0.193 188 GLU LLL N    
6056 C CA   . GLU B 188 ? 0.748 0.666 1.002 0.104  -0.186 -0.205 188 GLU LLL CA   
6057 C C    . GLU B 188 ? 0.723 0.636 1.018 0.091  -0.184 -0.206 188 GLU LLL C    
6058 O O    . GLU B 188 ? 0.726 0.628 1.019 0.097  -0.186 -0.212 188 GLU LLL O    
6059 C CB   . GLU B 188 ? 0.828 0.748 1.072 0.120  -0.205 -0.230 188 GLU LLL CB   
6060 C CG   . GLU B 188 ? 0.894 0.814 1.093 0.137  -0.208 -0.229 188 GLU LLL CG   
6061 C CD   . GLU B 188 ? 0.945 0.853 1.098 0.145  -0.196 -0.215 188 GLU LLL CD   
6062 O OE1  . GLU B 188 ? 1.055 0.957 1.212 0.140  -0.187 -0.207 188 GLU LLL OE1  
6063 O OE2  . GLU B 188 ? 0.973 0.878 1.089 0.157  -0.195 -0.213 188 GLU LLL OE2  
6064 H H    . GLU B 188 ? 0.705 0.641 0.968 0.098  -0.187 -0.202 188 GLU LLL H    
6065 H HA   . GLU B 188 ? 0.749 0.662 0.980 0.108  -0.180 -0.195 188 GLU LLL HA   
6066 H HB2  . GLU B 188 ? 0.825 0.753 1.097 0.116  -0.212 -0.241 188 GLU LLL HB2  
6067 H HB3  . GLU B 188 ? 0.837 0.750 1.079 0.126  -0.208 -0.237 188 GLU LLL HB3  
6068 H HG2  . GLU B 188 ? 0.878 0.806 1.081 0.131  -0.205 -0.224 188 GLU LLL HG2  
6069 H HG3  . GLU B 188 ? 0.906 0.827 1.101 0.148  -0.221 -0.247 188 GLU LLL HG3  
6070 N N    . LYS B 189 ? 0.709 0.625 1.036 0.076  -0.177 -0.201 189 LYS LLL N    
6071 C CA   . LYS B 189 ? 0.732 0.638 1.096 0.064  -0.171 -0.200 189 LYS LLL CA   
6072 C C    . LYS B 189 ? 0.720 0.613 1.072 0.059  -0.156 -0.177 189 LYS LLL C    
6073 O O    . LYS B 189 ? 0.750 0.629 1.124 0.052  -0.150 -0.175 189 LYS LLL O    
6074 C CB   . LYS B 189 ? 0.743 0.655 1.146 0.049  -0.166 -0.202 189 LYS LLL CB   
6075 C CG   . LYS B 189 ? 0.785 0.711 1.217 0.051  -0.181 -0.230 189 LYS LLL CG   
6076 C CD   . LYS B 189 ? 0.790 0.725 1.260 0.037  -0.175 -0.232 189 LYS LLL CD   
6077 C CE   . LYS B 189 ? 0.822 0.775 1.321 0.041  -0.193 -0.264 189 LYS LLL CE   
6078 N NZ   . LYS B 189 ? 0.861 0.817 1.417 0.025  -0.186 -0.275 189 LYS LLL NZ   
6079 H H    . LYS B 189 ? 0.706 0.630 1.034 0.072  -0.175 -0.197 189 LYS LLL H    
6080 H HA   . LYS B 189 ? 0.742 0.644 1.115 0.068  -0.179 -0.215 189 LYS LLL HA   
6081 H HB2  . LYS B 189 ? 0.735 0.654 1.127 0.046  -0.160 -0.190 189 LYS LLL HB2  
6082 H HB3  . LYS B 189 ? 0.751 0.652 1.172 0.041  -0.157 -0.196 189 LYS LLL HB3  
6083 H HG2  . LYS B 189 ? 0.791 0.710 1.238 0.052  -0.186 -0.242 189 LYS LLL HG2  
6084 H HG3  . LYS B 189 ? 0.780 0.713 1.189 0.062  -0.191 -0.236 189 LYS LLL HG3  
6085 H HD2  . LYS B 189 ? 0.781 0.722 1.237 0.035  -0.169 -0.219 189 LYS LLL HD2  
6086 H HD3  . LYS B 189 ? 0.797 0.722 1.290 0.026  -0.165 -0.228 189 LYS LLL HD3  
6087 H HE2  . LYS B 189 ? 0.835 0.786 1.328 0.051  -0.204 -0.277 189 LYS LLL HE2  
6088 H HE3  . LYS B 189 ? 0.818 0.783 1.301 0.047  -0.198 -0.264 189 LYS LLL HE3  
6089 H HZ1  . LYS B 189 ? 0.841 0.798 1.402 0.016  -0.174 -0.262 189 LYS LLL HZ1  
6090 H HZ2  . LYS B 189 ? 0.853 0.822 1.427 0.028  -0.197 -0.295 189 LYS LLL HZ2  
6091 H HZ3  . LYS B 189 ? 0.858 0.803 1.429 0.020  -0.182 -0.277 189 LYS LLL HZ3  
6092 N N    . HIS B 190 ? 0.711 0.607 1.030 0.063  -0.149 -0.160 190 HIS LLL N    
6093 C CA   . HIS B 190 ? 0.703 0.590 1.014 0.059  -0.136 -0.139 190 HIS LLL CA   
6094 C C    . HIS B 190 ? 0.696 0.585 0.974 0.070  -0.135 -0.134 190 HIS LLL C    
6095 O O    . HIS B 190 ? 0.669 0.565 0.926 0.078  -0.141 -0.142 190 HIS LLL O    
6096 C CB   . HIS B 190 ? 0.709 0.602 1.024 0.049  -0.126 -0.123 190 HIS LLL CB   
6097 C CG   . HIS B 190 ? 0.736 0.626 1.087 0.038  -0.123 -0.127 190 HIS LLL CG   
6098 N ND1  . HIS B 190 ? 0.754 0.657 1.120 0.034  -0.127 -0.137 190 HIS LLL ND1  
6099 C CD2  . HIS B 190 ? 0.744 0.617 1.119 0.030  -0.114 -0.123 190 HIS LLL CD2  
6100 C CE1  . HIS B 190 ? 0.758 0.656 1.159 0.022  -0.121 -0.141 190 HIS LLL CE1  
6101 N NE2  . HIS B 190 ? 0.769 0.646 1.175 0.019  -0.112 -0.131 190 HIS LLL NE2  
6102 H H    . HIS B 190 ? 0.706 0.609 1.006 0.069  -0.152 -0.161 190 HIS LLL H    
6103 H HA   . HIS B 190 ? 0.716 0.592 1.042 0.057  -0.134 -0.140 190 HIS LLL HA   
6104 H HB2  . HIS B 190 ? 0.701 0.604 1.002 0.051  -0.127 -0.122 190 HIS LLL HB2  
6105 H HB3  . HIS B 190 ? 0.708 0.595 1.014 0.049  -0.118 -0.110 190 HIS LLL HB3  
6107 H HD2  . HIS B 190 ? 0.759 0.619 1.130 0.031  -0.110 -0.117 190 HIS LLL HD2  
6108 H HE1  . HIS B 190 ? 0.755 0.661 1.175 0.017  -0.123 -0.148 190 HIS LLL HE1  
6110 N N    . LYS B 191 ? 0.693 0.574 0.966 0.070  -0.128 -0.122 191 LYS LLL N    
6111 C CA   . LYS B 191 ? 0.730 0.613 0.977 0.080  -0.126 -0.119 191 LYS LLL CA   
6112 C C    . LYS B 191 ? 0.663 0.555 0.895 0.078  -0.117 -0.103 191 LYS LLL C    
6113 O O    . LYS B 191 ? 0.624 0.525 0.834 0.083  -0.115 -0.104 191 LYS LLL O    
6114 C CB   . LYS B 191 ? 0.827 0.697 1.080 0.084  -0.126 -0.120 191 LYS LLL CB   
6115 C CG   . LYS B 191 ? 0.916 0.787 1.151 0.096  -0.128 -0.128 191 LYS LLL CG   
6116 C CD   . LYS B 191 ? 1.027 0.887 1.269 0.102  -0.138 -0.145 191 LYS LLL CD   
6117 C CE   . LYS B 191 ? 1.106 0.971 1.345 0.105  -0.147 -0.161 191 LYS LLL CE   
6118 N NZ   . LYS B 191 ? 1.139 1.010 1.346 0.115  -0.146 -0.163 191 LYS LLL NZ   
6119 H H    . LYS B 191 ? 0.705 0.578 0.989 0.065  -0.123 -0.115 191 LYS LLL H    
6120 H HA   . LYS B 191 ? 0.730 0.616 0.966 0.086  -0.131 -0.129 191 LYS LLL HA   
6121 H HB2  . LYS B 191 ? 0.834 0.695 1.104 0.082  -0.130 -0.127 191 LYS LLL HB2  
6122 H HB3  . LYS B 191 ? 0.821 0.688 1.075 0.082  -0.120 -0.109 191 LYS LLL HB3  
6123 H HG2  . LYS B 191 ? 0.915 0.784 1.146 0.098  -0.124 -0.121 191 LYS LLL HG2  
6124 H HG3  . LYS B 191 ? 0.910 0.789 1.129 0.098  -0.128 -0.129 191 LYS LLL HG3  
6125 H HD2  . LYS B 191 ? 1.026 0.877 1.286 0.098  -0.138 -0.145 191 LYS LLL HD2  
6126 H HD3  . LYS B 191 ? 1.026 0.884 1.257 0.109  -0.137 -0.148 191 LYS LLL HD3  
6127 H HE2  . LYS B 191 ? 1.089 0.957 1.337 0.099  -0.148 -0.159 191 LYS LLL HE2  
6128 H HE3  . LYS B 191 ? 1.108 0.965 1.356 0.108  -0.154 -0.172 191 LYS LLL HE3  
6129 H HZ1  . LYS B 191 ? 1.131 1.000 1.329 0.119  -0.143 -0.162 191 LYS LLL HZ1  
6130 H HZ2  . LYS B 191 ? 1.137 1.008 1.339 0.121  -0.153 -0.174 191 LYS LLL HZ2  
6131 H HZ3  . LYS B 191 ? 1.117 0.996 1.318 0.112  -0.141 -0.155 191 LYS LLL HZ3  
6132 N N    . VAL B 192 ? 0.622 0.511 0.864 0.072  -0.110 -0.090 192 VAL LLL N    
6133 C CA   . VAL B 192 ? 0.642 0.539 0.870 0.072  -0.103 -0.076 192 VAL LLL CA   
6134 C C    . VAL B 192 ? 0.623 0.529 0.851 0.064  -0.099 -0.067 192 VAL LLL C    
6135 O O    . VAL B 192 ? 0.632 0.531 0.875 0.057  -0.097 -0.063 192 VAL LLL O    
6136 C CB   . VAL B 192 ? 0.657 0.543 0.889 0.076  -0.099 -0.067 192 VAL LLL CB   
6137 C CG1  . VAL B 192 ? 0.674 0.572 0.893 0.078  -0.094 -0.056 192 VAL LLL CG1  
6138 C CG2  . VAL B 192 ? 0.674 0.551 0.906 0.084  -0.103 -0.075 192 VAL LLL CG2  
6139 H H    . VAL B 192 ? 0.643 0.525 0.900 0.067  -0.110 -0.089 192 VAL LLL H    
6140 H HA   . VAL B 192 ? 0.633 0.536 0.848 0.077  -0.103 -0.079 192 VAL LLL HA   
6141 H HB   . VAL B 192 ? 0.668 0.545 0.911 0.071  -0.097 -0.062 192 VAL LLL HB   
6142 H HG11 . VAL B 192 ? 0.661 0.560 0.881 0.073  -0.091 -0.048 192 VAL LLL HG11 
6143 H HG12 . VAL B 192 ? 0.674 0.565 0.892 0.083  -0.093 -0.052 192 VAL LLL HG12 
6144 H HG13 . VAL B 192 ? 0.658 0.566 0.868 0.080  -0.094 -0.060 192 VAL LLL HG13 
6145 H HG21 . VAL B 192 ? 0.670 0.554 0.893 0.090  -0.102 -0.074 192 VAL LLL HG21 
6146 H HG22 . VAL B 192 ? 0.685 0.549 0.926 0.084  -0.103 -0.073 192 VAL LLL HG22 
6147 H HG23 . VAL B 192 ? 0.675 0.553 0.907 0.085  -0.107 -0.085 192 VAL LLL HG23 
6148 N N    . TYR B 193 ? 0.606 0.525 0.817 0.066  -0.096 -0.066 193 TYR LLL N    
6149 C CA   . TYR B 193 ? 0.561 0.490 0.767 0.060  -0.093 -0.059 193 TYR LLL CA   
6150 C C    . TYR B 193 ? 0.533 0.471 0.730 0.061  -0.086 -0.049 193 TYR LLL C    
6151 O O    . TYR B 193 ? 0.493 0.435 0.680 0.067  -0.085 -0.053 193 TYR LLL O    
6152 C CB   . TYR B 193 ? 0.551 0.485 0.744 0.062  -0.096 -0.068 193 TYR LLL CB   
6153 C CG   . TYR B 193 ? 0.552 0.482 0.758 0.062  -0.104 -0.080 193 TYR LLL CG   
6154 C CD1  . TYR B 193 ? 0.592 0.514 0.801 0.068  -0.111 -0.093 193 TYR LLL CD1  
6155 C CD2  . TYR B 193 ? 0.525 0.459 0.743 0.055  -0.106 -0.079 193 TYR LLL CD2  
6156 C CE1  . TYR B 193 ? 0.599 0.518 0.823 0.068  -0.121 -0.106 193 TYR LLL CE1  
6157 C CE2  . TYR B 193 ? 0.539 0.472 0.773 0.055  -0.114 -0.093 193 TYR LLL CE2  
6158 C CZ   . TYR B 193 ? 0.574 0.499 0.812 0.061  -0.122 -0.107 193 TYR LLL CZ   
6159 O OH   . TYR B 193 ? 0.607 0.533 0.865 0.061  -0.132 -0.122 193 TYR LLL OH   
6160 H H    . TYR B 193 ? 0.600 0.521 0.801 0.071  -0.096 -0.071 193 TYR LLL H    
6161 H HA   . TYR B 193 ? 0.562 0.488 0.780 0.055  -0.092 -0.056 193 TYR LLL HA   
6162 H HB2  . TYR B 193 ? 0.554 0.489 0.736 0.068  -0.095 -0.073 193 TYR LLL HB2  
6163 H HB3  . TYR B 193 ? 0.542 0.484 0.730 0.059  -0.092 -0.063 193 TYR LLL HB3  
6164 H HD1  . TYR B 193 ? 0.587 0.506 0.789 0.072  -0.110 -0.093 193 TYR LLL HD1  
6165 H HD2  . TYR B 193 ? 0.525 0.465 0.740 0.051  -0.101 -0.071 193 TYR LLL HD2  
6166 H HE1  . TYR B 193 ? 0.603 0.517 0.829 0.073  -0.126 -0.115 193 TYR LLL HE1  
6167 H HE2  . TYR B 193 ? 0.541 0.478 0.785 0.050  -0.115 -0.093 193 TYR LLL HE2  
6169 N N    . ALA B 194 ? 0.538 0.475 0.738 0.057  -0.082 -0.037 194 ALA LLL N    
6170 C CA   . ALA B 194 ? 0.546 0.490 0.739 0.060  -0.078 -0.028 194 ALA LLL CA   
6171 C C    . ALA B 194 ? 0.525 0.475 0.715 0.054  -0.074 -0.018 194 ALA LLL C    
6172 O O    . ALA B 194 ? 0.506 0.451 0.705 0.048  -0.072 -0.014 194 ALA LLL O    
6173 C CB   . ALA B 194 ? 0.573 0.504 0.771 0.066  -0.078 -0.023 194 ALA LLL CB   
6174 H H    . ALA B 194 ? 0.540 0.474 0.748 0.052  -0.082 -0.034 194 ALA LLL H    
6175 H HA   . ALA B 194 ? 0.539 0.491 0.725 0.063  -0.078 -0.032 194 ALA LLL HA   
6176 H HB1  . ALA B 194 ? 0.568 0.504 0.760 0.069  -0.077 -0.018 194 ALA LLL HB1  
6177 H HB2  . ALA B 194 ? 0.574 0.503 0.774 0.069  -0.081 -0.029 194 ALA LLL HB2  
6178 H HB3  . ALA B 194 ? 0.576 0.497 0.781 0.062  -0.077 -0.018 194 ALA LLL HB3  
6179 N N    . CYS B 195 ? 0.538 0.503 0.719 0.056  -0.071 -0.016 195 CYS LLL N    
6180 C CA   . CYS B 195 ? 0.562 0.532 0.739 0.053  -0.067 -0.006 195 CYS LLL CA   
6181 C C    . CYS B 195 ? 0.534 0.507 0.705 0.060  -0.067 -0.001 195 CYS LLL C    
6182 O O    . CYS B 195 ? 0.504 0.487 0.675 0.066  -0.069 -0.008 195 CYS LLL O    
6183 C CB   . CYS B 195 ? 0.596 0.579 0.765 0.048  -0.065 -0.009 195 CYS LLL CB   
6184 S SG   . CYS B 195 ? 0.670 0.666 0.832 0.052  -0.062 -0.018 195 CYS LLL SG   
6185 H H    . CYS B 195 ? 0.536 0.507 0.713 0.059  -0.071 -0.021 195 CYS LLL H    
6186 H HA   . CYS B 195 ? 0.562 0.525 0.744 0.049  -0.066 -0.001 195 CYS LLL HA   
6187 H HB2  . CYS B 195 ? 0.598 0.585 0.765 0.046  -0.063 -0.002 195 CYS LLL HB2  
6188 H HB3  . CYS B 195 ? 0.601 0.581 0.771 0.045  -0.066 -0.012 195 CYS LLL HB3  
6189 N N    . GLU B 196 ? 0.520 0.485 0.690 0.061  -0.065 0.011  196 GLU LLL N    
6190 C CA   . GLU B 196 ? 0.532 0.494 0.693 0.071  -0.065 0.018  196 GLU LLL CA   
6191 C C    . GLU B 196 ? 0.505 0.480 0.658 0.070  -0.063 0.023  196 GLU LLL C    
6192 O O    . GLU B 196 ? 0.483 0.454 0.636 0.062  -0.058 0.029  196 GLU LLL O    
6193 C CB   . GLU B 196 ? 0.578 0.516 0.739 0.074  -0.061 0.029  196 GLU LLL CB   
6194 C CG   . GLU B 196 ? 0.614 0.543 0.759 0.088  -0.062 0.038  196 GLU LLL CG   
6195 C CD   . GLU B 196 ? 0.650 0.553 0.788 0.088  -0.053 0.053  196 GLU LLL CD   
6196 O OE1  . GLU B 196 ? 0.655 0.560 0.792 0.081  -0.046 0.060  196 GLU LLL OE1  
6197 O OE2  . GLU B 196 ? 0.696 0.577 0.830 0.096  -0.051 0.057  196 GLU LLL OE2  
6198 H H    . GLU B 196 ? 0.527 0.485 0.700 0.056  -0.062 0.015  196 GLU LLL H    
6199 H HA   . GLU B 196 ? 0.534 0.501 0.694 0.078  -0.069 0.013  196 GLU LLL HA   
6200 H HB2  . GLU B 196 ? 0.581 0.511 0.749 0.073  -0.063 0.025  196 GLU LLL HB2  
6201 H HB3  . GLU B 196 ? 0.576 0.509 0.739 0.067  -0.057 0.034  196 GLU LLL HB3  
6202 H HG2  . GLU B 196 ? 0.605 0.548 0.744 0.091  -0.064 0.037  196 GLU LLL HG2  
6203 H HG3  . GLU B 196 ? 0.620 0.546 0.765 0.095  -0.066 0.033  196 GLU LLL HG3  
6204 N N    . VAL B 197 ? 0.494 0.483 0.642 0.078  -0.067 0.019  197 VAL LLL N    
6205 C CA   . VAL B 197 ? 0.498 0.503 0.640 0.077  -0.066 0.020  197 VAL LLL CA   
6206 C C    . VAL B 197 ? 0.511 0.513 0.640 0.091  -0.069 0.026  197 VAL LLL C    
6207 O O    . VAL B 197 ? 0.516 0.519 0.643 0.103  -0.075 0.021  197 VAL LLL O    
6208 C CB   . VAL B 197 ? 0.493 0.518 0.642 0.074  -0.067 0.006  197 VAL LLL CB   
6209 C CG1  . VAL B 197 ? 0.491 0.532 0.636 0.074  -0.066 0.004  197 VAL LLL CG1  
6210 C CG2  . VAL B 197 ? 0.499 0.521 0.653 0.063  -0.063 0.001  197 VAL LLL CG2  
6211 H H    . VAL B 197 ? 0.505 0.495 0.653 0.085  -0.070 0.014  197 VAL LLL H    
6212 H HA   . VAL B 197 ? 0.493 0.494 0.634 0.070  -0.062 0.025  197 VAL LLL HA   
6213 H HB   . VAL B 197 ? 0.499 0.528 0.652 0.080  -0.070 -0.000 197 VAL LLL HB   
6214 H HG11 . VAL B 197 ? 0.495 0.542 0.639 0.083  -0.071 0.002  197 VAL LLL HG11 
6215 H HG12 . VAL B 197 ? 0.478 0.529 0.628 0.069  -0.064 -0.003 197 VAL LLL HG12 
6216 H HG13 . VAL B 197 ? 0.490 0.526 0.629 0.071  -0.064 0.012  197 VAL LLL HG13 
6217 H HG21 . VAL B 197 ? 0.492 0.510 0.644 0.058  -0.060 0.007  197 VAL LLL HG21 
6218 H HG22 . VAL B 197 ? 0.486 0.518 0.642 0.061  -0.061 -0.006 197 VAL LLL HG22 
6219 H HG23 . VAL B 197 ? 0.500 0.514 0.657 0.064  -0.064 -0.000 197 VAL LLL HG23 
6220 N N    . THR B 198 ? 0.528 0.525 0.646 0.091  -0.065 0.037  198 THR LLL N    
6221 C CA   . THR B 198 ? 0.526 0.521 0.627 0.106  -0.068 0.043  198 THR LLL CA   
6222 C C    . THR B 198 ? 0.491 0.509 0.591 0.104  -0.070 0.037  198 THR LLL C    
6223 O O    . THR B 198 ? 0.458 0.481 0.564 0.091  -0.065 0.037  198 THR LLL O    
6224 C CB   . THR B 198 ? 0.556 0.526 0.643 0.107  -0.059 0.061  198 THR LLL CB   
6225 O OG1  . THR B 198 ? 0.576 0.527 0.670 0.104  -0.056 0.063  198 THR LLL OG1  
6226 C CG2  . THR B 198 ? 0.605 0.567 0.667 0.125  -0.061 0.068  198 THR LLL CG2  
6227 H H    . THR B 198 ? 0.514 0.509 0.634 0.082  -0.060 0.041  198 THR LLL H    
6228 H HA   . THR B 198 ? 0.538 0.532 0.636 0.116  -0.073 0.039  198 THR LLL HA   
6229 H HB   . THR B 198 ? 0.550 0.523 0.641 0.097  -0.054 0.063  198 THR LLL HB   
6231 H HG21 . THR B 198 ? 0.590 0.565 0.649 0.125  -0.063 0.067  198 THR LLL HG21 
6232 H HG22 . THR B 198 ? 0.617 0.559 0.670 0.127  -0.054 0.080  198 THR LLL HG22 
6233 H HG23 . THR B 198 ? 0.606 0.571 0.665 0.136  -0.068 0.063  198 THR LLL HG23 
6234 N N    . HIS B 199 ? 0.489 0.520 0.584 0.118  -0.078 0.029  199 HIS LLL N    
6235 C CA   . HIS B 199 ? 0.470 0.525 0.568 0.119  -0.082 0.019  199 HIS LLL CA   
6236 C C    . HIS B 199 ? 0.487 0.548 0.573 0.140  -0.093 0.014  199 HIS LLL C    
6237 O O    . HIS B 199 ? 0.462 0.520 0.549 0.152  -0.099 0.009  199 HIS LLL O    
6238 C CB   . HIS B 199 ? 0.444 0.519 0.564 0.106  -0.081 0.003  199 HIS LLL CB   
6239 C CG   . HIS B 199 ? 0.427 0.523 0.551 0.104  -0.082 -0.006 199 HIS LLL CG   
6240 N ND1  . HIS B 199 ? 0.412 0.529 0.545 0.114  -0.090 -0.022 199 HIS LLL ND1  
6241 C CD2  . HIS B 199 ? 0.421 0.520 0.543 0.094  -0.076 -0.002 199 HIS LLL CD2  
6242 C CE1  . HIS B 199 ? 0.410 0.542 0.547 0.109  -0.089 -0.028 199 HIS LLL CE1  
6243 N NE2  . HIS B 199 ? 0.411 0.531 0.540 0.097  -0.080 -0.016 199 HIS LLL NE2  
6244 H H    . HIS B 199 ? 0.503 0.530 0.594 0.129  -0.083 0.027  199 HIS LLL H    
6245 H HA   . HIS B 199 ? 0.470 0.520 0.560 0.114  -0.078 0.027  199 HIS LLL HA   
6246 H HB2  . HIS B 199 ? 0.434 0.503 0.558 0.095  -0.075 0.007  199 HIS LLL HB2  
6247 H HB3  . HIS B 199 ? 0.444 0.525 0.572 0.111  -0.085 -0.005 199 HIS LLL HB3  
6249 H HD2  . HIS B 199 ? 0.416 0.504 0.533 0.086  -0.071 0.006  199 HIS LLL HD2  
6250 H HE1  . HIS B 199 ? 0.409 0.558 0.555 0.113  -0.094 -0.041 199 HIS LLL HE1  
6252 N N    . GLN B 200 ? 0.495 0.566 0.571 0.146  -0.096 0.013  200 GLN LLL N    
6253 C CA   . GLN B 200 ? 0.539 0.619 0.602 0.169  -0.108 0.006  200 GLN LLL CA   
6254 C C    . GLN B 200 ? 0.517 0.621 0.602 0.175  -0.119 -0.016 200 GLN LLL C    
6255 O O    . GLN B 200 ? 0.566 0.671 0.640 0.197  -0.131 -0.021 200 GLN LLL O    
6256 C CB   . GLN B 200 ? 0.564 0.657 0.621 0.169  -0.109 0.004  200 GLN LLL CB   
6257 C CG   . GLN B 200 ? 0.662 0.752 0.692 0.194  -0.119 0.005  200 GLN LLL CG   
6258 C CD   . GLN B 200 ? 0.675 0.787 0.706 0.197  -0.125 -0.006 200 GLN LLL CD   
6259 O OE1  . GLN B 200 ? 0.730 0.845 0.766 0.181  -0.117 -0.002 200 GLN LLL OE1  
6260 N NE2  . GLN B 200 ? 0.767 0.894 0.793 0.219  -0.140 -0.021 200 GLN LLL NE2  
6261 H H    . GLN B 200 ? 0.489 0.562 0.566 0.137  -0.091 0.016  200 GLN LLL H    
6262 H HA   . GLN B 200 ? 0.560 0.622 0.604 0.180  -0.108 0.017  200 GLN LLL HA   
6263 H HB2  . GLN B 200 ? 0.567 0.649 0.618 0.159  -0.100 0.016  200 GLN LLL HB2  
6264 H HB3  . GLN B 200 ? 0.553 0.666 0.629 0.162  -0.111 -0.010 200 GLN LLL HB3  
6265 H HG2  . GLN B 200 ? 0.660 0.754 0.691 0.207  -0.128 -0.003 200 GLN LLL HG2  
6266 H HG3  . GLN B 200 ? 0.668 0.736 0.677 0.199  -0.114 0.021  200 GLN LLL HG3  
6269 N N    . GLY B 201 ? 0.479 0.600 0.592 0.158  -0.115 -0.029 201 GLY LLL N    
6270 C CA   . GLY B 201 ? 0.474 0.618 0.612 0.162  -0.122 -0.051 201 GLY LLL CA   
6271 C C    . GLY B 201 ? 0.467 0.599 0.607 0.167  -0.123 -0.050 201 GLY LLL C    
6272 O O    . GLY B 201 ? 0.455 0.606 0.616 0.171  -0.129 -0.068 201 GLY LLL O    
6273 H H    . GLY B 201 ? 0.468 0.586 0.586 0.144  -0.107 -0.025 201 GLY LLL H    
6274 H HA2  . GLY B 201 ? 0.479 0.636 0.616 0.176  -0.131 -0.061 201 GLY LLL HA2  
6275 H HA3  . GLY B 201 ? 0.450 0.607 0.606 0.148  -0.116 -0.059 201 GLY LLL HA3  
6276 N N    . LEU B 202 ? 0.477 0.579 0.599 0.165  -0.117 -0.030 202 LEU LLL N    
6277 C CA   . LEU B 202 ? 0.478 0.566 0.602 0.169  -0.118 -0.028 202 LEU LLL CA   
6278 C C    . LEU B 202 ? 0.507 0.574 0.603 0.192  -0.125 -0.017 202 LEU LLL C    
6279 O O    . LEU B 202 ? 0.555 0.606 0.628 0.196  -0.122 -0.002 202 LEU LLL O    
6280 C CB   . LEU B 202 ? 0.455 0.523 0.580 0.151  -0.106 -0.016 202 LEU LLL CB   
6281 C CG   . LEU B 202 ? 0.427 0.509 0.572 0.130  -0.097 -0.024 202 LEU LLL CG   
6282 C CD1  . LEU B 202 ? 0.414 0.476 0.557 0.116  -0.088 -0.011 202 LEU LLL CD1  
6283 C CD2  . LEU B 202 ? 0.412 0.514 0.580 0.129  -0.099 -0.043 202 LEU LLL CD2  
6284 H H    . LEU B 202 ? 0.477 0.566 0.588 0.160  -0.112 -0.018 202 LEU LLL H    
6285 H HA   . LEU B 202 ? 0.469 0.573 0.609 0.171  -0.122 -0.042 202 LEU LLL HA   
6286 H HB2  . LEU B 202 ? 0.466 0.520 0.577 0.150  -0.102 -0.002 202 LEU LLL HB2  
6287 H HB3  . LEU B 202 ? 0.466 0.525 0.592 0.154  -0.106 -0.015 202 LEU LLL HB3  
6288 H HG   . LEU B 202 ? 0.417 0.509 0.562 0.127  -0.096 -0.025 202 LEU LLL HG   
6289 H HD11 . LEU B 202 ? 0.422 0.473 0.553 0.115  -0.086 0.000  202 LEU LLL HD11 
6290 H HD12 . LEU B 202 ? 0.401 0.470 0.553 0.105  -0.083 -0.016 202 LEU LLL HD12 
6291 H HD13 . LEU B 202 ? 0.425 0.476 0.567 0.119  -0.089 -0.010 202 LEU LLL HD13 
6292 H HD21 . LEU B 202 ? 0.422 0.517 0.590 0.135  -0.102 -0.043 202 LEU LLL HD21 
6293 H HD22 . LEU B 202 ? 0.399 0.505 0.576 0.117  -0.092 -0.046 202 LEU LLL HD22 
6294 H HD23 . LEU B 202 ? 0.413 0.533 0.588 0.136  -0.105 -0.054 202 LEU LLL HD23 
6295 N N    . SER B 203 ? 0.522 0.591 0.619 0.209  -0.135 -0.026 203 SER LLL N    
6296 C CA   . SER B 203 ? 0.563 0.609 0.629 0.235  -0.143 -0.017 203 SER LLL CA   
6297 C C    . SER B 203 ? 0.583 0.588 0.630 0.230  -0.130 0.007  203 SER LLL C    
6298 O O    . SER B 203 ? 0.612 0.591 0.629 0.245  -0.128 0.022  203 SER LLL O    
6299 C CB   . SER B 203 ? 0.546 0.604 0.621 0.253  -0.155 -0.033 203 SER LLL CB   
6300 O OG   . SER B 203 ? 0.528 0.582 0.622 0.240  -0.150 -0.036 203 SER LLL OG   
6301 H H    . SER B 203 ? 0.511 0.594 0.626 0.207  -0.137 -0.039 203 SER LLL H    
6302 H HA   . SER B 203 ? 0.568 0.617 0.620 0.245  -0.147 -0.015 203 SER LLL HA   
6303 H HB2  . SER B 203 ? 0.581 0.622 0.633 0.272  -0.161 -0.027 203 SER LLL HB2  
6304 H HB3  . SER B 203 ? 0.540 0.625 0.630 0.256  -0.163 -0.050 203 SER LLL HB3  
6306 N N    . SER B 204 ? 0.580 0.582 0.647 0.209  -0.121 0.008  204 SER LLL N    
6307 C CA   . SER B 204 ? 0.589 0.558 0.649 0.198  -0.109 0.025  204 SER LLL CA   
6308 C C    . SER B 204 ? 0.556 0.538 0.641 0.172  -0.101 0.021  204 SER LLL C    
6309 O O    . SER B 204 ? 0.514 0.523 0.619 0.166  -0.105 0.005  204 SER LLL O    
6310 C CB   . SER B 204 ? 0.609 0.559 0.667 0.208  -0.111 0.026  204 SER LLL CB   
6311 O OG   . SER B 204 ? 0.648 0.580 0.677 0.234  -0.117 0.032  204 SER LLL OG   
6312 H H    . SER B 204 ? 0.554 0.575 0.641 0.200  -0.122 -0.004 204 SER LLL H    
6313 H HA   . SER B 204 ? 0.605 0.558 0.648 0.201  -0.104 0.038  204 SER LLL HA   
6314 H HB2  . SER B 204 ? 0.596 0.563 0.670 0.207  -0.117 0.013  204 SER LLL HB2  
6315 H HB3  . SER B 204 ? 0.611 0.543 0.671 0.198  -0.102 0.035  204 SER LLL HB3  
6317 N N    . PRO B 205 ? 0.572 0.532 0.657 0.159  -0.090 0.034  205 PRO LLL N    
6318 C CA   . PRO B 205 ? 0.559 0.528 0.663 0.137  -0.084 0.030  205 PRO LLL CA   
6319 C C    . PRO B 205 ? 0.554 0.532 0.675 0.135  -0.088 0.016  205 PRO LLL C    
6320 O O    . PRO B 205 ? 0.598 0.563 0.717 0.144  -0.091 0.016  205 PRO LLL O    
6321 C CB   . PRO B 205 ? 0.574 0.517 0.675 0.127  -0.073 0.045  205 PRO LLL CB   
6322 C CG   . PRO B 205 ? 0.597 0.521 0.673 0.142  -0.070 0.059  205 PRO LLL CG   
6323 C CD   . PRO B 205 ? 0.613 0.539 0.677 0.163  -0.081 0.053  205 PRO LLL CD   
6324 H HA   . PRO B 205 ? 0.542 0.528 0.650 0.132  -0.084 0.026  205 PRO LLL HA   
6325 H HB2  . PRO B 205 ? 0.577 0.508 0.684 0.126  -0.072 0.045  205 PRO LLL HB2  
6326 H HB3  . PRO B 205 ? 0.555 0.504 0.663 0.115  -0.069 0.045  205 PRO LLL HB3  
6327 H HG2  . PRO B 205 ? 0.614 0.515 0.686 0.139  -0.062 0.069  205 PRO LLL HG2  
6328 H HG3  . PRO B 205 ? 0.592 0.524 0.663 0.140  -0.069 0.062  205 PRO LLL HG3  
6329 H HD2  . PRO B 205 ? 0.626 0.536 0.689 0.168  -0.081 0.055  205 PRO LLL HD2  
6330 H HD3  . PRO B 205 ? 0.627 0.549 0.674 0.175  -0.083 0.058  205 PRO LLL HD3  
6331 N N    . VAL B 206 ? 0.552 0.552 0.689 0.123  -0.087 0.005  206 VAL LLL N    
6332 C CA   . VAL B 206 ? 0.572 0.582 0.726 0.119  -0.088 -0.009 206 VAL LLL CA   
6333 C C    . VAL B 206 ? 0.567 0.565 0.726 0.104  -0.081 -0.006 206 VAL LLL C    
6334 O O    . VAL B 206 ? 0.556 0.552 0.712 0.094  -0.076 0.000  206 VAL LLL O    
6335 C CB   . VAL B 206 ? 0.602 0.641 0.767 0.116  -0.089 -0.023 206 VAL LLL CB   
6336 C CG1  . VAL B 206 ? 0.613 0.659 0.792 0.108  -0.085 -0.036 206 VAL LLL CG1  
6337 C CG2  . VAL B 206 ? 0.622 0.675 0.786 0.133  -0.098 -0.031 206 VAL LLL CG2  
6338 H H    . VAL B 206 ? 0.542 0.550 0.680 0.116  -0.084 0.005  206 VAL LLL H    
6339 H HA   . VAL B 206 ? 0.588 0.591 0.740 0.128  -0.092 -0.011 206 VAL LLL HA   
6340 H HB   . VAL B 206 ? 0.589 0.632 0.752 0.109  -0.085 -0.020 206 VAL LLL HB   
6341 H HG11 . VAL B 206 ? 0.597 0.639 0.776 0.098  -0.079 -0.033 206 VAL LLL HG11 
6342 H HG12 . VAL B 206 ? 0.599 0.662 0.787 0.109  -0.085 -0.046 206 VAL LLL HG12 
6343 H HG13 . VAL B 206 ? 0.614 0.651 0.794 0.113  -0.087 -0.036 206 VAL LLL HG13 
6344 H HG21 . VAL B 206 ? 0.629 0.678 0.795 0.141  -0.102 -0.034 206 VAL LLL HG21 
6345 H HG22 . VAL B 206 ? 0.606 0.679 0.782 0.130  -0.098 -0.042 206 VAL LLL HG22 
6346 H HG23 . VAL B 206 ? 0.628 0.675 0.780 0.138  -0.100 -0.023 206 VAL LLL HG23 
6347 N N    . THR B 207 ? 0.576 0.566 0.741 0.104  -0.082 -0.011 207 THR LLL N    
6348 C CA   . THR B 207 ? 0.579 0.557 0.749 0.093  -0.079 -0.011 207 THR LLL CA   
6349 C C    . THR B 207 ? 0.553 0.544 0.730 0.090  -0.078 -0.025 207 THR LLL C    
6350 O O    . THR B 207 ? 0.555 0.554 0.737 0.098  -0.081 -0.034 207 THR LLL O    
6351 C CB   . THR B 207 ? 0.598 0.552 0.769 0.097  -0.080 -0.005 207 THR LLL CB   
6352 O OG1  . THR B 207 ? 0.614 0.555 0.776 0.100  -0.077 0.008  207 THR LLL OG1  
6353 C CG2  . THR B 207 ? 0.604 0.548 0.783 0.086  -0.078 -0.008 207 THR LLL CG2  
6354 H H    . THR B 207 ? 0.583 0.574 0.750 0.112  -0.086 -0.016 207 THR LLL H    
6355 H HA   . THR B 207 ? 0.568 0.546 0.737 0.086  -0.075 -0.007 207 THR LLL HA   
6356 H HB   . THR B 207 ? 0.608 0.561 0.779 0.105  -0.083 -0.010 207 THR LLL HB   
6358 H HG21 . THR B 207 ? 0.599 0.547 0.781 0.087  -0.080 -0.017 207 THR LLL HG21 
6359 H HG22 . THR B 207 ? 0.614 0.542 0.795 0.086  -0.077 -0.003 207 THR LLL HG22 
6360 H HG23 . THR B 207 ? 0.591 0.540 0.770 0.079  -0.075 -0.007 207 THR LLL HG23 
6361 N N    . LYS B 208 ? 0.559 0.552 0.737 0.080  -0.074 -0.028 208 LYS LLL N    
6362 C CA   . LYS B 208 ? 0.591 0.589 0.771 0.078  -0.071 -0.040 208 LYS LLL CA   
6363 C C    . LYS B 208 ? 0.594 0.576 0.772 0.074  -0.072 -0.040 208 LYS LLL C    
6364 O O    . LYS B 208 ? 0.563 0.537 0.740 0.068  -0.073 -0.033 208 LYS LLL O    
6365 C CB   . LYS B 208 ? 0.611 0.623 0.787 0.072  -0.063 -0.043 208 LYS LLL CB   
6366 C CG   . LYS B 208 ? 0.657 0.688 0.840 0.075  -0.062 -0.048 208 LYS LLL CG   
6367 C CD   . LYS B 208 ? 0.712 0.752 0.906 0.083  -0.063 -0.060 208 LYS LLL CD   
6368 C CE   . LYS B 208 ? 0.772 0.812 0.966 0.079  -0.054 -0.070 208 LYS LLL CE   
6369 N NZ   . LYS B 208 ? 0.816 0.871 1.024 0.084  -0.051 -0.084 208 LYS LLL NZ   
6370 H H    . LYS B 208 ? 0.560 0.549 0.735 0.074  -0.072 -0.022 208 LYS LLL H    
6371 H HA   . LYS B 208 ? 0.594 0.595 0.778 0.084  -0.072 -0.045 208 LYS LLL HA   
6372 H HB2  . LYS B 208 ? 0.611 0.620 0.782 0.067  -0.063 -0.037 208 LYS LLL HB2  
6373 H HB3  . LYS B 208 ? 0.616 0.626 0.790 0.070  -0.060 -0.050 208 LYS LLL HB3  
6374 H HG2  . LYS B 208 ? 0.657 0.688 0.839 0.078  -0.066 -0.042 208 LYS LLL HG2  
6375 H HG3  . LYS B 208 ? 0.648 0.686 0.829 0.070  -0.057 -0.050 208 LYS LLL HG3  
6376 H HD2  . LYS B 208 ? 0.721 0.753 0.915 0.088  -0.069 -0.058 208 LYS LLL HD2  
6377 H HD3  . LYS B 208 ? 0.710 0.763 0.909 0.085  -0.063 -0.064 208 LYS LLL HD3  
6378 H HE2  . LYS B 208 ? 0.761 0.803 0.950 0.072  -0.048 -0.069 208 LYS LLL HE2  
6379 H HE3  . LYS B 208 ? 0.773 0.801 0.962 0.079  -0.056 -0.069 208 LYS LLL HE3  
6380 H HZ1  . LYS B 208 ? 0.808 0.862 1.020 0.090  -0.057 -0.085 208 LYS LLL HZ1  
6381 H HZ2  . LYS B 208 ? 0.805 0.858 1.011 0.081  -0.044 -0.089 208 LYS LLL HZ2  
6382 H HZ3  . LYS B 208 ? 0.796 0.865 1.012 0.083  -0.049 -0.087 208 LYS LLL HZ3  
6383 N N    . SER B 209 ? 0.573 0.551 0.753 0.078  -0.073 -0.049 209 SER LLL N    
6384 C CA   . SER B 209 ? 0.588 0.550 0.769 0.078  -0.078 -0.053 209 SER LLL CA   
6385 C C    . SER B 209 ? 0.578 0.540 0.752 0.081  -0.075 -0.064 209 SER LLL C    
6386 O O    . SER B 209 ? 0.525 0.497 0.697 0.084  -0.070 -0.070 209 SER LLL O    
6387 C CB   . SER B 209 ? 0.603 0.554 0.792 0.085  -0.083 -0.052 209 SER LLL CB   
6388 O OG   . SER B 209 ? 0.695 0.642 0.886 0.085  -0.083 -0.040 209 SER LLL OG   
6389 H H    . SER B 209 ? 0.580 0.565 0.761 0.081  -0.071 -0.055 209 SER LLL H    
6390 H HA   . SER B 209 ? 0.583 0.540 0.764 0.074  -0.078 -0.049 209 SER LLL HA   
6391 H HB2  . SER B 209 ? 0.624 0.580 0.814 0.090  -0.083 -0.057 209 SER LLL HB2  
6392 H HB3  . SER B 209 ? 0.629 0.570 0.821 0.084  -0.085 -0.055 209 SER LLL HB3  
6394 N N    . PHE B 210 ? 0.572 0.523 0.744 0.080  -0.080 -0.068 210 PHE LLL N    
6395 C CA   . PHE B 210 ? 0.600 0.544 0.763 0.086  -0.080 -0.080 210 PHE LLL CA   
6396 C C    . PHE B 210 ? 0.614 0.545 0.786 0.087  -0.090 -0.084 210 PHE LLL C    
6397 O O    . PHE B 210 ? 0.587 0.514 0.770 0.082  -0.093 -0.078 210 PHE LLL O    
6398 C CB   . PHE B 210 ? 0.591 0.538 0.736 0.086  -0.074 -0.083 210 PHE LLL CB   
6399 C CG   . PHE B 210 ? 0.586 0.528 0.726 0.083  -0.078 -0.082 210 PHE LLL CG   
6400 C CD1  . PHE B 210 ? 0.615 0.547 0.751 0.088  -0.087 -0.091 210 PHE LLL CD1  
6401 C CD2  . PHE B 210 ? 0.583 0.532 0.723 0.076  -0.076 -0.073 210 PHE LLL CD2  
6402 C CE1  . PHE B 210 ? 0.613 0.543 0.747 0.086  -0.093 -0.092 210 PHE LLL CE1  
6403 C CE2  . PHE B 210 ? 0.585 0.531 0.722 0.074  -0.081 -0.073 210 PHE LLL CE2  
6404 C CZ   . PHE B 210 ? 0.596 0.534 0.732 0.079  -0.090 -0.083 210 PHE LLL CZ   
6405 H H    . PHE B 210 ? 0.579 0.525 0.754 0.077  -0.083 -0.065 210 PHE LLL H    
6406 H HA   . PHE B 210 ? 0.598 0.546 0.763 0.090  -0.078 -0.083 210 PHE LLL HA   
6407 H HB2  . PHE B 210 ? 0.602 0.544 0.739 0.091  -0.072 -0.090 210 PHE LLL HB2  
6408 H HB3  . PHE B 210 ? 0.584 0.539 0.727 0.083  -0.067 -0.080 210 PHE LLL HB3  
6409 H HD1  . PHE B 210 ? 0.620 0.547 0.755 0.093  -0.089 -0.097 210 PHE LLL HD1  
6410 H HD2  . PHE B 210 ? 0.573 0.529 0.715 0.073  -0.071 -0.068 210 PHE LLL HD2  
6411 H HE1  . PHE B 210 ? 0.622 0.547 0.755 0.090  -0.100 -0.101 210 PHE LLL HE1  
6412 H HE2  . PHE B 210 ? 0.575 0.526 0.713 0.069  -0.079 -0.068 210 PHE LLL HE2  
6413 H HZ   . PHE B 210 ? 0.598 0.535 0.733 0.078  -0.094 -0.085 210 PHE LLL HZ   
6414 N N    . ASN B 211 ? 0.635 0.559 0.802 0.095  -0.092 -0.095 211 ASN LLL N    
6415 C CA   . ASN B 211 ? 0.667 0.578 0.841 0.097  -0.102 -0.104 211 ASN LLL CA   
6416 C C    . ASN B 211 ? 0.681 0.591 0.838 0.102  -0.105 -0.114 211 ASN LLL C    
6417 O O    . ASN B 211 ? 0.677 0.587 0.814 0.108  -0.098 -0.117 211 ASN LLL O    
6418 C CB   . ASN B 211 ? 0.704 0.608 0.883 0.104  -0.104 -0.110 211 ASN LLL CB   
6419 C CG   . ASN B 211 ? 0.712 0.619 0.903 0.103  -0.102 -0.101 211 ASN LLL CG   
6420 O OD1  . ASN B 211 ? 0.750 0.663 0.940 0.109  -0.099 -0.102 211 ASN LLL OD1  
6421 N ND2  . ASN B 211 ? 0.724 0.625 0.927 0.097  -0.103 -0.091 211 ASN LLL ND2  
6422 H H    . ASN B 211 ? 0.640 0.567 0.799 0.099  -0.088 -0.099 211 ASN LLL H    
6423 H HA   . ASN B 211 ? 0.666 0.575 0.852 0.092  -0.105 -0.100 211 ASN LLL HA   
6424 H HB2  . ASN B 211 ? 0.704 0.612 0.873 0.110  -0.101 -0.115 211 ASN LLL HB2  
6425 H HB3  . ASN B 211 ? 0.710 0.606 0.896 0.106  -0.111 -0.116 211 ASN LLL HB3  
6428 N N    . ARG B 212 ? 0.700 0.606 0.862 0.100  -0.113 -0.118 212 ARG LLL N    
6429 C CA   . ARG B 212 ? 0.732 0.635 0.877 0.108  -0.119 -0.130 212 ARG LLL CA   
6430 C C    . ARG B 212 ? 0.770 0.664 0.903 0.119  -0.122 -0.142 212 ARG LLL C    
6431 O O    . ARG B 212 ? 0.792 0.680 0.942 0.120  -0.128 -0.147 212 ARG LLL O    
6432 C CB   . ARG B 212 ? 0.736 0.639 0.900 0.104  -0.130 -0.136 212 ARG LLL CB   
6433 C CG   . ARG B 212 ? 0.734 0.635 0.882 0.114  -0.140 -0.150 212 ARG LLL CG   
6434 C CD   . ARG B 212 ? 0.746 0.650 0.919 0.110  -0.152 -0.160 212 ARG LLL CD   
6435 N NE   . ARG B 212 ? 0.747 0.647 0.953 0.103  -0.156 -0.165 212 ARG LLL NE   
6436 C CZ   . ARG B 212 ? 0.777 0.669 0.987 0.111  -0.164 -0.179 212 ARG LLL CZ   
6437 N NH1  . ARG B 212 ? 0.810 0.698 0.993 0.126  -0.169 -0.190 212 ARG LLL NH1  
6438 N NH2  . ARG B 212 ? 0.782 0.668 1.024 0.104  -0.165 -0.182 212 ARG LLL NH2  
6439 H H    . ARG B 212 ? 0.696 0.602 0.874 0.094  -0.115 -0.115 212 ARG LLL H    
6440 H HA   . ARG B 212 ? 0.730 0.636 0.859 0.108  -0.113 -0.126 212 ARG LLL HA   
6441 H HB2  . ARG B 212 ? 0.719 0.627 0.891 0.096  -0.127 -0.128 212 ARG LLL HB2  
6442 H HB3  . ARG B 212 ? 0.736 0.634 0.916 0.102  -0.135 -0.141 212 ARG LLL HB3  
6443 H HG2  . ARG B 212 ? 0.755 0.649 0.891 0.123  -0.142 -0.158 212 ARG LLL HG2  
6444 H HG3  . ARG B 212 ? 0.738 0.641 0.868 0.115  -0.135 -0.145 212 ARG LLL HG3  
6445 H HD2  . ARG B 212 ? 0.756 0.659 0.919 0.119  -0.160 -0.172 212 ARG LLL HD2  
6446 H HD3  . ARG B 212 ? 0.731 0.642 0.910 0.103  -0.148 -0.153 212 ARG LLL HD3  
6447 H HE   . ARG B 212 ? 0.742 0.644 0.966 0.094  -0.152 -0.158 212 ARG LLL HE   
6448 H HH11 . ARG B 212 ? 0.805 0.694 0.966 0.131  -0.166 -0.187 212 ARG LLL HH11 
6449 H HH12 . ARG B 212 ? 0.815 0.697 1.001 0.131  -0.174 -0.199 212 ARG LLL HH12 
6450 H HH21 . ARG B 212 ? 0.773 0.660 1.031 0.094  -0.161 -0.174 212 ARG LLL HH21 
6451 H HH22 . ARG B 212 ? 0.792 0.673 1.037 0.108  -0.171 -0.192 212 ARG LLL HH22 
6452 N N    . GLY B 213 ? 0.829 0.719 0.931 0.129  -0.115 -0.144 213 GLY LLL N    
6453 C CA   . GLY B 213 ? 0.880 0.762 0.969 0.139  -0.111 -0.151 213 GLY LLL CA   
6454 C C    . GLY B 213 ? 0.893 0.780 0.971 0.137  -0.093 -0.143 213 GLY LLL C    
6455 O O    . GLY B 213 ? 0.891 0.785 0.985 0.134  -0.089 -0.141 213 GLY LLL O    
6456 H H    . GLY B 213 ? 0.825 0.716 0.913 0.129  -0.111 -0.142 213 GLY LLL H    
6457 H HA2  . GLY B 213 ? 0.892 0.768 0.963 0.148  -0.114 -0.160 213 GLY LLL HA2  
6458 H HA3  . GLY B 213 ? 0.876 0.757 0.981 0.138  -0.116 -0.155 213 GLY LLL HA3  
6459 C C1   . GOL C .   ? 0.862 0.810 0.717 0.074  -0.030 -0.010 301 GOL HHH C1   
6460 O O1   . GOL C .   ? 0.833 0.779 0.675 0.080  -0.016 -0.004 301 GOL HHH O1   
6461 C C2   . GOL C .   ? 0.784 0.733 0.645 0.068  -0.026 -0.004 301 GOL HHH C2   
6462 O O2   . GOL C .   ? 0.824 0.769 0.673 0.072  -0.011 0.006  301 GOL HHH O2   
6463 C C3   . GOL C .   ? 0.794 0.740 0.650 0.073  -0.039 -0.010 301 GOL HHH C3   
6464 O O3   . GOL C .   ? 0.702 0.646 0.558 0.070  -0.035 -0.003 301 GOL HHH O3   
6465 H H11  . GOL C .   ? 0.820 0.772 0.690 0.067  -0.032 -0.013 301 GOL HHH H11  
6466 H H12  . GOL C .   ? 0.847 0.791 0.692 0.082  -0.039 -0.017 301 GOL HHH H12  
6468 H H2   . GOL C .   ? 0.785 0.740 0.664 0.058  -0.025 -0.003 301 GOL HHH H2   
6470 H H31  . GOL C .   ? 0.759 0.709 0.631 0.068  -0.047 -0.016 301 GOL HHH H31  
6471 H H32  . GOL C .   ? 0.789 0.729 0.628 0.084  -0.043 -0.013 301 GOL HHH H32  
6472 H HO3  . GOL C .   ? 0.737 0.677 0.583 0.074  -0.026 0.003  301 GOL HHH HO3  
6473 S S    . SO4 D .   ? 0.724 0.601 0.368 0.189  -0.011 -0.008 302 SO4 HHH S    
6474 O O1   . SO4 D .   ? 1.590 1.471 1.234 0.197  -0.035 -0.027 302 SO4 HHH O1   
6475 O O2   . SO4 D .   ? 1.221 1.078 0.818 0.212  -0.003 -0.001 302 SO4 HHH O2   
6476 O O3   . SO4 D .   ? 0.635 0.517 0.293 0.179  0.008  -0.001 302 SO4 HHH O3   
6477 O O4   . SO4 D .   ? 0.947 0.833 0.621 0.171  -0.015 -0.006 302 SO4 HHH O4   
# 
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 HHH . n 
A 1 2   VAL 2   2   2   VAL VAL HHH . n 
A 1 3   GLN 3   3   3   GLN GLN HHH . n 
A 1 4   LEU 4   4   4   LEU LEU HHH . n 
A 1 5   VAL 5   5   5   VAL VAL HHH . n 
A 1 6   GLN 6   6   6   GLN GLN HHH . n 
A 1 7   SER 7   7   7   SER SER HHH . n 
A 1 8   GLY 8   8   8   GLY GLY HHH . n 
A 1 9   ALA 9   9   9   ALA ALA HHH . n 
A 1 10  GLU 10  10  10  GLU GLU HHH . n 
A 1 11  VAL 11  11  11  VAL VAL HHH . n 
A 1 12  LYS 12  12  12  LYS LYS HHH . n 
A 1 13  LYS 13  13  13  LYS LYS HHH . n 
A 1 14  PRO 14  14  14  PRO PRO HHH . n 
A 1 15  GLY 15  15  15  GLY GLY HHH . n 
A 1 16  ALA 16  16  16  ALA ALA HHH . n 
A 1 17  SER 17  17  17  SER SER HHH . n 
A 1 18  VAL 18  18  18  VAL VAL HHH . n 
A 1 19  ARG 19  19  19  ARG ARG HHH . n 
A 1 20  VAL 20  20  20  VAL VAL HHH . n 
A 1 21  SER 21  21  21  SER SER HHH . n 
A 1 22  CYS 22  22  22  CYS CYS HHH . n 
A 1 23  LYS 23  23  23  LYS LYS HHH . n 
A 1 24  ALA 24  24  24  ALA ALA HHH . n 
A 1 25  SER 25  25  25  SER SER HHH . n 
A 1 26  GLY 26  26  26  GLY GLY HHH . n 
A 1 27  PHE 27  27  27  PHE PHE HHH . n 
A 1 28  VAL 28  29  29  VAL VAL HHH . n 
A 1 29  THR 29  31  31  THR THR HHH . n 
A 1 30  ASP 30  32  32  ASP ASP HHH . n 
A 1 31  TYR 31  33  33  TYR TYR HHH . n 
A 1 32  PHE 32  34  34  PHE PHE HHH . n 
A 1 33  ILE 33  35  35  ILE ILE HHH . n 
A 1 34  GLN 34  36  36  GLN GLN HHH . n 
A 1 35  TRP 35  37  37  TRP TRP HHH . n 
A 1 36  VAL 36  38  38  VAL VAL HHH . n 
A 1 37  ARG 37  39  39  ARG ARG HHH . n 
A 1 38  GLN 38  40  40  GLN GLN HHH . n 
A 1 39  ALA 39  41  41  ALA ALA HHH . n 
A 1 40  PRO 40  42  42  PRO PRO HHH . n 
A 1 41  GLY 41  43  43  GLY GLY HHH . n 
A 1 42  GLN 42  44  44  GLN GLN HHH . n 
A 1 43  GLY 43  45  45  GLY GLY HHH . n 
A 1 44  PRO 44  46  46  PRO PRO HHH . n 
A 1 45  GLU 45  47  47  GLU GLU HHH . n 
A 1 46  TRP 46  48  48  TRP TRP HHH . n 
A 1 47  MET 47  49  49  MET MET HHH . n 
A 1 48  ALA 48  50  50  ALA ALA HHH . n 
A 1 49  TRP 49  51  51  TRP TRP HHH . n 
A 1 50  ILE 50  52  52  ILE ILE HHH . n 
A 1 51  ASN 51  53  53  ASN ASN HHH . n 
A 1 52  PRO 52  54  54  PRO PRO HHH . n 
A 1 53  HIS 53  55  55  HIS HIS HHH . n 
A 1 54  ASN 54  60  60  ASN ASN HHH . n 
A 1 55  GLY 55  61  61  GLY GLY HHH . n 
A 1 56  GLU 56  62  62  GLU GLU HHH . n 
A 1 57  THR 57  63  63  THR THR HHH . n 
A 1 58  ASP 58  64  64  ASP ASP HHH . n 
A 1 59  TYR 59  65  65  TYR TYR HHH . n 
A 1 60  ALA 60  66  66  ALA ALA HHH . n 
A 1 61  PRO 61  67  67  PRO PRO HHH . n 
A 1 62  LYS 62  68  68  LYS LYS HHH . n 
A 1 63  LEU 63  69  69  LEU LEU HHH . n 
A 1 64  GLN 64  70  70  GLN GLN HHH . n 
A 1 65  ASP 65  71  71  ASP ASP HHH . n 
A 1 66  ARG 66  72  72  ARG ARG HHH . n 
A 1 67  VAL 67  73  73  VAL VAL HHH . n 
A 1 68  THR 68  74  74  THR THR HHH . n 
A 1 69  VAL 69  75  75  VAL VAL HHH . n 
A 1 70  THR 70  76  76  THR THR HHH . n 
A 1 71  CYS 71  77  77  CYS CYS HHH . n 
A 1 72  ASP 72  78  78  ASP ASP HHH . n 
A 1 73  THR 73  79  79  THR THR HHH . n 
A 1 74  SER 74  80  80  SER SER HHH . n 
A 1 75  THR 75  81  81  THR THR HHH . n 
A 1 76  ASN 76  82  82  ASN ASN HHH . n 
A 1 77  THR 77  83  83  THR THR HHH . n 
A 1 78  ALA 78  84  84  ALA ALA HHH . n 
A 1 79  PHE 79  85  85  PHE PHE HHH . n 
A 1 80  MET 80  86  86  MET MET HHH . n 
A 1 81  GLU 81  87  87  GLU GLU HHH . n 
A 1 82  LEU 82  88  88  LEU LEU HHH . n 
A 1 83  SER 83  89  89  SER SER HHH . n 
A 1 84  ARG 84  90  90  ARG ARG HHH . n 
A 1 85  LEU 85  91  91  LEU LEU HHH . n 
A 1 86  THR 86  92  92  THR THR HHH . n 
A 1 87  SER 87  93  93  SER SER HHH . n 
A 1 88  ASP 88  94  94  ASP ASP HHH . n 
A 1 89  ASP 89  95  95  ASP ASP HHH . n 
A 1 90  THR 90  96  96  THR THR HHH . n 
A 1 91  ALA 91  97  97  ALA ALA HHH . n 
A 1 92  LEU 92  98  98  LEU LEU HHH . n 
A 1 93  TYR 93  99  99  TYR TYR HHH . n 
A 1 94  TYR 94  100 100 TYR TYR HHH . n 
A 1 95  CYS 95  101 101 CYS CYS HHH . n 
A 1 96  GLY 96  102 102 GLY GLY HHH . n 
A 1 97  ARG 97  103 103 ARG ARG HHH . n 
A 1 98  SER 98  104 104 SER SER HHH . n 
A 1 99  GLY 99  105 105 GLY GLY HHH . n 
A 1 100 ARG 100 106 106 ARG ARG HHH . n 
A 1 101 THR 101 107 107 THR THR HHH . n 
A 1 102 ASP 102 108 108 ASP ASP HHH . n 
A 1 103 ALA 103 109 109 ALA ALA HHH . n 
A 1 104 ARG 104 110 110 ARG ARG HHH . n 
A 1 105 ARG 105 111 111 ARG ARG HHH . n 
A 1 106 ALA 106 112 112 ALA ALA HHH . n 
A 1 107 PRO 107 113 113 PRO PRO HHH . n 
A 1 108 VAL 108 114 114 VAL VAL HHH . n 
A 1 109 SER 109 115 115 SER SER HHH . n 
A 1 110 TYR 110 116 116 TYR TYR HHH . n 
A 1 111 TRP 111 117 117 TRP TRP HHH . n 
A 1 112 GLY 112 118 118 GLY GLY HHH . n 
A 1 113 GLN 113 119 119 GLN GLN HHH . n 
A 1 114 GLY 114 120 120 GLY GLY HHH . n 
A 1 115 ALA 115 121 121 ALA ALA HHH . n 
A 1 116 LEU 116 122 122 LEU LEU HHH . n 
A 1 117 VAL 117 123 123 VAL VAL HHH . n 
A 1 118 THR 118 124 124 THR THR HHH . n 
A 1 119 VAL 119 125 125 VAL VAL HHH . n 
A 1 120 SER 120 126 126 SER SER HHH . n 
A 1 121 SER 121 127 127 SER SER HHH . n 
A 1 122 ALA 122 129 129 ALA ALA HHH . n 
A 1 123 SER 123 130 130 SER SER HHH . n 
A 1 124 THR 124 131 131 THR THR HHH . n 
A 1 125 LYS 125 132 132 LYS LYS HHH . n 
A 1 126 GLY 126 133 133 GLY GLY HHH . n 
A 1 127 PRO 127 134 134 PRO PRO HHH . n 
A 1 128 SER 128 135 135 SER SER HHH . n 
A 1 129 VAL 129 136 136 VAL VAL HHH . n 
A 1 130 PHE 130 137 137 PHE PHE HHH . n 
A 1 131 PRO 131 138 138 PRO PRO HHH . n 
A 1 132 LEU 132 139 139 LEU LEU HHH . n 
A 1 133 ALA 133 140 140 ALA ALA HHH . n 
A 1 134 PRO 134 141 141 PRO PRO HHH . n 
A 1 135 SER 135 143 ?   ?   ?   HHH . n 
A 1 136 SER 136 144 ?   ?   ?   HHH . n 
A 1 137 LYS 137 145 ?   ?   ?   HHH . n 
A 1 138 SER 138 146 ?   ?   ?   HHH . n 
A 1 139 THR 139 147 ?   ?   ?   HHH . n 
A 1 140 SER 140 148 ?   ?   ?   HHH . n 
A 1 141 GLY 141 149 ?   ?   ?   HHH . n 
A 1 142 GLY 142 150 150 GLY GLY HHH . n 
A 1 143 THR 143 151 151 THR THR HHH . n 
A 1 144 ALA 144 152 152 ALA ALA HHH . n 
A 1 145 ALA 145 153 153 ALA ALA HHH . n 
A 1 146 LEU 146 154 154 LEU LEU HHH . n 
A 1 147 GLY 147 155 155 GLY GLY HHH . n 
A 1 148 CYS 148 156 156 CYS CYS HHH . n 
A 1 149 LEU 149 157 157 LEU LEU HHH . n 
A 1 150 VAL 150 158 158 VAL VAL HHH . n 
A 1 151 LYS 151 159 159 LYS LYS HHH . n 
A 1 152 ASP 152 160 160 ASP ASP HHH . n 
A 1 153 TYR 153 161 161 TYR TYR HHH . n 
A 1 154 PHE 154 162 162 PHE PHE HHH . n 
A 1 155 PRO 155 163 163 PRO PRO HHH . n 
A 1 156 GLU 156 164 164 GLU GLU HHH . n 
A 1 157 PRO 157 165 165 PRO PRO HHH . n 
A 1 158 VAL 158 166 166 VAL VAL HHH . n 
A 1 159 THR 159 167 167 THR THR HHH . n 
A 1 160 VAL 160 168 168 VAL VAL HHH . n 
A 1 161 SER 161 169 169 SER SER HHH . n 
A 1 162 TRP 162 170 170 TRP TRP HHH . n 
A 1 163 ASN 163 171 171 ASN ASN HHH . n 
A 1 164 SER 164 172 172 SER SER HHH . n 
A 1 165 GLY 165 173 173 GLY GLY HHH . n 
A 1 166 ALA 166 174 174 ALA ALA HHH . n 
A 1 167 LEU 167 175 175 LEU LEU HHH . n 
A 1 168 THR 168 176 176 THR THR HHH . n 
A 1 169 SER 169 177 177 SER SER HHH . n 
A 1 170 GLY 170 178 178 GLY GLY HHH . n 
A 1 171 VAL 171 179 179 VAL VAL HHH . n 
A 1 172 HIS 172 180 180 HIS HIS HHH . n 
A 1 173 THR 173 181 181 THR THR HHH . n 
A 1 174 PHE 174 182 182 PHE PHE HHH . n 
A 1 175 PRO 175 183 183 PRO PRO HHH . n 
A 1 176 ALA 176 184 184 ALA ALA HHH . n 
A 1 177 VAL 177 185 185 VAL VAL HHH . n 
A 1 178 LEU 178 186 186 LEU LEU HHH . n 
A 1 179 GLN 179 187 187 GLN GLN HHH . n 
A 1 180 SER 180 188 188 SER SER HHH . n 
A 1 181 SER 181 189 189 SER SER HHH . n 
A 1 182 GLY 182 190 190 GLY GLY HHH . n 
A 1 183 LEU 183 191 191 LEU LEU HHH . n 
A 1 184 TYR 184 192 192 TYR TYR HHH . n 
A 1 185 SER 185 193 193 SER SER HHH . n 
A 1 186 LEU 186 194 194 LEU LEU HHH . n 
A 1 187 SER 187 195 195 SER SER HHH . n 
A 1 188 SER 188 196 196 SER SER HHH . n 
A 1 189 VAL 189 197 197 VAL VAL HHH . n 
A 1 190 VAL 190 198 198 VAL VAL HHH . n 
A 1 191 THR 191 199 199 THR THR HHH . n 
A 1 192 VAL 192 200 200 VAL VAL HHH . n 
A 1 193 PRO 193 201 201 PRO PRO HHH . n 
A 1 194 SER 194 202 202 SER SER HHH . n 
A 1 195 SER 195 203 203 SER SER HHH . n 
A 1 196 SER 196 204 204 SER SER HHH . n 
A 1 197 LEU 197 205 205 LEU LEU HHH . n 
A 1 198 GLY 198 206 206 GLY GLY HHH . n 
A 1 199 THR 199 207 207 THR THR HHH . n 
A 1 200 GLN 200 208 208 GLN GLN HHH . n 
A 1 201 THR 201 209 209 THR THR HHH . n 
A 1 202 TYR 202 210 210 TYR TYR HHH . n 
A 1 203 ILE 203 211 211 ILE ILE HHH . n 
A 1 204 CYS 204 212 212 CYS CYS HHH . n 
A 1 205 ASN 205 213 213 ASN ASN HHH . n 
A 1 206 VAL 206 214 214 VAL VAL HHH . n 
A 1 207 ASN 207 215 215 ASN ASN HHH . n 
A 1 208 HIS 208 216 216 HIS HIS HHH . n 
A 1 209 LYS 209 217 217 LYS LYS HHH . n 
A 1 210 PRO 210 218 218 PRO PRO HHH . n 
A 1 211 SER 211 219 219 SER SER HHH . n 
A 1 212 ASN 212 220 220 ASN ASN HHH . n 
A 1 213 THR 213 221 221 THR THR HHH . n 
A 1 214 LYS 214 222 222 LYS LYS HHH . n 
A 1 215 VAL 215 223 223 VAL VAL HHH . n 
A 1 216 ASP 216 224 224 ASP ASP HHH . n 
A 1 217 LYS 217 225 225 LYS LYS HHH . n 
A 1 218 ARG 218 226 226 ARG ARG HHH . n 
A 1 219 VAL 219 227 227 VAL VAL HHH . n 
A 1 220 GLU 220 228 228 GLU GLU HHH . n 
A 1 221 PRO 221 229 229 PRO PRO HHH . n 
B 2 1   GLU 1   1   1   GLU GLU LLL . n 
B 2 2   ILE 2   2   2   ILE ILE LLL . n 
B 2 3   VAL 3   3   3   VAL VAL LLL . n 
B 2 4   LEU 4   4   4   LEU LEU LLL . n 
B 2 5   THR 5   5   5   THR THR LLL . n 
B 2 6   GLN 6   6   6   GLN GLN LLL . n 
B 2 7   SER 7   7   7   SER SER LLL . n 
B 2 8   PRO 8   8   8   PRO PRO LLL . n 
B 2 9   GLY 9   9   9   GLY GLY LLL . n 
B 2 10  THR 10  10  10  THR THR LLL . n 
B 2 11  LEU 11  11  11  LEU LEU LLL . n 
B 2 12  SER 12  12  12  SER SER LLL . n 
B 2 13  LEU 13  13  13  LEU LEU LLL . n 
B 2 14  SER 14  14  14  SER SER LLL . n 
B 2 15  PRO 15  15  15  PRO PRO LLL . n 
B 2 16  GLY 16  16  16  GLY GLY LLL . n 
B 2 17  ALA 17  17  17  ALA ALA LLL . n 
B 2 18  ARG 18  18  18  ARG ARG LLL . n 
B 2 19  ALA 19  19  19  ALA ALA LLL . n 
B 2 20  THR 20  20  20  THR THR LLL . n 
B 2 21  LEU 21  21  21  LEU LEU LLL . n 
B 2 22  SER 22  22  22  SER SER LLL . n 
B 2 23  CYS 23  23  23  CYS CYS LLL . n 
B 2 24  ARG 24  24  24  ARG ARG LLL . n 
B 2 25  ALA 25  25  25  ALA ALA LLL . n 
B 2 26  SER 26  26  26  SER SER LLL . n 
B 2 27  GLN 27  27  27  GLN GLN LLL . n 
B 2 28  THR 28  28  28  THR THR LLL . n 
B 2 29  VAL 29  29  29  VAL VAL LLL . n 
B 2 30  ARG 30  30  30  ARG ARG LLL . n 
B 2 31  GLY 31  31  31  GLY GLY LLL . n 
B 2 32  ASN 32  32  32  ASN ASN LLL . n 
B 2 33  TYR 33  33  33  TYR TYR LLL . n 
B 2 34  LEU 34  34  34  LEU LEU LLL . n 
B 2 35  ALA 35  35  35  ALA ALA LLL . n 
B 2 36  TRP 36  36  36  TRP TRP LLL . n 
B 2 37  PHE 37  37  37  PHE PHE LLL . n 
B 2 38  GLN 38  38  38  GLN GLN LLL . n 
B 2 39  GLN 39  39  39  GLN GLN LLL . n 
B 2 40  LYS 40  40  40  LYS LYS LLL . n 
B 2 41  ARG 41  41  41  ARG ARG LLL . n 
B 2 42  GLY 42  42  42  GLY GLY LLL . n 
B 2 43  GLN 43  43  43  GLN GLN LLL . n 
B 2 44  PRO 44  44  44  PRO PRO LLL . n 
B 2 45  PRO 45  45  45  PRO PRO LLL . n 
B 2 46  ARG 46  46  46  ARG ARG LLL . n 
B 2 47  LEU 47  47  47  LEU LEU LLL . n 
B 2 48  LEU 48  48  48  LEU LEU LLL . n 
B 2 49  ILE 49  49  49  ILE ILE LLL . n 
B 2 50  TYR 50  50  50  TYR TYR LLL . n 
B 2 51  LEU 51  51  51  LEU LEU LLL . n 
B 2 52  ALA 52  52  52  ALA ALA LLL . n 
B 2 53  SER 53  53  53  SER SER LLL . n 
B 2 54  ASN 54  54  54  ASN ASN LLL . n 
B 2 55  ARG 55  55  55  ARG ARG LLL . n 
B 2 56  ALA 56  56  56  ALA ALA LLL . n 
B 2 57  THR 57  57  57  THR THR LLL . n 
B 2 58  GLY 58  58  58  GLY GLY LLL . n 
B 2 59  ILE 59  59  59  ILE ILE LLL . n 
B 2 60  PRO 60  60  60  PRO PRO LLL . n 
B 2 61  ASP 61  61  61  ASP ASP LLL . n 
B 2 62  ARG 62  62  62  ARG ARG LLL . n 
B 2 63  PHE 63  63  63  PHE PHE LLL . n 
B 2 64  SER 64  64  64  SER SER LLL . n 
B 2 65  GLY 65  65  65  GLY GLY LLL . n 
B 2 66  SER 66  66  66  SER SER LLL . n 
B 2 67  GLY 67  67  67  GLY GLY LLL . n 
B 2 68  SER 68  68  68  SER SER LLL . n 
B 2 69  GLY 69  69  69  GLY GLY LLL . n 
B 2 70  THR 70  70  70  THR THR LLL . n 
B 2 71  ASP 71  71  71  ASP ASP LLL . n 
B 2 72  PHE 72  72  72  PHE PHE LLL . n 
B 2 73  THR 73  73  73  THR THR LLL . n 
B 2 74  LEU 74  74  74  LEU LEU LLL . n 
B 2 75  THR 75  75  75  THR THR LLL . n 
B 2 76  ILE 76  76  76  ILE ILE LLL . n 
B 2 77  SER 77  77  77  SER SER LLL . n 
B 2 78  ARG 78  78  78  ARG ARG LLL . n 
B 2 79  LEU 79  79  79  LEU LEU LLL . n 
B 2 80  GLU 80  80  80  GLU GLU LLL . n 
B 2 81  PRO 81  81  81  PRO PRO LLL . n 
B 2 82  GLU 82  82  82  GLU GLU LLL . n 
B 2 83  ASP 83  83  83  ASP ASP LLL . n 
B 2 84  PHE 84  84  84  PHE PHE LLL . n 
B 2 85  ALA 85  85  85  ALA ALA LLL . n 
B 2 86  VAL 86  86  86  VAL VAL LLL . n 
B 2 87  TYR 87  87  87  TYR TYR LLL . n 
B 2 88  TYR 88  88  88  TYR TYR LLL . n 
B 2 89  CYS 89  89  89  CYS CYS LLL . n 
B 2 90  GLN 90  90  90  GLN GLN LLL . n 
B 2 91  GLN 91  91  91  GLN GLN LLL . n 
B 2 92  TYR 92  92  92  TYR TYR LLL . n 
B 2 93  VAL 93  93  93  VAL VAL LLL . n 
B 2 94  ASN 94  94  94  ASN ASN LLL . n 
B 2 95  THR 95  95  95  THR THR LLL . n 
B 2 96  PRO 96  96  96  PRO PRO LLL . n 
B 2 97  GLU 97  97  97  GLU GLU LLL . n 
B 2 98  THR 98  98  98  THR THR LLL . n 
B 2 99  PHE 99  99  99  PHE PHE LLL . n 
B 2 100 GLY 100 100 100 GLY GLY LLL . n 
B 2 101 GLN 101 101 101 GLN GLN LLL . n 
B 2 102 GLY 102 102 102 GLY GLY LLL . n 
B 2 103 THR 103 103 103 THR THR LLL . n 
B 2 104 ARG 104 104 104 ARG ARG LLL . n 
B 2 105 VAL 105 105 105 VAL VAL LLL . n 
B 2 106 GLU 106 106 106 GLU GLU LLL . n 
B 2 107 ILE 107 107 107 ILE ILE LLL . n 
B 2 108 LYS 108 108 108 LYS LYS LLL . n 
B 2 109 ARG 109 109 109 ARG ARG LLL . n 
B 2 110 THR 110 110 110 THR THR LLL . n 
B 2 111 VAL 111 111 111 VAL VAL LLL . n 
B 2 112 ALA 112 112 112 ALA ALA LLL . n 
B 2 113 ALA 113 113 113 ALA ALA LLL . n 
B 2 114 PRO 114 114 114 PRO PRO LLL . n 
B 2 115 SER 115 115 115 SER SER LLL . n 
B 2 116 VAL 116 116 116 VAL VAL LLL . n 
B 2 117 PHE 117 117 117 PHE PHE LLL . n 
B 2 118 ILE 118 118 118 ILE ILE LLL . n 
B 2 119 PHE 119 119 119 PHE PHE LLL . n 
B 2 120 PRO 120 120 120 PRO PRO LLL . n 
B 2 121 PRO 121 121 121 PRO PRO LLL . n 
B 2 122 SER 122 122 122 SER SER LLL . n 
B 2 123 ASP 123 123 123 ASP ASP LLL . n 
B 2 124 GLU 124 124 124 GLU GLU LLL . n 
B 2 125 GLN 125 125 125 GLN GLN LLL . n 
B 2 126 LEU 126 126 126 LEU LEU LLL . n 
B 2 127 LYS 127 127 127 LYS LYS LLL . n 
B 2 128 SER 128 128 128 SER SER LLL . n 
B 2 129 GLY 129 129 129 GLY GLY LLL . n 
B 2 130 THR 130 130 130 THR THR LLL . n 
B 2 131 ALA 131 131 131 ALA ALA LLL . n 
B 2 132 SER 132 132 132 SER SER LLL . n 
B 2 133 VAL 133 133 133 VAL VAL LLL . n 
B 2 134 VAL 134 134 134 VAL VAL LLL . n 
B 2 135 CYS 135 135 135 CYS CYS LLL . n 
B 2 136 LEU 136 136 136 LEU LEU LLL . n 
B 2 137 LEU 137 137 137 LEU LEU LLL . n 
B 2 138 ASN 138 138 138 ASN ASN LLL . n 
B 2 139 ASN 139 139 139 ASN ASN LLL . n 
B 2 140 PHE 140 140 140 PHE PHE LLL . n 
B 2 141 TYR 141 141 141 TYR TYR LLL . n 
B 2 142 PRO 142 142 142 PRO PRO LLL . n 
B 2 143 ARG 143 143 143 ARG ARG LLL . n 
B 2 144 GLU 144 144 144 GLU GLU LLL . n 
B 2 145 ALA 145 145 145 ALA ALA LLL . n 
B 2 146 LYS 146 146 146 LYS LYS LLL . n 
B 2 147 VAL 147 147 147 VAL VAL LLL . n 
B 2 148 GLN 148 148 148 GLN GLN LLL . n 
B 2 149 TRP 149 149 149 TRP TRP LLL . n 
B 2 150 LYS 150 150 150 LYS LYS LLL . n 
B 2 151 VAL 151 151 151 VAL VAL LLL . n 
B 2 152 ASP 152 152 152 ASP ASP LLL . n 
B 2 153 ASN 153 153 153 ASN ASN LLL . n 
B 2 154 ALA 154 154 154 ALA ALA LLL . n 
B 2 155 LEU 155 155 155 LEU LEU LLL . n 
B 2 156 GLN 156 156 156 GLN GLN LLL . n 
B 2 157 SER 157 157 157 SER SER LLL . n 
B 2 158 GLY 158 158 158 GLY GLY LLL . n 
B 2 159 ASN 159 159 159 ASN ASN LLL . n 
B 2 160 SER 160 160 160 SER SER LLL . n 
B 2 161 GLN 161 161 161 GLN GLN LLL . n 
B 2 162 GLU 162 162 162 GLU GLU LLL . n 
B 2 163 SER 163 163 163 SER SER LLL . n 
B 2 164 VAL 164 164 164 VAL VAL LLL . n 
B 2 165 THR 165 165 165 THR THR LLL . n 
B 2 166 GLU 166 166 166 GLU GLU LLL . n 
B 2 167 GLN 167 167 167 GLN GLN LLL . n 
B 2 168 ASP 168 168 168 ASP ASP LLL . n 
B 2 169 SER 169 169 169 SER SER LLL . n 
B 2 170 LYS 170 170 170 LYS LYS LLL . n 
B 2 171 ASP 171 171 171 ASP ASP LLL . n 
B 2 172 SER 172 172 172 SER SER LLL . n 
B 2 173 THR 173 173 173 THR THR LLL . n 
B 2 174 TYR 174 174 174 TYR TYR LLL . n 
B 2 175 SER 175 175 175 SER SER LLL . n 
B 2 176 LEU 176 176 176 LEU LEU LLL . n 
B 2 177 SER 177 177 177 SER SER LLL . n 
B 2 178 SER 178 178 178 SER SER LLL . n 
B 2 179 THR 179 179 179 THR THR LLL . n 
B 2 180 LEU 180 180 180 LEU LEU LLL . n 
B 2 181 THR 181 181 181 THR THR LLL . n 
B 2 182 LEU 182 182 182 LEU LEU LLL . n 
B 2 183 SER 183 183 183 SER SER LLL . n 
B 2 184 LYS 184 184 184 LYS LYS LLL . n 
B 2 185 ALA 185 185 185 ALA ALA LLL . n 
B 2 186 ASP 186 186 186 ASP ASP LLL . n 
B 2 187 TYR 187 187 187 TYR TYR LLL . n 
B 2 188 GLU 188 188 188 GLU GLU LLL . n 
B 2 189 LYS 189 189 189 LYS LYS LLL . n 
B 2 190 HIS 190 190 190 HIS HIS LLL . n 
B 2 191 LYS 191 191 191 LYS LYS LLL . n 
B 2 192 VAL 192 192 192 VAL VAL LLL . n 
B 2 193 TYR 193 193 193 TYR TYR LLL . n 
B 2 194 ALA 194 194 194 ALA ALA LLL . n 
B 2 195 CYS 195 195 195 CYS CYS LLL . n 
B 2 196 GLU 196 196 196 GLU GLU LLL . n 
B 2 197 VAL 197 197 197 VAL VAL LLL . n 
B 2 198 THR 198 198 198 THR THR LLL . n 
B 2 199 HIS 199 199 199 HIS HIS LLL . n 
B 2 200 GLN 200 200 200 GLN GLN LLL . n 
B 2 201 GLY 201 201 201 GLY GLY LLL . n 
B 2 202 LEU 202 202 202 LEU LEU LLL . n 
B 2 203 SER 203 203 203 SER SER LLL . n 
B 2 204 SER 204 204 204 SER SER LLL . n 
B 2 205 PRO 205 205 205 PRO PRO LLL . n 
B 2 206 VAL 206 206 206 VAL VAL LLL . n 
B 2 207 THR 207 207 207 THR THR LLL . n 
B 2 208 LYS 208 208 208 LYS LYS LLL . n 
B 2 209 SER 209 209 209 SER SER LLL . n 
B 2 210 PHE 210 210 210 PHE PHE LLL . n 
B 2 211 ASN 211 211 211 ASN ASN LLL . n 
B 2 212 ARG 212 212 212 ARG ARG LLL . n 
B 2 213 GLY 213 213 213 GLY GLY LLL . 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 GOL 1   301 230 GOL GOL HHH . 
D 4 SO4 1   302 231 SO4 SO4 HHH . 
E 5 HOH 1   401 90  HOH HOH HHH . 
E 5 HOH 2   402 136 HOH HOH HHH . 
E 5 HOH 3   403 96  HOH HOH HHH . 
E 5 HOH 4   404 110 HOH HOH HHH . 
E 5 HOH 5   405 37  HOH HOH HHH . 
E 5 HOH 6   406 112 HOH HOH HHH . 
E 5 HOH 7   407 26  HOH HOH HHH . 
E 5 HOH 8   408 81  HOH HOH HHH . 
E 5 HOH 9   409 14  HOH HOH HHH . 
E 5 HOH 10  410 40  HOH HOH HHH . 
E 5 HOH 11  411 65  HOH HOH HHH . 
E 5 HOH 12  412 21  HOH HOH HHH . 
E 5 HOH 13  413 93  HOH HOH HHH . 
E 5 HOH 14  414 23  HOH HOH HHH . 
E 5 HOH 15  415 163 HOH HOH HHH . 
E 5 HOH 16  416 4   HOH HOH HHH . 
E 5 HOH 17  417 38  HOH HOH HHH . 
E 5 HOH 18  418 89  HOH HOH HHH . 
E 5 HOH 19  419 58  HOH HOH HHH . 
E 5 HOH 20  420 54  HOH HOH HHH . 
E 5 HOH 21  421 56  HOH HOH HHH . 
E 5 HOH 22  422 146 HOH HOH HHH . 
E 5 HOH 23  423 79  HOH HOH HHH . 
E 5 HOH 24  424 32  HOH HOH HHH . 
E 5 HOH 25  425 42  HOH HOH HHH . 
E 5 HOH 26  426 77  HOH HOH HHH . 
E 5 HOH 27  427 51  HOH HOH HHH . 
E 5 HOH 28  428 82  HOH HOH HHH . 
E 5 HOH 29  429 34  HOH HOH HHH . 
E 5 HOH 30  430 87  HOH HOH HHH . 
E 5 HOH 31  431 95  HOH HOH HHH . 
E 5 HOH 32  432 221 HOH HOH HHH . 
E 5 HOH 33  433 182 HOH HOH HHH . 
E 5 HOH 34  434 219 HOH HOH HHH . 
E 5 HOH 35  435 111 HOH HOH HHH . 
E 5 HOH 36  436 70  HOH HOH HHH . 
E 5 HOH 37  437 49  HOH HOH HHH . 
E 5 HOH 38  438 224 HOH HOH HHH . 
E 5 HOH 39  439 10  HOH HOH HHH . 
E 5 HOH 40  440 8   HOH HOH HHH . 
E 5 HOH 41  441 67  HOH HOH HHH . 
E 5 HOH 42  442 3   HOH HOH HHH . 
E 5 HOH 43  443 2   HOH HOH HHH . 
E 5 HOH 44  444 60  HOH HOH HHH . 
E 5 HOH 45  445 57  HOH HOH HHH . 
E 5 HOH 46  446 45  HOH HOH HHH . 
E 5 HOH 47  447 69  HOH HOH HHH . 
E 5 HOH 48  448 114 HOH HOH HHH . 
E 5 HOH 49  449 71  HOH HOH HHH . 
E 5 HOH 50  450 213 HOH HOH HHH . 
E 5 HOH 51  451 94  HOH HOH HHH . 
E 5 HOH 52  452 173 HOH HOH HHH . 
E 5 HOH 53  453 78  HOH HOH HHH . 
E 5 HOH 54  454 234 HOH HOH HHH . 
E 5 HOH 55  455 161 HOH HOH HHH . 
E 5 HOH 56  456 150 HOH HOH HHH . 
E 5 HOH 57  457 128 HOH HOH HHH . 
E 5 HOH 58  458 119 HOH HOH HHH . 
E 5 HOH 59  459 232 HOH HOH HHH . 
E 5 HOH 60  460 225 HOH HOH HHH . 
E 5 HOH 61  461 98  HOH HOH HHH . 
E 5 HOH 62  462 208 HOH HOH HHH . 
E 5 HOH 63  463 74  HOH HOH HHH . 
E 5 HOH 64  464 47  HOH HOH HHH . 
E 5 HOH 65  465 210 HOH HOH HHH . 
E 5 HOH 66  466 236 HOH HOH HHH . 
E 5 HOH 67  467 12  HOH HOH HHH . 
E 5 HOH 68  468 53  HOH HOH HHH . 
E 5 HOH 69  469 212 HOH HOH HHH . 
E 5 HOH 70  470 223 HOH HOH HHH . 
E 5 HOH 71  471 52  HOH HOH HHH . 
E 5 HOH 72  472 91  HOH HOH HHH . 
E 5 HOH 73  473 48  HOH HOH HHH . 
E 5 HOH 74  474 139 HOH HOH HHH . 
E 5 HOH 75  475 147 HOH HOH HHH . 
E 5 HOH 76  476 231 HOH HOH HHH . 
E 5 HOH 77  477 153 HOH HOH HHH . 
E 5 HOH 78  478 17  HOH HOH HHH . 
E 5 HOH 79  479 220 HOH HOH HHH . 
E 5 HOH 80  480 123 HOH HOH HHH . 
E 5 HOH 81  481 43  HOH HOH HHH . 
E 5 HOH 82  482 66  HOH HOH HHH . 
E 5 HOH 83  483 62  HOH HOH HHH . 
E 5 HOH 84  484 175 HOH HOH HHH . 
E 5 HOH 85  485 44  HOH HOH HHH . 
E 5 HOH 86  486 162 HOH HOH HHH . 
E 5 HOH 87  487 155 HOH HOH HHH . 
E 5 HOH 88  488 209 HOH HOH HHH . 
E 5 HOH 89  489 206 HOH HOH HHH . 
E 5 HOH 90  490 228 HOH HOH HHH . 
E 5 HOH 91  491 24  HOH HOH HHH . 
E 5 HOH 92  492 85  HOH HOH HHH . 
E 5 HOH 93  493 83  HOH HOH HHH . 
E 5 HOH 94  494 151 HOH HOH HHH . 
E 5 HOH 95  495 235 HOH HOH HHH . 
E 5 HOH 96  496 207 HOH HOH HHH . 
E 5 HOH 97  497 191 HOH HOH HHH . 
E 5 HOH 98  498 116 HOH HOH HHH . 
E 5 HOH 99  499 84  HOH HOH HHH . 
E 5 HOH 100 500 233 HOH HOH HHH . 
E 5 HOH 101 501 157 HOH HOH HHH . 
E 5 HOH 102 502 130 HOH HOH HHH . 
E 5 HOH 103 503 29  HOH HOH HHH . 
E 5 HOH 104 504 117 HOH HOH HHH . 
E 5 HOH 105 505 171 HOH HOH HHH . 
E 5 HOH 106 506 195 HOH HOH HHH . 
E 5 HOH 107 507 148 HOH HOH HHH . 
E 5 HOH 108 508 125 HOH HOH HHH . 
E 5 HOH 109 509 36  HOH HOH HHH . 
E 5 HOH 110 510 106 HOH HOH HHH . 
F 5 HOH 1   301 127 HOH HOH LLL . 
F 5 HOH 2   302 216 HOH HOH LLL . 
F 5 HOH 3   303 7   HOH HOH LLL . 
F 5 HOH 4   304 133 HOH HOH LLL . 
F 5 HOH 5   305 76  HOH HOH LLL . 
F 5 HOH 6   306 141 HOH HOH LLL . 
F 5 HOH 7   307 20  HOH HOH LLL . 
F 5 HOH 8   308 72  HOH HOH LLL . 
F 5 HOH 9   309 135 HOH HOH LLL . 
F 5 HOH 10  310 99  HOH HOH LLL . 
F 5 HOH 11  311 25  HOH HOH LLL . 
F 5 HOH 12  312 218 HOH HOH LLL . 
F 5 HOH 13  313 31  HOH HOH LLL . 
F 5 HOH 14  314 27  HOH HOH LLL . 
F 5 HOH 15  315 159 HOH HOH LLL . 
F 5 HOH 16  316 176 HOH HOH LLL . 
F 5 HOH 17  317 6   HOH HOH LLL . 
F 5 HOH 18  318 88  HOH HOH LLL . 
F 5 HOH 19  319 149 HOH HOH LLL . 
F 5 HOH 20  320 230 HOH HOH LLL . 
F 5 HOH 21  321 15  HOH HOH LLL . 
F 5 HOH 22  322 16  HOH HOH LLL . 
F 5 HOH 23  323 197 HOH HOH LLL . 
F 5 HOH 24  324 59  HOH HOH LLL . 
F 5 HOH 25  325 104 HOH HOH LLL . 
F 5 HOH 26  326 39  HOH HOH LLL . 
F 5 HOH 27  327 35  HOH HOH LLL . 
F 5 HOH 28  328 217 HOH HOH LLL . 
F 5 HOH 29  329 30  HOH HOH LLL . 
F 5 HOH 30  330 22  HOH HOH LLL . 
F 5 HOH 31  331 227 HOH HOH LLL . 
F 5 HOH 32  332 193 HOH HOH LLL . 
F 5 HOH 33  333 115 HOH HOH LLL . 
F 5 HOH 34  334 64  HOH HOH LLL . 
F 5 HOH 35  335 226 HOH HOH LLL . 
F 5 HOH 36  336 122 HOH HOH LLL . 
F 5 HOH 37  337 50  HOH HOH LLL . 
F 5 HOH 38  338 41  HOH HOH LLL . 
F 5 HOH 39  339 201 HOH HOH LLL . 
F 5 HOH 40  340 13  HOH HOH LLL . 
F 5 HOH 41  341 97  HOH HOH LLL . 
F 5 HOH 42  342 179 HOH HOH LLL . 
F 5 HOH 43  343 214 HOH HOH LLL . 
F 5 HOH 44  344 109 HOH HOH LLL . 
F 5 HOH 45  345 80  HOH HOH LLL . 
F 5 HOH 46  346 19  HOH HOH LLL . 
F 5 HOH 47  347 145 HOH HOH LLL . 
F 5 HOH 48  348 103 HOH HOH LLL . 
F 5 HOH 49  349 68  HOH HOH LLL . 
F 5 HOH 50  350 132 HOH HOH LLL . 
F 5 HOH 51  351 102 HOH HOH LLL . 
F 5 HOH 52  352 61  HOH HOH LLL . 
F 5 HOH 53  353 164 HOH HOH LLL . 
F 5 HOH 54  354 229 HOH HOH LLL . 
F 5 HOH 55  355 237 HOH HOH LLL . 
F 5 HOH 56  356 33  HOH HOH LLL . 
F 5 HOH 57  357 137 HOH HOH LLL . 
F 5 HOH 58  358 143 HOH HOH LLL . 
F 5 HOH 59  359 5   HOH HOH LLL . 
F 5 HOH 60  360 105 HOH HOH LLL . 
F 5 HOH 61  361 75  HOH HOH LLL . 
F 5 HOH 62  362 101 HOH HOH LLL . 
F 5 HOH 63  363 18  HOH HOH LLL . 
F 5 HOH 64  364 142 HOH HOH LLL . 
F 5 HOH 65  365 215 HOH HOH LLL . 
F 5 HOH 66  366 222 HOH HOH LLL . 
F 5 HOH 67  367 113 HOH HOH LLL . 
F 5 HOH 68  368 198 HOH HOH LLL . 
F 5 HOH 69  369 178 HOH HOH LLL . 
F 5 HOH 70  370 73  HOH HOH LLL . 
F 5 HOH 71  371 199 HOH HOH LLL . 
F 5 HOH 72  372 188 HOH HOH LLL . 
F 5 HOH 73  373 211 HOH HOH LLL . 
F 5 HOH 74  374 158 HOH HOH LLL . 
F 5 HOH 75  375 121 HOH HOH LLL . 
F 5 HOH 76  376 170 HOH HOH LLL . 
F 5 HOH 77  377 205 HOH HOH LLL . 
F 5 HOH 78  378 100 HOH HOH LLL . 
F 5 HOH 79  379 129 HOH HOH LLL . 
# 
_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,E,F 
# 
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)' 3860  ? 
1 MORE         -31   ? 
1 'SSA (A^2)'  19460 ? 
# 
_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 HHH HOH 461 ? E HOH . 
2 1 HHH HOH 489 ? E HOH . 
3 1 HHH HOH 498 ? E 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       2021-05-12 
# 
_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 -0.7520  25.3698 27.5061 0.0229 ? -0.0047 ? -0.0115 ? 0.0337 ? -0.0028 ? 0.0449 ? 1.7360 ? -1.5820 
? -0.4377 ? 2.7410 ? 1.0409 ? 1.1043 ? -0.1218 ? -0.1640 ? 0.0823 ? 0.1598  ? 0.0852  ? 0.1116 ? 0.0609  ? 0.0017  ? 0.0366 ? 
2 'X-RAY DIFFRACTION' ? refined -11.0687 35.7976 16.1860 0.0347 ? 0.0232  ? -0.0264 ? 0.1281 ? 0.0286  ? 0.1131 ? 1.2275 ? -1.2672 
? -0.6083 ? 2.2959 ? 1.2680 ? 1.4346 ? 0.0329  ? 0.2271  ? 0.1580 ? -0.0739 ? -0.2052 ? 0.1129 ? -0.0741 ? -0.1323 ? 0.1722 ? 
# 
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.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.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 ? ? HHH 1 ? ? HHH 231 ALL ? 
2 'X-RAY DIFFRACTION' 2 ? ? LLL 1 ? ? LLL 213 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  ? ? ? 5.8.0258 1 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0258 2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? 0.7.4    3 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .        4 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .        5 
# 
_pdbx_entry_details.entry_id                 6YXL 
_pdbx_entry_details.has_ligand_of_interest   N 
_pdbx_entry_details.compound_details         ? 
_pdbx_entry_details.source_details           ? 
_pdbx_entry_details.nonpolymer_details       ? 
_pdbx_entry_details.sequence_details         ? 
# 
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 C  HHH HIS 55  ? ? H  HHH ASN 60  ? ? 1.26 
2 1 HE HHH ARG 110 ? ? HH LLL TYR 33  ? ? 1.29 
3 1 O1 HHH SO4 302 ? ? O  HHH HOH 401 ? ? 2.12 
4 1 C  HHH PRO 229 ? ? O  HHH HOH 406 ? ? 2.19 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 HB3  LLL GLU 82  ? ? 1_555 HB3  LLL GLU 82  ? ? 8_555 1.23 
2 1 HH11 HHH ARG 19  ? ? 1_555 HH11 HHH ARG 19  ? ? 7_556 1.29 
3 1 O3   HHH SO4 302 ? ? 1_555 O4   HHH SO4 302 ? ? 7_555 1.36 
4 1 OH   HHH TYR 116 ? ? 1_555 OH   HHH TYR 116 ? ? 8_555 1.62 
5 1 O1   HHH SO4 302 ? ? 1_555 O1   HHH SO4 302 ? ? 7_555 2.08 
# 
loop_
_pdbx_validate_rmsd_bond.id 
_pdbx_validate_rmsd_bond.PDB_model_num 
_pdbx_validate_rmsd_bond.auth_atom_id_1 
_pdbx_validate_rmsd_bond.auth_asym_id_1 
_pdbx_validate_rmsd_bond.auth_comp_id_1 
_pdbx_validate_rmsd_bond.auth_seq_id_1 
_pdbx_validate_rmsd_bond.PDB_ins_code_1 
_pdbx_validate_rmsd_bond.label_alt_id_1 
_pdbx_validate_rmsd_bond.auth_atom_id_2 
_pdbx_validate_rmsd_bond.auth_asym_id_2 
_pdbx_validate_rmsd_bond.auth_comp_id_2 
_pdbx_validate_rmsd_bond.auth_seq_id_2 
_pdbx_validate_rmsd_bond.PDB_ins_code_2 
_pdbx_validate_rmsd_bond.label_alt_id_2 
_pdbx_validate_rmsd_bond.bond_value 
_pdbx_validate_rmsd_bond.bond_target_value 
_pdbx_validate_rmsd_bond.bond_deviation 
_pdbx_validate_rmsd_bond.bond_standard_deviation 
_pdbx_validate_rmsd_bond.linker_flag 
1 1 C HHH VAL 29  ? ? N HHH THR 31  ? ? 1.607 1.336 0.271 0.023 Y 
2 1 C HHH HIS 55  ? ? N HHH ASN 60  ? ? 1.628 1.336 0.292 0.023 Y 
3 1 C HHH SER 127 ? ? N HHH ALA 129 ? ? 1.527 1.336 0.191 0.023 Y 
# 
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 CA HHH PHE 27 ? ? C HHH PHE 27 ? ? O HHH PHE 27 ? ? 107.09 120.10 -13.01 2.10 N 
2 1 O  HHH VAL 29 ? ? C HHH VAL 29 ? ? N HHH THR 31 ? ? 108.92 122.70 -13.78 1.60 Y 
# 
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 ASP HHH 71  ? ? 97.85   -46.25  
2 1 SER HHH 104 ? ? -105.82 -145.03 
3 1 ASN HHH 220 ? ? 38.20   55.42   
4 1 ARG LLL 41  ? ? 60.86   -127.82 
5 1 ALA LLL 52  ? ? 73.84   -37.36  
6 1 ASN LLL 139 ? ? 68.12   61.31   
7 1 SER LLL 157 ? ? -175.23 118.48  
# 
_pdbx_validate_peptide_omega.id               1 
_pdbx_validate_peptide_omega.PDB_model_num    1 
_pdbx_validate_peptide_omega.auth_comp_id_1   LEU 
_pdbx_validate_peptide_omega.auth_asym_id_1   HHH 
_pdbx_validate_peptide_omega.auth_seq_id_1    69 
_pdbx_validate_peptide_omega.PDB_ins_code_1   ? 
_pdbx_validate_peptide_omega.label_alt_id_1   ? 
_pdbx_validate_peptide_omega.auth_comp_id_2   GLN 
_pdbx_validate_peptide_omega.auth_asym_id_2   HHH 
_pdbx_validate_peptide_omega.auth_seq_id_2    70 
_pdbx_validate_peptide_omega.PDB_ins_code_2   ? 
_pdbx_validate_peptide_omega.label_alt_id_2   ? 
_pdbx_validate_peptide_omega.omega            -147.70 
# 
loop_
_pdbx_validate_main_chain_plane.id 
_pdbx_validate_main_chain_plane.PDB_model_num 
_pdbx_validate_main_chain_plane.auth_comp_id 
_pdbx_validate_main_chain_plane.auth_asym_id 
_pdbx_validate_main_chain_plane.auth_seq_id 
_pdbx_validate_main_chain_plane.PDB_ins_code 
_pdbx_validate_main_chain_plane.label_alt_id 
_pdbx_validate_main_chain_plane.improper_torsion_angle 
1 1 VAL HHH 29  ? ? -20.44 
2 1 HIS HHH 55  ? ? -15.95 
3 1 SER HHH 127 ? ? -13.00 
# 
loop_
_pdbx_validate_polymer_linkage.id 
_pdbx_validate_polymer_linkage.PDB_model_num 
_pdbx_validate_polymer_linkage.auth_atom_id_1 
_pdbx_validate_polymer_linkage.auth_asym_id_1 
_pdbx_validate_polymer_linkage.auth_comp_id_1 
_pdbx_validate_polymer_linkage.auth_seq_id_1 
_pdbx_validate_polymer_linkage.PDB_ins_code_1 
_pdbx_validate_polymer_linkage.label_alt_id_1 
_pdbx_validate_polymer_linkage.auth_atom_id_2 
_pdbx_validate_polymer_linkage.auth_asym_id_2 
_pdbx_validate_polymer_linkage.auth_comp_id_2 
_pdbx_validate_polymer_linkage.auth_seq_id_2 
_pdbx_validate_polymer_linkage.PDB_ins_code_2 
_pdbx_validate_polymer_linkage.label_alt_id_2 
_pdbx_validate_polymer_linkage.dist 
1 1 C HHH PHE 27 ? ? N HHH VAL 29 ? ? 3.79 
2 1 C HHH VAL 29 ? ? N HHH THR 31 ? ? 1.61 
3 1 C HHH HIS 55 ? ? N HHH ASN 60 ? ? 1.63 
4 1 C HHH LYS 68 ? ? N HHH LEU 69 ? ? 3.74 
# 
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 HHH SER 143 ? A SER 135 
2 1 Y 1 HHH SER 144 ? A SER 136 
3 1 Y 1 HHH LYS 145 ? A LYS 137 
4 1 Y 1 HHH SER 146 ? A SER 138 
5 1 Y 1 HHH THR 147 ? A THR 139 
6 1 Y 1 HHH SER 148 ? A SER 140 
7 1 Y 1 HHH GLY 149 ? A GLY 141 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Swedish Research Council'             Sweden ? 1 
'Knut and Alice Wallenberg Foundation' Sweden ? 2 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 GLYCEROL      GOL 
4 'SULFATE ION' SO4 
5 water         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                ? 
# 
