data_7NKT
# 
_entry.id   7NKT 
# 
_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 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   7NKT         ? ? 
WWPDB D_1292114165 ? ? 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          7B27 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        7NKT 
_pdbx_database_status.recvd_initial_deposition_date   2021-02-18 
_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 
'Ostertag, E.' 1 0000-0002-4883-1933 
'Zocher, G.'   2 0000-0001-8711-2088 
'Stehle, T.'   3 0000-0002-4571-8548 
# 
_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                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Embo Rep.' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1469-3178 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            22 
_citation.language                  ? 
_citation.page_first                e52325 
_citation.page_last                 e52325 
_citation.title                     'NeutrobodyPlex-monitoring SARS-CoV-2 neutralizing immune responses using nanobodies.' 
_citation.year                      2021 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.15252/embr.202052325 
_citation.pdbx_database_id_PubMed   33904225 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Wagner, T.R.'           1  0000-0002-1050-5948 
primary 'Ostertag, E.'           2  ?                   
primary 'Kaiser, P.D.'           3  ?                   
primary 'Gramlich, M.'           4  ?                   
primary 'Ruetalo, N.'            5  ?                   
primary 'Junker, D.'             6  ?                   
primary 'Haering, J.'            7  ?                   
primary 'Traenkle, B.'           8  ?                   
primary 'Becker, M.'             9  ?                   
primary 'Dulovic, A.'            10 ?                   
primary 'Schweizer, H.'          11 0000-0001-9407-944X 
primary 'Nueske, S.'             12 ?                   
primary 'Scholz, A.'             13 ?                   
primary 'Zeck, A.'               14 ?                   
primary 'Schenke-Layland, K.'    15 ?                   
primary 'Nelde, A.'              16 ?                   
primary 'Strengert, M.'          17 ?                   
primary 'Walz, J.S.'             18 ?                   
primary 'Zocher, G.'             19 ?                   
primary 'Stehle, T.'             20 ?                   
primary 'Schindler, M.'          21 ?                   
primary 'Schneiderhan-Marra, N.' 22 ?                   
primary 'Rothbauer, U.'          23 0000-0001-5923-8986 
# 
_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                     7NKT 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     128.093 
_cell.length_a_esd                 ? 
_cell.length_b                     128.093 
_cell.length_b_esd                 ? 
_cell.length_c                     77.676 
_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                         7NKT 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                80 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'I 41' 
_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 'Spike protein S1'                       25951.219 1   ? ? ? ? 
2 polymer     man 'neutralizing nanobody NM1226'           15960.664 1   ? ? ? ? 
3 non-polymer syn 2-acetamido-2-deoxy-beta-D-glucopyranose 221.208   1   ? ? ? ? 
4 non-polymer syn 'PHOSPHATE ION'                          94.971    1   ? ? ? ? 
5 non-polymer syn 'DI(HYDROXYETHYL)ETHER'                  106.120   3   ? ? ? ? 
6 water       nat water                                    18.015    137 ? ? ? ? 
# 
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 
;RVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYAD
SFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGST
PCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFHHHHHH
;
;RVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYAD
SFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGST
PCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFHHHHHH
;
AAA ? 
2 'polypeptide(L)' no no 
;QVQLVESGGGSVQPGGSLRLSCLGSGSLDYYAIGWFRQAPGKEREGVSCIASSGDRTIYADSVKGRFTISRDYGKNTVYL
QMNSLKPEDTAMYYCAALQGSYYYTGFVANEYDYWGQGAPVTVSSEQKLISEEDLKKKHHHHHH
;
;QVQLVESGGGSVQPGGSLRLSCLGSGSLDYYAIGWFRQAPGKEREGVSCIASSGDRTIYADSVKGRFTISRDYGKNTVYL
QMNSLKPEDTAMYYCAALQGSYYYTGFVANEYDYWGQGAPVTVSSEQKLISEEDLKKKHHHHHH
;
BBB ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ARG n 
1 2   VAL n 
1 3   GLN n 
1 4   PRO n 
1 5   THR n 
1 6   GLU n 
1 7   SER n 
1 8   ILE n 
1 9   VAL n 
1 10  ARG n 
1 11  PHE n 
1 12  PRO n 
1 13  ASN n 
1 14  ILE n 
1 15  THR n 
1 16  ASN n 
1 17  LEU n 
1 18  CYS n 
1 19  PRO n 
1 20  PHE n 
1 21  GLY n 
1 22  GLU n 
1 23  VAL n 
1 24  PHE n 
1 25  ASN n 
1 26  ALA n 
1 27  THR n 
1 28  ARG n 
1 29  PHE n 
1 30  ALA n 
1 31  SER n 
1 32  VAL n 
1 33  TYR n 
1 34  ALA n 
1 35  TRP n 
1 36  ASN n 
1 37  ARG n 
1 38  LYS n 
1 39  ARG n 
1 40  ILE n 
1 41  SER n 
1 42  ASN n 
1 43  CYS n 
1 44  VAL n 
1 45  ALA n 
1 46  ASP n 
1 47  TYR n 
1 48  SER n 
1 49  VAL n 
1 50  LEU n 
1 51  TYR n 
1 52  ASN n 
1 53  SER n 
1 54  ALA n 
1 55  SER n 
1 56  PHE n 
1 57  SER n 
1 58  THR n 
1 59  PHE n 
1 60  LYS n 
1 61  CYS n 
1 62  TYR n 
1 63  GLY n 
1 64  VAL n 
1 65  SER n 
1 66  PRO n 
1 67  THR n 
1 68  LYS n 
1 69  LEU n 
1 70  ASN n 
1 71  ASP n 
1 72  LEU n 
1 73  CYS n 
1 74  PHE n 
1 75  THR n 
1 76  ASN n 
1 77  VAL n 
1 78  TYR n 
1 79  ALA n 
1 80  ASP n 
1 81  SER n 
1 82  PHE n 
1 83  VAL n 
1 84  ILE n 
1 85  ARG n 
1 86  GLY n 
1 87  ASP n 
1 88  GLU n 
1 89  VAL n 
1 90  ARG n 
1 91  GLN n 
1 92  ILE n 
1 93  ALA n 
1 94  PRO n 
1 95  GLY n 
1 96  GLN n 
1 97  THR n 
1 98  GLY n 
1 99  LYS n 
1 100 ILE n 
1 101 ALA n 
1 102 ASP n 
1 103 TYR n 
1 104 ASN n 
1 105 TYR n 
1 106 LYS n 
1 107 LEU n 
1 108 PRO n 
1 109 ASP n 
1 110 ASP n 
1 111 PHE n 
1 112 THR n 
1 113 GLY n 
1 114 CYS n 
1 115 VAL n 
1 116 ILE n 
1 117 ALA n 
1 118 TRP n 
1 119 ASN n 
1 120 SER n 
1 121 ASN n 
1 122 ASN n 
1 123 LEU n 
1 124 ASP n 
1 125 SER n 
1 126 LYS n 
1 127 VAL n 
1 128 GLY n 
1 129 GLY n 
1 130 ASN n 
1 131 TYR n 
1 132 ASN n 
1 133 TYR n 
1 134 LEU n 
1 135 TYR n 
1 136 ARG n 
1 137 LEU n 
1 138 PHE n 
1 139 ARG n 
1 140 LYS n 
1 141 SER n 
1 142 ASN n 
1 143 LEU n 
1 144 LYS n 
1 145 PRO n 
1 146 PHE n 
1 147 GLU n 
1 148 ARG n 
1 149 ASP n 
1 150 ILE n 
1 151 SER n 
1 152 THR n 
1 153 GLU n 
1 154 ILE n 
1 155 TYR n 
1 156 GLN n 
1 157 ALA n 
1 158 GLY n 
1 159 SER n 
1 160 THR n 
1 161 PRO n 
1 162 CYS n 
1 163 ASN n 
1 164 GLY n 
1 165 VAL n 
1 166 GLU n 
1 167 GLY n 
1 168 PHE n 
1 169 ASN n 
1 170 CYS n 
1 171 TYR n 
1 172 PHE n 
1 173 PRO n 
1 174 LEU n 
1 175 GLN n 
1 176 SER n 
1 177 TYR n 
1 178 GLY n 
1 179 PHE n 
1 180 GLN n 
1 181 PRO n 
1 182 THR n 
1 183 ASN n 
1 184 GLY n 
1 185 VAL n 
1 186 GLY n 
1 187 TYR n 
1 188 GLN n 
1 189 PRO n 
1 190 TYR n 
1 191 ARG n 
1 192 VAL n 
1 193 VAL n 
1 194 VAL n 
1 195 LEU n 
1 196 SER n 
1 197 PHE n 
1 198 GLU n 
1 199 LEU n 
1 200 LEU n 
1 201 HIS n 
1 202 ALA n 
1 203 PRO n 
1 204 ALA n 
1 205 THR n 
1 206 VAL n 
1 207 CYS n 
1 208 GLY n 
1 209 PRO n 
1 210 LYS n 
1 211 LYS n 
1 212 SER n 
1 213 THR n 
1 214 ASN n 
1 215 LEU n 
1 216 VAL n 
1 217 LYS n 
1 218 ASN n 
1 219 LYS n 
1 220 CYS n 
1 221 VAL n 
1 222 ASN n 
1 223 PHE n 
1 224 HIS n 
1 225 HIS n 
1 226 HIS n 
1 227 HIS n 
1 228 HIS n 
1 229 HIS n 
2 1   GLN n 
2 2   VAL n 
2 3   GLN n 
2 4   LEU n 
2 5   VAL n 
2 6   GLU n 
2 7   SER n 
2 8   GLY n 
2 9   GLY n 
2 10  GLY n 
2 11  SER n 
2 12  VAL n 
2 13  GLN n 
2 14  PRO n 
2 15  GLY n 
2 16  GLY n 
2 17  SER n 
2 18  LEU n 
2 19  ARG n 
2 20  LEU n 
2 21  SER n 
2 22  CYS n 
2 23  LEU n 
2 24  GLY n 
2 25  SER n 
2 26  GLY n 
2 27  SER n 
2 28  LEU n 
2 29  ASP n 
2 30  TYR n 
2 31  TYR n 
2 32  ALA n 
2 33  ILE n 
2 34  GLY n 
2 35  TRP n 
2 36  PHE n 
2 37  ARG n 
2 38  GLN n 
2 39  ALA n 
2 40  PRO n 
2 41  GLY n 
2 42  LYS n 
2 43  GLU n 
2 44  ARG n 
2 45  GLU n 
2 46  GLY n 
2 47  VAL n 
2 48  SER n 
2 49  CYS n 
2 50  ILE n 
2 51  ALA n 
2 52  SER n 
2 53  SER n 
2 54  GLY n 
2 55  ASP n 
2 56  ARG n 
2 57  THR n 
2 58  ILE n 
2 59  TYR n 
2 60  ALA n 
2 61  ASP n 
2 62  SER n 
2 63  VAL n 
2 64  LYS n 
2 65  GLY n 
2 66  ARG n 
2 67  PHE n 
2 68  THR n 
2 69  ILE n 
2 70  SER n 
2 71  ARG n 
2 72  ASP n 
2 73  TYR n 
2 74  GLY n 
2 75  LYS n 
2 76  ASN n 
2 77  THR n 
2 78  VAL n 
2 79  TYR n 
2 80  LEU n 
2 81  GLN n 
2 82  MET n 
2 83  ASN n 
2 84  SER n 
2 85  LEU n 
2 86  LYS n 
2 87  PRO n 
2 88  GLU n 
2 89  ASP n 
2 90  THR n 
2 91  ALA n 
2 92  MET n 
2 93  TYR n 
2 94  TYR n 
2 95  CYS n 
2 96  ALA n 
2 97  ALA n 
2 98  LEU n 
2 99  GLN n 
2 100 GLY n 
2 101 SER n 
2 102 TYR n 
2 103 TYR n 
2 104 TYR n 
2 105 THR n 
2 106 GLY n 
2 107 PHE n 
2 108 VAL n 
2 109 ALA n 
2 110 ASN n 
2 111 GLU n 
2 112 TYR n 
2 113 ASP n 
2 114 TYR n 
2 115 TRP n 
2 116 GLY n 
2 117 GLN n 
2 118 GLY n 
2 119 ALA n 
2 120 PRO n 
2 121 VAL n 
2 122 THR n 
2 123 VAL n 
2 124 SER n 
2 125 SER n 
2 126 GLU n 
2 127 GLN n 
2 128 LYS n 
2 129 LEU n 
2 130 ILE n 
2 131 SER n 
2 132 GLU n 
2 133 GLU n 
2 134 ASP n 
2 135 LEU n 
2 136 LYS n 
2 137 LYS n 
2 138 LYS n 
2 139 HIS n 
2 140 HIS n 
2 141 HIS n 
2 142 HIS n 
2 143 HIS n 
2 144 HIS 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' 1 229 '2019-nCoV, SARS-CoV-2' ? 'S, 2' ? ? ? ? ? ? 
'Severe acute respiratory syndrome coronavirus 2' 2697049 ? ? ? ? ? ? ? ? 'Homo sapiens'     9606 ? ? ? ? ? ? ? ? 'Expi293F GnTI-' 
? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 144 ?                       ? ?      ? ? ? ? ? ? 'Vicugna pacos' 30538   ? ? ? ? ? ? ? ? 
'Escherichia coli' 562  ? ? ? ? ? ? ? ? ?                ? ? ? ? ? ? ? ? ? ? ? ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP SPIKE_SARS2 P0DTC2 ? 1 
;RVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYAD
SFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGST
PCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNF
;
319 
2 PDB 7NKT        7NKT   ? 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 7NKT AAA 1 ? 223 ? P0DTC2 319 ? 541 ? 319 541 
2 2 7NKT BBB 1 ? 144 ? 7NKT   1   ? 144 ? 1   144 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 7NKT HIS AAA 224 ? UNP P0DTC2 ? ? 'expression tag' 542 1 
1 7NKT HIS AAA 225 ? UNP P0DTC2 ? ? 'expression tag' 543 2 
1 7NKT HIS AAA 226 ? UNP P0DTC2 ? ? 'expression tag' 544 3 
1 7NKT HIS AAA 227 ? UNP P0DTC2 ? ? 'expression tag' 545 4 
1 7NKT HIS AAA 228 ? UNP P0DTC2 ? ? 'expression tag' 546 5 
1 7NKT HIS AAA 229 ? UNP P0DTC2 ? ? 'expression tag' 547 6 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking'          y ALANINE                                  ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking'          y ARGININE                                 ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking'          y ASPARAGINE                               ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking'          y 'ASPARTIC ACID'                          ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking'          y CYSTEINE                                 ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking'          y GLUTAMINE                                ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking'          y 'GLUTAMIC ACID'                          ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'            y GLYCINE                                  ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking'          y HISTIDINE                                ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer                  . WATER                                    ? 'H2 O'           18.015  
ILE 'L-peptide linking'          y ISOLEUCINE                               ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking'          y LEUCINE                                  ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking'          y LYSINE                                   ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking'          y METHIONINE                               ? 'C5 H11 N O2 S'  149.211 
NAG 'D-saccharide, beta linking' . 2-acetamido-2-deoxy-beta-D-glucopyranose 
;N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE
;
'C8 H15 N O6'    221.208 
PEG non-polymer                  . 'DI(HYDROXYETHYL)ETHER'                  ? 'C4 H10 O3'      106.120 
PHE 'L-peptide linking'          y PHENYLALANINE                            ? 'C9 H11 N O2'    165.189 
PO4 non-polymer                  . 'PHOSPHATE ION'                          ? 'O4 P -3'        94.971  
PRO 'L-peptide linking'          y PROLINE                                  ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking'          y SERINE                                   ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking'          y THREONINE                                ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking'          y TRYPTOPHAN                               ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking'          y TYROSINE                                 ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking'          y VALINE                                   ? 'C5 H11 N O2'    117.146 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   7NKT 
_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            3.80 
_exptl_crystal.density_method              ? 
_exptl_crystal.density_percent_sol         67.64 
_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              5.0 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp            277 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '50mM K2HPO4, 20% (w/v) PEG 8000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 2M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2020-12-21 
_diffrn_detector.pdbx_frequency               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    DCCM 
_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   0.9999 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SLS BEAMLINE X06DA' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9999 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   X06DA 
_diffrn_source.pdbx_synchrotron_site       SLS 
# 
_reflns.B_iso_Wilson_estimate            ? 
_reflns.entry_id                         7NKT 
_reflns.data_reduction_details           ? 
_reflns.data_reduction_method            ? 
_reflns.d_resolution_high                2.297 
_reflns.d_resolution_low                 46.103 
_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                       28115 
_reflns.observed_criterion               ? 
_reflns.observed_criterion_F_max         ? 
_reflns.observed_criterion_F_min         ? 
_reflns.observed_criterion_I_max         ? 
_reflns.observed_criterion_I_min         ? 
_reflns.observed_criterion_sigma_F       ? 
_reflns.observed_criterion_sigma_I       ? 
_reflns.percent_possible_obs             99.9 
_reflns.R_free_details                   ? 
_reflns.Rmerge_F_all                     ? 
_reflns.Rmerge_F_obs                     ? 
_reflns.Friedel_coverage                 ? 
_reflns.number_gt                        ? 
_reflns.threshold_expression             ? 
_reflns.pdbx_redundancy                  9.1 
_reflns.pdbx_Rmerge_I_obs                ? 
_reflns.pdbx_Rmerge_I_all                ? 
_reflns.pdbx_Rsym_value                  ? 
_reflns.pdbx_netI_over_av_sigmaI         ? 
_reflns.pdbx_netI_over_sigmaI            19.5 
_reflns.pdbx_res_netI_over_av_sigmaI_2   ? 
_reflns.pdbx_res_netI_over_sigmaI_2      ? 
_reflns.pdbx_chi_squared                 ? 
_reflns.pdbx_scaling_rejects             ? 
_reflns.pdbx_d_res_high_opt              ? 
_reflns.pdbx_d_res_low_opt               ? 
_reflns.pdbx_d_res_opt_method            ? 
_reflns.phase_calculation_details        ? 
_reflns.pdbx_Rrim_I_all                  ? 
_reflns.pdbx_Rpim_I_all                  ? 
_reflns.pdbx_d_opt                       ? 
_reflns.pdbx_number_measured_all         ? 
_reflns.pdbx_diffrn_id                   1 
_reflns.pdbx_ordinal                     1 
_reflns.pdbx_CC_half                     0.999 
_reflns.pdbx_CC_star                     ? 
_reflns.pdbx_R_split                     ? 
# 
_reflns_shell.d_res_high                  2.297 
_reflns_shell.d_res_low                   2.44 
_reflns_shell.meanI_over_sigI_all         ? 
_reflns_shell.meanI_over_sigI_obs         1.4 
_reflns_shell.number_measured_all         ? 
_reflns_shell.number_measured_obs         ? 
_reflns_shell.number_possible             ? 
_reflns_shell.number_unique_all           ? 
_reflns_shell.number_unique_obs           4500 
_reflns_shell.percent_possible_all        99.6 
_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                1 
_reflns_shell.pdbx_diffrn_id              1 
_reflns_shell.pdbx_CC_half                0.484 
_reflns_shell.pdbx_CC_star                ? 
_reflns_shell.pdbx_R_split                ? 
# 
_refine.aniso_B[1][1]                            0.682 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.682 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -1.364 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               59.942 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.964 
_refine.correlation_coeff_Fo_to_Fc_free          0.946 
_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                                 7NKT 
_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                            2.3 
_refine.ls_d_res_low                             46.103 
_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                     28115 
_refine.ls_number_reflns_R_free                  1687 
_refine.ls_number_reflns_R_work                  26428 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.908 
_refine.ls_percent_reflns_R_free                 6.000 
_refine.ls_R_factor_all                          0.187 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2239 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1843 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      '6Z1Z, 6XC4' 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.179 
_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                             12.113 
_refine.overall_SU_ML                            0.145 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        2503 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         40 
_refine_hist.number_atoms_solvent             137 
_refine_hist.number_atoms_total               2680 
_refine_hist.d_res_high                       2.3 
_refine_hist.d_res_low                        46.103 
# 
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' ? 0.007  0.013  2629 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.017  2286 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.463  1.656  3570 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.262  1.578  5306 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.715  5.000  323  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 33.612 21.986 141  ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.138 15.000 384  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 19.526 15.000 16   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.066  0.200  324  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.006  0.020  2994 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  608  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.190  0.200  411  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.179  0.200  2123 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.176  0.200  1232 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.077  0.200  1246 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.142  0.200  136  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.223  0.200  14   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.207  0.200  21   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.142  0.200  9    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 3.653  7.343  1288 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.640  7.342  1287 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 5.262  9.601  1608 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 5.264  9.603  1609 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.990  8.056  1341 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.870  8.038  1338 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 5.482  10.305 1961 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 5.426  10.281 1956 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 8.570  43.873 2812 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 8.578  43.610 2793 ? 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' 2.297  2.357  2063 . 122 1922 99.0790  . 0.415 . 0.415 . 0.415 . . . . . 0.408 . 20 . 0.542 0.564 
'X-RAY DIFFRACTION' 2.357  2.421  2024 . 122 1902 100.0000 . 0.351 . 0.361 . 0.350 . . . . . 0.333 . 20 . 0.736 0.717 
'X-RAY DIFFRACTION' 2.421  2.491  1941 . 116 1825 100.0000 . 0.307 . 0.375 . 0.303 . . . . . 0.274 . 20 . 0.833 0.823 
'X-RAY DIFFRACTION' 2.491  2.567  1894 . 114 1780 100.0000 . 0.263 . 0.298 . 0.260 . . . . . 0.222 . 20 . 0.873 0.884 
'X-RAY DIFFRACTION' 2.567  2.651  1855 . 111 1744 100.0000 . 0.229 . 0.224 . 0.230 . . . . . 0.193 . 20 . 0.904 0.895 
'X-RAY DIFFRACTION' 2.651  2.744  1784 . 107 1676 99.9439  . 0.216 . 0.260 . 0.214 . . . . . 0.174 . 20 . 0.921 0.899 
'X-RAY DIFFRACTION' 2.744  2.847  1719 . 103 1616 100.0000 . 0.200 . 0.232 . 0.198 . . . . . 0.163 . 20 . 0.926 0.921 
'X-RAY DIFFRACTION' 2.847  2.963  1660 . 100 1559 99.9398  . 0.199 . 0.253 . 0.195 . . . . . 0.161 . 20 . 0.928 0.921 
'X-RAY DIFFRACTION' 2.963  3.094  1599 . 96  1503 100.0000 . 0.188 . 0.211 . 0.187 . . . . . 0.157 . 20 . 0.943 0.938 
'X-RAY DIFFRACTION' 3.094  3.245  1520 . 91  1429 100.0000 . 0.190 . 0.258 . 0.186 . . . . . 0.164 . 20 . 0.948 0.927 
'X-RAY DIFFRACTION' 3.245  3.419  1458 . 87  1371 100.0000 . 0.194 . 0.217 . 0.193 . . . . . 0.177 . 20 . 0.953 0.951 
'X-RAY DIFFRACTION' 3.419  3.625  1377 . 83  1294 100.0000 . 0.195 . 0.238 . 0.193 . . . . . 0.178 . 20 . 0.951 0.932 
'X-RAY DIFFRACTION' 3.625  3.874  1286 . 77  1208 99.9222  . 0.181 . 0.213 . 0.179 . . . . . 0.165 . 20 . 0.956 0.943 
'X-RAY DIFFRACTION' 3.874  4.182  1209 . 73  1136 100.0000 . 0.151 . 0.190 . 0.149 . . . . . 0.137 . 20 . 0.964 0.954 
'X-RAY DIFFRACTION' 4.182  4.577  1129 . 67  1062 100.0000 . 0.129 . 0.153 . 0.127 . . . . . 0.120 . 20 . 0.975 0.968 
'X-RAY DIFFRACTION' 4.577  5.111  993  . 60  933  100.0000 . 0.133 . 0.183 . 0.130 . . . . . 0.127 . 20 . 0.975 0.967 
'X-RAY DIFFRACTION' 5.111  5.890  901  . 54  847  100.0000 . 0.164 . 0.215 . 0.161 . . . . . 0.153 . 20 . 0.966 0.946 
'X-RAY DIFFRACTION' 5.890  7.184  765  . 46  719  100.0000 . 0.184 . 0.246 . 0.180 . . . . . 0.176 . 20 . 0.956 0.936 
'X-RAY DIFFRACTION' 7.184  10.039 601  . 36  565  100.0000 . 0.155 . 0.212 . 0.152 . . . . . 0.161 . 20 . 0.966 0.945 
'X-RAY DIFFRACTION' 10.039 46.103 360  . 22  337  99.7222  . 0.212 . 0.197 . 0.213 . . . . . 0.220 . 20 . 0.942 0.953 
# 
_struct.entry_id                     7NKT 
_struct.title                        'RBD domain of SARS-CoV2 in complex with neutralizing nanobody NM1226' 
_struct.pdbx_descriptor              'Surface glycoprotein, neutralizing nanobody NM1226' 
_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        7NKT 
_struct_keywords.text            'RBD, SARS-CoV2, neutralizing nanobody, complex, NM1226, VIRAL PROTEIN' 
_struct_keywords.pdbx_keywords   'VIRAL PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
F N N 5 ? 
G N N 5 ? 
H N N 6 ? 
I N N 6 ? 
# 
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 PRO A 19  ? ASN A 25  ? PRO AAA 337 ASN AAA 343 1 ? 7 
HELX_P HELX_P2  AA2 SER A 31  ? TRP A 35  ? SER AAA 349 TRP AAA 353 5 ? 5 
HELX_P HELX_P3  AA3 TYR A 47  ? ASN A 52  ? TYR AAA 365 ASN AAA 370 1 ? 6 
HELX_P HELX_P4  AA4 LYS A 68  ? ASP A 71  ? LYS AAA 386 ASP AAA 389 5 ? 4 
HELX_P HELX_P5  AA5 ASP A 87  ? ILE A 92  ? ASP AAA 405 ILE AAA 410 5 ? 6 
HELX_P HELX_P6  AA6 GLY A 98  ? ASN A 104 ? GLY AAA 416 ASN AAA 422 1 ? 7 
HELX_P HELX_P7  AA7 SER A 120 ? SER A 125 ? SER AAA 438 SER AAA 443 1 ? 6 
HELX_P HELX_P8  AA8 GLY A 184 ? TYR A 187 ? GLY AAA 502 TYR AAA 505 5 ? 4 
HELX_P HELX_P9  AA9 ASP B 61  ? LYS B 64  ? ASP BBB 61  LYS BBB 64  5 ? 4 
HELX_P HELX_P10 AB1 LYS B 86  ? THR B 90  ? LYS BBB 86  THR BBB 90  5 ? 5 
HELX_P HELX_P11 AB2 VAL B 108 ? TYR B 112 ? VAL BBB 108 TYR BBB 112 5 ? 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 18  SG  ? ? ? 1_555 A CYS 43  SG ? ? AAA CYS 336 AAA CYS 361 1_555 ? ? ? ? ? ? ? 1.988 ? ? 
disulf2 disulf ?   ? A CYS 61  SG  ? ? ? 1_555 A CYS 114 SG ? ? AAA CYS 379 AAA CYS 432 1_555 ? ? ? ? ? ? ? 2.104 ? ? 
disulf3 disulf ?   ? A CYS 73  SG  ? ? ? 1_555 A CYS 207 SG ? ? AAA CYS 391 AAA CYS 525 1_555 ? ? ? ? ? ? ? 2.025 ? ? 
disulf4 disulf ?   ? A CYS 162 SG  ? ? ? 1_555 A CYS 170 SG ? ? AAA CYS 480 AAA CYS 488 1_555 ? ? ? ? ? ? ? 2.128 ? ? 
disulf5 disulf ?   ? B CYS 22  SG  ? ? ? 1_555 B CYS 95  SG ? ? BBB CYS 22  BBB CYS 95  1_555 ? ? ? ? ? ? ? 2.080 ? ? 
covale1 covale one ? A ASN 25  ND2 ? ? ? 1_555 C NAG .   C1 ? ? AAA ASN 343 AAA NAG 601 1_555 ? ? ? ? ? ? ? 1.440 ? 
N-Glycosylation 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 5 ? 
AA2 ? 3 ? 
AA3 ? 2 ? 
AA4 ? 2 ? 
AA5 ? 4 ? 
AA6 ? 6 ? 
AA7 ? 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 
AA1 4 5 ? anti-parallel 
AA2 1 2 ? parallel      
AA2 2 3 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA5 1 2 ? anti-parallel 
AA5 2 3 ? anti-parallel 
AA5 3 4 ? anti-parallel 
AA6 1 2 ? parallel      
AA6 2 3 ? anti-parallel 
AA6 3 4 ? anti-parallel 
AA6 4 5 ? anti-parallel 
AA6 5 6 ? anti-parallel 
AA7 1 2 ? parallel      
AA7 2 3 ? anti-parallel 
AA7 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 ASN A 36  ? ILE A 40  ? ASN AAA 354 ILE AAA 358 
AA1 2 ASN A 76  ? ARG A 85  ? ASN AAA 394 ARG AAA 403 
AA1 3 PRO A 189 ? GLU A 198 ? PRO AAA 507 GLU AAA 516 
AA1 4 GLY A 113 ? ASN A 119 ? GLY AAA 431 ASN AAA 437 
AA1 5 THR A 58  ? TYR A 62  ? THR AAA 376 TYR AAA 380 
AA2 1 CYS A 43  ? VAL A 44  ? CYS AAA 361 VAL AAA 362 
AA2 2 VAL A 206 ? CYS A 207 ? VAL AAA 524 CYS AAA 525 
AA2 3 CYS A 73  ? PHE A 74  ? CYS AAA 391 PHE AAA 392 
AA3 1 LEU A 134 ? ARG A 136 ? LEU AAA 452 ARG AAA 454 
AA3 2 LEU A 174 ? SER A 176 ? LEU AAA 492 SER AAA 494 
AA4 1 TYR A 155 ? GLN A 156 ? TYR AAA 473 GLN AAA 474 
AA4 2 CYS A 170 ? TYR A 171 ? CYS AAA 488 TYR AAA 489 
AA5 1 LEU B 4   ? SER B 7   ? LEU BBB 4   SER BBB 7   
AA5 2 LEU B 18  ? GLY B 24  ? LEU BBB 18  GLY BBB 24  
AA5 3 THR B 77  ? MET B 82  ? THR BBB 77  MET BBB 82  
AA5 4 PHE B 67  ? ASP B 72  ? PHE BBB 67  ASP BBB 72  
AA6 1 GLY B 10  ? VAL B 12  ? GLY BBB 10  VAL BBB 12  
AA6 2 ALA B 119 ? VAL B 123 ? ALA BBB 119 VAL BBB 123 
AA6 3 ALA B 91  ? LEU B 98  ? ALA BBB 91  LEU BBB 98  
AA6 4 ALA B 32  ? GLN B 38  ? ALA BBB 32  GLN BBB 38  
AA6 5 GLU B 45  ? ILE B 50  ? GLU BBB 45  ILE BBB 50  
AA6 6 THR B 57  ? TYR B 59  ? THR BBB 57  TYR BBB 59  
AA7 1 GLY B 10  ? VAL B 12  ? GLY BBB 10  VAL BBB 12  
AA7 2 ALA B 119 ? VAL B 123 ? ALA BBB 119 VAL BBB 123 
AA7 3 ALA B 91  ? LEU B 98  ? ALA BBB 91  LEU BBB 98  
AA7 4 TYR B 114 ? TRP B 115 ? TYR BBB 114 TRP BBB 115 
# 
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 ILE A 40  ? N ILE AAA 358 O VAL A 77  ? O VAL AAA 395 
AA1 2 3 N ILE A 84  ? N ILE AAA 402 O TYR A 190 ? O TYR AAA 508 
AA1 3 4 O VAL A 193 ? O VAL AAA 511 N ILE A 116 ? N ILE AAA 434 
AA1 4 5 O VAL A 115 ? O VAL AAA 433 N LYS A 60  ? N LYS AAA 378 
AA2 1 2 N CYS A 43  ? N CYS AAA 361 O CYS A 207 ? O CYS AAA 525 
AA2 2 3 O VAL A 206 ? O VAL AAA 524 N PHE A 74  ? N PHE AAA 392 
AA3 1 2 N TYR A 135 ? N TYR AAA 453 O GLN A 175 ? O GLN AAA 493 
AA4 1 2 N TYR A 155 ? N TYR AAA 473 O TYR A 171 ? O TYR AAA 489 
AA5 1 2 N VAL B 5   ? N VAL BBB 5   O LEU B 23  ? O LEU BBB 23  
AA5 2 3 N LEU B 18  ? N LEU BBB 18  O MET B 82  ? O MET BBB 82  
AA5 3 4 O GLN B 81  ? O GLN BBB 81  N THR B 68  ? N THR BBB 68  
AA6 1 2 N GLY B 10  ? N GLY BBB 10  O THR B 122 ? O THR BBB 122 
AA6 2 3 O ALA B 119 ? O ALA BBB 119 N TYR B 93  ? N TYR BBB 93  
AA6 3 4 O ALA B 96  ? O ALA BBB 96  N GLY B 34  ? N GLY BBB 34  
AA6 4 5 N TRP B 35  ? N TRP BBB 35  O VAL B 47  ? O VAL BBB 47  
AA6 5 6 N CYS B 49  ? N CYS BBB 49  O ILE B 58  ? O ILE BBB 58  
AA7 1 2 N GLY B 10  ? N GLY BBB 10  O THR B 122 ? O THR BBB 122 
AA7 2 3 O ALA B 119 ? O ALA BBB 119 N TYR B 93  ? N TYR BBB 93  
AA7 3 4 N ALA B 97  ? N ALA BBB 97  O TYR B 114 ? O TYR BBB 114 
# 
_atom_sites.entry_id                    7NKT 
_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]   0.007807 
_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]   0.007807 
_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]   0.012874 
_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   
P 6.435  1.907  4.179 27.157 1.780 0.526  1.491 68.164 1.273   
S 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.055   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
_atom_site.pdbx_tls_group_id 
ATOM   1    N N   . ILE A 1 14  ? 26.031  -10.105 45.767 1.000 153.733 ? 332 ILE AAA N   1 ? 1  
ATOM   2    C CA  . ILE A 1 14  ? 26.038  -10.016 44.272 1.000 146.661 ? 332 ILE AAA CA  1 ? 1  
ATOM   3    C C   . ILE A 1 14  ? 25.128  -8.848  43.844 1.000 138.805 ? 332 ILE AAA C   1 ? 1  
ATOM   4    O O   . ILE A 1 14  ? 23.901  -8.939  44.069 1.000 123.387 ? 332 ILE AAA O   1 ? 1  
ATOM   5    C CB  . ILE A 1 14  ? 25.649  -11.374 43.634 1.000 147.635 ? 332 ILE AAA CB  1 ? 1  
ATOM   6    C CG1 . ILE A 1 14  ? 24.364  -11.970 44.225 1.000 144.349 ? 332 ILE AAA CG1 1 ? 1  
ATOM   7    C CG2 . ILE A 1 14  ? 26.807  -12.366 43.725 1.000 139.797 ? 332 ILE AAA CG2 1 ? 1  
ATOM   8    C CD1 . ILE A 1 14  ? 23.871  -13.221 43.516 1.000 139.128 ? 332 ILE AAA CD1 1 ? 1  
ATOM   9    N N   . THR A 1 15  ? 25.717  -7.773  43.296 1.000 136.320 ? 333 THR AAA N   1 ? 1  
ATOM   10   C CA  . THR A 1 15  ? 25.009  -6.570  42.759 1.000 136.883 ? 333 THR AAA CA  1 ? 1  
ATOM   11   C C   . THR A 1 15  ? 25.346  -6.394  41.262 1.000 129.598 ? 333 THR AAA C   1 ? 1  
ATOM   12   O O   . THR A 1 15  ? 25.128  -5.274  40.717 1.000 109.246 ? 333 THR AAA O   1 ? 1  
ATOM   13   C CB  . THR A 1 15  ? 25.305  -5.315  43.603 1.000 137.911 ? 333 THR AAA CB  1 ? 1  
ATOM   14   O OG1 . THR A 1 15  ? 26.291  -4.505  42.960 1.000 132.775 ? 333 THR AAA OG1 1 ? 1  
ATOM   15   C CG2 . THR A 1 15  ? 25.770  -5.628  45.011 1.000 137.761 ? 333 THR AAA CG2 1 ? 1  
ATOM   16   N N   . ASN A 1 16  ? 25.838  -7.463  40.618 1.000 119.431 ? 334 ASN AAA N   1 ? 1  
ATOM   17   C CA  . ASN A 1 16  ? 26.105  -7.543  39.154 1.000 120.944 ? 334 ASN AAA CA  1 ? 1  
ATOM   18   C C   . ASN A 1 16  ? 24.781  -7.776  38.405 1.000 112.149 ? 334 ASN AAA C   1 ? 1  
ATOM   19   O O   . ASN A 1 16  ? 24.261  -8.916  38.485 1.000 98.816  ? 334 ASN AAA O   1 ? 1  
ATOM   20   C CB  . ASN A 1 16  ? 27.106  -8.659  38.822 1.000 123.975 ? 334 ASN AAA CB  1 ? 1  
ATOM   21   C CG  . ASN A 1 16  ? 28.559  -8.252  38.967 1.000 128.817 ? 334 ASN AAA CG  1 ? 1  
ATOM   22   O OD1 . ASN A 1 16  ? 29.448  -9.096  38.886 1.000 128.012 ? 334 ASN AAA OD1 1 ? 1  
ATOM   23   N ND2 . ASN A 1 16  ? 28.818  -6.967  39.164 1.000 121.239 ? 334 ASN AAA ND2 1 ? 1  
ATOM   24   N N   . LEU A 1 17  ? 24.266  -6.753  37.702 1.000 106.063 ? 335 LEU AAA N   1 ? 1  
ATOM   25   C CA  . LEU A 1 17  ? 23.001  -6.820  36.907 1.000 107.827 ? 335 LEU AAA CA  1 ? 1  
ATOM   26   C C   . LEU A 1 17  ? 23.228  -7.599  35.596 1.000 101.342 ? 335 LEU AAA C   1 ? 1  
ATOM   27   O O   . LEU A 1 17  ? 23.955  -7.079  34.714 1.000 107.717 ? 335 LEU AAA O   1 ? 1  
ATOM   28   C CB  . LEU A 1 17  ? 22.500  -5.398  36.633 1.000 107.166 ? 335 LEU AAA CB  1 ? 1  
ATOM   29   C CG  . LEU A 1 17  ? 21.221  -5.308  35.795 1.000 119.166 ? 335 LEU AAA CG  1 ? 1  
ATOM   30   C CD1 . LEU A 1 17  ? 20.319  -4.180  36.282 1.000 118.351 ? 335 LEU AAA CD1 1 ? 1  
ATOM   31   C CD2 . LEU A 1 17  ? 21.528  -5.147  34.305 1.000 120.164 ? 335 LEU AAA CD2 1 ? 1  
ATOM   32   N N   . CYS A 1 18  ? 22.603  -8.781  35.460 1.000 118.006 ? 336 CYS AAA N   1 ? 2  
ATOM   33   C CA  . CYS A 1 18  ? 22.847  -9.775  34.369 1.000 109.954 ? 336 CYS AAA CA  1 ? 2  
ATOM   34   C C   . CYS A 1 18  ? 22.908  -9.076  33.013 1.000 92.831  ? 336 CYS AAA C   1 ? 2  
ATOM   35   C CB  . CYS A 1 18  ? 21.858  -10.948 34.396 1.000 107.003 ? 336 CYS AAA CB  1 ? 2  
ATOM   36   S SG  . CYS A 1 18  ? 22.278  -12.208 35.651 1.000 105.504 ? 336 CYS AAA SG  1 ? 2  
ATOM   37   N N   . PRO A 1 19  ? 23.966  -9.408  32.239 1.000 95.874  ? 337 PRO AAA N   1 ? 2  
ATOM   38   C CA  . PRO A 1 19  ? 24.248  -8.768  30.952 1.000 92.465  ? 337 PRO AAA CA  1 ? 2  
ATOM   39   C C   . PRO A 1 19  ? 23.382  -9.395  29.851 1.000 83.541  ? 337 PRO AAA C   1 ? 2  
ATOM   40   O O   . PRO A 1 19  ? 23.904  -10.052 28.945 1.000 80.386  ? 337 PRO AAA O   1 ? 2  
ATOM   41   C CB  . PRO A 1 19  ? 25.737  -9.088  30.758 1.000 92.765  ? 337 PRO AAA CB  1 ? 2  
ATOM   42   C CG  . PRO A 1 19  ? 25.861  -10.494 31.327 1.000 91.723  ? 337 PRO AAA CG  1 ? 2  
ATOM   43   C CD  . PRO A 1 19  ? 24.921  -10.500 32.521 1.000 93.556  ? 337 PRO AAA CD  1 ? 2  
ATOM   44   N N   . PHE A 1 20  ? 22.068  -9.217  29.985 1.000 79.587  ? 338 PHE AAA N   1 ? 2  
ATOM   45   C CA  . PHE A 1 20  ? 21.055  -9.684  29.011 1.000 73.762  ? 338 PHE AAA CA  1 ? 2  
ATOM   46   C C   . PHE A 1 20  ? 21.090  -8.761  27.796 1.000 68.905  ? 338 PHE AAA C   1 ? 2  
ATOM   47   O O   . PHE A 1 20  ? 20.722  -9.236  26.724 1.000 63.910  ? 338 PHE AAA O   1 ? 2  
ATOM   48   C CB  . PHE A 1 20  ? 19.664  -9.772  29.649 1.000 74.777  ? 338 PHE AAA CB  1 ? 2  
ATOM   49   C CG  . PHE A 1 20  ? 19.452  -10.967 30.543 1.000 74.056  ? 338 PHE AAA CG  1 ? 2  
ATOM   50   C CD1 . PHE A 1 20  ? 20.041  -12.191 30.259 1.000 72.948  ? 338 PHE AAA CD1 1 ? 2  
ATOM   51   C CD2 . PHE A 1 20  ? 18.641  -10.871 31.659 1.000 77.302  ? 338 PHE AAA CD2 1 ? 2  
ATOM   52   C CE1 . PHE A 1 20  ? 19.850  -13.286 31.086 1.000 72.759  ? 338 PHE AAA CE1 1 ? 2  
ATOM   53   C CE2 . PHE A 1 20  ? 18.438  -11.973 32.473 1.000 80.779  ? 338 PHE AAA CE2 1 ? 2  
ATOM   54   C CZ  . PHE A 1 20  ? 19.042  -13.178 32.185 1.000 75.290  ? 338 PHE AAA CZ  1 ? 2  
ATOM   55   N N   . GLY A 1 21  ? 21.518  -7.507  27.971 1.000 70.410  ? 339 GLY AAA N   1 ? 2  
ATOM   56   C CA  . GLY A 1 21  ? 21.760  -6.555  26.870 1.000 71.085  ? 339 GLY AAA CA  1 ? 2  
ATOM   57   C C   . GLY A 1 21  ? 22.681  -7.160  25.829 1.000 68.725  ? 339 GLY AAA C   1 ? 2  
ATOM   58   O O   . GLY A 1 21  ? 22.359  -7.079  24.625 1.000 65.727  ? 339 GLY AAA O   1 ? 2  
ATOM   59   N N   . GLU A 1 22  ? 23.764  -7.793  26.283 1.000 69.676  ? 340 GLU AAA N   1 ? 2  
ATOM   60   C CA  . GLU A 1 22  ? 24.810  -8.401  25.416 1.000 70.288  ? 340 GLU AAA CA  1 ? 2  
ATOM   61   C C   . GLU A 1 22  ? 24.196  -9.515  24.585 1.000 59.571  ? 340 GLU AAA C   1 ? 2  
ATOM   62   O O   . GLU A 1 22  ? 24.603  -9.682  23.441 1.000 62.046  ? 340 GLU AAA O   1 ? 2  
ATOM   63   C CB  . GLU A 1 22  ? 25.953  -9.015  26.223 1.000 77.859  ? 340 GLU AAA CB  1 ? 2  
ATOM   64   C CG  . GLU A 1 22  ? 27.053  -8.029  26.559 1.000 87.249  ? 340 GLU AAA CG  1 ? 2  
ATOM   65   C CD  . GLU A 1 22  ? 27.998  -8.534  27.632 1.000 93.119  ? 340 GLU AAA CD  1 ? 2  
ATOM   66   O OE1 . GLU A 1 22  ? 28.096  -9.778  27.799 1.000 93.287  ? 340 GLU AAA OE1 1 ? 2  
ATOM   67   O OE2 . GLU A 1 22  ? 28.615  -7.687  28.301 1.000 96.804  ? 340 GLU AAA OE2 1 ? 2  
ATOM   68   N N   . VAL A 1 23  ? 23.272  -10.268 25.162 1.000 56.285  ? 341 VAL AAA N   1 ? 2  
ATOM   69   C CA  . VAL A 1 23  ? 22.649  -11.417 24.452 1.000 55.473  ? 341 VAL AAA CA  1 ? 2  
ATOM   70   C C   . VAL A 1 23  ? 21.620  -10.863 23.466 1.000 52.670  ? 341 VAL AAA C   1 ? 2  
ATOM   71   O O   . VAL A 1 23  ? 21.754  -11.159 22.265 1.000 50.295  ? 341 VAL AAA O   1 ? 2  
ATOM   72   C CB  . VAL A 1 23  ? 22.033  -12.426 25.427 1.000 56.448  ? 341 VAL AAA CB  1 ? 2  
ATOM   73   C CG1 . VAL A 1 23  ? 21.431  -13.600 24.683 1.000 53.924  ? 341 VAL AAA CG1 1 ? 2  
ATOM   74   C CG2 . VAL A 1 23  ? 23.058  -12.893 26.449 1.000 60.711  ? 341 VAL AAA CG2 1 ? 2  
ATOM   75   N N   . PHE A 1 24  ? 20.673  -10.058 23.951 1.000 52.163  ? 342 PHE AAA N   1 ? 2  
ATOM   76   C CA  . PHE A 1 24  ? 19.478  -9.608  23.185 1.000 55.564  ? 342 PHE AAA CA  1 ? 2  
ATOM   77   C C   . PHE A 1 24  ? 19.823  -8.545  22.126 1.000 53.102  ? 342 PHE AAA C   1 ? 2  
ATOM   78   O O   . PHE A 1 24  ? 19.164  -8.533  21.098 1.000 52.959  ? 342 PHE AAA O   1 ? 2  
ATOM   79   C CB  . PHE A 1 24  ? 18.385  -9.125  24.140 1.000 54.685  ? 342 PHE AAA CB  1 ? 2  
ATOM   80   C CG  . PHE A 1 24  ? 17.676  -10.261 24.820 1.000 56.087  ? 342 PHE AAA CG  1 ? 2  
ATOM   81   C CD1 . PHE A 1 24  ? 18.174  -10.808 25.994 1.000 59.081  ? 342 PHE AAA CD1 1 ? 2  
ATOM   82   C CD2 . PHE A 1 24  ? 16.522  -10.796 24.276 1.000 55.328  ? 342 PHE AAA CD2 1 ? 2  
ATOM   83   C CE1 . PHE A 1 24  ? 17.523  -11.859 26.612 1.000 58.382  ? 342 PHE AAA CE1 1 ? 2  
ATOM   84   C CE2 . PHE A 1 24  ? 15.883  -11.864 24.885 1.000 55.067  ? 342 PHE AAA CE2 1 ? 2  
ATOM   85   C CZ  . PHE A 1 24  ? 16.379  -12.386 26.056 1.000 57.947  ? 342 PHE AAA CZ  1 ? 2  
ATOM   86   N N   . ASN A 1 25  ? 20.803  -7.686  22.380 1.000 59.416  ? 343 ASN AAA N   1 ? 2  
ATOM   87   C CA  . ASN A 1 25  ? 21.125  -6.492  21.549 1.000 62.971  ? 343 ASN AAA CA  1 ? 2  
ATOM   88   C C   . ASN A 1 25  ? 22.506  -6.655  20.907 1.000 59.611  ? 343 ASN AAA C   1 ? 2  
ATOM   89   O O   . ASN A 1 25  ? 23.076  -5.650  20.485 1.000 64.418  ? 343 ASN AAA O   1 ? 2  
ATOM   90   C CB  . ASN A 1 25  ? 21.050  -5.210  22.385 1.000 69.959  ? 343 ASN AAA CB  1 ? 2  
ATOM   91   C CG  . ASN A 1 25  ? 19.625  -4.758  22.640 1.000 79.192  ? 343 ASN AAA CG  1 ? 2  
ATOM   92   O OD1 . ASN A 1 25  ? 18.745  -4.951  21.796 1.000 79.203  ? 343 ASN AAA OD1 1 ? 2  
ATOM   93   N ND2 . ASN A 1 25  ? 19.387  -4.154  23.795 1.000 88.867  ? 343 ASN AAA ND2 1 ? 2  
ATOM   94   N N   . ALA A 1 26  ? 23.033  -7.878  20.836 1.000 56.613  ? 344 ALA AAA N   1 ? 2  
ATOM   95   C CA  . ALA A 1 26  ? 24.247  -8.191  20.054 1.000 55.244  ? 344 ALA AAA CA  1 ? 2  
ATOM   96   C C   . ALA A 1 26  ? 23.995  -7.733  18.614 1.000 54.799  ? 344 ALA AAA C   1 ? 2  
ATOM   97   O O   . ALA A 1 26  ? 22.913  -7.996  18.089 1.000 55.597  ? 344 ALA AAA O   1 ? 2  
ATOM   98   C CB  . ALA A 1 26  ? 24.563  -9.664  20.149 1.000 53.303  ? 344 ALA AAA CB  1 ? 2  
ATOM   99   N N   . THR A 1 27  ? 24.933  -7.009  18.020 1.000 62.711  ? 345 THR AAA N   1 ? 2  
ATOM   100  C CA  . THR A 1 27  ? 24.848  -6.516  16.621 1.000 66.212  ? 345 THR AAA CA  1 ? 2  
ATOM   101  C C   . THR A 1 27  ? 24.826  -7.737  15.699 1.000 61.764  ? 345 THR AAA C   1 ? 2  
ATOM   102  O O   . THR A 1 27  ? 23.954  -7.768  14.828 1.000 59.930  ? 345 THR AAA O   1 ? 2  
ATOM   103  C CB  . THR A 1 27  ? 25.981  -5.520  16.356 1.000 71.180  ? 345 THR AAA CB  1 ? 2  
ATOM   104  O OG1 . THR A 1 27  ? 27.174  -6.155  16.803 1.000 76.977  ? 345 THR AAA OG1 1 ? 2  
ATOM   105  C CG2 . THR A 1 27  ? 25.806  -4.219  17.108 1.000 73.747  ? 345 THR AAA CG2 1 ? 2  
ATOM   106  N N   . ARG A 1 28  ? 25.681  -8.733  15.981 1.000 64.704  ? 346 ARG AAA N   1 ? 2  
ATOM   107  C CA  . ARG A 1 28  ? 25.812  -10.031 15.246 1.000 62.182  ? 346 ARG AAA CA  1 ? 2  
ATOM   108  C C   . ARG A 1 28  ? 25.138  -11.163 16.022 1.000 55.265  ? 346 ARG AAA C   1 ? 2  
ATOM   109  O O   . ARG A 1 28  ? 25.421  -11.318 17.226 1.000 56.899  ? 346 ARG AAA O   1 ? 2  
ATOM   110  C CB  . ARG A 1 28  ? 27.281  -10.443 15.055 1.000 66.981  ? 346 ARG AAA CB  1 ? 2  
ATOM   111  C CG  . ARG A 1 28  ? 28.081  -9.541  14.124 1.000 70.040  ? 346 ARG AAA CG  1 ? 2  
ATOM   112  C CD  . ARG A 1 28  ? 29.545  -9.945  13.961 1.000 74.775  ? 346 ARG AAA CD  1 ? 2  
ATOM   113  N NE  . ARG A 1 28  ? 30.258  -9.069  13.022 1.000 78.740  ? 346 ARG AAA NE  1 ? 2  
ATOM   114  C CZ  . ARG A 1 28  ? 31.563  -9.130  12.736 1.000 82.865  ? 346 ARG AAA CZ  1 ? 2  
ATOM   115  N NH1 . ARG A 1 28  ? 32.327  -10.056 13.292 1.000 83.277  ? 346 ARG AAA NH1 1 ? 2  
ATOM   116  N NH2 . ARG A 1 28  ? 32.104  -8.266  11.888 1.000 83.997  ? 346 ARG AAA NH2 1 ? 2  
ATOM   117  N N   . PHE A 1 29  ? 24.317  -11.955 15.338 1.000 49.715  ? 347 PHE AAA N   1 ? 2  
ATOM   118  C CA  . PHE A 1 29  ? 23.777  -13.248 15.829 1.000 46.939  ? 347 PHE AAA CA  1 ? 2  
ATOM   119  C C   . PHE A 1 29  ? 24.406  -14.390 15.033 1.000 43.769  ? 347 PHE AAA C   1 ? 2  
ATOM   120  O O   . PHE A 1 29  ? 24.778  -14.210 13.862 1.000 40.416  ? 347 PHE AAA O   1 ? 2  
ATOM   121  C CB  . PHE A 1 29  ? 22.250  -13.314 15.717 1.000 46.872  ? 347 PHE AAA CB  1 ? 2  
ATOM   122  C CG  . PHE A 1 29  ? 21.522  -12.879 16.958 1.000 44.809  ? 347 PHE AAA CG  1 ? 2  
ATOM   123  C CD1 . PHE A 1 29  ? 21.840  -11.691 17.583 1.000 52.626  ? 347 PHE AAA CD1 1 ? 2  
ATOM   124  C CD2 . PHE A 1 29  ? 20.554  -13.678 17.526 1.000 46.538  ? 347 PHE AAA CD2 1 ? 2  
ATOM   125  C CE1 . PHE A 1 29  ? 21.197  -11.315 18.750 1.000 54.929  ? 347 PHE AAA CE1 1 ? 2  
ATOM   126  C CE2 . PHE A 1 29  ? 19.901  -13.293 18.680 1.000 47.384  ? 347 PHE AAA CE2 1 ? 2  
ATOM   127  C CZ  . PHE A 1 29  ? 20.224  -12.112 19.292 1.000 49.833  ? 347 PHE AAA CZ  1 ? 2  
ATOM   128  N N   . ALA A 1 30  ? 24.516  -15.534 15.693 1.000 42.723  ? 348 ALA AAA N   1 ? 2  
ATOM   129  C CA  . ALA A 1 30  ? 25.057  -16.792 15.154 1.000 44.207  ? 348 ALA AAA CA  1 ? 2  
ATOM   130  C C   . ALA A 1 30  ? 24.088  -17.410 14.130 1.000 47.287  ? 348 ALA AAA C   1 ? 2  
ATOM   131  O O   . ALA A 1 30  ? 22.869  -17.166 14.181 1.000 45.117  ? 348 ALA AAA O   1 ? 2  
ATOM   132  C CB  . ALA A 1 30  ? 25.306  -17.730 16.301 1.000 44.102  ? 348 ALA AAA CB  1 ? 2  
ATOM   133  N N   . SER A 1 31  ? 24.631  -18.191 13.202 1.000 45.829  ? 349 SER AAA N   1 ? 2  
ATOM   134  C CA  . SER A 1 31  ? 23.855  -19.173 12.415 1.000 41.635  ? 349 SER AAA CA  1 ? 2  
ATOM   135  C C   . SER A 1 31  ? 23.364  -20.247 13.389 1.000 42.034  ? 349 SER AAA C   1 ? 2  
ATOM   136  O O   . SER A 1 31  ? 24.105  -20.593 14.355 1.000 40.951  ? 349 SER AAA O   1 ? 2  
ATOM   137  C CB  . SER A 1 31  ? 24.681  -19.767 11.296 1.000 41.470  ? 349 SER AAA CB  1 ? 2  
ATOM   138  O OG  . SER A 1 31  ? 24.754  -18.869 10.204 1.000 44.074  ? 349 SER AAA OG  1 ? 2  
ATOM   139  N N   . VAL A 1 32  ? 22.187  -20.782 13.112 1.000 38.863  ? 350 VAL AAA N   1 ? 2  
ATOM   140  C CA  . VAL A 1 32  ? 21.510  -21.773 13.982 1.000 41.461  ? 350 VAL AAA CA  1 ? 2  
ATOM   141  C C   . VAL A 1 32  ? 22.364  -23.037 14.082 1.000 42.482  ? 350 VAL AAA C   1 ? 2  
ATOM   142  O O   . VAL A 1 32  ? 22.464  -23.546 15.196 1.000 42.290  ? 350 VAL AAA O   1 ? 2  
ATOM   143  C CB  . VAL A 1 32  ? 20.075  -22.060 13.515 1.000 40.710  ? 350 VAL AAA CB  1 ? 2  
ATOM   144  C CG1 . VAL A 1 32  ? 20.006  -22.710 12.139 1.000 41.354  ? 350 VAL AAA CG1 1 ? 2  
ATOM   145  C CG2 . VAL A 1 32  ? 19.359  -22.904 14.554 1.000 42.679  ? 350 VAL AAA CG2 1 ? 2  
ATOM   146  N N   . TYR A 1 33  ? 22.982  -23.507 12.994 1.000 40.574  ? 351 TYR AAA N   1 ? 2  
ATOM   147  C CA  . TYR A 1 33  ? 23.839  -24.726 13.024 1.000 41.390  ? 351 TYR AAA CA  1 ? 2  
ATOM   148  C C   . TYR A 1 33  ? 24.997  -24.492 14.002 1.000 42.458  ? 351 TYR AAA C   1 ? 2  
ATOM   149  O O   . TYR A 1 33  ? 25.533  -25.484 14.596 1.000 40.717  ? 351 TYR AAA O   1 ? 2  
ATOM   150  C CB  . TYR A 1 33  ? 24.331  -25.130 11.624 1.000 43.728  ? 351 TYR AAA CB  1 ? 2  
ATOM   151  C CG  . TYR A 1 33  ? 25.593  -24.448 11.161 1.000 40.089  ? 351 TYR AAA CG  1 ? 2  
ATOM   152  C CD1 . TYR A 1 33  ? 25.539  -23.210 10.544 1.000 43.572  ? 351 TYR AAA CD1 1 ? 2  
ATOM   153  C CD2 . TYR A 1 33  ? 26.830  -25.034 11.326 1.000 42.917  ? 351 TYR AAA CD2 1 ? 2  
ATOM   154  C CE1 . TYR A 1 33  ? 26.684  -22.551 10.137 1.000 43.099  ? 351 TYR AAA CE1 1 ? 2  
ATOM   155  C CE2 . TYR A 1 33  ? 27.990  -24.381 10.939 1.000 42.485  ? 351 TYR AAA CE2 1 ? 2  
ATOM   156  C CZ  . TYR A 1 33  ? 27.913  -23.138 10.349 1.000 42.787  ? 351 TYR AAA CZ  1 ? 2  
ATOM   157  O OH  . TYR A 1 33  ? 29.034  -22.481 9.959  1.000 47.516  ? 351 TYR AAA OH  1 ? 2  
ATOM   158  N N   . ALA A 1 34  ? 25.400  -23.226 14.150 1.000 39.600  ? 352 ALA AAA N   1 ? 2  
ATOM   159  C CA  . ALA A 1 34  ? 26.600  -22.833 14.927 1.000 44.309  ? 352 ALA AAA CA  1 ? 2  
ATOM   160  C C   . ALA A 1 34  ? 26.130  -22.026 16.131 1.000 41.680  ? 352 ALA AAA C   1 ? 2  
ATOM   161  O O   . ALA A 1 34  ? 26.779  -21.020 16.490 1.000 47.696  ? 352 ALA AAA O   1 ? 2  
ATOM   162  C CB  . ALA A 1 34  ? 27.582  -22.065 14.053 1.000 46.256  ? 352 ALA AAA CB  1 ? 2  
ATOM   163  N N   . TRP A 1 35  ? 25.013  -22.446 16.713 1.000 41.401  ? 353 TRP AAA N   1 ? 2  
ATOM   164  C CA  . TRP A 1 35  ? 24.296  -21.637 17.729 1.000 43.950  ? 353 TRP AAA CA  1 ? 2  
ATOM   165  C C   . TRP A 1 35  ? 25.290  -21.238 18.826 1.000 44.754  ? 353 TRP AAA C   1 ? 2  
ATOM   166  O O   . TRP A 1 35  ? 26.192  -22.037 19.147 1.000 40.794  ? 353 TRP AAA O   1 ? 2  
ATOM   167  C CB  . TRP A 1 35  ? 23.070  -22.374 18.285 1.000 42.697  ? 353 TRP AAA CB  1 ? 2  
ATOM   168  C CG  . TRP A 1 35  ? 23.320  -23.786 18.732 1.000 44.462  ? 353 TRP AAA CG  1 ? 2  
ATOM   169  C CD1 . TRP A 1 35  ? 23.280  -24.916 17.967 1.000 42.785  ? 353 TRP AAA CD1 1 ? 2  
ATOM   170  C CD2 . TRP A 1 35  ? 23.593  -24.229 20.072 1.000 43.913  ? 353 TRP AAA CD2 1 ? 2  
ATOM   171  N NE1 . TRP A 1 35  ? 23.511  -26.027 18.730 1.000 45.433  ? 353 TRP AAA NE1 1 ? 2  
ATOM   172  C CE2 . TRP A 1 35  ? 23.719  -25.634 20.025 1.000 48.176  ? 353 TRP AAA CE2 1 ? 2  
ATOM   173  C CE3 . TRP A 1 35  ? 23.731  -23.585 21.303 1.000 46.844  ? 353 TRP AAA CE3 1 ? 2  
ATOM   174  C CZ2 . TRP A 1 35  ? 23.983  -26.396 21.164 1.000 48.601  ? 353 TRP AAA CZ2 1 ? 2  
ATOM   175  C CZ3 . TRP A 1 35  ? 23.978  -24.343 22.432 1.000 49.511  ? 353 TRP AAA CZ3 1 ? 2  
ATOM   176  C CH2 . TRP A 1 35  ? 24.109  -25.729 22.357 1.000 47.280  ? 353 TRP AAA CH2 1 ? 2  
ATOM   177  N N   . ASN A 1 36  ? 25.119  -20.034 19.363 1.000 45.501  ? 354 ASN AAA N   1 ? 2  
ATOM   178  C CA  . ASN A 1 36  ? 26.006  -19.433 20.384 1.000 47.291  ? 354 ASN AAA CA  1 ? 2  
ATOM   179  C C   . ASN A 1 36  ? 25.445  -19.753 21.776 1.000 47.543  ? 354 ASN AAA C   1 ? 2  
ATOM   180  O O   . ASN A 1 36  ? 24.227  -19.590 21.980 1.000 47.175  ? 354 ASN AAA O   1 ? 2  
ATOM   181  C CB  . ASN A 1 36  ? 26.164  -17.932 20.140 1.000 49.950  ? 354 ASN AAA CB  1 ? 2  
ATOM   182  C CG  . ASN A 1 36  ? 27.208  -17.335 21.048 1.000 58.755  ? 354 ASN AAA CG  1 ? 2  
ATOM   183  O OD1 . ASN A 1 36  ? 28.397  -17.384 20.745 1.000 66.153  ? 354 ASN AAA OD1 1 ? 2  
ATOM   184  N ND2 . ASN A 1 36  ? 26.767  -16.803 22.178 1.000 64.917  ? 354 ASN AAA ND2 1 ? 2  
ATOM   185  N N   . ARG A 1 37  ? 26.298  -20.182 22.710 1.000 52.960  ? 355 ARG AAA N   1 ? 2  
ATOM   186  C CA  . ARG A 1 37  ? 25.915  -20.348 24.136 1.000 47.433  ? 355 ARG AAA CA  1 ? 2  
ATOM   187  C C   . ARG A 1 37  ? 26.720  -19.376 24.987 1.000 51.871  ? 355 ARG AAA C   1 ? 2  
ATOM   188  O O   . ARG A 1 37  ? 27.955  -19.433 24.942 1.000 52.326  ? 355 ARG AAA O   1 ? 2  
ATOM   189  C CB  . ARG A 1 37  ? 26.143  -21.776 24.629 1.000 50.428  ? 355 ARG AAA CB  1 ? 2  
ATOM   190  C CG  . ARG A 1 37  ? 25.970  -21.945 26.141 1.000 53.234  ? 355 ARG AAA CG  1 ? 2  
ATOM   191  C CD  . ARG A 1 37  ? 25.732  -23.389 26.523 1.000 53.882  ? 355 ARG AAA CD  1 ? 2  
ATOM   192  N NE  . ARG A 1 37  ? 24.394  -23.814 26.131 1.000 54.342  ? 355 ARG AAA NE  1 ? 2  
ATOM   193  C CZ  . ARG A 1 37  ? 23.811  -24.948 26.506 1.000 56.827  ? 355 ARG AAA CZ  1 ? 2  
ATOM   194  N NH1 . ARG A 1 37  ? 24.440  -25.796 27.300 1.000 61.904  ? 355 ARG AAA NH1 1 ? 2  
ATOM   195  N NH2 . ARG A 1 37  ? 22.579  -25.223 26.117 1.000 58.258  ? 355 ARG AAA NH2 1 ? 2  
ATOM   196  N N   . LYS A 1 38  ? 26.013  -18.583 25.791 1.000 52.752  ? 356 LYS AAA N   1 ? 2  
ATOM   197  C CA  . LYS A 1 38  ? 26.572  -17.649 26.784 1.000 56.850  ? 356 LYS AAA CA  1 ? 2  
ATOM   198  C C   . LYS A 1 38  ? 26.192  -18.186 28.172 1.000 65.905  ? 356 LYS AAA C   1 ? 2  
ATOM   199  O O   . LYS A 1 38  ? 24.978  -18.373 28.439 1.000 64.077  ? 356 LYS AAA O   1 ? 2  
ATOM   200  C CB  . LYS A 1 38  ? 26.003  -16.264 26.484 1.000 57.892  ? 356 LYS AAA CB  1 ? 2  
ATOM   201  C CG  . LYS A 1 38  ? 26.318  -15.182 27.499 1.000 62.926  ? 356 LYS AAA CG  1 ? 2  
ATOM   202  C CD  . LYS A 1 38  ? 27.711  -14.668 27.386 1.000 69.415  ? 356 LYS AAA CD  1 ? 2  
ATOM   203  C CE  . LYS A 1 38  ? 27.918  -13.421 28.221 1.000 75.430  ? 356 LYS AAA CE  1 ? 2  
ATOM   204  N NZ  . LYS A 1 38  ? 29.288  -13.395 28.783 1.000 81.696  ? 356 LYS AAA NZ  1 ? 2  
ATOM   205  N N   . ARG A 1 39  ? 27.189  -18.470 29.008 1.000 69.629  ? 357 ARG AAA N   1 ? 3  
ATOM   206  C CA  . ARG A 1 39  ? 26.980  -18.908 30.407 1.000 76.363  ? 357 ARG AAA CA  1 ? 3  
ATOM   207  C C   . ARG A 1 39  ? 26.729  -17.654 31.238 1.000 74.818  ? 357 ARG AAA C   1 ? 3  
ATOM   208  O O   . ARG A 1 39  ? 27.543  -16.731 31.159 1.000 76.914  ? 357 ARG AAA O   1 ? 3  
ATOM   209  C CB  . ARG A 1 39  ? 28.159  -19.762 30.893 1.000 84.870  ? 357 ARG AAA CB  1 ? 3  
ATOM   210  C CG  . ARG A 1 39  ? 28.101  -21.190 30.362 1.000 91.325  ? 357 ARG AAA CG  1 ? 3  
ATOM   211  C CD  . ARG A 1 39  ? 29.401  -21.975 30.348 1.000 102.481 ? 357 ARG AAA CD  1 ? 3  
ATOM   212  N NE  . ARG A 1 39  ? 29.329  -23.036 29.344 1.000 107.613 ? 357 ARG AAA NE  1 ? 3  
ATOM   213  C CZ  . ARG A 1 39  ? 29.614  -22.895 28.041 1.000 112.335 ? 357 ARG AAA CZ  1 ? 3  
ATOM   214  N NH1 . ARG A 1 39  ? 29.496  -23.933 27.224 1.000 106.198 ? 357 ARG AAA NH1 1 ? 3  
ATOM   215  N NH2 . ARG A 1 39  ? 30.013  -21.729 27.551 1.000 111.860 ? 357 ARG AAA NH2 1 ? 3  
ATOM   216  N N   . ILE A 1 40  ? 25.586  -17.601 31.919 1.000 74.807  ? 358 ILE AAA N   1 ? 3  
ATOM   217  C CA  . ILE A 1 40  ? 25.253  -16.521 32.890 1.000 79.231  ? 358 ILE AAA CA  1 ? 3  
ATOM   218  C C   . ILE A 1 40  ? 25.392  -17.109 34.304 1.000 83.633  ? 358 ILE AAA C   1 ? 3  
ATOM   219  O O   . ILE A 1 40  ? 24.673  -18.076 34.657 1.000 84.534  ? 358 ILE AAA O   1 ? 3  
ATOM   220  C CB  . ILE A 1 40  ? 23.864  -15.925 32.612 1.000 76.967  ? 358 ILE AAA CB  1 ? 3  
ATOM   221  C CG1 . ILE A 1 40  ? 23.660  -15.600 31.127 1.000 77.691  ? 358 ILE AAA CG1 1 ? 3  
ATOM   222  C CG2 . ILE A 1 40  ? 23.610  -14.719 33.510 1.000 78.213  ? 358 ILE AAA CG2 1 ? 3  
ATOM   223  C CD1 . ILE A 1 40  ? 23.908  -14.156 30.749 1.000 79.160  ? 358 ILE AAA CD1 1 ? 3  
ATOM   224  N N   . SER A 1 41  ? 26.331  -16.568 35.070 1.000 85.918  ? 359 SER AAA N   1 ? 3  
ATOM   225  C CA  . SER A 1 41  ? 26.690  -17.033 36.428 1.000 85.806  ? 359 SER AAA CA  1 ? 3  
ATOM   226  C C   . SER A 1 41  ? 26.952  -15.806 37.303 1.000 87.176  ? 359 SER AAA C   1 ? 3  
ATOM   227  O O   . SER A 1 41  ? 27.275  -14.756 36.715 1.000 79.234  ? 359 SER AAA O   1 ? 3  
ATOM   228  C CB  . SER A 1 41  ? 27.880  -17.965 36.368 1.000 91.178  ? 359 SER AAA CB  1 ? 3  
ATOM   229  O OG  . SER A 1 41  ? 27.513  -19.283 36.766 1.000 97.155  ? 359 SER AAA OG  1 ? 3  
ATOM   230  N N   . ASN A 1 42  ? 26.789  -15.954 38.633 1.000 89.630  ? 360 ASN AAA N   1 ? 3  
ATOM   231  C CA  . ASN A 1 42  ? 27.207  -14.991 39.696 1.000 94.638  ? 360 ASN AAA CA  1 ? 3  
ATOM   232  C C   . ASN A 1 42  ? 26.675  -13.600 39.346 1.000 91.266  ? 360 ASN AAA C   1 ? 3  
ATOM   233  O O   . ASN A 1 42  ? 27.465  -12.652 39.106 1.000 91.909  ? 360 ASN AAA O   1 ? 3  
ATOM   234  C CB  . ASN A 1 42  ? 28.717  -15.016 39.949 1.000 97.121  ? 360 ASN AAA CB  1 ? 3  
ATOM   235  C CG  . ASN A 1 42  ? 29.139  -16.216 40.770 1.000 103.862 ? 360 ASN AAA CG  1 ? 3  
ATOM   236  O OD1 . ASN A 1 42  ? 28.869  -17.353 40.391 1.000 108.007 ? 360 ASN AAA OD1 1 ? 3  
ATOM   237  N ND2 . ASN A 1 42  ? 29.787  -15.976 41.899 1.000 109.696 ? 360 ASN AAA ND2 1 ? 3  
ATOM   238  N N   . CYS A 1 43  ? 25.357  -13.479 39.371 1.000 88.765  ? 361 CYS AAA N   1 ? 3  
ATOM   239  C CA  . CYS A 1 43  ? 24.665  -12.360 38.720 1.000 89.719  ? 361 CYS AAA CA  1 ? 3  
ATOM   240  C C   . CYS A 1 43  ? 23.216  -12.275 39.283 1.000 87.313  ? 361 CYS AAA C   1 ? 3  
ATOM   241  O O   . CYS A 1 43  ? 22.700  -13.331 39.788 1.000 87.088  ? 361 CYS AAA O   1 ? 3  
ATOM   242  C CB  . CYS A 1 43  ? 24.792  -12.616 37.214 1.000 92.005  ? 361 CYS AAA CB  1 ? 3  
ATOM   243  S SG  . CYS A 1 43  ? 23.977  -11.350 36.226 1.000 96.305  ? 361 CYS AAA SG  1 ? 3  
ATOM   244  N N   . VAL A 1 44  ? 22.628  -11.048 39.129 1.000 85.608  ? 362 VAL AAA N   1 ? 3  
ATOM   245  C CA  . VAL A 1 44  ? 21.174  -10.749 39.324 1.000 87.502  ? 362 VAL AAA CA  1 ? 3  
ATOM   246  C C   . VAL A 1 44  ? 20.503  -10.617 37.946 1.000 85.675  ? 362 VAL AAA C   1 ? 3  
ATOM   247  O O   . VAL A 1 44  ? 21.025  -9.841  37.125 1.000 86.733  ? 362 VAL AAA O   1 ? 3  
ATOM   248  C CB  . VAL A 1 44  ? 20.967  -9.464  40.148 1.000 90.791  ? 362 VAL AAA CB  1 ? 3  
ATOM   249  C CG1 . VAL A 1 44  ? 19.492  -9.145  40.348 1.000 89.571  ? 362 VAL AAA CG1 1 ? 3  
ATOM   250  C CG2 . VAL A 1 44  ? 21.683  -9.535  41.489 1.000 97.035  ? 362 VAL AAA CG2 1 ? 3  
ATOM   251  N N   . ALA A 1 45  ? 19.379  -11.316 37.727 1.000 83.366  ? 363 ALA AAA N   1 ? 3  
ATOM   252  C CA  . ALA A 1 45  ? 18.616  -11.351 36.456 1.000 81.575  ? 363 ALA AAA CA  1 ? 3  
ATOM   253  C C   . ALA A 1 45  ? 17.315  -10.549 36.594 1.000 82.331  ? 363 ALA AAA C   1 ? 3  
ATOM   254  O O   . ALA A 1 45  ? 16.450  -10.966 37.370 1.000 83.958  ? 363 ALA AAA O   1 ? 3  
ATOM   255  C CB  . ALA A 1 45  ? 18.344  -12.782 36.047 1.000 79.663  ? 363 ALA AAA CB  1 ? 3  
ATOM   256  N N   . ASP A 1 46  ? 17.191  -9.447  35.849 1.000 82.287  ? 364 ASP AAA N   1 ? 3  
ATOM   257  C CA  . ASP A 1 46  ? 15.917  -8.710  35.671 1.000 86.691  ? 364 ASP AAA CA  1 ? 3  
ATOM   258  C C   . ASP A 1 46  ? 15.204  -9.281  34.436 1.000 81.719  ? 364 ASP AAA C   1 ? 3  
ATOM   259  O O   . ASP A 1 46  ? 15.465  -8.780  33.324 1.000 86.707  ? 364 ASP AAA O   1 ? 3  
ATOM   260  C CB  . ASP A 1 46  ? 16.156  -7.201  35.587 1.000 90.659  ? 364 ASP AAA CB  1 ? 3  
ATOM   261  C CG  . ASP A 1 46  ? 14.888  -6.392  35.797 1.000 96.086  ? 364 ASP AAA CG  1 ? 3  
ATOM   262  O OD1 . ASP A 1 46  ? 13.818  -7.009  35.991 1.000 99.003  ? 364 ASP AAA OD1 1 ? 3  
ATOM   263  O OD2 . ASP A 1 46  ? 14.975  -5.154  35.771 1.000 97.934  ? 364 ASP AAA OD2 1 ? 3  
ATOM   264  N N   . TYR A 1 47  ? 14.365  -10.309 34.625 1.000 76.308  ? 365 TYR AAA N   1 ? 3  
ATOM   265  C CA  . TYR A 1 47  ? 13.579  -10.972 33.550 1.000 71.392  ? 365 TYR AAA CA  1 ? 3  
ATOM   266  C C   . TYR A 1 47  ? 12.374  -10.092 33.207 1.000 70.187  ? 365 TYR AAA C   1 ? 3  
ATOM   267  O O   . TYR A 1 47  ? 11.989  -10.013 32.032 1.000 66.373  ? 365 TYR AAA O   1 ? 3  
ATOM   268  C CB  . TYR A 1 47  ? 13.102  -12.361 33.974 1.000 69.307  ? 365 TYR AAA CB  1 ? 3  
ATOM   269  C CG  . TYR A 1 47  ? 14.193  -13.334 34.330 1.000 69.783  ? 365 TYR AAA CG  1 ? 3  
ATOM   270  C CD1 . TYR A 1 47  ? 14.895  -14.018 33.355 1.000 67.481  ? 365 TYR AAA CD1 1 ? 3  
ATOM   271  C CD2 . TYR A 1 47  ? 14.522  -13.580 35.657 1.000 74.816  ? 365 TYR AAA CD2 1 ? 3  
ATOM   272  C CE1 . TYR A 1 47  ? 15.905  -14.913 33.685 1.000 70.050  ? 365 TYR AAA CE1 1 ? 3  
ATOM   273  C CE2 . TYR A 1 47  ? 15.524  -14.472 36.006 1.000 73.661  ? 365 TYR AAA CE2 1 ? 3  
ATOM   274  C CZ  . TYR A 1 47  ? 16.219  -15.144 35.016 1.000 73.309  ? 365 TYR AAA CZ  1 ? 3  
ATOM   275  O OH  . TYR A 1 47  ? 17.211  -16.020 35.355 1.000 73.992  ? 365 TYR AAA OH  1 ? 3  
ATOM   276  N N   . SER A 1 48  ? 11.808  -9.447  34.225 1.000 71.576  ? 366 SER AAA N   1 ? 3  
ATOM   277  C CA  . SER A 1 48  ? 10.637  -8.534  34.151 1.000 74.553  ? 366 SER AAA CA  1 ? 3  
ATOM   278  C C   . SER A 1 48  ? 10.775  -7.518  33.004 1.000 72.615  ? 366 SER AAA C   1 ? 3  
ATOM   279  O O   . SER A 1 48  ? 9.756   -7.245  32.360 1.000 76.739  ? 366 SER AAA O   1 ? 3  
ATOM   280  C CB  . SER A 1 48  ? 10.410  -7.846  35.487 1.000 80.790  ? 366 SER AAA CB  1 ? 3  
ATOM   281  O OG  . SER A 1 48  ? 9.962   -6.506  35.309 1.000 82.431  ? 366 SER AAA OG  1 ? 3  
ATOM   282  N N   . VAL A 1 49  ? 11.959  -6.953  32.758 1.000 74.760  ? 367 VAL AAA N   1 ? 3  
ATOM   283  C CA  . VAL A 1 49  ? 12.163  -5.924  31.687 1.000 74.527  ? 367 VAL AAA CA  1 ? 3  
ATOM   284  C C   . VAL A 1 49  ? 12.065  -6.593  30.308 1.000 68.263  ? 367 VAL AAA C   1 ? 3  
ATOM   285  O O   . VAL A 1 49  ? 11.939  -5.858  29.308 1.000 71.021  ? 367 VAL AAA O   1 ? 3  
ATOM   286  C CB  . VAL A 1 49  ? 13.504  -5.172  31.848 1.000 82.355  ? 367 VAL AAA CB  1 ? 3  
ATOM   287  C CG1 . VAL A 1 49  ? 14.702  -6.032  31.453 1.000 80.727  ? 367 VAL AAA CG1 1 ? 3  
ATOM   288  C CG2 . VAL A 1 49  ? 13.526  -3.861  31.070 1.000 84.392  ? 367 VAL AAA CG2 1 ? 3  
ATOM   289  N N   . LEU A 1 50  ? 12.201  -7.920  30.236 1.000 63.965  ? 368 LEU AAA N   1 ? 3  
ATOM   290  C CA  . LEU A 1 50  ? 12.065  -8.692  28.970 1.000 60.112  ? 368 LEU AAA CA  1 ? 3  
ATOM   291  C C   . LEU A 1 50  ? 10.584  -9.033  28.765 1.000 59.704  ? 368 LEU AAA C   1 ? 3  
ATOM   292  O O   . LEU A 1 50  ? 10.033  -8.743  27.665 1.000 52.232  ? 368 LEU AAA O   1 ? 3  
ATOM   293  C CB  . LEU A 1 50  ? 12.912  -9.964  29.042 1.000 58.903  ? 368 LEU AAA CB  1 ? 3  
ATOM   294  C CG  . LEU A 1 50  ? 14.401  -9.757  29.321 1.000 65.501  ? 368 LEU AAA CG  1 ? 3  
ATOM   295  C CD1 . LEU A 1 50  ? 15.088  -11.075 29.628 1.000 67.405  ? 368 LEU AAA CD1 1 ? 3  
ATOM   296  C CD2 . LEU A 1 50  ? 15.090  -9.085  28.151 1.000 66.058  ? 368 LEU AAA CD2 1 ? 3  
ATOM   297  N N   . TYR A 1 51  ? 9.954   -9.595  29.802 1.000 57.419  ? 369 TYR AAA N   1 ? 3  
ATOM   298  C CA  . TYR A 1 51  ? 8.575   -10.118 29.719 1.000 53.597  ? 369 TYR AAA CA  1 ? 3  
ATOM   299  C C   . TYR A 1 51  ? 7.579   -8.958  29.671 1.000 52.565  ? 369 TYR AAA C   1 ? 3  
ATOM   300  O O   . TYR A 1 51  ? 6.605   -9.057  28.943 1.000 51.731  ? 369 TYR AAA O   1 ? 3  
ATOM   301  C CB  . TYR A 1 51  ? 8.226   -11.039 30.886 1.000 53.898  ? 369 TYR AAA CB  1 ? 3  
ATOM   302  C CG  . TYR A 1 51  ? 6.857   -11.638 30.692 1.000 51.976  ? 369 TYR AAA CG  1 ? 3  
ATOM   303  C CD1 . TYR A 1 51  ? 6.629   -12.471 29.613 1.000 49.494  ? 369 TYR AAA CD1 1 ? 3  
ATOM   304  C CD2 . TYR A 1 51  ? 5.772   -11.285 31.479 1.000 53.113  ? 369 TYR AAA CD2 1 ? 3  
ATOM   305  C CE1 . TYR A 1 51  ? 5.380   -13.003 29.353 1.000 49.464  ? 369 TYR AAA CE1 1 ? 3  
ATOM   306  C CE2 . TYR A 1 51  ? 4.509   -11.815 31.235 1.000 53.670  ? 369 TYR AAA CE2 1 ? 3  
ATOM   307  C CZ  . TYR A 1 51  ? 4.318   -12.684 30.170 1.000 50.717  ? 369 TYR AAA CZ  1 ? 3  
ATOM   308  O OH  . TYR A 1 51  ? 3.112   -13.238 29.866 1.000 52.545  ? 369 TYR AAA OH  1 ? 3  
ATOM   309  N N   . ASN A 1 52  ? 7.810   -7.913  30.460 1.000 55.125  ? 370 ASN AAA N   1 ? 3  
ATOM   310  C CA  . ASN A 1 52  ? 6.906   -6.744  30.591 1.000 56.383  ? 370 ASN AAA CA  1 ? 3  
ATOM   311  C C   . ASN A 1 52  ? 7.276   -5.721  29.514 1.000 53.841  ? 370 ASN AAA C   1 ? 3  
ATOM   312  O O   . ASN A 1 52  ? 7.639   -4.591  29.836 1.000 56.807  ? 370 ASN AAA O   1 ? 3  
ATOM   313  C CB  . ASN A 1 52  ? 6.908   -6.210  32.022 1.000 60.790  ? 370 ASN AAA CB  1 ? 3  
ATOM   314  C CG  . ASN A 1 52  ? 6.297   -7.201  32.989 1.000 65.020  ? 370 ASN AAA CG  1 ? 3  
ATOM   315  O OD1 . ASN A 1 52  ? 6.785   -7.372  34.100 1.000 74.164  ? 370 ASN AAA OD1 1 ? 3  
ATOM   316  N ND2 . ASN A 1 52  ? 5.240   -7.881  32.575 1.000 64.889  ? 370 ASN AAA ND2 1 ? 3  
ATOM   317  N N   . SER A 1 53  ? 7.097   -6.119  28.267 1.000 51.297  ? 371 SER AAA N   1 ? 3  
ATOM   318  C CA  . SER A 1 53  ? 7.446   -5.341  27.063 1.000 52.927  ? 371 SER AAA CA  1 ? 3  
ATOM   319  C C   . SER A 1 53  ? 6.563   -5.819  25.913 1.000 53.181  ? 371 SER AAA C   1 ? 3  
ATOM   320  O O   . SER A 1 53  ? 5.923   -6.877  26.052 1.000 50.990  ? 371 SER AAA O   1 ? 3  
ATOM   321  C CB  . SER A 1 53  ? 8.905   -5.521  26.721 1.000 51.971  ? 371 SER AAA CB  1 ? 3  
ATOM   322  O OG  . SER A 1 53  ? 9.099   -6.669  25.902 1.000 48.064  ? 371 SER AAA OG  1 ? 3  
ATOM   323  N N   . ALA A 1 54  ? 6.632   -5.099  24.800 1.000 52.666  ? 372 ALA AAA N   1 ? 3  
ATOM   324  C CA  . ALA A 1 54  ? 5.898   -5.363  23.549 1.000 50.415  ? 372 ALA AAA CA  1 ? 3  
ATOM   325  C C   . ALA A 1 54  ? 6.893   -5.857  22.500 1.000 48.272  ? 372 ALA AAA C   1 ? 3  
ATOM   326  O O   . ALA A 1 54  ? 6.560   -5.784  21.329 1.000 49.397  ? 372 ALA AAA O   1 ? 3  
ATOM   327  C CB  . ALA A 1 54  ? 5.211   -4.089  23.113 1.000 50.828  ? 372 ALA AAA CB  1 ? 3  
ATOM   328  N N   . SER A 1 55  ? 8.064   -6.345  22.919 1.000 48.549  ? 373 SER AAA N   1 ? 3  
ATOM   329  C CA  . SER A 1 55  ? 9.225   -6.631  22.032 1.000 48.998  ? 373 SER AAA CA  1 ? 3  
ATOM   330  C C   . SER A 1 55  ? 9.135   -8.006  21.367 1.000 48.730  ? 373 SER AAA C   1 ? 3  
ATOM   331  O O   . SER A 1 55  ? 9.741   -8.146  20.281 1.000 49.674  ? 373 SER AAA O   1 ? 3  
ATOM   332  C CB  . SER A 1 55  ? 10.524  -6.536  22.779 1.000 49.573  ? 373 SER AAA CB  1 ? 3  
ATOM   333  O OG  . SER A 1 55  ? 10.632  -5.285  23.427 1.000 51.129  ? 373 SER AAA OG  1 ? 3  
ATOM   334  N N   . PHE A 1 56  ? 8.513   -9.002  22.014 1.000 49.348  ? 374 PHE AAA N   1 ? 3  
ATOM   335  C CA  . PHE A 1 56  ? 8.751   -10.443 21.699 1.000 45.645  ? 374 PHE AAA CA  1 ? 3  
ATOM   336  C C   . PHE A 1 56  ? 7.440   -11.110 21.278 1.000 46.484  ? 374 PHE AAA C   1 ? 3  
ATOM   337  O O   . PHE A 1 56  ? 6.499   -11.134 22.072 1.000 45.534  ? 374 PHE AAA O   1 ? 3  
ATOM   338  C CB  . PHE A 1 56  ? 9.395   -11.133 22.903 1.000 45.774  ? 374 PHE AAA CB  1 ? 3  
ATOM   339  C CG  . PHE A 1 56  ? 10.655  -10.458 23.408 1.000 45.369  ? 374 PHE AAA CG  1 ? 3  
ATOM   340  C CD1 . PHE A 1 56  ? 11.785  -10.369 22.608 1.000 44.080  ? 374 PHE AAA CD1 1 ? 3  
ATOM   341  C CD2 . PHE A 1 56  ? 10.711  -9.899  24.674 1.000 47.608  ? 374 PHE AAA CD2 1 ? 3  
ATOM   342  C CE1 . PHE A 1 56  ? 12.940  -9.760  23.073 1.000 47.098  ? 374 PHE AAA CE1 1 ? 3  
ATOM   343  C CE2 . PHE A 1 56  ? 11.872  -9.290  25.140 1.000 49.664  ? 374 PHE AAA CE2 1 ? 3  
ATOM   344  C CZ  . PHE A 1 56  ? 12.983  -9.219  24.341 1.000 46.763  ? 374 PHE AAA CZ  1 ? 3  
ATOM   345  N N   . SER A 1 57  ? 7.401   -11.623 20.046 1.000 45.669  ? 375 SER AAA N   1 ? 3  
ATOM   346  C CA  . SER A 1 57  ? 6.259   -12.358 19.448 1.000 44.370  ? 375 SER AAA CA  1 ? 3  
ATOM   347  C C   . SER A 1 57  ? 6.203   -13.803 19.994 1.000 46.409  ? 375 SER AAA C   1 ? 3  
ATOM   348  O O   . SER A 1 57  ? 5.086   -14.393 20.054 1.000 48.143  ? 375 SER AAA O   1 ? 3  
ATOM   349  C CB  . SER A 1 57  ? 6.368   -12.325 17.938 1.000 43.869  ? 375 SER AAA CB  1 ? 3  
ATOM   350  O OG  . SER A 1 57  ? 7.667   -12.722 17.506 1.000 41.660  ? 375 SER AAA OG  1 ? 3  
ATOM   351  N N   . THR A 1 58  ? 7.348   -14.362 20.397 1.000 44.116  ? 376 THR AAA N   1 ? 3  
ATOM   352  C CA  . THR A 1 58  ? 7.423   -15.620 21.181 1.000 43.546  ? 376 THR AAA CA  1 ? 3  
ATOM   353  C C   . THR A 1 58  ? 8.092   -15.345 22.527 1.000 45.387  ? 376 THR AAA C   1 ? 3  
ATOM   354  O O   . THR A 1 58  ? 9.209   -14.777 22.531 1.000 45.541  ? 376 THR AAA O   1 ? 3  
ATOM   355  C CB  . THR A 1 58  ? 8.173   -16.721 20.424 1.000 45.181  ? 376 THR AAA CB  1 ? 3  
ATOM   356  O OG1 . THR A 1 58  ? 7.458   -17.020 19.225 1.000 44.046  ? 376 THR AAA OG1 1 ? 3  
ATOM   357  C CG2 . THR A 1 58  ? 8.309   -17.994 21.239 1.000 45.637  ? 376 THR AAA CG2 1 ? 3  
ATOM   358  N N   . PHE A 1 59  ? 7.441   -15.769 23.616 1.000 44.922  ? 377 PHE AAA N   1 ? 3  
ATOM   359  C CA  . PHE A 1 59  ? 7.969   -15.787 25.001 1.000 45.779  ? 377 PHE AAA CA  1 ? 3  
ATOM   360  C C   . PHE A 1 59  ? 7.286   -16.950 25.728 1.000 49.163  ? 377 PHE AAA C   1 ? 3  
ATOM   361  O O   . PHE A 1 59  ? 6.241   -16.735 26.375 1.000 48.339  ? 377 PHE AAA O   1 ? 3  
ATOM   362  C CB  . PHE A 1 59  ? 7.757   -14.438 25.699 1.000 47.414  ? 377 PHE AAA CB  1 ? 3  
ATOM   363  C CG  . PHE A 1 59  ? 8.717   -14.156 26.838 1.000 51.612  ? 377 PHE AAA CG  1 ? 3  
ATOM   364  C CD1 . PHE A 1 59  ? 8.861   -15.044 27.899 1.000 53.565  ? 377 PHE AAA CD1 1 ? 3  
ATOM   365  C CD2 . PHE A 1 59  ? 9.492   -13.002 26.852 1.000 53.703  ? 377 PHE AAA CD2 1 ? 3  
ATOM   366  C CE1 . PHE A 1 59  ? 9.752   -14.791 28.935 1.000 54.683  ? 377 PHE AAA CE1 1 ? 3  
ATOM   367  C CE2 . PHE A 1 59  ? 10.385  -12.752 27.886 1.000 55.212  ? 377 PHE AAA CE2 1 ? 3  
ATOM   368  C CZ  . PHE A 1 59  ? 10.519  -13.650 28.921 1.000 55.712  ? 377 PHE AAA CZ  1 ? 3  
ATOM   369  N N   . LYS A 1 60  ? 7.838   -18.153 25.569 1.000 51.193  ? 378 LYS AAA N   1 ? 3  
ATOM   370  C CA  . LYS A 1 60  ? 7.272   -19.421 26.095 1.000 53.746  ? 378 LYS AAA CA  1 ? 3  
ATOM   371  C C   . LYS A 1 60  ? 8.241   -19.984 27.122 1.000 52.585  ? 378 LYS AAA C   1 ? 3  
ATOM   372  O O   . LYS A 1 60  ? 9.421   -20.228 26.771 1.000 55.688  ? 378 LYS AAA O   1 ? 3  
ATOM   373  C CB  . LYS A 1 60  ? 7.048   -20.441 24.971 1.000 58.161  ? 378 LYS AAA CB  1 ? 3  
ATOM   374  C CG  . LYS A 1 60  ? 5.984   -20.022 23.971 1.000 65.149  ? 378 LYS AAA CG  1 ? 3  
ATOM   375  C CD  . LYS A 1 60  ? 5.808   -20.933 22.768 1.000 72.075  ? 378 LYS AAA CD  1 ? 3  
ATOM   376  C CE  . LYS A 1 60  ? 4.756   -20.392 21.815 1.000 76.821  ? 378 LYS AAA CE  1 ? 3  
ATOM   377  N NZ  . LYS A 1 60  ? 4.283   -21.428 20.869 1.000 86.872  ? 378 LYS AAA NZ  1 ? 3  
ATOM   378  N N   . CYS A 1 61  ? 7.741   -20.223 28.322 1.000 52.540  ? 379 CYS AAA N   1 ? 3  
ATOM   379  C CA  . CYS A 1 61  ? 8.493   -20.840 29.437 1.000 56.185  ? 379 CYS AAA CA  1 ? 3  
ATOM   380  C C   . CYS A 1 61  ? 7.977   -22.258 29.696 1.000 54.672  ? 379 CYS AAA C   1 ? 3  
ATOM   381  O O   . CYS A 1 61  ? 6.785   -22.519 29.494 1.000 54.597  ? 379 CYS AAA O   1 ? 3  
ATOM   382  C CB  . CYS A 1 61  ? 8.401   -19.954 30.670 1.000 58.015  ? 379 CYS AAA CB  1 ? 3  
ATOM   383  S SG  . CYS A 1 61  ? 9.086   -18.306 30.364 1.000 56.200  ? 379 CYS AAA SG  1 ? 3  
ATOM   384  N N   . TYR A 1 62  ? 8.875   -23.150 30.093 1.000 54.101  ? 380 TYR AAA N   1 ? 3  
ATOM   385  C CA  . TYR A 1 62  ? 8.577   -24.569 30.383 1.000 56.016  ? 380 TYR AAA CA  1 ? 3  
ATOM   386  C C   . TYR A 1 62  ? 9.108   -24.861 31.782 1.000 60.623  ? 380 TYR AAA C   1 ? 3  
ATOM   387  O O   . TYR A 1 62  ? 10.307  -24.585 32.052 1.000 58.077  ? 380 TYR AAA O   1 ? 3  
ATOM   388  C CB  . TYR A 1 62  ? 9.191   -25.475 29.311 1.000 57.256  ? 380 TYR AAA CB  1 ? 3  
ATOM   389  C CG  . TYR A 1 62  ? 8.770   -25.122 27.906 1.000 57.541  ? 380 TYR AAA CG  1 ? 3  
ATOM   390  C CD1 . TYR A 1 62  ? 9.388   -24.086 27.216 1.000 54.286  ? 380 TYR AAA CD1 1 ? 3  
ATOM   391  C CD2 . TYR A 1 62  ? 7.726   -25.792 27.284 1.000 56.808  ? 380 TYR AAA CD2 1 ? 3  
ATOM   392  C CE1 . TYR A 1 62  ? 8.978   -23.725 25.944 1.000 55.225  ? 380 TYR AAA CE1 1 ? 3  
ATOM   393  C CE2 . TYR A 1 62  ? 7.311   -25.448 26.009 1.000 56.707  ? 380 TYR AAA CE2 1 ? 3  
ATOM   394  C CZ  . TYR A 1 62  ? 7.939   -24.411 25.337 1.000 55.009  ? 380 TYR AAA CZ  1 ? 3  
ATOM   395  O OH  . TYR A 1 62  ? 7.542   -24.067 24.083 1.000 54.116  ? 380 TYR AAA OH  1 ? 3  
ATOM   396  N N   . GLY A 1 63  ? 8.245   -25.397 32.642 1.000 62.820  ? 381 GLY AAA N   1 ? 3  
ATOM   397  C CA  . GLY A 1 63  ? 8.635   -25.826 33.997 1.000 67.581  ? 381 GLY AAA CA  1 ? 3  
ATOM   398  C C   . GLY A 1 63  ? 8.718   -24.643 34.942 1.000 69.425  ? 381 GLY AAA C   1 ? 3  
ATOM   399  O O   . GLY A 1 63  ? 9.113   -24.855 36.084 1.000 76.934  ? 381 GLY AAA O   1 ? 3  
ATOM   400  N N   . VAL A 1 64  ? 8.303   -23.453 34.491 1.000 70.554  ? 382 VAL AAA N   1 ? 3  
ATOM   401  C CA  . VAL A 1 64  ? 8.454   -22.161 35.220 1.000 70.006  ? 382 VAL AAA CA  1 ? 3  
ATOM   402  C C   . VAL A 1 64  ? 7.467   -21.151 34.622 1.000 70.317  ? 382 VAL AAA C   1 ? 3  
ATOM   403  O O   . VAL A 1 64  ? 7.063   -21.321 33.455 1.000 69.749  ? 382 VAL AAA O   1 ? 3  
ATOM   404  C CB  . VAL A 1 64  ? 9.912   -21.680 35.107 1.000 71.573  ? 382 VAL AAA CB  1 ? 3  
ATOM   405  C CG1 . VAL A 1 64  ? 10.149  -20.859 33.843 1.000 68.015  ? 382 VAL AAA CG1 1 ? 3  
ATOM   406  C CG2 . VAL A 1 64  ? 10.353  -20.907 36.324 1.000 75.277  ? 382 VAL AAA CG2 1 ? 3  
ATOM   407  N N   . SER A 1 65  ? 7.105   -20.116 35.377 1.000 75.295  ? 383 SER AAA N   1 ? 3  
ATOM   408  C CA  . SER A 1 65  ? 6.105   -19.098 34.970 1.000 72.013  ? 383 SER AAA CA  1 ? 3  
ATOM   409  C C   . SER A 1 65  ? 6.778   -17.755 34.718 1.000 71.035  ? 383 SER AAA C   1 ? 3  
ATOM   410  O O   . SER A 1 65  ? 7.540   -17.287 35.554 1.000 73.045  ? 383 SER AAA O   1 ? 3  
ATOM   411  C CB  . SER A 1 65  ? 5.045   -18.947 35.999 1.000 76.068  ? 383 SER AAA CB  1 ? 3  
ATOM   412  O OG  . SER A 1 65  ? 4.085   -18.008 35.543 1.000 80.468  ? 383 SER AAA OG  1 ? 3  
ATOM   413  N N   . PRO A 1 66  ? 6.440   -17.059 33.609 1.000 66.886  ? 384 PRO AAA N   1 ? 3  
ATOM   414  C CA  . PRO A 1 66  ? 7.146   -15.834 33.215 1.000 68.918  ? 384 PRO AAA CA  1 ? 3  
ATOM   415  C C   . PRO A 1 66  ? 6.929   -14.634 34.150 1.000 71.998  ? 384 PRO AAA C   1 ? 3  
ATOM   416  O O   . PRO A 1 66  ? 7.816   -13.804 34.254 1.000 74.126  ? 384 PRO AAA O   1 ? 3  
ATOM   417  C CB  . PRO A 1 66  ? 6.586   -15.529 31.813 1.000 64.670  ? 384 PRO AAA CB  1 ? 3  
ATOM   418  C CG  . PRO A 1 66  ? 5.215   -16.192 31.811 1.000 64.375  ? 384 PRO AAA CG  1 ? 3  
ATOM   419  C CD  . PRO A 1 66  ? 5.363   -17.425 32.675 1.000 64.813  ? 384 PRO AAA CD  1 ? 3  
ATOM   420  N N   . THR A 1 67  ? 5.766   -14.563 34.797 1.000 74.383  ? 385 THR AAA N   1 ? 3  
ATOM   421  C CA  . THR A 1 67  ? 5.430   -13.526 35.810 1.000 81.954  ? 385 THR AAA CA  1 ? 3  
ATOM   422  C C   . THR A 1 67  ? 6.273   -13.735 37.078 1.000 84.435  ? 385 THR AAA C   1 ? 3  
ATOM   423  O O   . THR A 1 67  ? 6.511   -12.742 37.783 1.000 82.854  ? 385 THR AAA O   1 ? 3  
ATOM   424  C CB  . THR A 1 67  ? 3.930   -13.532 36.148 1.000 82.327  ? 385 THR AAA CB  1 ? 3  
ATOM   425  O OG1 . THR A 1 67  ? 3.581   -14.865 36.508 1.000 89.591  ? 385 THR AAA OG1 1 ? 3  
ATOM   426  C CG2 . THR A 1 67  ? 3.042   -13.104 35.001 1.000 83.083  ? 385 THR AAA CG2 1 ? 3  
ATOM   427  N N   . LYS A 1 68  ? 6.708   -14.968 37.358 1.000 85.492  ? 386 LYS AAA N   1 ? 3  
ATOM   428  C CA  . LYS A 1 68  ? 7.348   -15.336 38.650 1.000 91.944  ? 386 LYS AAA CA  1 ? 3  
ATOM   429  C C   . LYS A 1 68  ? 8.877   -15.345 38.525 1.000 84.535  ? 386 LYS AAA C   1 ? 3  
ATOM   430  O O   . LYS A 1 68  ? 9.536   -15.557 39.551 1.000 88.252  ? 386 LYS AAA O   1 ? 3  
ATOM   431  C CB  . LYS A 1 68  ? 6.831   -16.695 39.138 1.000 99.901  ? 386 LYS AAA CB  1 ? 3  
ATOM   432  C CG  . LYS A 1 68  ? 5.379   -16.697 39.599 1.000 110.311 ? 386 LYS AAA CG  1 ? 3  
ATOM   433  C CD  . LYS A 1 68  ? 4.987   -17.922 40.413 1.000 118.620 ? 386 LYS AAA CD  1 ? 3  
ATOM   434  C CE  . LYS A 1 68  ? 3.485   -18.085 40.559 1.000 123.804 ? 386 LYS AAA CE  1 ? 3  
ATOM   435  N NZ  . LYS A 1 68  ? 2.846   -18.510 39.288 1.000 127.063 ? 386 LYS AAA NZ  1 ? 3  
ATOM   436  N N   . LEU A 1 69  ? 9.436   -15.084 37.344 1.000 80.659  ? 387 LEU AAA N   1 ? 3  
ATOM   437  C CA  . LEU A 1 69  ? 10.877  -15.333 37.058 1.000 77.148  ? 387 LEU AAA CA  1 ? 3  
ATOM   438  C C   . LEU A 1 69  ? 11.781  -14.534 38.002 1.000 80.069  ? 387 LEU AAA C   1 ? 3  
ATOM   439  O O   . LEU A 1 69  ? 12.861  -15.055 38.341 1.000 82.632  ? 387 LEU AAA O   1 ? 3  
ATOM   440  C CB  . LEU A 1 69  ? 11.166  -14.988 35.601 1.000 74.050  ? 387 LEU AAA CB  1 ? 3  
ATOM   441  C CG  . LEU A 1 69  ? 10.728  -16.048 34.594 1.000 73.609  ? 387 LEU AAA CG  1 ? 3  
ATOM   442  C CD1 . LEU A 1 69  ? 10.769  -15.495 33.179 1.000 73.018  ? 387 LEU AAA CD1 1 ? 3  
ATOM   443  C CD2 . LEU A 1 69  ? 11.593  -17.292 34.704 1.000 74.848  ? 387 LEU AAA CD2 1 ? 3  
ATOM   444  N N   . ASN A 1 70  ? 11.351  -13.346 38.441 1.000 84.281  ? 388 ASN AAA N   1 ? 3  
ATOM   445  C CA  . ASN A 1 70  ? 12.135  -12.454 39.341 1.000 87.551  ? 388 ASN AAA CA  1 ? 3  
ATOM   446  C C   . ASN A 1 70  ? 12.066  -12.954 40.789 1.000 94.103  ? 388 ASN AAA C   1 ? 3  
ATOM   447  O O   . ASN A 1 70  ? 12.707  -12.327 41.654 1.000 98.244  ? 388 ASN AAA O   1 ? 3  
ATOM   448  C CB  . ASN A 1 70  ? 11.680  -10.995 39.248 1.000 87.307  ? 388 ASN AAA CB  1 ? 3  
ATOM   449  C CG  . ASN A 1 70  ? 12.241  -10.278 38.037 1.000 86.631  ? 388 ASN AAA CG  1 ? 3  
ATOM   450  O OD1 . ASN A 1 70  ? 12.840  -10.894 37.159 1.000 82.133  ? 388 ASN AAA OD1 1 ? 3  
ATOM   451  N ND2 . ASN A 1 70  ? 12.061  -8.970  37.981 1.000 90.691  ? 388 ASN AAA ND2 1 ? 3  
ATOM   452  N N   . ASP A 1 71  ? 11.316  -14.026 41.056 1.000 94.917  ? 389 ASP AAA N   1 ? 3  
ATOM   453  C CA  . ASP A 1 71  ? 11.186  -14.612 42.417 1.000 101.209 ? 389 ASP AAA CA  1 ? 3  
ATOM   454  C C   . ASP A 1 71  ? 12.105  -15.830 42.528 1.000 96.909  ? 389 ASP AAA C   1 ? 3  
ATOM   455  O O   . ASP A 1 71  ? 12.105  -16.458 43.583 1.000 100.952 ? 389 ASP AAA O   1 ? 3  
ATOM   456  C CB  . ASP A 1 71  ? 9.742   -15.025 42.728 1.000 104.433 ? 389 ASP AAA CB  1 ? 3  
ATOM   457  C CG  . ASP A 1 71  ? 8.745   -13.880 42.703 1.000 106.345 ? 389 ASP AAA CG  1 ? 3  
ATOM   458  O OD1 . ASP A 1 71  ? 8.949   -12.920 43.469 1.000 113.056 ? 389 ASP AAA OD1 1 ? 3  
ATOM   459  O OD2 . ASP A 1 71  ? 7.771   -13.959 41.920 1.000 103.005 ? 389 ASP AAA OD2 1 ? 3  
ATOM   460  N N   . LEU A 1 72  ? 12.838  -16.163 41.467 1.000 92.886  ? 390 LEU AAA N   1 ? 3  
ATOM   461  C CA  . LEU A 1 72  ? 13.474  -17.497 41.331 1.000 92.508  ? 390 LEU AAA CA  1 ? 3  
ATOM   462  C C   . LEU A 1 72  ? 15.001  -17.388 41.352 1.000 92.193  ? 390 LEU AAA C   1 ? 3  
ATOM   463  O O   . LEU A 1 72  ? 15.579  -16.323 40.964 1.000 87.791  ? 390 LEU AAA O   1 ? 3  
ATOM   464  C CB  . LEU A 1 72  ? 12.999  -18.159 40.038 1.000 89.131  ? 390 LEU AAA CB  1 ? 3  
ATOM   465  C CG  . LEU A 1 72  ? 11.531  -18.582 40.033 1.000 91.980  ? 390 LEU AAA CG  1 ? 3  
ATOM   466  C CD1 . LEU A 1 72  ? 11.117  -19.065 38.658 1.000 87.792  ? 390 LEU AAA CD1 1 ? 3  
ATOM   467  C CD2 . LEU A 1 72  ? 11.253  -19.661 41.072 1.000 97.848  ? 390 LEU AAA CD2 1 ? 3  
ATOM   468  N N   . CYS A 1 73  ? 15.606  -18.478 41.839 1.000 95.010  ? 391 CYS AAA N   1 ? 3  
ATOM   469  C CA  . CYS A 1 73  ? 17.058  -18.631 42.029 1.000 99.858  ? 391 CYS AAA CA  1 ? 3  
ATOM   470  C C   . CYS A 1 73  ? 17.495  -19.893 41.293 1.000 95.586  ? 391 CYS AAA C   1 ? 3  
ATOM   471  O O   . CYS A 1 73  ? 16.787  -20.916 41.396 1.000 92.799  ? 391 CYS AAA O   1 ? 3  
ATOM   472  C CB  . CYS A 1 73  ? 17.401  -18.689 43.511 1.000 113.871 ? 391 CYS AAA CB  1 ? 3  
ATOM   473  S SG  . CYS A 1 73  ? 18.782  -17.590 43.899 1.000 122.672 ? 391 CYS AAA SG  1 ? 3  
ATOM   474  N N   . PHE A 1 74  ? 18.585  -19.795 40.532 1.000 95.590  ? 392 PHE AAA N   1 ? 3  
ATOM   475  C CA  . PHE A 1 74  ? 19.122  -20.898 39.698 1.000 90.548  ? 392 PHE AAA CA  1 ? 3  
ATOM   476  C C   . PHE A 1 74  ? 20.614  -21.048 39.966 1.000 90.308  ? 392 PHE AAA C   1 ? 3  
ATOM   477  O O   . PHE A 1 74  ? 21.288  -20.041 40.326 1.000 85.294  ? 392 PHE AAA O   1 ? 3  
ATOM   478  C CB  . PHE A 1 74  ? 18.789  -20.656 38.231 1.000 86.105  ? 392 PHE AAA CB  1 ? 3  
ATOM   479  C CG  . PHE A 1 74  ? 17.306  -20.592 37.996 1.000 84.666  ? 392 PHE AAA CG  1 ? 3  
ATOM   480  C CD1 . PHE A 1 74  ? 16.522  -21.728 38.156 1.000 85.916  ? 392 PHE AAA CD1 1 ? 3  
ATOM   481  C CD2 . PHE A 1 74  ? 16.693  -19.393 37.677 1.000 86.999  ? 392 PHE AAA CD2 1 ? 3  
ATOM   482  C CE1 . PHE A 1 74  ? 15.149  -21.675 37.968 1.000 85.742  ? 392 PHE AAA CE1 1 ? 3  
ATOM   483  C CE2 . PHE A 1 74  ? 15.322  -19.343 37.477 1.000 89.832  ? 392 PHE AAA CE2 1 ? 3  
ATOM   484  C CZ  . PHE A 1 74  ? 14.554  -20.481 37.631 1.000 87.942  ? 392 PHE AAA CZ  1 ? 3  
ATOM   485  N N   . THR A 1 75  ? 21.071  -22.298 39.838 1.000 92.609  ? 393 THR AAA N   1 ? 3  
ATOM   486  C CA  . THR A 1 75  ? 22.499  -22.695 39.909 1.000 93.839  ? 393 THR AAA CA  1 ? 3  
ATOM   487  C C   . THR A 1 75  ? 23.236  -21.902 38.828 1.000 89.638  ? 393 THR AAA C   1 ? 3  
ATOM   488  O O   . THR A 1 75  ? 24.231  -21.244 39.167 1.000 91.177  ? 393 THR AAA O   1 ? 3  
ATOM   489  C CB  . THR A 1 75  ? 22.662  -24.211 39.743 1.000 95.866  ? 393 THR AAA CB  1 ? 3  
ATOM   490  O OG1 . THR A 1 75  ? 21.828  -24.869 40.700 1.000 94.194  ? 393 THR AAA OG1 1 ? 3  
ATOM   491  C CG2 . THR A 1 75  ? 24.101  -24.659 39.889 1.000 102.317 ? 393 THR AAA CG2 1 ? 3  
ATOM   492  N N   . ASN A 1 76  ? 22.728  -21.945 37.592 1.000 83.296  ? 394 ASN AAA N   1 ? 3  
ATOM   493  C CA  . ASN A 1 76  ? 23.326  -21.235 36.430 1.000 84.310  ? 394 ASN AAA CA  1 ? 3  
ATOM   494  C C   . ASN A 1 76  ? 22.237  -21.004 35.364 1.000 79.918  ? 394 ASN AAA C   1 ? 3  
ATOM   495  O O   . ASN A 1 76  ? 21.132  -21.577 35.488 1.000 78.045  ? 394 ASN AAA O   1 ? 3  
ATOM   496  C CB  . ASN A 1 76  ? 24.623  -21.922 35.956 1.000 86.047  ? 394 ASN AAA CB  1 ? 3  
ATOM   497  C CG  . ASN A 1 76  ? 24.485  -23.316 35.352 1.000 88.587  ? 394 ASN AAA CG  1 ? 3  
ATOM   498  O OD1 . ASN A 1 76  ? 24.075  -24.284 36.011 1.000 80.504  ? 394 ASN AAA OD1 1 ? 3  
ATOM   499  N ND2 . ASN A 1 76  ? 24.908  -23.445 34.099 1.000 81.063  ? 394 ASN AAA ND2 1 ? 3  
ATOM   500  N N   . VAL A 1 77  ? 22.509  -20.111 34.414 1.000 76.899  ? 395 VAL AAA N   1 ? 3  
ATOM   501  C CA  . VAL A 1 77  ? 21.627  -19.812 33.249 1.000 75.319  ? 395 VAL AAA CA  1 ? 3  
ATOM   502  C C   . VAL A 1 77  ? 22.464  -19.825 31.974 1.000 73.824  ? 395 VAL AAA C   1 ? 3  
ATOM   503  O O   . VAL A 1 77  ? 23.349  -18.953 31.869 1.000 72.201  ? 395 VAL AAA O   1 ? 3  
ATOM   504  C CB  . VAL A 1 77  ? 20.944  -18.446 33.401 1.000 77.288  ? 395 VAL AAA CB  1 ? 3  
ATOM   505  C CG1 . VAL A 1 77  ? 20.197  -18.068 32.133 1.000 74.034  ? 395 VAL AAA CG1 1 ? 3  
ATOM   506  C CG2 . VAL A 1 77  ? 20.037  -18.395 34.621 1.000 79.797  ? 395 VAL AAA CG2 1 ? 3  
ATOM   507  N N   . TYR A 1 78  ? 22.189  -20.765 31.062 1.000 73.078  ? 396 TYR AAA N   1 ? 3  
ATOM   508  C CA  . TYR A 1 78  ? 22.696  -20.752 29.665 1.000 68.639  ? 396 TYR AAA CA  1 ? 3  
ATOM   509  C C   . TYR A 1 78  ? 21.749  -19.905 28.806 1.000 62.997  ? 396 TYR AAA C   1 ? 3  
ATOM   510  O O   . TYR A 1 78  ? 20.521  -20.113 28.875 1.000 59.991  ? 396 TYR AAA O   1 ? 3  
ATOM   511  C CB  . TYR A 1 78  ? 22.798  -22.157 29.055 1.000 73.370  ? 396 TYR AAA CB  1 ? 3  
ATOM   512  C CG  . TYR A 1 78  ? 23.567  -23.218 29.813 1.000 79.064  ? 396 TYR AAA CG  1 ? 3  
ATOM   513  C CD1 . TYR A 1 78  ? 24.914  -23.081 30.119 1.000 80.604  ? 396 TYR AAA CD1 1 ? 3  
ATOM   514  C CD2 . TYR A 1 78  ? 22.953  -24.421 30.150 1.000 84.536  ? 396 TYR AAA CD2 1 ? 3  
ATOM   515  C CE1 . TYR A 1 78  ? 25.612  -24.092 30.771 1.000 87.203  ? 396 TYR AAA CE1 1 ? 3  
ATOM   516  C CE2 . TYR A 1 78  ? 23.632  -25.438 30.803 1.000 83.091  ? 396 TYR AAA CE2 1 ? 3  
ATOM   517  C CZ  . TYR A 1 78  ? 24.968  -25.274 31.122 1.000 89.960  ? 396 TYR AAA CZ  1 ? 3  
ATOM   518  O OH  . TYR A 1 78  ? 25.615  -26.285 31.784 1.000 94.511  ? 396 TYR AAA OH  1 ? 3  
ATOM   519  N N   . ALA A 1 79  ? 22.303  -18.998 27.997 1.000 51.096  ? 397 ALA AAA N   1 ? 4  
ATOM   520  C CA  . ALA A 1 79  ? 21.564  -18.209 26.984 1.000 48.092  ? 397 ALA AAA CA  1 ? 4  
ATOM   521  C C   . ALA A 1 79  ? 22.062  -18.579 25.581 1.000 46.864  ? 397 ALA AAA C   1 ? 4  
ATOM   522  O O   . ALA A 1 79  ? 23.125  -18.110 25.180 1.000 48.739  ? 397 ALA AAA O   1 ? 4  
ATOM   523  C CB  . ALA A 1 79  ? 21.696  -16.731 27.236 1.000 49.002  ? 397 ALA AAA CB  1 ? 4  
ATOM   524  N N   . ASP A 1 80  ? 21.290  -19.389 24.864 1.000 43.865  ? 398 ASP AAA N   1 ? 4  
ATOM   525  C CA  . ASP A 1 80  ? 21.599  -19.823 23.485 1.000 43.578  ? 398 ASP AAA CA  1 ? 4  
ATOM   526  C C   . ASP A 1 80  ? 20.932  -18.828 22.531 1.000 43.831  ? 398 ASP AAA C   1 ? 4  
ATOM   527  O O   . ASP A 1 80  ? 19.813  -18.388 22.821 1.000 43.429  ? 398 ASP AAA O   1 ? 4  
ATOM   528  C CB  . ASP A 1 80  ? 21.145  -21.265 23.272 1.000 42.426  ? 398 ASP AAA CB  1 ? 4  
ATOM   529  C CG  . ASP A 1 80  ? 21.791  -22.268 24.218 1.000 44.931  ? 398 ASP AAA CG  1 ? 4  
ATOM   530  O OD1 . ASP A 1 80  ? 22.958  -22.020 24.644 1.000 44.623  ? 398 ASP AAA OD1 1 ? 4  
ATOM   531  O OD2 . ASP A 1 80  ? 21.115  -23.303 24.525 1.000 41.537  ? 398 ASP AAA OD2 1 ? 4  
ATOM   532  N N   . SER A 1 81  ? 21.586  -18.457 21.436 1.000 42.059  ? 399 SER AAA N   1 ? 4  
ATOM   533  C CA  . SER A 1 81  ? 21.007  -17.468 20.498 1.000 44.644  ? 399 SER AAA CA  1 ? 4  
ATOM   534  C C   . SER A 1 81  ? 21.442  -17.748 19.063 1.000 41.764  ? 399 SER AAA C   1 ? 4  
ATOM   535  O O   . SER A 1 81  ? 22.538  -18.290 18.842 1.000 45.706  ? 399 SER AAA O   1 ? 4  
ATOM   536  C CB  . SER A 1 81  ? 21.272  -16.038 20.935 1.000 42.525  ? 399 SER AAA CB  1 ? 4  
ATOM   537  O OG  . SER A 1 81  ? 22.647  -15.708 20.884 1.000 45.604  ? 399 SER AAA OG  1 ? 4  
ATOM   538  N N   . PHE A 1 82  ? 20.568  -17.390 18.131 1.000 40.742  ? 400 PHE AAA N   1 ? 4  
ATOM   539  C CA  . PHE A 1 82  ? 20.687  -17.733 16.695 1.000 41.724  ? 400 PHE AAA CA  1 ? 4  
ATOM   540  C C   . PHE A 1 82  ? 19.543  -17.086 15.925 1.000 40.729  ? 400 PHE AAA C   1 ? 4  
ATOM   541  O O   . PHE A 1 82  ? 18.578  -16.562 16.530 1.000 42.754  ? 400 PHE AAA O   1 ? 4  
ATOM   542  C CB  . PHE A 1 82  ? 20.717  -19.253 16.500 1.000 38.670  ? 400 PHE AAA CB  1 ? 4  
ATOM   543  C CG  . PHE A 1 82  ? 19.583  -20.002 17.145 1.000 38.660  ? 400 PHE AAA CG  1 ? 4  
ATOM   544  C CD1 . PHE A 1 82  ? 18.333  -20.055 16.543 1.000 37.649  ? 400 PHE AAA CD1 1 ? 4  
ATOM   545  C CD2 . PHE A 1 82  ? 19.768  -20.661 18.353 1.000 41.520  ? 400 PHE AAA CD2 1 ? 4  
ATOM   546  C CE1 . PHE A 1 82  ? 17.286  -20.722 17.157 1.000 39.529  ? 400 PHE AAA CE1 1 ? 4  
ATOM   547  C CE2 . PHE A 1 82  ? 18.721  -21.347 18.954 1.000 40.342  ? 400 PHE AAA CE2 1 ? 4  
ATOM   548  C CZ  . PHE A 1 82  ? 17.482  -21.381 18.353 1.000 40.832  ? 400 PHE AAA CZ  1 ? 4  
ATOM   549  N N   . VAL A 1 83  ? 19.632  -17.184 14.602 1.000 43.044  ? 401 VAL AAA N   1 ? 4  
ATOM   550  C CA  . VAL A 1 83  ? 18.587  -16.682 13.674 1.000 37.034  ? 401 VAL AAA CA  1 ? 4  
ATOM   551  C C   . VAL A 1 83  ? 17.998  -17.878 12.925 1.000 36.525  ? 401 VAL AAA C   1 ? 4  
ATOM   552  O O   . VAL A 1 83  ? 18.753  -18.751 12.477 1.000 37.788  ? 401 VAL AAA O   1 ? 4  
ATOM   553  C CB  . VAL A 1 83  ? 19.200  -15.617 12.745 1.000 43.257  ? 401 VAL AAA CB  1 ? 4  
ATOM   554  C CG1 . VAL A 1 83  ? 18.370  -15.347 11.504 1.000 42.289  ? 401 VAL AAA CG1 1 ? 4  
ATOM   555  C CG2 . VAL A 1 83  ? 19.452  -14.328 13.512 1.000 46.859  ? 401 VAL AAA CG2 1 ? 4  
ATOM   556  N N   . ILE A 1 84  ? 16.678  -17.883 12.764 1.000 39.542  ? 402 ILE AAA N   1 ? 4  
ATOM   557  C CA  . ILE A 1 84  ? 15.941  -18.818 11.875 1.000 37.274  ? 402 ILE AAA CA  1 ? 4  
ATOM   558  C C   . ILE A 1 84  ? 14.812  -18.056 11.174 1.000 39.264  ? 402 ILE AAA C   1 ? 4  
ATOM   559  O O   . ILE A 1 84  ? 14.667  -16.840 11.400 1.000 37.294  ? 402 ILE AAA O   1 ? 4  
ATOM   560  C CB  . ILE A 1 84  ? 15.431  -19.999 12.718 1.000 42.904  ? 402 ILE AAA CB  1 ? 4  
ATOM   561  C CG1 . ILE A 1 84  ? 14.543  -19.528 13.873 1.000 39.123  ? 402 ILE AAA CG1 1 ? 4  
ATOM   562  C CG2 . ILE A 1 84  ? 16.593  -20.845 13.218 1.000 38.679  ? 402 ILE AAA CG2 1 ? 4  
ATOM   563  C CD1 . ILE A 1 84  ? 13.883  -20.651 14.605 1.000 40.227  ? 402 ILE AAA CD1 1 ? 4  
ATOM   564  N N   . ARG A 1 85  ? 14.079  -18.744 10.308 1.000 43.363  ? 403 ARG AAA N   1 ? 4  
ATOM   565  C CA  . ARG A 1 85  ? 12.856  -18.245 9.626  1.000 47.553  ? 403 ARG AAA CA  1 ? 4  
ATOM   566  C C   . ARG A 1 85  ? 11.726  -18.150 10.660 1.000 44.641  ? 403 ARG AAA C   1 ? 4  
ATOM   567  O O   . ARG A 1 85  ? 11.671  -19.028 11.531 1.000 46.094  ? 403 ARG AAA O   1 ? 4  
ATOM   568  C CB  . ARG A 1 85  ? 12.392  -19.247 8.563  1.000 49.741  ? 403 ARG AAA CB  1 ? 4  
ATOM   569  C CG  . ARG A 1 85  ? 13.024  -19.098 7.199  1.000 60.745  ? 403 ARG AAA CG  1 ? 4  
ATOM   570  C CD  . ARG A 1 85  ? 12.750  -20.319 6.333  1.000 63.719  ? 403 ARG AAA CD  1 ? 4  
ATOM   571  N NE  . ARG A 1 85  ? 11.334  -20.535 6.094  1.000 71.133  ? 403 ARG AAA NE  1 ? 4  
ATOM   572  C CZ  . ARG A 1 85  ? 10.763  -21.726 5.907  1.000 75.805  ? 403 ARG AAA CZ  1 ? 4  
ATOM   573  N NH1 . ARG A 1 85  ? 9.462   -21.800 5.698  1.000 78.758  ? 403 ARG AAA NH1 1 ? 4  
ATOM   574  N NH2 . ARG A 1 85  ? 11.477  -22.839 5.953  1.000 79.928  ? 403 ARG AAA NH2 1 ? 4  
ATOM   575  N N   . GLY A 1 86  ? 10.820  -17.186 10.510 1.000 49.027  ? 404 GLY AAA N   1 ? 4  
ATOM   576  C CA  . GLY A 1 86  ? 9.547   -17.101 11.260 1.000 52.792  ? 404 GLY AAA CA  1 ? 4  
ATOM   577  C C   . GLY A 1 86  ? 8.850   -18.452 11.422 1.000 49.535  ? 404 GLY AAA C   1 ? 4  
ATOM   578  O O   . GLY A 1 86  ? 8.475   -18.765 12.559 1.000 49.506  ? 404 GLY AAA O   1 ? 4  
ATOM   579  N N   . ASP A 1 87  ? 8.683   -19.213 10.330 1.000 51.077  ? 405 ASP AAA N   1 ? 4  
ATOM   580  C CA  . ASP A 1 87  ? 7.975   -20.525 10.261 1.000 54.052  ? 405 ASP AAA CA  1 ? 4  
ATOM   581  C C   . ASP A 1 87  ? 8.643   -21.582 11.153 1.000 48.302  ? 405 ASP AAA C   1 ? 4  
ATOM   582  O O   . ASP A 1 87  ? 8.020   -22.613 11.387 1.000 46.722  ? 405 ASP AAA O   1 ? 4  
ATOM   583  C CB  . ASP A 1 87  ? 7.991   -21.125 8.850  1.000 58.982  ? 405 ASP AAA CB  1 ? 4  
ATOM   584  C CG  . ASP A 1 87  ? 6.943   -20.576 7.919  1.000 68.796  ? 405 ASP AAA CG  1 ? 4  
ATOM   585  O OD1 . ASP A 1 87  ? 6.093   -19.824 8.401  1.000 80.934  ? 405 ASP AAA OD1 1 ? 4  
ATOM   586  O OD2 . ASP A 1 87  ? 6.990   -20.906 6.709  1.000 83.875  ? 405 ASP AAA OD2 1 ? 4  
ATOM   587  N N   . GLU A 1 88  ? 9.898   -21.379 11.545 1.000 47.033  ? 406 GLU AAA N   1 ? 4  
ATOM   588  C CA  . GLU A 1 88  ? 10.721  -22.395 12.243 1.000 44.577  ? 406 GLU AAA CA  1 ? 4  
ATOM   589  C C   . GLU A 1 88  ? 10.712  -22.140 13.743 1.000 40.603  ? 406 GLU AAA C   1 ? 4  
ATOM   590  O O   . GLU A 1 88  ? 11.155  -23.031 14.486 1.000 42.637  ? 406 GLU AAA O   1 ? 4  
ATOM   591  C CB  . GLU A 1 88  ? 12.133  -22.385 11.665 1.000 43.060  ? 406 GLU AAA CB  1 ? 4  
ATOM   592  C CG  . GLU A 1 88  ? 12.143  -22.819 10.205 1.000 44.723  ? 406 GLU AAA CG  1 ? 4  
ATOM   593  C CD  . GLU A 1 88  ? 13.509  -22.809 9.546  1.000 44.521  ? 406 GLU AAA CD  1 ? 4  
ATOM   594  O OE1 . GLU A 1 88  ? 14.335  -21.918 9.875  1.000 43.199  ? 406 GLU AAA OE1 1 ? 4  
ATOM   595  O OE2 . GLU A 1 88  ? 13.749  -23.692 8.715  1.000 46.899  ? 406 GLU AAA OE2 1 ? 4  
ATOM   596  N N   . VAL A 1 89  ? 10.218  -20.990 14.194 1.000 42.073  ? 407 VAL AAA N   1 ? 4  
ATOM   597  C CA  . VAL A 1 89  ? 10.289  -20.628 15.641 1.000 42.759  ? 407 VAL AAA CA  1 ? 4  
ATOM   598  C C   . VAL A 1 89  ? 9.565   -21.706 16.465 1.000 41.320  ? 407 VAL AAA C   1 ? 4  
ATOM   599  O O   . VAL A 1 89  ? 10.070  -22.062 17.542 1.000 42.034  ? 407 VAL AAA O   1 ? 4  
ATOM   600  C CB  . VAL A 1 89  ? 9.747   -19.214 15.908 1.000 43.876  ? 407 VAL AAA CB  1 ? 4  
ATOM   601  C CG1 . VAL A 1 89  ? 9.632   -18.932 17.400 1.000 48.060  ? 407 VAL AAA CG1 1 ? 4  
ATOM   602  C CG2 . VAL A 1 89  ? 10.619  -18.164 15.251 1.000 45.640  ? 407 VAL AAA CG2 1 ? 4  
ATOM   603  N N   . ARG A 1 90  ? 8.453   -22.226 15.960 1.000 43.460  ? 408 ARG AAA N   1 ? 4  
ATOM   604  C CA  . ARG A 1 90  ? 7.650   -23.285 16.618 1.000 51.221  ? 408 ARG AAA CA  1 ? 4  
ATOM   605  C C   . ARG A 1 90  ? 8.476   -24.569 16.810 1.000 50.053  ? 408 ARG AAA C   1 ? 4  
ATOM   606  O O   . ARG A 1 90  ? 8.131   -25.336 17.710 1.000 52.574  ? 408 ARG AAA O   1 ? 4  
ATOM   607  C CB  . ARG A 1 90  ? 6.328   -23.500 15.875 1.000 59.817  ? 408 ARG AAA CB  1 ? 4  
ATOM   608  C CG  . ARG A 1 90  ? 6.442   -24.017 14.449 1.000 67.128  ? 408 ARG AAA CG  1 ? 4  
ATOM   609  C CD  . ARG A 1 90  ? 5.071   -24.090 13.782 1.000 75.352  ? 408 ARG AAA CD  1 ? 4  
ATOM   610  N NE  . ARG A 1 90  ? 4.706   -22.898 13.005 1.000 82.424  ? 408 ARG AAA NE  1 ? 4  
ATOM   611  C CZ  . ARG A 1 90  ? 3.752   -22.001 13.316 1.000 89.357  ? 408 ARG AAA CZ  1 ? 4  
ATOM   612  N NH1 . ARG A 1 90  ? 3.534   -20.977 12.505 1.000 85.056  ? 408 ARG AAA NH1 1 ? 4  
ATOM   613  N NH2 . ARG A 1 90  ? 3.024   -22.105 14.417 1.000 88.204  ? 408 ARG AAA NH2 1 ? 4  
ATOM   614  N N   . GLN A 1 91  ? 9.562   -24.776 16.064 1.000 47.623  ? 409 GLN AAA N   1 ? 4  
ATOM   615  C CA  . GLN A 1 91  ? 10.434  -25.968 16.219 1.000 45.373  ? 409 GLN AAA CA  1 ? 4  
ATOM   616  C C   . GLN A 1 91  ? 11.327  -25.803 17.458 1.000 45.699  ? 409 GLN AAA C   1 ? 4  
ATOM   617  O O   . GLN A 1 91  ? 11.965  -26.828 17.861 1.000 39.601  ? 409 GLN AAA O   1 ? 4  
ATOM   618  C CB  . GLN A 1 91  ? 11.309  -26.202 14.985 1.000 44.179  ? 409 GLN AAA CB  1 ? 4  
ATOM   619  C CG  . GLN A 1 91  ? 10.561  -26.715 13.762 1.000 48.623  ? 409 GLN AAA CG  1 ? 4  
ATOM   620  C CD  . GLN A 1 91  ? 11.497  -27.010 12.610 1.000 48.067  ? 409 GLN AAA CD  1 ? 4  
ATOM   621  O OE1 . GLN A 1 91  ? 12.575  -27.576 12.798 1.000 43.600  ? 409 GLN AAA OE1 1 ? 4  
ATOM   622  N NE2 . GLN A 1 91  ? 11.093  -26.626 11.404 1.000 44.278  ? 409 GLN AAA NE2 1 ? 4  
ATOM   623  N N   . ILE A 1 92  ? 11.433  -24.587 18.013 1.000 41.056  ? 410 ILE AAA N   1 ? 4  
ATOM   624  C CA  . ILE A 1 92  ? 12.296  -24.338 19.203 1.000 42.533  ? 410 ILE AAA CA  1 ? 4  
ATOM   625  C C   . ILE A 1 92  ? 11.423  -24.562 20.445 1.000 44.859  ? 410 ILE AAA C   1 ? 4  
ATOM   626  O O   . ILE A 1 92  ? 10.986  -23.593 21.096 1.000 44.379  ? 410 ILE AAA O   1 ? 4  
ATOM   627  C CB  . ILE A 1 92  ? 12.987  -22.964 19.171 1.000 42.484  ? 410 ILE AAA CB  1 ? 4  
ATOM   628  C CG1 . ILE A 1 92  ? 13.670  -22.680 17.834 1.000 44.080  ? 410 ILE AAA CG1 1 ? 4  
ATOM   629  C CG2 . ILE A 1 92  ? 13.975  -22.854 20.315 1.000 40.188  ? 410 ILE AAA CG2 1 ? 4  
ATOM   630  C CD1 . ILE A 1 92  ? 14.557  -23.798 17.350 1.000 43.606  ? 410 ILE AAA CD1 1 ? 4  
ATOM   631  N N   . ALA A 1 93  ? 11.149  -25.834 20.716 1.000 42.476  ? 411 ALA AAA N   1 ? 4  
ATOM   632  C CA  . ALA A 1 93  ? 10.269  -26.307 21.799 1.000 47.584  ? 411 ALA AAA CA  1 ? 4  
ATOM   633  C C   . ALA A 1 93  ? 10.542  -27.792 21.996 1.000 48.970  ? 411 ALA AAA C   1 ? 4  
ATOM   634  O O   . ALA A 1 93  ? 10.971  -28.476 21.068 1.000 47.234  ? 411 ALA AAA O   1 ? 4  
ATOM   635  C CB  . ALA A 1 93  ? 8.812   -26.032 21.478 1.000 46.831  ? 411 ALA AAA CB  1 ? 4  
ATOM   636  N N   . PRO A 1 94  ? 10.346  -28.314 23.225 1.000 49.268  ? 412 PRO AAA N   1 ? 4  
ATOM   637  C CA  . PRO A 1 94  ? 10.449  -29.741 23.474 1.000 47.196  ? 412 PRO AAA CA  1 ? 4  
ATOM   638  C C   . PRO A 1 94  ? 9.530   -30.502 22.517 1.000 49.935  ? 412 PRO AAA C   1 ? 4  
ATOM   639  O O   . PRO A 1 94  ? 8.433   -30.050 22.336 1.000 52.433  ? 412 PRO AAA O   1 ? 4  
ATOM   640  C CB  . PRO A 1 94  ? 9.895   -29.927 24.889 1.000 50.794  ? 412 PRO AAA CB  1 ? 4  
ATOM   641  C CG  . PRO A 1 94  ? 9.973   -28.573 25.545 1.000 53.457  ? 412 PRO AAA CG  1 ? 4  
ATOM   642  C CD  . PRO A 1 94  ? 9.986   -27.549 24.427 1.000 53.030  ? 412 PRO AAA CD  1 ? 4  
ATOM   643  N N   . GLY A 1 95  ? 9.997   -31.623 21.958 1.000 50.724  ? 413 GLY AAA N   1 ? 4  
ATOM   644  C CA  . GLY A 1 95  ? 9.148   -32.618 21.278 1.000 50.170  ? 413 GLY AAA CA  1 ? 4  
ATOM   645  C C   . GLY A 1 95  ? 8.857   -32.254 19.834 1.000 51.614  ? 413 GLY AAA C   1 ? 4  
ATOM   646  O O   . GLY A 1 95  ? 8.027   -32.931 19.247 1.000 54.775  ? 413 GLY AAA O   1 ? 4  
ATOM   647  N N   . GLN A 1 96  ? 9.535   -31.245 19.274 1.000 51.230  ? 414 GLN AAA N   1 ? 4  
ATOM   648  C CA  . GLN A 1 96  ? 9.297   -30.766 17.890 1.000 53.355  ? 414 GLN AAA CA  1 ? 4  
ATOM   649  C C   . GLN A 1 96  ? 10.208  -31.525 16.934 1.000 52.029  ? 414 GLN AAA C   1 ? 4  
ATOM   650  O O   . GLN A 1 96  ? 11.290  -31.923 17.361 1.000 56.520  ? 414 GLN AAA O   1 ? 4  
ATOM   651  C CB  . GLN A 1 96  ? 9.522   -29.264 17.792 1.000 53.039  ? 414 GLN AAA CB  1 ? 4  
ATOM   652  C CG  . GLN A 1 96  ? 8.587   -28.462 18.678 1.000 52.350  ? 414 GLN AAA CG  1 ? 4  
ATOM   653  C CD  . GLN A 1 96  ? 7.148   -28.757 18.362 1.000 58.629  ? 414 GLN AAA CD  1 ? 4  
ATOM   654  O OE1 . GLN A 1 96  ? 6.687   -28.478 17.267 1.000 64.460  ? 414 GLN AAA OE1 1 ? 4  
ATOM   655  N NE2 . GLN A 1 96  ? 6.446   -29.352 19.313 1.000 60.008  ? 414 GLN AAA NE2 1 ? 4  
ATOM   656  N N   . THR A 1 97  ? 9.706   -31.787 15.731 1.000 57.917  ? 415 THR AAA N   1 ? 4  
ATOM   657  C CA  . THR A 1 97  ? 10.450  -32.325 14.562 1.000 60.856  ? 415 THR AAA CA  1 ? 4  
ATOM   658  C C   . THR A 1 97  ? 10.502  -31.257 13.457 1.000 61.324  ? 415 THR AAA C   1 ? 4  
ATOM   659  O O   . THR A 1 97  ? 9.720   -30.273 13.517 1.000 56.001  ? 415 THR AAA O   1 ? 4  
ATOM   660  C CB  . THR A 1 97  ? 9.796   -33.600 14.033 1.000 61.489  ? 415 THR AAA CB  1 ? 4  
ATOM   661  O OG1 . THR A 1 97  ? 8.549   -33.208 13.473 1.000 64.158  ? 415 THR AAA OG1 1 ? 4  
ATOM   662  C CG2 . THR A 1 97  ? 9.562   -34.642 15.100 1.000 67.008  ? 415 THR AAA CG2 1 ? 4  
ATOM   663  N N   . GLY A 1 98  ? 11.401  -31.447 12.490 1.000 56.147  ? 416 GLY AAA N   1 ? 5  
ATOM   664  C CA  . GLY A 1 98  ? 11.704  -30.476 11.421 1.000 53.117  ? 416 GLY AAA CA  1 ? 5  
ATOM   665  C C   . GLY A 1 98  ? 13.201  -30.265 11.299 1.000 51.469  ? 416 GLY AAA C   1 ? 5  
ATOM   666  O O   . GLY A 1 98  ? 13.923  -30.666 12.224 1.000 54.195  ? 416 GLY AAA O   1 ? 5  
ATOM   667  N N   . LYS A 1 99  ? 13.650  -29.660 10.200 1.000 46.962  ? 417 LYS AAA N   1 ? 5  
ATOM   668  C CA  . LYS A 1 99  ? 15.088  -29.522 9.857  1.000 50.533  ? 417 LYS AAA CA  1 ? 5  
ATOM   669  C C   . LYS A 1 99  ? 15.829  -28.884 11.033 1.000 43.309  ? 417 LYS AAA C   1 ? 5  
ATOM   670  O O   . LYS A 1 99  ? 17.003  -29.218 11.227 1.000 43.139  ? 417 LYS AAA O   1 ? 5  
ATOM   671  C CB  . LYS A 1 99  ? 15.315  -28.644 8.615  1.000 50.325  ? 417 LYS AAA CB  1 ? 5  
ATOM   672  C CG  . LYS A 1 99  ? 14.859  -29.249 7.301  1.000 61.715  ? 417 LYS AAA CG  1 ? 5  
ATOM   673  C CD  . LYS A 1 99  ? 15.787  -30.308 6.745  1.000 66.869  ? 417 LYS AAA CD  1 ? 5  
ATOM   674  C CE  . LYS A 1 99  ? 15.056  -31.353 5.917  1.000 76.313  ? 417 LYS AAA CE  1 ? 5  
ATOM   675  N NZ  . LYS A 1 99  ? 15.910  -31.888 4.823  1.000 83.632  ? 417 LYS AAA NZ  1 ? 5  
ATOM   676  N N   . ILE A 1 100 ? 15.205  -27.919 11.708 1.000 39.989  ? 418 ILE AAA N   1 ? 5  
ATOM   677  C CA  . ILE A 1 100 ? 15.881  -27.119 12.763 1.000 39.700  ? 418 ILE AAA CA  1 ? 5  
ATOM   678  C C   . ILE A 1 100 ? 16.020  -27.974 14.027 1.000 40.326  ? 418 ILE AAA C   1 ? 5  
ATOM   679  O O   . ILE A 1 100 ? 17.179  -28.137 14.505 1.000 39.970  ? 418 ILE AAA O   1 ? 5  
ATOM   680  C CB  . ILE A 1 100 ? 15.175  -25.773 12.979 1.000 40.362  ? 418 ILE AAA CB  1 ? 5  
ATOM   681  C CG1 . ILE A 1 100 ? 15.106  -24.983 11.667 1.000 43.316  ? 418 ILE AAA CG1 1 ? 5  
ATOM   682  C CG2 . ILE A 1 100 ? 15.892  -24.976 14.050 1.000 40.934  ? 418 ILE AAA CG2 1 ? 5  
ATOM   683  C CD1 . ILE A 1 100 ? 16.471  -24.642 11.070 1.000 40.385  ? 418 ILE AAA CD1 1 ? 5  
ATOM   684  N N   . ALA A 1 101 ? 14.921  -28.559 14.501 1.000 40.576  ? 419 ALA AAA N   1 ? 5  
ATOM   685  C CA  . ALA A 1 101 ? 14.907  -29.401 15.717 1.000 44.645  ? 419 ALA AAA CA  1 ? 5  
ATOM   686  C C   . ALA A 1 101 ? 15.784  -30.640 15.498 1.000 47.608  ? 419 ALA AAA C   1 ? 5  
ATOM   687  O O   . ALA A 1 101 ? 16.533  -31.008 16.429 1.000 47.969  ? 419 ALA AAA O   1 ? 5  
ATOM   688  C CB  . ALA A 1 101 ? 13.505  -29.782 16.080 1.000 46.263  ? 419 ALA AAA CB  1 ? 5  
ATOM   689  N N   . ASP A 1 102 ? 15.717  -31.239 14.309 1.000 44.924  ? 420 ASP AAA N   1 ? 5  
ATOM   690  C CA  . ASP A 1 102 ? 16.409  -32.510 13.991 1.000 43.471  ? 420 ASP AAA CA  1 ? 5  
ATOM   691  C C   . ASP A 1 102 ? 17.898  -32.282 13.722 1.000 44.459  ? 420 ASP AAA C   1 ? 5  
ATOM   692  O O   . ASP A 1 102 ? 18.703  -33.088 14.225 1.000 43.579  ? 420 ASP AAA O   1 ? 5  
ATOM   693  C CB  . ASP A 1 102 ? 15.829  -33.170 12.754 1.000 48.358  ? 420 ASP AAA CB  1 ? 5  
ATOM   694  C CG  . ASP A 1 102 ? 14.394  -33.608 12.913 1.000 53.336  ? 420 ASP AAA CG  1 ? 5  
ATOM   695  O OD1 . ASP A 1 102 ? 13.894  -33.648 14.067 1.000 51.371  ? 420 ASP AAA OD1 1 ? 5  
ATOM   696  O OD2 . ASP A 1 102 ? 13.800  -33.910 11.871 1.000 56.021  ? 420 ASP AAA OD2 1 ? 5  
ATOM   697  N N   . TYR A 1 103 ? 18.265  -31.268 12.928 1.000 42.461  ? 421 TYR AAA N   1 ? 5  
ATOM   698  C CA  . TYR A 1 103 ? 19.642  -31.130 12.392 1.000 40.908  ? 421 TYR AAA CA  1 ? 5  
ATOM   699  C C   . TYR A 1 103 ? 20.384  -29.906 12.937 1.000 38.165  ? 421 TYR AAA C   1 ? 5  
ATOM   700  O O   . TYR A 1 103 ? 21.617  -29.812 12.684 1.000 40.415  ? 421 TYR AAA O   1 ? 5  
ATOM   701  C CB  . TYR A 1 103 ? 19.609  -31.047 10.866 1.000 41.165  ? 421 TYR AAA CB  1 ? 5  
ATOM   702  C CG  . TYR A 1 103 ? 19.079  -32.258 10.153 1.000 46.596  ? 421 TYR AAA CG  1 ? 5  
ATOM   703  C CD1 . TYR A 1 103 ? 18.919  -33.481 10.791 1.000 50.688  ? 421 TYR AAA CD1 1 ? 5  
ATOM   704  C CD2 . TYR A 1 103 ? 18.803  -32.197 8.793  1.000 47.871  ? 421 TYR AAA CD2 1 ? 5  
ATOM   705  C CE1 . TYR A 1 103 ? 18.455  -34.596 10.108 1.000 50.714  ? 421 TYR AAA CE1 1 ? 5  
ATOM   706  C CE2 . TYR A 1 103 ? 18.348  -33.302 8.095  1.000 46.947  ? 421 TYR AAA CE2 1 ? 5  
ATOM   707  C CZ  . TYR A 1 103 ? 18.185  -34.506 8.752  1.000 49.891  ? 421 TYR AAA CZ  1 ? 5  
ATOM   708  O OH  . TYR A 1 103 ? 17.761  -35.595 8.053  1.000 49.738  ? 421 TYR AAA OH  1 ? 5  
ATOM   709  N N   . ASN A 1 104 ? 19.715  -28.977 13.613 1.000 37.788  ? 422 ASN AAA N   1 ? 5  
ATOM   710  C CA  . ASN A 1 104 ? 20.367  -27.690 13.975 1.000 37.816  ? 422 ASN AAA CA  1 ? 5  
ATOM   711  C C   . ASN A 1 104 ? 20.402  -27.428 15.484 1.000 38.611  ? 422 ASN AAA C   1 ? 5  
ATOM   712  O O   . ASN A 1 104 ? 21.481  -27.064 15.966 1.000 37.341  ? 422 ASN AAA O   1 ? 5  
ATOM   713  C CB  . ASN A 1 104 ? 19.737  -26.514 13.226 1.000 37.792  ? 422 ASN AAA CB  1 ? 5  
ATOM   714  C CG  . ASN A 1 104 ? 20.131  -26.548 11.765 1.000 38.833  ? 422 ASN AAA CG  1 ? 5  
ATOM   715  O OD1 . ASN A 1 104 ? 21.151  -25.974 11.397 1.000 36.256  ? 422 ASN AAA OD1 1 ? 5  
ATOM   716  N ND2 . ASN A 1 104 ? 19.378  -27.292 10.965 1.000 36.365  ? 422 ASN AAA ND2 1 ? 5  
ATOM   717  N N   . TYR A 1 105 ? 19.261  -27.456 16.168 1.000 39.898  ? 423 TYR AAA N   1 ? 5  
ATOM   718  C CA  . TYR A 1 105 ? 19.163  -27.069 17.605 1.000 40.179  ? 423 TYR AAA CA  1 ? 5  
ATOM   719  C C   . TYR A 1 105 ? 17.988  -27.823 18.212 1.000 37.924  ? 423 TYR AAA C   1 ? 5  
ATOM   720  O O   . TYR A 1 105 ? 16.866  -27.703 17.716 1.000 41.602  ? 423 TYR AAA O   1 ? 5  
ATOM   721  C CB  . TYR A 1 105 ? 19.006  -25.554 17.774 1.000 41.427  ? 423 TYR AAA CB  1 ? 5  
ATOM   722  C CG  . TYR A 1 105 ? 18.971  -25.094 19.213 1.000 40.671  ? 423 TYR AAA CG  1 ? 5  
ATOM   723  C CD1 . TYR A 1 105 ? 20.137  -24.772 19.884 1.000 39.241  ? 423 TYR AAA CD1 1 ? 5  
ATOM   724  C CD2 . TYR A 1 105 ? 17.775  -24.997 19.911 1.000 41.827  ? 423 TYR AAA CD2 1 ? 5  
ATOM   725  C CE1 . TYR A 1 105 ? 20.116  -24.368 21.207 1.000 44.422  ? 423 TYR AAA CE1 1 ? 5  
ATOM   726  C CE2 . TYR A 1 105 ? 17.737  -24.597 21.237 1.000 41.611  ? 423 TYR AAA CE2 1 ? 5  
ATOM   727  C CZ  . TYR A 1 105 ? 18.916  -24.305 21.895 1.000 42.345  ? 423 TYR AAA CZ  1 ? 5  
ATOM   728  O OH  . TYR A 1 105 ? 18.894  -23.892 23.195 1.000 44.752  ? 423 TYR AAA OH  1 ? 5  
ATOM   729  N N   . LYS A 1 106 ? 18.281  -28.635 19.213 1.000 39.558  ? 424 LYS AAA N   1 ? 5  
ATOM   730  C CA  . LYS A 1 106 ? 17.341  -29.614 19.796 1.000 40.480  ? 424 LYS AAA CA  1 ? 5  
ATOM   731  C C   . LYS A 1 106 ? 17.236  -29.335 21.297 1.000 43.266  ? 424 LYS AAA C   1 ? 5  
ATOM   732  O O   . LYS A 1 106 ? 18.281  -29.417 21.991 1.000 40.877  ? 424 LYS AAA O   1 ? 5  
ATOM   733  C CB  . LYS A 1 106 ? 17.875  -31.013 19.471 1.000 41.388  ? 424 LYS AAA CB  1 ? 5  
ATOM   734  C CG  . LYS A 1 106 ? 17.097  -32.183 20.053 1.000 43.714  ? 424 LYS AAA CG  1 ? 5  
ATOM   735  C CD  . LYS A 1 106 ? 15.631  -32.119 19.794 1.000 44.844  ? 424 LYS AAA CD  1 ? 5  
ATOM   736  C CE  . LYS A 1 106 ? 14.898  -33.406 20.087 1.000 49.616  ? 424 LYS AAA CE  1 ? 5  
ATOM   737  N NZ  . LYS A 1 106 ? 13.466  -33.225 19.774 1.000 58.999  ? 424 LYS AAA NZ  1 ? 5  
ATOM   738  N N   . LEU A 1 107 ? 16.027  -29.020 21.773 1.000 44.748  ? 425 LEU AAA N   1 ? 5  
ATOM   739  C CA  . LEU A 1 107 ? 15.734  -28.888 23.219 1.000 43.976  ? 425 LEU AAA CA  1 ? 5  
ATOM   740  C C   . LEU A 1 107 ? 15.383  -30.267 23.734 1.000 47.799  ? 425 LEU AAA C   1 ? 5  
ATOM   741  O O   . LEU A 1 107 ? 14.802  -31.058 22.998 1.000 49.880  ? 425 LEU AAA O   1 ? 5  
ATOM   742  C CB  . LEU A 1 107 ? 14.573  -27.920 23.448 1.000 43.326  ? 425 LEU AAA CB  1 ? 5  
ATOM   743  C CG  . LEU A 1 107 ? 14.863  -26.467 23.100 1.000 42.944  ? 425 LEU AAA CG  1 ? 5  
ATOM   744  C CD1 . LEU A 1 107 ? 13.627  -25.617 23.314 1.000 45.879  ? 425 LEU AAA CD1 1 ? 5  
ATOM   745  C CD2 . LEU A 1 107 ? 16.024  -25.938 23.922 1.000 45.664  ? 425 LEU AAA CD2 1 ? 5  
ATOM   746  N N   . PRO A 1 108 ? 15.713  -30.584 25.005 1.000 48.494  ? 426 PRO AAA N   1 ? 5  
ATOM   747  C CA  . PRO A 1 108 ? 15.369  -31.880 25.578 1.000 52.491  ? 426 PRO AAA CA  1 ? 5  
ATOM   748  C C   . PRO A 1 108 ? 13.886  -31.869 25.963 1.000 52.743  ? 426 PRO AAA C   1 ? 5  
ATOM   749  O O   . PRO A 1 108 ? 13.393  -30.798 26.217 1.000 54.012  ? 426 PRO AAA O   1 ? 5  
ATOM   750  C CB  . PRO A 1 108 ? 16.318  -31.969 26.788 1.000 53.299  ? 426 PRO AAA CB  1 ? 5  
ATOM   751  C CG  . PRO A 1 108 ? 16.514  -30.525 27.225 1.000 49.310  ? 426 PRO AAA CG  1 ? 5  
ATOM   752  C CD  . PRO A 1 108 ? 16.422  -29.715 25.953 1.000 47.363  ? 426 PRO AAA CD  1 ? 5  
ATOM   753  N N   . ASP A 1 109 ? 13.237  -33.035 26.038 1.000 55.778  ? 427 ASP AAA N   1 ? 5  
ATOM   754  C CA  . ASP A 1 109 ? 11.822  -33.157 26.484 1.000 56.712  ? 427 ASP AAA CA  1 ? 5  
ATOM   755  C C   . ASP A 1 109 ? 11.654  -32.468 27.848 1.000 58.012  ? 427 ASP AAA C   1 ? 5  
ATOM   756  O O   . ASP A 1 109 ? 10.576  -31.888 28.091 1.000 56.779  ? 427 ASP AAA O   1 ? 5  
ATOM   757  C CB  . ASP A 1 109 ? 11.354  -34.618 26.571 1.000 59.784  ? 427 ASP AAA CB  1 ? 5  
ATOM   758  C CG  . ASP A 1 109 ? 11.348  -35.378 25.248 1.000 59.093  ? 427 ASP AAA CG  1 ? 5  
ATOM   759  O OD1 . ASP A 1 109 ? 11.558  -34.742 24.226 1.000 61.866  ? 427 ASP AAA OD1 1 ? 5  
ATOM   760  O OD2 . ASP A 1 109 ? 11.140  -36.618 25.253 1.000 62.838  ? 427 ASP AAA OD2 1 ? 5  
ATOM   761  N N   . ASP A 1 110 ? 12.674  -32.526 28.710 1.000 63.558  ? 428 ASP AAA N   1 ? 5  
ATOM   762  C CA  . ASP A 1 110 ? 12.585  -32.103 30.139 1.000 68.285  ? 428 ASP AAA CA  1 ? 5  
ATOM   763  C C   . ASP A 1 110 ? 13.003  -30.628 30.256 1.000 59.936  ? 428 ASP AAA C   1 ? 5  
ATOM   764  O O   . ASP A 1 110 ? 13.120  -30.117 31.373 1.000 56.543  ? 428 ASP AAA O   1 ? 5  
ATOM   765  C CB  . ASP A 1 110 ? 13.355  -33.083 31.036 1.000 71.306  ? 428 ASP AAA CB  1 ? 5  
ATOM   766  C CG  . ASP A 1 110 ? 12.679  -34.455 31.132 1.000 91.583  ? 428 ASP AAA CG  1 ? 5  
ATOM   767  O OD1 . ASP A 1 110 ? 11.443  -34.529 30.851 1.000 96.378  ? 428 ASP AAA OD1 1 ? 5  
ATOM   768  O OD2 . ASP A 1 110 ? 13.373  -35.462 31.498 1.000 92.912  ? 428 ASP AAA OD2 1 ? 5  
ATOM   769  N N   . PHE A 1 111 ? 13.169  -29.937 29.134 1.000 56.335  ? 429 PHE AAA N   1 ? 5  
ATOM   770  C CA  . PHE A 1 111 ? 13.540  -28.499 29.112 1.000 52.500  ? 429 PHE AAA CA  1 ? 5  
ATOM   771  C C   . PHE A 1 111 ? 12.806  -27.722 30.209 1.000 53.960  ? 429 PHE AAA C   1 ? 5  
ATOM   772  O O   . PHE A 1 111 ? 11.555  -27.805 30.316 1.000 53.600  ? 429 PHE AAA O   1 ? 5  
ATOM   773  C CB  . PHE A 1 111 ? 13.190  -27.861 27.779 1.000 48.735  ? 429 PHE AAA CB  1 ? 5  
ATOM   774  C CG  . PHE A 1 111 ? 13.631  -26.427 27.657 1.000 47.195  ? 429 PHE AAA CG  1 ? 5  
ATOM   775  C CD1 . PHE A 1 111 ? 14.982  -26.093 27.694 1.000 46.570  ? 429 PHE AAA CD1 1 ? 5  
ATOM   776  C CD2 . PHE A 1 111 ? 12.697  -25.416 27.487 1.000 45.456  ? 429 PHE AAA CD2 1 ? 5  
ATOM   777  C CE1 . PHE A 1 111 ? 15.385  -24.773 27.541 1.000 47.087  ? 429 PHE AAA CE1 1 ? 5  
ATOM   778  C CE2 . PHE A 1 111 ? 13.099  -24.094 27.354 1.000 46.613  ? 429 PHE AAA CE2 1 ? 5  
ATOM   779  C CZ  . PHE A 1 111 ? 14.448  -23.774 27.366 1.000 46.176  ? 429 PHE AAA CZ  1 ? 5  
ATOM   780  N N   . THR A 1 112 ? 13.596  -26.997 31.000 1.000 56.128  ? 430 THR AAA N   1 ? 5  
ATOM   781  C CA  . THR A 1 112 ? 13.181  -25.937 31.950 1.000 56.864  ? 430 THR AAA CA  1 ? 5  
ATOM   782  C C   . THR A 1 112 ? 13.872  -24.648 31.500 1.000 59.258  ? 430 THR AAA C   1 ? 5  
ATOM   783  O O   . THR A 1 112 ? 15.124  -24.619 31.502 1.000 60.369  ? 430 THR AAA O   1 ? 5  
ATOM   784  C CB  . THR A 1 112 ? 13.520  -26.324 33.394 1.000 61.236  ? 430 THR AAA CB  1 ? 5  
ATOM   785  O OG1 . THR A 1 112 ? 12.945  -27.606 33.635 1.000 66.138  ? 430 THR AAA OG1 1 ? 5  
ATOM   786  C CG2 . THR A 1 112 ? 12.965  -25.371 34.429 1.000 62.597  ? 430 THR AAA CG2 1 ? 5  
ATOM   787  N N   . GLY A 1 113 ? 13.092  -23.648 31.081 1.000 56.882  ? 431 GLY AAA N   1 ? 5  
ATOM   788  C CA  . GLY A 1 113 ? 13.624  -22.391 30.532 1.000 53.229  ? 431 GLY AAA CA  1 ? 5  
ATOM   789  C C   . GLY A 1 113 ? 12.571  -21.625 29.749 1.000 52.987  ? 431 GLY AAA C   1 ? 5  
ATOM   790  O O   . GLY A 1 113 ? 11.383  -21.972 29.867 1.000 49.107  ? 431 GLY AAA O   1 ? 5  
ATOM   791  N N   . CYS A 1 114 ? 12.994  -20.604 28.995 1.000 48.294  ? 432 CYS AAA N   1 ? 5  
ATOM   792  C CA  . CYS A 1 114 ? 12.097  -19.751 28.186 1.000 48.986  ? 432 CYS AAA CA  1 ? 5  
ATOM   793  C C   . CYS A 1 114 ? 12.692  -19.616 26.794 1.000 47.388  ? 432 CYS AAA C   1 ? 5  
ATOM   794  O O   . CYS A 1 114 ? 13.899  -19.426 26.685 1.000 46.530  ? 432 CYS AAA O   1 ? 5  
ATOM   795  C CB  . CYS A 1 114 ? 11.862  -18.378 28.806 1.000 51.410  ? 432 CYS AAA CB  1 ? 5  
ATOM   796  S SG  . CYS A 1 114 ? 11.180  -18.481 30.480 1.000 57.600  ? 432 CYS AAA SG  1 ? 5  
ATOM   797  N N   . VAL A 1 115 ? 11.852  -19.783 25.782 1.000 45.889  ? 433 VAL AAA N   1 ? 5  
ATOM   798  C CA  . VAL A 1 115 ? 12.203  -19.536 24.363 1.000 44.095  ? 433 VAL AAA CA  1 ? 5  
ATOM   799  C C   . VAL A 1 115 ? 11.617  -18.174 24.005 1.000 44.390  ? 433 VAL AAA C   1 ? 5  
ATOM   800  O O   . VAL A 1 115 ? 10.388  -18.035 24.130 1.000 43.886  ? 433 VAL AAA O   1 ? 5  
ATOM   801  C CB  . VAL A 1 115 ? 11.646  -20.663 23.482 1.000 46.245  ? 433 VAL AAA CB  1 ? 5  
ATOM   802  C CG1 . VAL A 1 115 ? 11.928  -20.404 22.006 1.000 45.373  ? 433 VAL AAA CG1 1 ? 5  
ATOM   803  C CG2 . VAL A 1 115 ? 12.195  -22.011 23.935 1.000 45.456  ? 433 VAL AAA CG2 1 ? 5  
ATOM   804  N N   . ILE A 1 116 ? 12.476  -17.222 23.631 1.000 40.803  ? 434 ILE AAA N   1 ? 5  
ATOM   805  C CA  . ILE A 1 116 ? 12.127  -15.806 23.325 1.000 41.244  ? 434 ILE AAA CA  1 ? 5  
ATOM   806  C C   . ILE A 1 116 ? 12.544  -15.504 21.879 1.000 41.124  ? 434 ILE AAA C   1 ? 5  
ATOM   807  O O   . ILE A 1 116 ? 13.716  -15.680 21.559 1.000 44.103  ? 434 ILE AAA O   1 ? 5  
ATOM   808  C CB  . ILE A 1 116 ? 12.824  -14.879 24.337 1.000 42.914  ? 434 ILE AAA CB  1 ? 5  
ATOM   809  C CG1 . ILE A 1 116 ? 12.585  -15.352 25.773 1.000 46.013  ? 434 ILE AAA CG1 1 ? 5  
ATOM   810  C CG2 . ILE A 1 116 ? 12.413  -13.424 24.147 1.000 45.953  ? 434 ILE AAA CG2 1 ? 5  
ATOM   811  C CD1 . ILE A 1 116 ? 13.408  -14.627 26.797 1.000 45.840  ? 434 ILE AAA CD1 1 ? 5  
ATOM   812  N N   . ALA A 1 117 ? 11.624  -15.077 21.015 1.000 44.286  ? 435 ALA AAA N   1 ? 5  
ATOM   813  C CA  . ALA A 1 117 ? 11.948  -14.726 19.604 1.000 39.417  ? 435 ALA AAA CA  1 ? 5  
ATOM   814  C C   . ALA A 1 117 ? 11.234  -13.440 19.205 1.000 39.695  ? 435 ALA AAA C   1 ? 5  
ATOM   815  O O   . ALA A 1 117 ? 10.204  -13.073 19.815 1.000 40.852  ? 435 ALA AAA O   1 ? 5  
ATOM   816  C CB  . ALA A 1 117 ? 11.584  -15.838 18.661 1.000 37.298  ? 435 ALA AAA CB  1 ? 5  
ATOM   817  N N   . TRP A 1 118 ? 11.779  -12.797 18.188 1.000 40.837  ? 436 TRP AAA N   1 ? 5  
ATOM   818  C CA  . TRP A 1 118 ? 11.250  -11.535 17.627 1.000 42.087  ? 436 TRP AAA CA  1 ? 5  
ATOM   819  C C   . TRP A 1 118 ? 11.718  -11.389 16.173 1.000 44.551  ? 436 TRP AAA C   1 ? 5  
ATOM   820  O O   . TRP A 1 118 ? 12.787  -11.932 15.816 1.000 41.927  ? 436 TRP AAA O   1 ? 5  
ATOM   821  C CB  . TRP A 1 118 ? 11.670  -10.368 18.516 1.000 40.689  ? 436 TRP AAA CB  1 ? 5  
ATOM   822  C CG  . TRP A 1 118 ? 13.137  -10.073 18.523 1.000 44.433  ? 436 TRP AAA CG  1 ? 5  
ATOM   823  C CD1 . TRP A 1 118 ? 13.769  -9.123  17.780 1.000 45.813  ? 436 TRP AAA CD1 1 ? 5  
ATOM   824  C CD2 . TRP A 1 118 ? 14.160  -10.693 19.325 1.000 44.115  ? 436 TRP AAA CD2 1 ? 5  
ATOM   825  N NE1 . TRP A 1 118 ? 15.102  -9.097  18.074 1.000 46.965  ? 436 TRP AAA NE1 1 ? 5  
ATOM   826  C CE2 . TRP A 1 118 ? 15.374  -10.041 19.022 1.000 44.779  ? 436 TRP AAA CE2 1 ? 5  
ATOM   827  C CE3 . TRP A 1 118 ? 14.172  -11.691 20.303 1.000 44.943  ? 436 TRP AAA CE3 1 ? 5  
ATOM   828  C CZ2 . TRP A 1 118 ? 16.585  -10.382 19.630 1.000 45.801  ? 436 TRP AAA CZ2 1 ? 5  
ATOM   829  C CZ3 . TRP A 1 118 ? 15.367  -12.017 20.916 1.000 45.449  ? 436 TRP AAA CZ3 1 ? 5  
ATOM   830  C CH2 . TRP A 1 118 ? 16.559  -11.381 20.576 1.000 42.822  ? 436 TRP AAA CH2 1 ? 5  
ATOM   831  N N   . ASN A 1 119 ? 10.917  -10.694 15.366 1.000 46.551  ? 437 ASN AAA N   1 ? 5  
ATOM   832  C CA  . ASN A 1 119 ? 11.171  -10.472 13.923 1.000 43.030  ? 437 ASN AAA CA  1 ? 5  
ATOM   833  C C   . ASN A 1 119 ? 12.397  -9.575  13.803 1.000 42.245  ? 437 ASN AAA C   1 ? 5  
ATOM   834  O O   . ASN A 1 119 ? 12.377  -8.530  14.452 1.000 44.789  ? 437 ASN AAA O   1 ? 5  
ATOM   835  C CB  . ASN A 1 119 ? 9.944   -9.860  13.248 1.000 44.025  ? 437 ASN AAA CB  1 ? 5  
ATOM   836  C CG  . ASN A 1 119 ? 10.152  -9.636  11.772 1.000 44.228  ? 437 ASN AAA CG  1 ? 5  
ATOM   837  O OD1 . ASN A 1 119 ? 11.038  -8.862  11.391 1.000 44.872  ? 437 ASN AAA OD1 1 ? 5  
ATOM   838  N ND2 . ASN A 1 119 ? 9.399   -10.370 10.957 1.000 43.518  ? 437 ASN AAA ND2 1 ? 5  
ATOM   839  N N   . SER A 1 120 ? 13.414  -9.977  13.031 1.000 39.092  ? 438 SER AAA N   1 ? 5  
ATOM   840  C CA  . SER A 1 120 ? 14.669  -9.197  12.837 1.000 42.011  ? 438 SER AAA CA  1 ? 5  
ATOM   841  C C   . SER A 1 120 ? 14.842  -8.802  11.364 1.000 43.880  ? 438 SER AAA C   1 ? 5  
ATOM   842  O O   . SER A 1 120 ? 15.993  -8.523  10.932 1.000 42.639  ? 438 SER AAA O   1 ? 5  
ATOM   843  C CB  . SER A 1 120 ? 15.883  -9.943  13.366 1.000 40.630  ? 438 SER AAA CB  1 ? 5  
ATOM   844  O OG  . SER A 1 120 ? 16.014  -11.233 12.767 1.000 43.523  ? 438 SER AAA OG  1 ? 5  
ATOM   845  N N   . ASN A 1 121 ? 13.733  -8.689  10.633 1.000 46.514  ? 439 ASN AAA N   1 ? 5  
ATOM   846  C CA  . ASN A 1 121 ? 13.751  -8.350  9.184  1.000 46.684  ? 439 ASN AAA CA  1 ? 5  
ATOM   847  C C   . ASN A 1 121 ? 14.669  -7.146  8.927  1.000 48.851  ? 439 ASN AAA C   1 ? 5  
ATOM   848  O O   . ASN A 1 121 ? 15.441  -7.188  7.969  1.000 51.891  ? 439 ASN AAA O   1 ? 5  
ATOM   849  C CB  . ASN A 1 121 ? 12.332  -8.079  8.686  1.000 49.084  ? 439 ASN AAA CB  1 ? 5  
ATOM   850  C CG  . ASN A 1 121 ? 12.215  -8.071  7.178  1.000 50.429  ? 439 ASN AAA CG  1 ? 5  
ATOM   851  O OD1 . ASN A 1 121 ? 12.756  -8.957  6.517  1.000 50.848  ? 439 ASN AAA OD1 1 ? 5  
ATOM   852  N ND2 . ASN A 1 121 ? 11.499  -7.087  6.646  1.000 46.215  ? 439 ASN AAA ND2 1 ? 5  
ATOM   853  N N   . ASN A 1 122 ? 14.583  -6.084  9.731  1.000 50.688  ? 440 ASN AAA N   1 ? 5  
ATOM   854  C CA  . ASN A 1 122 ? 15.279  -4.810  9.417  1.000 51.659  ? 440 ASN AAA CA  1 ? 5  
ATOM   855  C C   . ASN A 1 122 ? 16.774  -4.941  9.744  1.000 52.640  ? 440 ASN AAA C   1 ? 5  
ATOM   856  O O   . ASN A 1 122 ? 17.565  -4.106  9.269  1.000 50.704  ? 440 ASN AAA O   1 ? 5  
ATOM   857  C CB  . ASN A 1 122 ? 14.643  -3.624  10.134 1.000 54.152  ? 440 ASN AAA CB  1 ? 5  
ATOM   858  C CG  . ASN A 1 122 ? 13.165  -3.499  9.865  1.000 55.677  ? 440 ASN AAA CG  1 ? 5  
ATOM   859  O OD1 . ASN A 1 122 ? 12.737  -3.610  8.718  1.000 55.717  ? 440 ASN AAA OD1 1 ? 5  
ATOM   860  N ND2 . ASN A 1 122 ? 12.397  -3.232  10.909 1.000 54.628  ? 440 ASN AAA ND2 1 ? 5  
ATOM   861  N N   . LEU A 1 123 ? 17.165  -5.951  10.516 1.000 51.464  ? 441 LEU AAA N   1 ? 5  
ATOM   862  C CA  . LEU A 1 123 ? 18.593  -6.198  10.839 1.000 51.701  ? 441 LEU AAA CA  1 ? 5  
ATOM   863  C C   . LEU A 1 123 ? 19.179  -7.291  9.940  1.000 47.415  ? 441 LEU AAA C   1 ? 5  
ATOM   864  O O   . LEU A 1 123 ? 20.326  -7.161  9.607  1.000 48.406  ? 441 LEU AAA O   1 ? 5  
ATOM   865  C CB  . LEU A 1 123 ? 18.713  -6.590  12.312 1.000 52.429  ? 441 LEU AAA CB  1 ? 5  
ATOM   866  C CG  . LEU A 1 123 ? 18.335  -5.494  13.304 1.000 55.840  ? 441 LEU AAA CG  1 ? 5  
ATOM   867  C CD1 . LEU A 1 123 ? 18.396  -6.027  14.728 1.000 54.411  ? 441 LEU AAA CD1 1 ? 5  
ATOM   868  C CD2 . LEU A 1 123 ? 19.239  -4.278  13.126 1.000 60.936  ? 441 LEU AAA CD2 1 ? 5  
ATOM   869  N N   . ASP A 1 124 ? 18.445  -8.351  9.610  1.000 46.242  ? 442 ASP AAA N   1 ? 5  
ATOM   870  C CA  . ASP A 1 124 ? 19.062  -9.605  9.106  1.000 44.517  ? 442 ASP AAA CA  1 ? 5  
ATOM   871  C C   . ASP A 1 124 ? 18.649  -9.911  7.655  1.000 49.293  ? 442 ASP AAA C   1 ? 5  
ATOM   872  O O   . ASP A 1 124 ? 19.124  -10.953 7.124  1.000 50.157  ? 442 ASP AAA O   1 ? 5  
ATOM   873  C CB  . ASP A 1 124 ? 18.715  -10.741 10.060 1.000 43.915  ? 442 ASP AAA CB  1 ? 5  
ATOM   874  C CG  . ASP A 1 124 ? 19.298  -10.570 11.451 1.000 44.223  ? 442 ASP AAA CG  1 ? 5  
ATOM   875  O OD1 . ASP A 1 124 ? 20.469  -10.139 11.556 1.000 44.162  ? 442 ASP AAA OD1 1 ? 5  
ATOM   876  O OD2 . ASP A 1 124 ? 18.569  -10.861 12.420 1.000 45.201  ? 442 ASP AAA OD2 1 ? 5  
ATOM   877  N N   . SER A 1 125 ? 17.794  -9.077  7.050  1.000 47.649  ? 443 SER AAA N   1 ? 5  
ATOM   878  C CA  . SER A 1 125 ? 17.413  -9.122  5.615  1.000 50.956  ? 443 SER AAA CA  1 ? 5  
ATOM   879  C C   . SER A 1 125 ? 18.176  -8.030  4.871  1.000 54.145  ? 443 SER AAA C   1 ? 5  
ATOM   880  O O   . SER A 1 125 ? 18.344  -6.952  5.445  1.000 59.171  ? 443 SER AAA O   1 ? 5  
ATOM   881  C CB  . SER A 1 125 ? 15.933  -8.942  5.407  1.000 50.512  ? 443 SER AAA CB  1 ? 5  
ATOM   882  O OG  . SER A 1 125 ? 15.213  -10.059 5.902  1.000 51.981  ? 443 SER AAA OG  1 ? 5  
ATOM   883  N N   . LYS A 1 126 ? 18.554  -8.299  3.621  1.000 58.755  ? 444 LYS AAA N   1 ? 5  
ATOM   884  C CA  . LYS A 1 126 ? 19.190  -7.331  2.688  1.000 65.880  ? 444 LYS AAA CA  1 ? 5  
ATOM   885  C C   . LYS A 1 126 ? 18.450  -7.370  1.354  1.000 61.975  ? 444 LYS AAA C   1 ? 5  
ATOM   886  O O   . LYS A 1 126 ? 18.109  -8.476  0.919  1.000 66.501  ? 444 LYS AAA O   1 ? 5  
ATOM   887  C CB  . LYS A 1 126 ? 20.657  -7.708  2.465  1.000 74.332  ? 444 LYS AAA CB  1 ? 5  
ATOM   888  C CG  . LYS A 1 126 ? 21.627  -7.056  3.436  1.000 85.396  ? 444 LYS AAA CG  1 ? 5  
ATOM   889  C CD  . LYS A 1 126 ? 23.033  -7.612  3.377  1.000 93.356  ? 444 LYS AAA CD  1 ? 5  
ATOM   890  C CE  . LYS A 1 126 ? 23.734  -7.523  4.720  1.000 93.877  ? 444 LYS AAA CE  1 ? 5  
ATOM   891  N NZ  . LYS A 1 126 ? 25.198  -7.708  4.580  1.000 97.835  ? 444 LYS AAA NZ  1 ? 5  
ATOM   892  N N   . VAL A 1 127 ? 18.256  -6.225  0.703  1.000 66.811  ? 445 VAL AAA N   1 ? 5  
ATOM   893  C CA  . VAL A 1 127 ? 17.873  -6.176  -0.745 1.000 73.078  ? 445 VAL AAA CA  1 ? 5  
ATOM   894  C C   . VAL A 1 127 ? 18.895  -7.014  -1.528 1.000 69.695  ? 445 VAL AAA C   1 ? 5  
ATOM   895  O O   . VAL A 1 127 ? 20.100  -6.799  -1.333 1.000 66.639  ? 445 VAL AAA O   1 ? 5  
ATOM   896  C CB  . VAL A 1 127 ? 17.793  -4.735  -1.285 1.000 79.719  ? 445 VAL AAA CB  1 ? 5  
ATOM   897  C CG1 . VAL A 1 127 ? 17.406  -4.720  -2.758 1.000 82.670  ? 445 VAL AAA CG1 1 ? 5  
ATOM   898  C CG2 . VAL A 1 127 ? 16.835  -3.864  -0.469 1.000 80.855  ? 445 VAL AAA CG2 1 ? 5  
ATOM   899  N N   . GLY A 1 128 ? 18.426  -7.976  -2.327 1.000 70.609  ? 446 GLY AAA N   1 ? 5  
ATOM   900  C CA  . GLY A 1 128 ? 19.271  -8.935  -3.067 1.000 64.431  ? 446 GLY AAA CA  1 ? 5  
ATOM   901  C C   . GLY A 1 128 ? 19.534  -10.177 -2.244 1.000 67.551  ? 446 GLY AAA C   1 ? 5  
ATOM   902  O O   . GLY A 1 128 ? 20.061  -11.168 -2.803 1.000 66.669  ? 446 GLY AAA O   1 ? 5  
ATOM   903  N N   . GLY A 1 129 ? 19.181  -10.144 -0.951 1.000 65.294  ? 447 GLY AAA N   1 ? 5  
ATOM   904  C CA  . GLY A 1 129 ? 19.275  -11.314 -0.061 1.000 59.052  ? 447 GLY AAA CA  1 ? 5  
ATOM   905  C C   . GLY A 1 129 ? 20.482  -11.247 0.851  1.000 57.305  ? 447 GLY AAA C   1 ? 5  
ATOM   906  O O   . GLY A 1 129 ? 21.573  -10.920 0.382  1.000 54.865  ? 447 GLY AAA O   1 ? 5  
ATOM   907  N N   . ASN A 1 130 ? 20.282  -11.541 2.133  1.000 56.711  ? 448 ASN AAA N   1 ? 5  
ATOM   908  C CA  . ASN A 1 130 ? 21.375  -11.803 3.094  1.000 54.906  ? 448 ASN AAA CA  1 ? 5  
ATOM   909  C C   . ASN A 1 130 ? 21.608  -13.310 3.080  1.000 48.968  ? 448 ASN AAA C   1 ? 5  
ATOM   910  O O   . ASN A 1 130 ? 20.692  -13.997 3.437  1.000 51.267  ? 448 ASN AAA O   1 ? 5  
ATOM   911  C CB  . ASN A 1 130 ? 21.039  -11.279 4.493  1.000 55.069  ? 448 ASN AAA CB  1 ? 5  
ATOM   912  C CG  . ASN A 1 130 ? 22.171  -11.492 5.472  1.000 54.649  ? 448 ASN AAA CG  1 ? 5  
ATOM   913  O OD1 . ASN A 1 130 ? 23.285  -11.845 5.061  1.000 54.450  ? 448 ASN AAA OD1 1 ? 5  
ATOM   914  N ND2 . ASN A 1 130 ? 21.898  -11.262 6.748  1.000 42.548  ? 448 ASN AAA ND2 1 ? 5  
ATOM   915  N N   . TYR A 1 131 ? 22.780  -13.782 2.660  1.000 48.561  ? 449 TYR AAA N   1 ? 5  
ATOM   916  C CA  . TYR A 1 131 ? 23.134  -15.225 2.611  1.000 47.819  ? 449 TYR AAA CA  1 ? 5  
ATOM   917  C C   . TYR A 1 131 ? 24.070  -15.611 3.775  1.000 43.457  ? 449 TYR AAA C   1 ? 5  
ATOM   918  O O   . TYR A 1 131 ? 24.453  -16.778 3.803  1.000 44.135  ? 449 TYR AAA O   1 ? 5  
ATOM   919  C CB  . TYR A 1 131 ? 23.669  -15.556 1.206  1.000 52.097  ? 449 TYR AAA CB  1 ? 5  
ATOM   920  C CG  . TYR A 1 131 ? 22.631  -15.290 0.139  1.000 52.394  ? 449 TYR AAA CG  1 ? 5  
ATOM   921  C CD1 . TYR A 1 131 ? 21.599  -16.186 -0.066 1.000 50.711  ? 449 TYR AAA CD1 1 ? 5  
ATOM   922  C CD2 . TYR A 1 131 ? 22.616  -14.116 -0.600 1.000 52.676  ? 449 TYR AAA CD2 1 ? 5  
ATOM   923  C CE1 . TYR A 1 131 ? 20.590  -15.942 -0.982 1.000 51.825  ? 449 TYR AAA CE1 1 ? 5  
ATOM   924  C CE2 . TYR A 1 131 ? 21.614  -13.852 -1.522 1.000 56.510  ? 449 TYR AAA CE2 1 ? 5  
ATOM   925  C CZ  . TYR A 1 131 ? 20.593  -14.771 -1.711 1.000 56.258  ? 449 TYR AAA CZ  1 ? 5  
ATOM   926  O OH  . TYR A 1 131 ? 19.582  -14.577 -2.609 1.000 60.570  ? 449 TYR AAA OH  1 ? 5  
ATOM   927  N N   . ASN A 1 132 ? 24.365  -14.741 4.751  1.000 41.874  ? 450 ASN AAA N   1 ? 5  
ATOM   928  C CA  A ASN A 1 132 ? 25.263  -14.955 5.933  0.500 40.787  ? 450 ASN AAA CA  1 ? 5  
ATOM   929  C CA  B ASN A 1 132 ? 25.381  -15.193 5.741  0.500 46.332  ? 450 ASN AAA CA  1 ? 5  
ATOM   930  C C   . ASN A 1 132 ? 24.759  -16.094 6.814  1.000 41.651  ? 450 ASN AAA C   1 ? 5  
ATOM   931  O O   . ASN A 1 132 ? 25.570  -16.826 7.378  1.000 48.074  ? 450 ASN AAA O   1 ? 5  
ATOM   932  C CB  A ASN A 1 132 ? 25.318  -13.726 6.858  0.500 35.688  ? 450 ASN AAA CB  1 ? 5  
ATOM   933  C CB  B ASN A 1 132 ? 26.317  -14.106 6.280  0.500 49.450  ? 450 ASN AAA CB  1 ? 5  
ATOM   934  C CG  A ASN A 1 132 ? 26.055  -13.938 8.174  0.500 34.629  ? 450 ASN AAA CG  1 ? 5  
ATOM   935  C CG  B ASN A 1 132 ? 27.733  -14.380 5.795  0.500 52.546  ? 450 ASN AAA CG  1 ? 5  
ATOM   936  O OD1 A ASN A 1 132 ? 27.253  -14.236 8.179  0.500 29.097  ? 450 ASN AAA OD1 1 ? 5  
ATOM   937  O OD1 B ASN A 1 132 ? 28.624  -14.702 6.579  0.500 44.696  ? 450 ASN AAA OD1 1 ? 5  
ATOM   938  N ND2 A ASN A 1 132 ? 25.365  -13.724 9.298  0.500 29.435  ? 450 ASN AAA ND2 1 ? 5  
ATOM   939  N ND2 B ASN A 1 132 ? 27.936  -14.355 4.481  0.500 61.345  ? 450 ASN AAA ND2 1 ? 5  
ATOM   940  N N   . TYR A 1 133 ? 23.436  -16.141 6.993  1.000 40.372  ? 451 TYR AAA N   1 ? 5  
ATOM   941  C CA  . TYR A 1 133 ? 22.805  -17.089 7.945  1.000 39.698  ? 451 TYR AAA CA  1 ? 5  
ATOM   942  C C   . TYR A 1 133 ? 22.607  -18.434 7.251  1.000 41.355  ? 451 TYR AAA C   1 ? 5  
ATOM   943  O O   . TYR A 1 133 ? 21.963  -18.473 6.174  1.000 40.820  ? 451 TYR AAA O   1 ? 5  
ATOM   944  C CB  . TYR A 1 133 ? 21.500  -16.542 8.521  1.000 39.030  ? 451 TYR AAA CB  1 ? 5  
ATOM   945  C CG  . TYR A 1 133 ? 21.712  -15.360 9.433  1.000 42.019  ? 451 TYR AAA CG  1 ? 5  
ATOM   946  C CD1 . TYR A 1 133 ? 22.230  -15.534 10.710 1.000 41.173  ? 451 TYR AAA CD1 1 ? 5  
ATOM   947  C CD2 . TYR A 1 133 ? 21.387  -14.077 9.034  1.000 42.474  ? 451 TYR AAA CD2 1 ? 5  
ATOM   948  C CE1 . TYR A 1 133 ? 22.423  -14.465 11.563 1.000 39.385  ? 451 TYR AAA CE1 1 ? 5  
ATOM   949  C CE2 . TYR A 1 133 ? 21.580  -12.989 9.876  1.000 45.505  ? 451 TYR AAA CE2 1 ? 5  
ATOM   950  C CZ  . TYR A 1 133 ? 22.102  -13.189 11.141 1.000 41.118  ? 451 TYR AAA CZ  1 ? 5  
ATOM   951  O OH  . TYR A 1 133 ? 22.321  -12.138 11.967 1.000 39.989  ? 451 TYR AAA OH  1 ? 5  
ATOM   952  N N   . LEU A 1 134 ? 23.138  -19.492 7.872  1.000 36.538  ? 452 LEU AAA N   1 ? 5  
ATOM   953  C CA  . LEU A 1 134 ? 23.047  -20.880 7.371  1.000 37.584  ? 452 LEU AAA CA  1 ? 5  
ATOM   954  C C   . LEU A 1 134 ? 22.268  -21.749 8.359  1.000 40.899  ? 452 LEU AAA C   1 ? 5  
ATOM   955  O O   . LEU A 1 134 ? 22.165  -21.404 9.591  1.000 39.179  ? 452 LEU AAA O   1 ? 5  
ATOM   956  C CB  . LEU A 1 134 ? 24.448  -21.447 7.163  1.000 35.994  ? 452 LEU AAA CB  1 ? 5  
ATOM   957  C CG  . LEU A 1 134 ? 25.453  -20.521 6.485  1.000 40.325  ? 452 LEU AAA CG  1 ? 5  
ATOM   958  C CD1 . LEU A 1 134 ? 26.821  -21.190 6.421  1.000 40.603  ? 452 LEU AAA CD1 1 ? 5  
ATOM   959  C CD2 . LEU A 1 134 ? 24.970  -20.125 5.087  1.000 40.318  ? 452 LEU AAA CD2 1 ? 5  
ATOM   960  N N   . TYR A 1 135 ? 21.769  -22.850 7.815  1.000 38.621  ? 453 TYR AAA N   1 ? 5  
ATOM   961  C CA  . TYR A 1 135 ? 21.178  -23.984 8.553  1.000 41.981  ? 453 TYR AAA CA  1 ? 5  
ATOM   962  C C   . TYR A 1 135 ? 21.732  -25.258 7.913  1.000 43.538  ? 453 TYR AAA C   1 ? 5  
ATOM   963  O O   . TYR A 1 135 ? 22.071  -25.211 6.706  1.000 41.855  ? 453 TYR AAA O   1 ? 5  
ATOM   964  C CB  . TYR A 1 135 ? 19.654  -23.874 8.513  1.000 39.016  ? 453 TYR AAA CB  1 ? 5  
ATOM   965  C CG  . TYR A 1 135 ? 19.057  -24.018 7.141  1.000 37.998  ? 453 TYR AAA CG  1 ? 5  
ATOM   966  C CD1 . TYR A 1 135 ? 18.907  -22.919 6.317  1.000 40.330  ? 453 TYR AAA CD1 1 ? 5  
ATOM   967  C CD2 . TYR A 1 135 ? 18.615  -25.248 6.669  1.000 39.946  ? 453 TYR AAA CD2 1 ? 5  
ATOM   968  C CE1 . TYR A 1 135 ? 18.334  -23.032 5.058  1.000 39.984  ? 453 TYR AAA CE1 1 ? 5  
ATOM   969  C CE2 . TYR A 1 135 ? 18.053  -25.381 5.406  1.000 42.144  ? 453 TYR AAA CE2 1 ? 5  
ATOM   970  C CZ  . TYR A 1 135 ? 17.912  -24.265 4.595  1.000 41.439  ? 453 TYR AAA CZ  1 ? 5  
ATOM   971  O OH  . TYR A 1 135 ? 17.402  -24.368 3.328  1.000 45.894  ? 453 TYR AAA OH  1 ? 5  
ATOM   972  N N   . ARG A 1 136 ? 21.820  -26.344 8.685  1.000 39.887  ? 454 ARG AAA N   1 ? 5  
ATOM   973  C CA  . ARG A 1 136 ? 22.211  -27.679 8.172  1.000 40.333  ? 454 ARG AAA CA  1 ? 5  
ATOM   974  C C   . ARG A 1 136 ? 20.958  -28.290 7.563  1.000 41.271  ? 454 ARG AAA C   1 ? 5  
ATOM   975  O O   . ARG A 1 136 ? 19.923  -28.274 8.225  1.000 43.743  ? 454 ARG AAA O   1 ? 5  
ATOM   976  C CB  . ARG A 1 136 ? 22.832  -28.545 9.273  1.000 38.784  ? 454 ARG AAA CB  1 ? 5  
ATOM   977  C CG  . ARG A 1 136 ? 23.374  -29.893 8.817  1.000 39.969  ? 454 ARG AAA CG  1 ? 5  
ATOM   978  C CD  . ARG A 1 136 ? 24.040  -30.629 9.983  1.000 42.200  ? 454 ARG AAA CD  1 ? 5  
ATOM   979  N NE  . ARG A 1 136 ? 25.137  -29.836 10.518 1.000 41.649  ? 454 ARG AAA NE  1 ? 5  
ATOM   980  C CZ  . ARG A 1 136 ? 26.332  -29.729 9.940  1.000 42.282  ? 454 ARG AAA CZ  1 ? 5  
ATOM   981  N NH1 . ARG A 1 136 ? 26.612  -30.421 8.850  1.000 44.479  ? 454 ARG AAA NH1 1 ? 5  
ATOM   982  N NH2 . ARG A 1 136 ? 27.264  -28.966 10.475 1.000 40.858  ? 454 ARG AAA NH2 1 ? 5  
ATOM   983  N N   . LEU A 1 137 ? 21.062  -28.723 6.310  1.000 41.713  ? 455 LEU AAA N   1 ? 5  
ATOM   984  C CA  . LEU A 1 137 ? 19.939  -29.206 5.482  1.000 41.138  ? 455 LEU AAA CA  1 ? 5  
ATOM   985  C C   . LEU A 1 137 ? 20.007  -30.730 5.455  1.000 40.051  ? 455 LEU AAA C   1 ? 5  
ATOM   986  O O   . LEU A 1 137 ? 18.961  -31.355 5.317  1.000 39.622  ? 455 LEU AAA O   1 ? 5  
ATOM   987  C CB  . LEU A 1 137 ? 20.085  -28.578 4.086  1.000 42.020  ? 455 LEU AAA CB  1 ? 5  
ATOM   988  C CG  . LEU A 1 137 ? 19.143  -29.069 2.984  1.000 48.492  ? 455 LEU AAA CG  1 ? 5  
ATOM   989  C CD1 . LEU A 1 137 ? 17.675  -28.987 3.380  1.000 49.169  ? 455 LEU AAA CD1 1 ? 5  
ATOM   990  C CD2 . LEU A 1 137 ? 19.374  -28.275 1.694  1.000 50.379  ? 455 LEU AAA CD2 1 ? 5  
ATOM   991  N N   . PHE A 1 138 ? 21.201  -31.308 5.573  1.000 42.964  ? 456 PHE AAA N   1 ? 5  
ATOM   992  C CA  . PHE A 1 138 ? 21.415  -32.777 5.504  1.000 45.169  ? 456 PHE AAA CA  1 ? 5  
ATOM   993  C C   . PHE A 1 138 ? 22.234  -33.263 6.708  1.000 45.670  ? 456 PHE AAA C   1 ? 5  
ATOM   994  O O   . PHE A 1 138 ? 23.258  -32.637 7.083  1.000 48.632  ? 456 PHE AAA O   1 ? 5  
ATOM   995  C CB  . PHE A 1 138 ? 22.138  -33.175 4.215  1.000 47.279  ? 456 PHE AAA CB  1 ? 5  
ATOM   996  C CG  . PHE A 1 138 ? 21.507  -32.695 2.935  1.000 50.730  ? 456 PHE AAA CG  1 ? 5  
ATOM   997  C CD1 . PHE A 1 138 ? 20.365  -33.299 2.439  1.000 51.356  ? 456 PHE AAA CD1 1 ? 5  
ATOM   998  C CD2 . PHE A 1 138 ? 22.068  -31.650 2.213  1.000 49.203  ? 456 PHE AAA CD2 1 ? 5  
ATOM   999  C CE1 . PHE A 1 138 ? 19.791  -32.870 1.249  1.000 51.397  ? 456 PHE AAA CE1 1 ? 5  
ATOM   1000 C CE2 . PHE A 1 138 ? 21.481  -31.211 1.034  1.000 54.469  ? 456 PHE AAA CE2 1 ? 5  
ATOM   1001 C CZ  . PHE A 1 138 ? 20.344  -31.824 0.551  1.000 50.911  ? 456 PHE AAA CZ  1 ? 5  
ATOM   1002 N N   . ARG A 1 139 ? 21.838  -34.398 7.271  1.000 48.170  ? 457 ARG AAA N   1 ? 5  
ATOM   1003 C CA  . ARG A 1 139 ? 22.591  -35.065 8.361  1.000 48.362  ? 457 ARG AAA CA  1 ? 5  
ATOM   1004 C C   . ARG A 1 139 ? 22.148  -36.530 8.407  1.000 48.483  ? 457 ARG AAA C   1 ? 5  
ATOM   1005 O O   . ARG A 1 139 ? 20.978  -36.796 8.127  1.000 52.462  ? 457 ARG AAA O   1 ? 5  
ATOM   1006 C CB  . ARG A 1 139 ? 22.375  -34.292 9.669  1.000 46.751  ? 457 ARG AAA CB  1 ? 5  
ATOM   1007 C CG  . ARG A 1 139 ? 23.378  -34.630 10.764 1.000 47.085  ? 457 ARG AAA CG  1 ? 5  
ATOM   1008 C CD  . ARG A 1 139 ? 23.318  -33.715 11.976 1.000 44.638  ? 457 ARG AAA CD  1 ? 5  
ATOM   1009 N NE  . ARG A 1 139 ? 24.435  -33.945 12.896 1.000 48.103  ? 457 ARG AAA NE  1 ? 5  
ATOM   1010 C CZ  . ARG A 1 139 ? 24.469  -34.901 13.833 1.000 46.308  ? 457 ARG AAA CZ  1 ? 5  
ATOM   1011 N NH1 . ARG A 1 139 ? 23.434  -35.701 13.999 1.000 45.622  ? 457 ARG AAA NH1 1 ? 5  
ATOM   1012 N NH2 . ARG A 1 139 ? 25.511  -35.020 14.637 1.000 47.152  ? 457 ARG AAA NH2 1 ? 5  
ATOM   1013 N N   . LYS A 1 140 ? 23.071  -37.442 8.703  1.000 54.565  ? 458 LYS AAA N   1 ? 5  
ATOM   1014 C CA  . LYS A 1 140 ? 22.828  -38.910 8.777  1.000 58.355  ? 458 LYS AAA CA  1 ? 5  
ATOM   1015 C C   . LYS A 1 140 ? 21.858  -39.246 9.913  1.000 56.919  ? 458 LYS AAA C   1 ? 5  
ATOM   1016 O O   . LYS A 1 140 ? 21.228  -40.304 9.824  1.000 56.881  ? 458 LYS AAA O   1 ? 5  
ATOM   1017 C CB  . LYS A 1 140 ? 24.134  -39.670 9.010  1.000 66.164  ? 458 LYS AAA CB  1 ? 5  
ATOM   1018 C CG  . LYS A 1 140 ? 25.041  -39.801 7.793  1.000 79.760  ? 458 LYS AAA CG  1 ? 5  
ATOM   1019 C CD  . LYS A 1 140 ? 26.469  -40.202 8.143  1.000 92.696  ? 458 LYS AAA CD  1 ? 5  
ATOM   1020 C CE  . LYS A 1 140 ? 27.249  -39.076 8.801  1.000 97.072  ? 458 LYS AAA CE  1 ? 5  
ATOM   1021 N NZ  . LYS A 1 140 ? 28.557  -39.533 9.331  1.000 100.334 ? 458 LYS AAA NZ  1 ? 5  
ATOM   1022 N N   . SER A 1 141 ? 21.744  -38.403 10.947 1.000 52.249  ? 459 SER AAA N   1 ? 5  
ATOM   1023 C CA  . SER A 1 141 ? 20.845  -38.659 12.103 1.000 52.939  ? 459 SER AAA CA  1 ? 5  
ATOM   1024 C C   . SER A 1 141 ? 20.477  -37.360 12.822 1.000 48.921  ? 459 SER AAA C   1 ? 5  
ATOM   1025 O O   . SER A 1 141 ? 21.132  -36.349 12.601 1.000 47.691  ? 459 SER AAA O   1 ? 5  
ATOM   1026 C CB  . SER A 1 141 ? 21.488  -39.645 13.055 1.000 55.009  ? 459 SER AAA CB  1 ? 5  
ATOM   1027 O OG  . SER A 1 141 ? 22.642  -39.082 13.648 1.000 54.101  ? 459 SER AAA OG  1 ? 5  
ATOM   1028 N N   . ASN A 1 142 ? 19.444  -37.416 13.658 1.000 51.680  ? 460 ASN AAA N   1 ? 5  
ATOM   1029 C CA  . ASN A 1 142 ? 18.958  -36.279 14.479 1.000 49.912  ? 460 ASN AAA CA  1 ? 5  
ATOM   1030 C C   . ASN A 1 142 ? 19.998  -35.944 15.559 1.000 46.976  ? 460 ASN AAA C   1 ? 5  
ATOM   1031 O O   . ASN A 1 142 ? 20.613  -36.882 16.103 1.000 45.661  ? 460 ASN AAA O   1 ? 5  
ATOM   1032 C CB  . ASN A 1 142 ? 17.600  -36.621 15.102 1.000 53.561  ? 460 ASN AAA CB  1 ? 5  
ATOM   1033 C CG  . ASN A 1 142 ? 16.494  -36.752 14.076 1.000 54.006  ? 460 ASN AAA CG  1 ? 5  
ATOM   1034 O OD1 . ASN A 1 142 ? 16.644  -36.344 12.927 1.000 56.583  ? 460 ASN AAA OD1 1 ? 5  
ATOM   1035 N ND2 . ASN A 1 142 ? 15.373  -37.318 14.478 1.000 51.470  ? 460 ASN AAA ND2 1 ? 5  
ATOM   1036 N N   . LEU A 1 143 ? 20.152  -34.655 15.863 1.000 42.708  ? 461 LEU AAA N   1 ? 5  
ATOM   1037 C CA  . LEU A 1 143 ? 20.898  -34.119 17.031 1.000 44.981  ? 461 LEU AAA CA  1 ? 5  
ATOM   1038 C C   . LEU A 1 143 ? 20.324  -34.665 18.337 1.000 49.914  ? 461 LEU AAA C   1 ? 5  
ATOM   1039 O O   . LEU A 1 143 ? 19.086  -34.812 18.402 1.000 53.464  ? 461 LEU AAA O   1 ? 5  
ATOM   1040 C CB  . LEU A 1 143 ? 20.791  -32.597 17.043 1.000 42.151  ? 461 LEU AAA CB  1 ? 5  
ATOM   1041 C CG  . LEU A 1 143 ? 21.524  -31.889 15.906 1.000 45.342  ? 461 LEU AAA CG  1 ? 5  
ATOM   1042 C CD1 . LEU A 1 143 ? 21.424  -30.366 16.052 1.000 46.092  ? 461 LEU AAA CD1 1 ? 5  
ATOM   1043 C CD2 . LEU A 1 143 ? 22.974  -32.340 15.834 1.000 43.345  ? 461 LEU AAA CD2 1 ? 5  
ATOM   1044 N N   . LYS A 1 144 ? 21.195  -34.928 19.328 1.000 47.595  ? 462 LYS AAA N   1 ? 5  
ATOM   1045 C CA  . LYS A 1 144 ? 20.795  -35.029 20.760 1.000 47.598  ? 462 LYS AAA CA  1 ? 5  
ATOM   1046 C C   . LYS A 1 144 ? 20.534  -33.619 21.274 1.000 46.314  ? 462 LYS AAA C   1 ? 5  
ATOM   1047 O O   . LYS A 1 144 ? 20.976  -32.634 20.681 1.000 43.402  ? 462 LYS AAA O   1 ? 5  
ATOM   1048 C CB  . LYS A 1 144 ? 21.870  -35.695 21.614 1.000 50.507  ? 462 LYS AAA CB  1 ? 5  
ATOM   1049 C CG  . LYS A 1 144 ? 21.903  -37.207 21.486 1.000 54.388  ? 462 LYS AAA CG  1 ? 5  
ATOM   1050 C CD  . LYS A 1 144 ? 22.189  -37.637 20.074 1.000 55.683  ? 462 LYS AAA CD  1 ? 5  
ATOM   1051 C CE  . LYS A 1 144 ? 22.618  -39.073 19.975 1.000 58.409  ? 462 LYS AAA CE  1 ? 5  
ATOM   1052 N NZ  . LYS A 1 144 ? 23.340  -39.318 18.713 1.000 58.255  ? 462 LYS AAA NZ  1 ? 5  
ATOM   1053 N N   . PRO A 1 145 ? 19.790  -33.455 22.383 1.000 46.357  ? 463 PRO AAA N   1 ? 5  
ATOM   1054 C CA  . PRO A 1 145 ? 19.581  -32.124 22.928 1.000 45.452  ? 463 PRO AAA CA  1 ? 5  
ATOM   1055 C C   . PRO A 1 145 ? 20.934  -31.442 23.167 1.000 44.555  ? 463 PRO AAA C   1 ? 5  
ATOM   1056 O O   . PRO A 1 145 ? 21.818  -32.045 23.723 1.000 47.160  ? 463 PRO AAA O   1 ? 5  
ATOM   1057 C CB  . PRO A 1 145 ? 18.869  -32.366 24.265 1.000 48.614  ? 463 PRO AAA CB  1 ? 5  
ATOM   1058 C CG  . PRO A 1 145 ? 18.279  -33.754 24.149 1.000 49.559  ? 463 PRO AAA CG  1 ? 5  
ATOM   1059 C CD  . PRO A 1 145 ? 19.175  -34.513 23.197 1.000 50.314  ? 463 PRO AAA CD  1 ? 5  
ATOM   1060 N N   . PHE A 1 146 ? 21.029  -30.189 22.748 1.000 43.961  ? 464 PHE AAA N   1 ? 5  
ATOM   1061 C CA  . PHE A 1 146 ? 22.180  -29.271 22.940 1.000 44.674  ? 464 PHE AAA CA  1 ? 5  
ATOM   1062 C C   . PHE A 1 146 ? 23.448  -29.783 22.233 1.000 44.375  ? 464 PHE AAA C   1 ? 5  
ATOM   1063 O O   . PHE A 1 146 ? 24.500  -29.200 22.474 1.000 44.051  ? 464 PHE AAA O   1 ? 5  
ATOM   1064 C CB  . PHE A 1 146 ? 22.366  -29.005 24.436 1.000 47.871  ? 464 PHE AAA CB  1 ? 5  
ATOM   1065 C CG  . PHE A 1 146 ? 21.187  -28.333 25.101 1.000 48.067  ? 464 PHE AAA CG  1 ? 5  
ATOM   1066 C CD1 . PHE A 1 146 ? 20.595  -27.205 24.540 1.000 43.602  ? 464 PHE AAA CD1 1 ? 5  
ATOM   1067 C CD2 . PHE A 1 146 ? 20.691  -28.807 26.309 1.000 47.890  ? 464 PHE AAA CD2 1 ? 5  
ATOM   1068 C CE1 . PHE A 1 146 ? 19.530  -26.582 25.173 1.000 43.777  ? 464 PHE AAA CE1 1 ? 5  
ATOM   1069 C CE2 . PHE A 1 146 ? 19.606  -28.199 26.920 1.000 45.516  ? 464 PHE AAA CE2 1 ? 5  
ATOM   1070 C CZ  . PHE A 1 146 ? 19.040  -27.080 26.360 1.000 44.403  ? 464 PHE AAA CZ  1 ? 5  
ATOM   1071 N N   . GLU A 1 147 ? 23.363  -30.774 21.342 1.000 47.629  ? 465 GLU AAA N   1 ? 5  
ATOM   1072 C CA  . GLU A 1 147 ? 24.482  -31.130 20.407 1.000 49.814  ? 465 GLU AAA CA  1 ? 5  
ATOM   1073 C C   . GLU A 1 147 ? 24.704  -29.961 19.441 1.000 44.708  ? 465 GLU AAA C   1 ? 5  
ATOM   1074 O O   . GLU A 1 147 ? 23.712  -29.424 18.922 1.000 44.614  ? 465 GLU AAA O   1 ? 5  
ATOM   1075 C CB  . GLU A 1 147 ? 24.156  -32.393 19.593 1.000 48.827  ? 465 GLU AAA CB  1 ? 5  
ATOM   1076 C CG  . GLU A 1 147 ? 25.327  -32.952 18.797 1.000 48.307  ? 465 GLU AAA CG  1 ? 5  
ATOM   1077 C CD  . GLU A 1 147 ? 25.083  -34.336 18.209 1.000 50.928  ? 465 GLU AAA CD  1 ? 5  
ATOM   1078 O OE1 . GLU A 1 147 ? 23.976  -34.887 18.400 1.000 49.860  ? 465 GLU AAA OE1 1 ? 5  
ATOM   1079 O OE2 . GLU A 1 147 ? 25.986  -34.847 17.519 1.000 51.082  ? 465 GLU AAA OE2 1 ? 5  
ATOM   1080 N N   A ARG A 1 148 ? 25.963  -29.593 19.203 0.500 47.002  ? 466 ARG AAA N   1 ? 5  
ATOM   1081 N N   B ARG A 1 148 ? 25.961  -29.560 19.230 0.500 47.671  ? 466 ARG AAA N   1 ? 5  
ATOM   1082 C CA  A ARG A 1 148 ? 26.348  -28.549 18.212 0.500 46.318  ? 466 ARG AAA CA  1 ? 5  
ATOM   1083 C CA  B ARG A 1 148 ? 26.350  -28.543 18.209 0.500 47.351  ? 466 ARG AAA CA  1 ? 5  
ATOM   1084 C C   A ARG A 1 148 ? 27.211  -29.216 17.140 0.500 45.332  ? 466 ARG AAA C   1 ? 5  
ATOM   1085 C C   B ARG A 1 148 ? 27.200  -29.242 17.147 0.500 45.953  ? 466 ARG AAA C   1 ? 5  
ATOM   1086 O O   A ARG A 1 148 ? 28.328  -29.652 17.466 0.500 47.222  ? 466 ARG AAA O   1 ? 5  
ATOM   1087 O O   B ARG A 1 148 ? 28.295  -29.725 17.486 0.500 47.567  ? 466 ARG AAA O   1 ? 5  
ATOM   1088 C CB  A ARG A 1 148 ? 27.078  -27.393 18.903 0.500 48.327  ? 466 ARG AAA CB  1 ? 5  
ATOM   1089 C CB  B ARG A 1 148 ? 27.100  -27.360 18.833 0.500 50.351  ? 466 ARG AAA CB  1 ? 5  
ATOM   1090 C CG  A ARG A 1 148 ? 27.224  -26.122 18.072 0.500 48.018  ? 466 ARG AAA CG  1 ? 5  
ATOM   1091 C CG  B ARG A 1 148 ? 27.488  -26.256 17.852 0.500 50.809  ? 466 ARG AAA CG  1 ? 5  
ATOM   1092 C CD  A ARG A 1 148 ? 27.652  -25.000 19.005 0.500 49.710  ? 466 ARG AAA CD  1 ? 5  
ATOM   1093 C CD  B ARG A 1 148 ? 28.282  -25.153 18.544 0.500 53.678  ? 466 ARG AAA CD  1 ? 5  
ATOM   1094 N NE  A ARG A 1 148 ? 28.180  -23.824 18.344 0.500 47.703  ? 466 ARG AAA NE  1 ? 5  
ATOM   1095 N NE  B ARG A 1 148 ? 27.576  -24.713 19.739 0.500 56.723  ? 466 ARG AAA NE  1 ? 5  
ATOM   1096 C CZ  A ARG A 1 148 ? 29.458  -23.650 18.046 0.500 49.959  ? 466 ARG AAA CZ  1 ? 5  
ATOM   1097 C CZ  B ARG A 1 148 ? 28.139  -24.405 20.898 0.500 57.696  ? 466 ARG AAA CZ  1 ? 5  
ATOM   1098 N NH1 A ARG A 1 148 ? 30.336  -24.593 18.343 0.500 51.998  ? 466 ARG AAA NH1 1 ? 5  
ATOM   1099 N NH1 B ARG A 1 148 ? 29.450  -24.473 21.039 0.500 64.878  ? 466 ARG AAA NH1 1 ? 5  
ATOM   1100 N NH2 A ARG A 1 148 ? 29.850  -22.540 17.448 0.500 48.165  ? 466 ARG AAA NH2 1 ? 5  
ATOM   1101 N NH2 B ARG A 1 148 ? 27.384  -24.031 21.915 0.500 56.945  ? 466 ARG AAA NH2 1 ? 5  
ATOM   1102 N N   . ASP A 1 149 ? 26.681  -29.348 15.923 1.000 46.584  ? 467 ASP AAA N   1 ? 5  
ATOM   1103 C CA  . ASP A 1 149 ? 27.421  -29.946 14.787 1.000 42.327  ? 467 ASP AAA CA  1 ? 5  
ATOM   1104 C C   . ASP A 1 149 ? 27.801  -28.797 13.873 1.000 43.949  ? 467 ASP AAA C   1 ? 5  
ATOM   1105 O O   . ASP A 1 149 ? 26.872  -28.219 13.272 1.000 42.127  ? 467 ASP AAA O   1 ? 5  
ATOM   1106 C CB  . ASP A 1 149 ? 26.583  -30.981 14.055 1.000 43.228  ? 467 ASP AAA CB  1 ? 5  
ATOM   1107 C CG  . ASP A 1 149 ? 27.349  -31.732 12.989 1.000 43.787  ? 467 ASP AAA CG  1 ? 5  
ATOM   1108 O OD1 . ASP A 1 149 ? 28.522  -31.357 12.738 1.000 43.800  ? 467 ASP AAA OD1 1 ? 5  
ATOM   1109 O OD2 . ASP A 1 149 ? 26.758  -32.690 12.428 1.000 45.275  ? 467 ASP AAA OD2 1 ? 5  
ATOM   1110 N N   . ILE A 1 150 ? 29.094  -28.468 13.799 1.000 41.912  ? 468 ILE AAA N   1 ? 5  
ATOM   1111 C CA  . ILE A 1 150 ? 29.586  -27.388 12.903 1.000 45.142  ? 468 ILE AAA CA  1 ? 5  
ATOM   1112 C C   . ILE A 1 150 ? 30.458  -28.002 11.809 1.000 42.324  ? 468 ILE AAA C   1 ? 5  
ATOM   1113 O O   . ILE A 1 150 ? 31.145  -27.258 11.133 1.000 46.487  ? 468 ILE AAA O   1 ? 5  
ATOM   1114 C CB  . ILE A 1 150 ? 30.304  -26.277 13.690 1.000 46.211  ? 468 ILE AAA CB  1 ? 5  
ATOM   1115 C CG1 . ILE A 1 150 ? 31.552  -26.771 14.421 1.000 49.885  ? 468 ILE AAA CG1 1 ? 5  
ATOM   1116 C CG2 . ILE A 1 150 ? 29.331  -25.597 14.634 1.000 48.493  ? 468 ILE AAA CG2 1 ? 5  
ATOM   1117 C CD1 . ILE A 1 150 ? 32.403  -25.643 14.951 1.000 53.435  ? 468 ILE AAA CD1 1 ? 5  
ATOM   1118 N N   . SER A 1 151 ? 30.372  -29.306 11.596 1.000 42.721  ? 469 SER AAA N   1 ? 5  
ATOM   1119 C CA  . SER A 1 151 ? 31.161  -29.986 10.539 1.000 44.571  ? 469 SER AAA CA  1 ? 5  
ATOM   1120 C C   . SER A 1 151 ? 30.627  -29.537 9.169  1.000 47.168  ? 469 SER AAA C   1 ? 5  
ATOM   1121 O O   . SER A 1 151 ? 29.447  -29.145 9.090  1.000 43.557  ? 469 SER AAA O   1 ? 5  
ATOM   1122 C CB  . SER A 1 151 ? 31.098  -31.486 10.708 1.000 41.886  ? 469 SER AAA CB  1 ? 5  
ATOM   1123 O OG  . SER A 1 151 ? 29.759  -31.963 10.606 1.000 41.229  ? 469 SER AAA OG  1 ? 5  
ATOM   1124 N N   . THR A 1 152 ? 31.448  -29.625 8.122  1.000 51.737  ? 470 THR AAA N   1 ? 5  
ATOM   1125 C CA  . THR A 1 152 ? 31.048  -29.274 6.734  1.000 47.317  ? 470 THR AAA CA  1 ? 5  
ATOM   1126 C C   . THR A 1 152 ? 31.530  -30.372 5.794  1.000 50.893  ? 470 THR AAA C   1 ? 5  
ATOM   1127 O O   . THR A 1 152 ? 32.000  -30.054 4.693  1.000 60.014  ? 470 THR AAA O   1 ? 5  
ATOM   1128 C CB  . THR A 1 152 ? 31.593  -27.899 6.355  1.000 45.442  ? 470 THR AAA CB  1 ? 5  
ATOM   1129 O OG1 . THR A 1 152 ? 33.003  -28.006 6.520  1.000 42.381  ? 470 THR AAA OG1 1 ? 5  
ATOM   1130 C CG2 . THR A 1 152 ? 31.016  -26.770 7.181  1.000 42.258  ? 470 THR AAA CG2 1 ? 5  
ATOM   1131 N N   . GLU A 1 153 ? 31.419  -31.622 6.228  1.000 53.518  ? 471 GLU AAA N   1 ? 5  
ATOM   1132 C CA  . GLU A 1 153 ? 31.721  -32.807 5.399  1.000 53.935  ? 471 GLU AAA CA  1 ? 5  
ATOM   1133 C C   . GLU A 1 153 ? 30.627  -32.953 4.334  1.000 51.235  ? 471 GLU AAA C   1 ? 5  
ATOM   1134 O O   . GLU A 1 153 ? 29.429  -32.882 4.663  1.000 46.691  ? 471 GLU AAA O   1 ? 5  
ATOM   1135 C CB  . GLU A 1 153 ? 31.859  -34.041 6.296  1.000 61.092  ? 471 GLU AAA CB  1 ? 5  
ATOM   1136 C CG  . GLU A 1 153 ? 33.270  -34.217 6.841  1.000 79.629  ? 471 GLU AAA CG  1 ? 5  
ATOM   1137 C CD  . GLU A 1 153 ? 33.386  -34.913 8.190  1.000 93.743  ? 471 GLU AAA CD  1 ? 5  
ATOM   1138 O OE1 . GLU A 1 153 ? 33.972  -34.300 9.125  1.000 101.317 ? 471 GLU AAA OE1 1 ? 5  
ATOM   1139 O OE2 . GLU A 1 153 ? 32.893  -36.065 8.310  1.000 95.992  ? 471 GLU AAA OE2 1 ? 5  
ATOM   1140 N N   . ILE A 1 154 ? 31.037  -33.211 3.095  1.000 51.950  ? 472 ILE AAA N   1 ? 5  
ATOM   1141 C CA  . ILE A 1 154 ? 30.125  -33.558 1.964  1.000 50.746  ? 472 ILE AAA CA  1 ? 5  
ATOM   1142 C C   . ILE A 1 154 ? 29.224  -34.718 2.404  1.000 48.840  ? 472 ILE AAA C   1 ? 5  
ATOM   1143 O O   . ILE A 1 154 ? 29.749  -35.752 2.818  1.000 51.311  ? 472 ILE AAA O   1 ? 5  
ATOM   1144 C CB  . ILE A 1 154 ? 30.934  -33.883 0.694  1.000 50.952  ? 472 ILE AAA CB  1 ? 5  
ATOM   1145 C CG1 . ILE A 1 154 ? 31.873  -32.736 0.312  1.000 52.840  ? 472 ILE AAA CG1 1 ? 5  
ATOM   1146 C CG2 . ILE A 1 154 ? 30.009  -34.246 -0.450 1.000 51.887  ? 472 ILE AAA CG2 1 ? 5  
ATOM   1147 C CD1 . ILE A 1 154 ? 31.252  -31.360 0.433  1.000 52.157  ? 472 ILE AAA CD1 1 ? 5  
ATOM   1148 N N   . TYR A 1 155 ? 27.910  -34.535 2.314  1.000 47.524  ? 473 TYR AAA N   1 ? 5  
ATOM   1149 C CA  . TYR A 1 155 ? 26.883  -35.509 2.745  1.000 47.904  ? 473 TYR AAA CA  1 ? 5  
ATOM   1150 C C   . TYR A 1 155 ? 26.616  -36.476 1.601  1.000 57.304  ? 473 TYR AAA C   1 ? 5  
ATOM   1151 O O   . TYR A 1 155 ? 26.213  -36.036 0.499  1.000 59.568  ? 473 TYR AAA O   1 ? 5  
ATOM   1152 C CB  . TYR A 1 155 ? 25.613  -34.772 3.145  1.000 47.479  ? 473 TYR AAA CB  1 ? 5  
ATOM   1153 C CG  . TYR A 1 155 ? 24.425  -35.635 3.474  1.000 49.032  ? 473 TYR AAA CG  1 ? 5  
ATOM   1154 C CD1 . TYR A 1 155 ? 24.227  -36.138 4.750  1.000 49.095  ? 473 TYR AAA CD1 1 ? 5  
ATOM   1155 C CD2 . TYR A 1 155 ? 23.453  -35.886 2.522  1.000 51.813  ? 473 TYR AAA CD2 1 ? 5  
ATOM   1156 C CE1 . TYR A 1 155 ? 23.112  -36.910 5.050  1.000 51.561  ? 473 TYR AAA CE1 1 ? 5  
ATOM   1157 C CE2 . TYR A 1 155 ? 22.320  -36.629 2.812  1.000 52.860  ? 473 TYR AAA CE2 1 ? 5  
ATOM   1158 C CZ  . TYR A 1 155 ? 22.151  -37.149 4.081  1.000 54.389  ? 473 TYR AAA CZ  1 ? 5  
ATOM   1159 O OH  . TYR A 1 155 ? 21.036  -37.889 4.346  1.000 56.890  ? 473 TYR AAA OH  1 ? 5  
ATOM   1160 N N   . GLN A 1 156 ? 26.858  -37.757 1.863  1.000 57.404  ? 474 GLN AAA N   1 ? 5  
ATOM   1161 C CA  . GLN A 1 156 ? 26.596  -38.876 0.934  1.000 60.992  ? 474 GLN AAA CA  1 ? 5  
ATOM   1162 C C   . GLN A 1 156 ? 25.110  -39.239 0.988  1.000 66.499  ? 474 GLN AAA C   1 ? 5  
ATOM   1163 O O   . GLN A 1 156 ? 24.696  -39.907 1.957  1.000 69.954  ? 474 GLN AAA O   1 ? 5  
ATOM   1164 C CB  . GLN A 1 156 ? 27.486  -40.049 1.327  1.000 63.535  ? 474 GLN AAA CB  1 ? 5  
ATOM   1165 C CG  . GLN A 1 156 ? 27.415  -41.185 0.335  1.000 67.756  ? 474 GLN AAA CG  1 ? 5  
ATOM   1166 C CD  . GLN A 1 156 ? 28.290  -42.322 0.780  1.000 70.297  ? 474 GLN AAA CD  1 ? 5  
ATOM   1167 O OE1 . GLN A 1 156 ? 29.442  -42.129 1.169  1.000 70.427  ? 474 GLN AAA OE1 1 ? 5  
ATOM   1168 N NE2 . GLN A 1 156 ? 27.735  -43.516 0.701  1.000 68.773  ? 474 GLN AAA NE2 1 ? 5  
ATOM   1169 N N   . ALA A 1 157 ? 24.345  -38.794 -0.012 1.000 71.978  ? 475 ALA AAA N   1 ? 5  
ATOM   1170 C CA  . ALA A 1 157 ? 22.888  -39.029 -0.157 1.000 72.779  ? 475 ALA AAA CA  1 ? 5  
ATOM   1171 C C   . ALA A 1 157 ? 22.650  -40.418 -0.756 1.000 78.327  ? 475 ALA AAA C   1 ? 5  
ATOM   1172 O O   . ALA A 1 157 ? 21.699  -41.092 -0.325 1.000 83.506  ? 475 ALA AAA O   1 ? 5  
ATOM   1173 C CB  . ALA A 1 157 ? 22.279  -37.950 -1.017 1.000 70.026  ? 475 ALA AAA CB  1 ? 5  
ATOM   1174 N N   . GLY A 1 158 ? 23.504  -40.820 -1.702 1.000 83.349  ? 476 GLY AAA N   1 ? 5  
ATOM   1175 C CA  . GLY A 1 158 ? 23.391  -42.071 -2.474 1.000 84.640  ? 476 GLY AAA CA  1 ? 5  
ATOM   1176 C C   . GLY A 1 158 ? 24.313  -43.148 -1.932 1.000 86.306  ? 476 GLY AAA C   1 ? 5  
ATOM   1177 O O   . GLY A 1 158 ? 24.718  -43.048 -0.749 1.000 84.059  ? 476 GLY AAA O   1 ? 5  
ATOM   1178 N N   . SER A 1 159 ? 24.631  -44.144 -2.763 1.000 87.471  ? 477 SER AAA N   1 ? 5  
ATOM   1179 C CA  . SER A 1 159 ? 25.444  -45.328 -2.379 1.000 91.397  ? 477 SER AAA CA  1 ? 5  
ATOM   1180 C C   . SER A 1 159 ? 26.899  -45.155 -2.837 1.000 91.297  ? 477 SER AAA C   1 ? 5  
ATOM   1181 O O   . SER A 1 159 ? 27.741  -45.930 -2.351 1.000 92.775  ? 477 SER AAA O   1 ? 5  
ATOM   1182 C CB  . SER A 1 159 ? 24.838  -46.602 -2.907 1.000 92.848  ? 477 SER AAA CB  1 ? 5  
ATOM   1183 O OG  . SER A 1 159 ? 24.348  -46.406 -4.221 1.000 94.472  ? 477 SER AAA OG  1 ? 5  
ATOM   1184 N N   . THR A 1 160 ? 27.198  -44.185 -3.713 1.000 85.292  ? 478 THR AAA N   1 ? 5  
ATOM   1185 C CA  . THR A 1 160 ? 28.595  -43.870 -4.113 1.000 84.018  ? 478 THR AAA CA  1 ? 5  
ATOM   1186 C C   . THR A 1 160 ? 29.180  -42.907 -3.077 1.000 77.204  ? 478 THR AAA C   1 ? 5  
ATOM   1187 O O   . THR A 1 160 ? 28.559  -41.909 -2.711 1.000 67.927  ? 478 THR AAA O   1 ? 5  
ATOM   1188 C CB  . THR A 1 160 ? 28.705  -43.367 -5.563 1.000 87.229  ? 478 THR AAA CB  1 ? 5  
ATOM   1189 O OG1 . THR A 1 160 ? 28.209  -42.029 -5.629 1.000 83.706  ? 478 THR AAA OG1 1 ? 5  
ATOM   1190 C CG2 . THR A 1 160 ? 27.979  -44.245 -6.562 1.000 89.947  ? 478 THR AAA CG2 1 ? 5  
ATOM   1191 N N   . PRO A 1 161 ? 30.385  -43.203 -2.539 1.000 77.890  ? 479 PRO AAA N   1 ? 5  
ATOM   1192 C CA  . PRO A 1 161 ? 31.060  -42.291 -1.617 1.000 73.225  ? 479 PRO AAA CA  1 ? 5  
ATOM   1193 C C   . PRO A 1 161 ? 31.543  -41.006 -2.305 1.000 68.828  ? 479 PRO AAA C   1 ? 5  
ATOM   1194 O O   . PRO A 1 161 ? 31.897  -41.049 -3.463 1.000 72.290  ? 479 PRO AAA O   1 ? 5  
ATOM   1195 C CB  . PRO A 1 161 ? 32.252  -43.096 -1.079 1.000 75.289  ? 479 PRO AAA CB  1 ? 5  
ATOM   1196 C CG  . PRO A 1 161 ? 32.482  -44.195 -2.110 1.000 78.437  ? 479 PRO AAA CG  1 ? 5  
ATOM   1197 C CD  . PRO A 1 161 ? 31.140  -44.450 -2.762 1.000 78.725  ? 479 PRO AAA CD  1 ? 5  
ATOM   1198 N N   . CYS A 1 162 ? 31.582  -39.912 -1.548 1.000 61.838  ? 480 CYS AAA N   1 ? 5  
ATOM   1199 C CA  . CYS A 1 162 ? 31.869  -38.546 -2.040 1.000 60.926  ? 480 CYS AAA CA  1 ? 5  
ATOM   1200 C C   . CYS A 1 162 ? 33.380  -38.260 -2.075 1.000 63.871  ? 480 CYS AAA C   1 ? 5  
ATOM   1201 O O   . CYS A 1 162 ? 33.828  -37.625 -3.062 1.000 64.201  ? 480 CYS AAA O   1 ? 5  
ATOM   1202 C CB  . CYS A 1 162 ? 31.089  -37.558 -1.191 1.000 58.480  ? 480 CYS AAA CB  1 ? 5  
ATOM   1203 S SG  . CYS A 1 162 ? 29.313  -37.920 -1.241 1.000 59.663  ? 480 CYS AAA SG  1 ? 5  
ATOM   1204 N N   . ASN A 1 163 ? 34.139  -38.678 -1.056 1.000 62.316  ? 481 ASN AAA N   1 ? 5  
ATOM   1205 C CA  . ASN A 1 163 ? 35.605  -38.435 -0.959 1.000 62.212  ? 481 ASN AAA CA  1 ? 5  
ATOM   1206 C C   . ASN A 1 163 ? 35.892  -36.931 -1.111 1.000 60.351  ? 481 ASN AAA C   1 ? 5  
ATOM   1207 O O   . ASN A 1 163 ? 36.904  -36.586 -1.758 1.000 64.868  ? 481 ASN AAA O   1 ? 5  
ATOM   1208 C CB  . ASN A 1 163 ? 36.372  -39.237 -2.013 1.000 65.818  ? 481 ASN AAA CB  1 ? 5  
ATOM   1209 C CG  . ASN A 1 163 ? 36.169  -40.735 -1.911 1.000 70.455  ? 481 ASN AAA CG  1 ? 5  
ATOM   1210 O OD1 . ASN A 1 163 ? 35.836  -41.262 -0.858 1.000 68.935  ? 481 ASN AAA OD1 1 ? 5  
ATOM   1211 N ND2 . ASN A 1 163 ? 36.379  -41.439 -3.008 1.000 75.344  ? 481 ASN AAA ND2 1 ? 5  
ATOM   1212 N N   . GLY A 1 164 ? 35.006  -36.068 -0.597 1.000 56.189  ? 482 GLY AAA N   1 ? 5  
ATOM   1213 C CA  . GLY A 1 164 ? 35.189  -34.600 -0.556 1.000 55.971  ? 482 GLY AAA CA  1 ? 5  
ATOM   1214 C C   . GLY A 1 164 ? 34.851  -33.892 -1.863 1.000 56.497  ? 482 GLY AAA C   1 ? 5  
ATOM   1215 O O   . GLY A 1 164 ? 35.013  -32.658 -1.937 1.000 56.690  ? 482 GLY AAA O   1 ? 5  
ATOM   1216 N N   . VAL A 1 165 ? 34.412  -34.632 -2.880 1.000 60.150  ? 483 VAL AAA N   1 ? 5  
ATOM   1217 C CA  . VAL A 1 165 ? 33.990  -34.081 -4.203 1.000 54.428  ? 483 VAL AAA CA  1 ? 5  
ATOM   1218 C C   . VAL A 1 165 ? 32.475  -33.849 -4.150 1.000 50.880  ? 483 VAL AAA C   1 ? 5  
ATOM   1219 O O   . VAL A 1 165 ? 31.750  -34.805 -3.950 1.000 49.941  ? 483 VAL AAA O   1 ? 5  
ATOM   1220 C CB  . VAL A 1 165 ? 34.375  -35.051 -5.327 1.000 56.652  ? 483 VAL AAA CB  1 ? 5  
ATOM   1221 C CG1 . VAL A 1 165 ? 34.021  -34.485 -6.694 1.000 60.021  ? 483 VAL AAA CG1 1 ? 5  
ATOM   1222 C CG2 . VAL A 1 165 ? 35.844  -35.425 -5.256 1.000 57.316  ? 483 VAL AAA CG2 1 ? 5  
ATOM   1223 N N   . GLU A 1 166 ? 32.013  -32.612 -4.285 1.000 50.347  ? 484 GLU AAA N   1 ? 5  
ATOM   1224 C CA  . GLU A 1 166 ? 30.570  -32.338 -4.481 1.000 50.172  ? 484 GLU AAA CA  1 ? 5  
ATOM   1225 C C   . GLU A 1 166 ? 30.160  -32.944 -5.836 1.000 55.426  ? 484 GLU AAA C   1 ? 5  
ATOM   1226 O O   . GLU A 1 166 ? 30.989  -32.943 -6.777 1.000 55.133  ? 484 GLU AAA O   1 ? 5  
ATOM   1227 C CB  . GLU A 1 166 ? 30.302  -30.839 -4.450 1.000 49.968  ? 484 GLU AAA CB  1 ? 5  
ATOM   1228 C CG  . GLU A 1 166 ? 30.552  -30.190 -3.108 1.000 50.203  ? 484 GLU AAA CG  1 ? 5  
ATOM   1229 C CD  . GLU A 1 166 ? 30.329  -28.688 -3.091 1.000 48.483  ? 484 GLU AAA CD  1 ? 5  
ATOM   1230 O OE1 . GLU A 1 166 ? 30.211  -28.093 -4.163 1.000 50.755  ? 484 GLU AAA OE1 1 ? 5  
ATOM   1231 O OE2 . GLU A 1 166 ? 30.258  -28.126 -2.000 1.000 50.870  ? 484 GLU AAA OE2 1 ? 5  
ATOM   1232 N N   . GLY A 1 167 ? 28.946  -33.484 -5.926 1.000 54.151  ? 485 GLY AAA N   1 ? 5  
ATOM   1233 C CA  . GLY A 1 167 ? 28.384  -33.998 -7.185 1.000 58.835  ? 485 GLY AAA CA  1 ? 5  
ATOM   1234 C C   . GLY A 1 167 ? 26.923  -34.335 -6.994 1.000 61.504  ? 485 GLY AAA C   1 ? 5  
ATOM   1235 O O   . GLY A 1 167 ? 26.327  -33.853 -6.015 1.000 56.635  ? 485 GLY AAA O   1 ? 5  
ATOM   1236 N N   . PHE A 1 168 ? 26.371  -35.139 -7.891 1.000 68.803  ? 486 PHE AAA N   1 ? 5  
ATOM   1237 C CA  . PHE A 1 168 ? 25.037  -35.761 -7.728 1.000 75.984  ? 486 PHE AAA CA  1 ? 5  
ATOM   1238 C C   . PHE A 1 168 ? 25.102  -36.618 -6.459 1.000 70.979  ? 486 PHE AAA C   1 ? 5  
ATOM   1239 O O   . PHE A 1 168 ? 26.072  -37.395 -6.298 1.000 68.600  ? 486 PHE AAA O   1 ? 5  
ATOM   1240 C CB  . PHE A 1 168 ? 24.678  -36.539 -9.004 1.000 86.341  ? 486 PHE AAA CB  1 ? 5  
ATOM   1241 C CG  . PHE A 1 168 ? 23.496  -37.467 -8.870 1.000 95.926  ? 486 PHE AAA CG  1 ? 5  
ATOM   1242 C CD1 . PHE A 1 168 ? 22.259  -36.987 -8.453 1.000 99.037  ? 486 PHE AAA CD1 1 ? 5  
ATOM   1243 C CD2 . PHE A 1 168 ? 23.619  -38.822 -9.159 1.000 104.736 ? 486 PHE AAA CD2 1 ? 5  
ATOM   1244 C CE1 . PHE A 1 168 ? 21.171  -37.841 -8.325 1.000 101.988 ? 486 PHE AAA CE1 1 ? 5  
ATOM   1245 C CE2 . PHE A 1 168 ? 22.529  -39.674 -9.033 1.000 106.494 ? 486 PHE AAA CE2 1 ? 5  
ATOM   1246 C CZ  . PHE A 1 168 ? 21.308  -39.181 -8.620 1.000 107.120 ? 486 PHE AAA CZ  1 ? 5  
ATOM   1247 N N   . ASN A 1 169 ? 24.129  -36.453 -5.566 1.000 71.043  ? 487 ASN AAA N   1 ? 5  
ATOM   1248 C CA  . ASN A 1 169 ? 24.026  -37.235 -4.303 1.000 74.811  ? 487 ASN AAA CA  1 ? 5  
ATOM   1249 C C   . ASN A 1 169 ? 25.280  -37.035 -3.431 1.000 68.996  ? 487 ASN AAA C   1 ? 5  
ATOM   1250 O O   . ASN A 1 169 ? 25.570  -37.935 -2.611 1.000 67.394  ? 487 ASN AAA O   1 ? 5  
ATOM   1251 C CB  . ASN A 1 169 ? 23.818  -38.734 -4.575 1.000 84.851  ? 487 ASN AAA CB  1 ? 5  
ATOM   1252 C CG  . ASN A 1 169 ? 22.402  -39.112 -4.975 1.000 95.194  ? 487 ASN AAA CG  1 ? 5  
ATOM   1253 O OD1 . ASN A 1 169 ? 22.183  -40.181 -5.543 1.000 99.562  ? 487 ASN AAA OD1 1 ? 5  
ATOM   1254 N ND2 . ASN A 1 169 ? 21.432  -38.258 -4.681 1.000 97.566  ? 487 ASN AAA ND2 1 ? 5  
ATOM   1255 N N   . CYS A 1 170 ? 26.010  -35.925 -3.596 1.000 57.636  ? 488 CYS AAA N   1 ? 5  
ATOM   1256 C CA  . CYS A 1 170 ? 27.186  -35.569 -2.759 1.000 51.713  ? 488 CYS AAA CA  1 ? 5  
ATOM   1257 C C   . CYS A 1 170 ? 27.117  -34.065 -2.446 1.000 46.701  ? 488 CYS AAA C   1 ? 5  
ATOM   1258 O O   . CYS A 1 170 ? 27.630  -33.284 -3.205 1.000 48.024  ? 488 CYS AAA O   1 ? 5  
ATOM   1259 C CB  . CYS A 1 170 ? 28.478  -35.997 -3.446 1.000 51.018  ? 488 CYS AAA CB  1 ? 5  
ATOM   1260 S SG  . CYS A 1 170 ? 28.844  -37.776 -3.312 1.000 56.580  ? 488 CYS AAA SG  1 ? 5  
ATOM   1261 N N   . TYR A 1 171 ? 26.499  -33.684 -1.339 1.000 45.113  ? 489 TYR AAA N   1 ? 5  
ATOM   1262 C CA  . TYR A 1 171 ? 26.038  -32.299 -1.077 1.000 46.297  ? 489 TYR AAA CA  1 ? 5  
ATOM   1263 C C   . TYR A 1 171 ? 26.828  -31.662 0.060  1.000 43.208  ? 489 TYR AAA C   1 ? 5  
ATOM   1264 O O   . TYR A 1 171 ? 27.053  -32.297 1.080  1.000 45.582  ? 489 TYR AAA O   1 ? 5  
ATOM   1265 C CB  . TYR A 1 171 ? 24.550  -32.277 -0.712 1.000 46.713  ? 489 TYR AAA CB  1 ? 5  
ATOM   1266 C CG  . TYR A 1 171 ? 23.668  -32.965 -1.722 1.000 49.624  ? 489 TYR AAA CG  1 ? 5  
ATOM   1267 C CD1 . TYR A 1 171 ? 23.772  -32.670 -3.071 1.000 53.732  ? 489 TYR AAA CD1 1 ? 5  
ATOM   1268 C CD2 . TYR A 1 171 ? 22.748  -33.926 -1.337 1.000 51.731  ? 489 TYR AAA CD2 1 ? 5  
ATOM   1269 C CE1 . TYR A 1 171 ? 22.986  -33.323 -4.011 1.000 57.782  ? 489 TYR AAA CE1 1 ? 5  
ATOM   1270 C CE2 . TYR A 1 171 ? 21.943  -34.575 -2.258 1.000 52.966  ? 489 TYR AAA CE2 1 ? 5  
ATOM   1271 C CZ  . TYR A 1 171 ? 22.064  -34.272 -3.601 1.000 57.512  ? 489 TYR AAA CZ  1 ? 5  
ATOM   1272 O OH  . TYR A 1 171 ? 21.287  -34.914 -4.518 1.000 65.995  ? 489 TYR AAA OH  1 ? 5  
ATOM   1273 N N   . PHE A 1 172 ? 27.198  -30.403 -0.127 1.000 41.536  ? 490 PHE AAA N   1 ? 5  
ATOM   1274 C CA  . PHE A 1 172 ? 27.535  -29.494 0.971  1.000 41.373  ? 490 PHE AAA CA  1 ? 5  
ATOM   1275 C C   . PHE A 1 172 ? 26.343  -29.540 1.927  1.000 42.464  ? 490 PHE AAA C   1 ? 5  
ATOM   1276 O O   . PHE A 1 172 ? 25.217  -29.402 1.492  1.000 46.667  ? 490 PHE AAA O   1 ? 5  
ATOM   1277 C CB  . PHE A 1 172 ? 27.862  -28.088 0.465  1.000 41.250  ? 490 PHE AAA CB  1 ? 5  
ATOM   1278 C CG  . PHE A 1 172 ? 28.592  -27.269 1.507  1.000 42.532  ? 490 PHE AAA CG  1 ? 5  
ATOM   1279 C CD1 . PHE A 1 172 ? 29.902  -27.575 1.860  1.000 45.517  ? 490 PHE AAA CD1 1 ? 5  
ATOM   1280 C CD2 . PHE A 1 172 ? 27.949  -26.262 2.200  1.000 39.716  ? 490 PHE AAA CD2 1 ? 5  
ATOM   1281 C CE1 . PHE A 1 172 ? 30.566  -26.854 2.845  1.000 45.310  ? 490 PHE AAA CE1 1 ? 5  
ATOM   1282 C CE2 . PHE A 1 172 ? 28.622  -25.523 3.163  1.000 42.875  ? 490 PHE AAA CE2 1 ? 5  
ATOM   1283 C CZ  . PHE A 1 172 ? 29.931  -25.814 3.476  1.000 42.065  ? 490 PHE AAA CZ  1 ? 5  
ATOM   1284 N N   . PRO A 1 173 ? 26.535  -29.784 3.238  1.000 40.532  ? 491 PRO AAA N   1 ? 5  
ATOM   1285 C CA  . PRO A 1 173 ? 25.411  -30.040 4.134  1.000 39.622  ? 491 PRO AAA CA  1 ? 5  
ATOM   1286 C C   . PRO A 1 173 ? 24.691  -28.791 4.655  1.000 39.820  ? 491 PRO AAA C   1 ? 5  
ATOM   1287 O O   . PRO A 1 173 ? 23.635  -28.945 5.252  1.000 41.767  ? 491 PRO AAA O   1 ? 5  
ATOM   1288 C CB  . PRO A 1 173 ? 26.062  -30.804 5.292  1.000 39.201  ? 491 PRO AAA CB  1 ? 5  
ATOM   1289 C CG  . PRO A 1 173 ? 27.492  -30.308 5.325  1.000 43.026  ? 491 PRO AAA CG  1 ? 5  
ATOM   1290 C CD  . PRO A 1 173 ? 27.840  -29.881 3.907  1.000 41.716  ? 491 PRO AAA CD  1 ? 5  
ATOM   1291 N N   . LEU A 1 174 ? 25.246  -27.599 4.427  1.000 37.715  ? 492 LEU AAA N   1 ? 5  
ATOM   1292 C CA  . LEU A 1 174 ? 24.642  -26.342 4.927  1.000 37.035  ? 492 LEU AAA CA  1 ? 5  
ATOM   1293 C C   . LEU A 1 174 ? 24.020  -25.630 3.745  1.000 39.902  ? 492 LEU AAA C   1 ? 5  
ATOM   1294 O O   . LEU A 1 174 ? 24.598  -25.700 2.647  1.000 39.975  ? 492 LEU AAA O   1 ? 5  
ATOM   1295 C CB  . LEU A 1 174 ? 25.682  -25.430 5.578  1.000 38.141  ? 492 LEU AAA CB  1 ? 5  
ATOM   1296 C CG  . LEU A 1 174 ? 26.574  -26.052 6.645  1.000 39.586  ? 492 LEU AAA CG  1 ? 5  
ATOM   1297 C CD1 . LEU A 1 174 ? 27.482  -24.983 7.252  1.000 40.781  ? 492 LEU AAA CD1 1 ? 5  
ATOM   1298 C CD2 . LEU A 1 174 ? 25.734  -26.716 7.711  1.000 37.888  ? 492 LEU AAA CD2 1 ? 5  
ATOM   1299 N N   . GLN A 1 175 ? 22.935  -24.913 4.002  1.000 39.051  ? 493 GLN AAA N   1 ? 5  
ATOM   1300 C CA  . GLN A 1 175 ? 22.275  -24.056 2.997  1.000 42.786  ? 493 GLN AAA CA  1 ? 5  
ATOM   1301 C C   . GLN A 1 175 ? 22.048  -22.686 3.631  1.000 43.299  ? 493 GLN AAA C   1 ? 5  
ATOM   1302 O O   . GLN A 1 175 ? 21.853  -22.610 4.872  1.000 40.413  ? 493 GLN AAA O   1 ? 5  
ATOM   1303 C CB  . GLN A 1 175 ? 20.968  -24.703 2.522  1.000 46.592  ? 493 GLN AAA CB  1 ? 5  
ATOM   1304 C CG  . GLN A 1 175 ? 20.230  -23.889 1.463  1.000 49.853  ? 493 GLN AAA CG  1 ? 5  
ATOM   1305 C CD  . GLN A 1 175 ? 21.025  -23.736 0.187  1.000 49.928  ? 493 GLN AAA CD  1 ? 5  
ATOM   1306 O OE1 . GLN A 1 175 ? 21.987  -22.963 0.089  1.000 43.820  ? 493 GLN AAA OE1 1 ? 5  
ATOM   1307 N NE2 . GLN A 1 175 ? 20.624  -24.505 -0.805 1.000 49.417  ? 493 GLN AAA NE2 1 ? 5  
ATOM   1308 N N   . SER A 1 176 ? 22.077  -21.642 2.805  1.000 39.994  ? 494 SER AAA N   1 ? 5  
ATOM   1309 C CA  . SER A 1 176 ? 21.772  -20.259 3.236  1.000 40.406  ? 494 SER AAA CA  1 ? 5  
ATOM   1310 C C   . SER A 1 176 ? 20.261  -20.038 3.212  1.000 42.173  ? 494 SER AAA C   1 ? 5  
ATOM   1311 O O   . SER A 1 176 ? 19.574  -20.527 2.289  1.000 45.257  ? 494 SER AAA O   1 ? 5  
ATOM   1312 C CB  . SER A 1 176 ? 22.489  -19.256 2.389  1.000 39.731  ? 494 SER AAA CB  1 ? 5  
ATOM   1313 O OG  . SER A 1 176 ? 22.189  -19.480 1.039  1.000 47.169  ? 494 SER AAA OG  1 ? 5  
ATOM   1314 N N   . TYR A 1 177 ? 19.747  -19.372 4.238  1.000 44.917  ? 495 TYR AAA N   1 ? 5  
ATOM   1315 C CA  . TYR A 1 177 ? 18.483  -18.616 4.130  1.000 46.707  ? 495 TYR AAA CA  1 ? 5  
ATOM   1316 C C   . TYR A 1 177 ? 18.769  -17.485 3.148  1.000 47.909  ? 495 TYR AAA C   1 ? 5  
ATOM   1317 O O   . TYR A 1 177 ? 19.897  -16.946 3.123  1.000 52.822  ? 495 TYR AAA O   1 ? 5  
ATOM   1318 C CB  . TYR A 1 177 ? 18.074  -18.016 5.471  1.000 43.574  ? 495 TYR AAA CB  1 ? 5  
ATOM   1319 C CG  . TYR A 1 177 ? 17.728  -19.012 6.541  1.000 42.674  ? 495 TYR AAA CG  1 ? 5  
ATOM   1320 C CD1 . TYR A 1 177 ? 16.542  -19.737 6.503  1.000 44.959  ? 495 TYR AAA CD1 1 ? 5  
ATOM   1321 C CD2 . TYR A 1 177 ? 18.581  -19.208 7.605  1.000 38.908  ? 495 TYR AAA CD2 1 ? 5  
ATOM   1322 C CE1 . TYR A 1 177 ? 16.218  -20.637 7.508  1.000 41.168  ? 495 TYR AAA CE1 1 ? 5  
ATOM   1323 C CE2 . TYR A 1 177 ? 18.266  -20.087 8.621  1.000 39.769  ? 495 TYR AAA CE2 1 ? 5  
ATOM   1324 C CZ  . TYR A 1 177 ? 17.080  -20.788 8.581  1.000 41.903  ? 495 TYR AAA CZ  1 ? 5  
ATOM   1325 O OH  . TYR A 1 177 ? 16.822  -21.656 9.592  1.000 39.689  ? 495 TYR AAA OH  1 ? 5  
ATOM   1326 N N   . GLY A 1 178 ? 17.810  -17.103 2.341  1.000 43.663  ? 496 GLY AAA N   1 ? 5  
ATOM   1327 C CA  . GLY A 1 178 ? 18.074  -15.900 1.527  1.000 51.007  ? 496 GLY AAA CA  1 ? 5  
ATOM   1328 C C   . GLY A 1 178 ? 17.214  -14.758 1.994  1.000 50.355  ? 496 GLY AAA C   1 ? 5  
ATOM   1329 O O   . GLY A 1 178 ? 16.187  -14.538 1.360  1.000 67.847  ? 496 GLY AAA O   1 ? 5  
ATOM   1330 N N   . PHE A 1 179 ? 17.561  -14.109 3.103  1.000 47.586  ? 497 PHE AAA N   1 ? 5  
ATOM   1331 C CA  . PHE A 1 179 ? 16.653  -13.144 3.773  1.000 47.712  ? 497 PHE AAA CA  1 ? 5  
ATOM   1332 C C   . PHE A 1 179 ? 16.588  -11.861 2.938  1.000 49.932  ? 497 PHE AAA C   1 ? 5  
ATOM   1333 O O   . PHE A 1 179 ? 17.608  -11.183 2.775  1.000 47.821  ? 497 PHE AAA O   1 ? 5  
ATOM   1334 C CB  . PHE A 1 179 ? 17.087  -12.910 5.221  1.000 48.821  ? 497 PHE AAA CB  1 ? 5  
ATOM   1335 C CG  . PHE A 1 179 ? 16.878  -14.095 6.133  1.000 44.115  ? 497 PHE AAA CG  1 ? 5  
ATOM   1336 C CD1 . PHE A 1 179 ? 15.654  -14.730 6.208  1.000 43.128  ? 497 PHE AAA CD1 1 ? 5  
ATOM   1337 C CD2 . PHE A 1 179 ? 17.908  -14.568 6.917  1.000 42.378  ? 497 PHE AAA CD2 1 ? 5  
ATOM   1338 C CE1 . PHE A 1 179 ? 15.463  -15.822 7.040  1.000 47.407  ? 497 PHE AAA CE1 1 ? 5  
ATOM   1339 C CE2 . PHE A 1 179 ? 17.708  -15.633 7.779  1.000 40.607  ? 497 PHE AAA CE2 1 ? 5  
ATOM   1340 C CZ  . PHE A 1 179 ? 16.490  -16.264 7.839  1.000 43.538  ? 497 PHE AAA CZ  1 ? 5  
ATOM   1341 N N   . GLN A 1 180 ? 15.410  -11.568 2.394  1.000 52.414  ? 498 GLN AAA N   1 ? 5  
ATOM   1342 C CA  . GLN A 1 180 ? 15.093  -10.290 1.705  1.000 56.968  ? 498 GLN AAA CA  1 ? 5  
ATOM   1343 C C   . GLN A 1 180 ? 13.980  -9.597  2.479  1.000 54.831  ? 498 GLN AAA C   1 ? 5  
ATOM   1344 O O   . GLN A 1 180 ? 13.068  -10.243 2.992  1.000 52.372  ? 498 GLN AAA O   1 ? 5  
ATOM   1345 C CB  . GLN A 1 180 ? 14.663  -10.521 0.256  1.000 58.476  ? 498 GLN AAA CB  1 ? 5  
ATOM   1346 C CG  . GLN A 1 180 ? 15.718  -11.198 -0.602 1.000 64.410  ? 498 GLN AAA CG  1 ? 5  
ATOM   1347 C CD  . GLN A 1 180 ? 15.308  -11.260 -2.057 1.000 69.246  ? 498 GLN AAA CD  1 ? 5  
ATOM   1348 O OE1 . GLN A 1 180 ? 15.402  -10.280 -2.800 1.000 70.754  ? 498 GLN AAA OE1 1 ? 5  
ATOM   1349 N NE2 . GLN A 1 180 ? 14.811  -12.413 -2.463 1.000 68.103  ? 498 GLN AAA NE2 1 ? 5  
ATOM   1350 N N   . PRO A 1 181 ? 14.015  -8.253  2.582  1.000 55.393  ? 499 PRO AAA N   1 ? 5  
ATOM   1351 C CA  . PRO A 1 181 ? 13.046  -7.545  3.412  1.000 54.784  ? 499 PRO AAA CA  1 ? 5  
ATOM   1352 C C   . PRO A 1 181 ? 11.602  -7.660  2.894  1.000 58.958  ? 499 PRO AAA C   1 ? 5  
ATOM   1353 O O   . PRO A 1 181 ? 10.707  -7.436  3.672  1.000 59.609  ? 499 PRO AAA O   1 ? 5  
ATOM   1354 C CB  . PRO A 1 181 ? 13.586  -6.112  3.430  1.000 56.828  ? 499 PRO AAA CB  1 ? 5  
ATOM   1355 C CG  . PRO A 1 181 ? 14.441  -6.002  2.183  1.000 59.806  ? 499 PRO AAA CG  1 ? 5  
ATOM   1356 C CD  . PRO A 1 181 ? 15.013  -7.378  1.959  1.000 53.754  ? 499 PRO AAA CD  1 ? 5  
ATOM   1357 N N   . THR A 1 182 ? 11.415  -8.010  1.614  1.000 60.383  ? 500 THR AAA N   1 ? 5  
ATOM   1358 C CA  . THR A 1 182 ? 10.102  -8.183  0.929  1.000 61.407  ? 500 THR AAA CA  1 ? 5  
ATOM   1359 C C   . THR A 1 182 ? 9.636   -9.647  1.024  1.000 58.686  ? 500 THR AAA C   1 ? 5  
ATOM   1360 O O   . THR A 1 182 ? 8.604   -9.969  0.430  1.000 59.138  ? 500 THR AAA O   1 ? 5  
ATOM   1361 C CB  . THR A 1 182 ? 10.198  -7.744  -0.545 1.000 63.916  ? 500 THR AAA CB  1 ? 5  
ATOM   1362 O OG1 . THR A 1 182 ? 11.330  -8.411  -1.111 1.000 61.758  ? 500 THR AAA OG1 1 ? 5  
ATOM   1363 C CG2 . THR A 1 182 ? 10.364  -6.251  -0.723 1.000 65.570  ? 500 THR AAA CG2 1 ? 5  
ATOM   1364 N N   . ASN A 1 183 ? 10.363  -10.530 1.716  1.000 57.569  ? 501 ASN AAA N   1 ? 5  
ATOM   1365 C CA  . ASN A 1 183 ? 9.888   -11.924 1.938  1.000 54.958  ? 501 ASN AAA CA  1 ? 5  
ATOM   1366 C C   . ASN A 1 183 ? 8.559   -11.909 2.713  1.000 56.468  ? 501 ASN AAA C   1 ? 5  
ATOM   1367 O O   . ASN A 1 183 ? 8.315   -10.966 3.507  1.000 54.333  ? 501 ASN AAA O   1 ? 5  
ATOM   1368 C CB  . ASN A 1 183 ? 10.878  -12.776 2.716  1.000 54.754  ? 501 ASN AAA CB  1 ? 5  
ATOM   1369 C CG  . ASN A 1 183 ? 12.115  -13.174 1.945  1.000 53.597  ? 501 ASN AAA CG  1 ? 5  
ATOM   1370 O OD1 . ASN A 1 183 ? 13.077  -13.647 2.549  1.000 56.362  ? 501 ASN AAA OD1 1 ? 5  
ATOM   1371 N ND2 . ASN A 1 183 ? 12.106  -12.993 0.642  1.000 51.247  ? 501 ASN AAA ND2 1 ? 5  
ATOM   1372 N N   . GLY A 1 184 ? 7.712   -12.912 2.475  1.000 55.305  ? 502 GLY AAA N   1 ? 5  
ATOM   1373 C CA  . GLY A 1 184 ? 6.589   -13.222 3.374  1.000 57.666  ? 502 GLY AAA CA  1 ? 5  
ATOM   1374 C C   . GLY A 1 184 ? 7.129   -13.392 4.787  1.000 53.709  ? 502 GLY AAA C   1 ? 5  
ATOM   1375 O O   . GLY A 1 184 ? 8.282   -13.860 4.926  1.000 47.217  ? 502 GLY AAA O   1 ? 5  
ATOM   1376 N N   . VAL A 1 185 ? 6.357   -13.008 5.803  1.000 55.742  ? 503 VAL AAA N   1 ? 5  
ATOM   1377 C CA  . VAL A 1 185 ? 6.882   -12.886 7.195  1.000 55.706  ? 503 VAL AAA CA  1 ? 5  
ATOM   1378 C C   . VAL A 1 185 ? 7.304   -14.272 7.693  1.000 52.242  ? 503 VAL AAA C   1 ? 5  
ATOM   1379 O O   . VAL A 1 185 ? 8.220   -14.353 8.519  1.000 56.515  ? 503 VAL AAA O   1 ? 5  
ATOM   1380 C CB  . VAL A 1 185 ? 5.879   -12.194 8.132  1.000 58.828  ? 503 VAL AAA CB  1 ? 5  
ATOM   1381 C CG1 . VAL A 1 185 ? 6.393   -12.202 9.565  1.000 64.312  ? 503 VAL AAA CG1 1 ? 5  
ATOM   1382 C CG2 . VAL A 1 185 ? 5.603   -10.762 7.688  1.000 60.386  ? 503 VAL AAA CG2 1 ? 5  
ATOM   1383 N N   . GLY A 1 186 ? 6.699   -15.325 7.164  1.000 52.584  ? 504 GLY AAA N   1 ? 5  
ATOM   1384 C CA  . GLY A 1 186 ? 7.066   -16.719 7.470  1.000 54.734  ? 504 GLY AAA CA  1 ? 5  
ATOM   1385 C C   . GLY A 1 186 ? 8.489   -17.020 7.067  1.000 55.053  ? 504 GLY AAA C   1 ? 5  
ATOM   1386 O O   . GLY A 1 186 ? 9.108   -17.890 7.712  1.000 56.983  ? 504 GLY AAA O   1 ? 5  
ATOM   1387 N N   . TYR A 1 187 ? 8.992   -16.320 6.048  1.000 56.555  ? 505 TYR AAA N   1 ? 5  
ATOM   1388 C CA  . TYR A 1 187 ? 10.352  -16.511 5.481  1.000 55.995  ? 505 TYR AAA CA  1 ? 5  
ATOM   1389 C C   . TYR A 1 187 ? 11.282  -15.386 5.944  1.000 50.942  ? 505 TYR AAA C   1 ? 5  
ATOM   1390 O O   . TYR A 1 187 ? 12.448  -15.405 5.547  1.000 49.775  ? 505 TYR AAA O   1 ? 5  
ATOM   1391 C CB  . TYR A 1 187 ? 10.269  -16.617 3.956  1.000 62.308  ? 505 TYR AAA CB  1 ? 5  
ATOM   1392 C CG  . TYR A 1 187 ? 9.876   -17.993 3.477  1.000 70.622  ? 505 TYR AAA CG  1 ? 5  
ATOM   1393 C CD1 . TYR A 1 187 ? 8.544   -18.392 3.399  1.000 74.515  ? 505 TYR AAA CD1 1 ? 5  
ATOM   1394 C CD2 . TYR A 1 187 ? 10.851  -18.913 3.122  1.000 75.887  ? 505 TYR AAA CD2 1 ? 5  
ATOM   1395 C CE1 . TYR A 1 187 ? 8.198   -19.668 2.974  1.000 79.799  ? 505 TYR AAA CE1 1 ? 5  
ATOM   1396 C CE2 . TYR A 1 187 ? 10.524  -20.188 2.689  1.000 80.490  ? 505 TYR AAA CE2 1 ? 5  
ATOM   1397 C CZ  . TYR A 1 187 ? 9.194   -20.569 2.615  1.000 85.644  ? 505 TYR AAA CZ  1 ? 5  
ATOM   1398 O OH  . TYR A 1 187 ? 8.912   -21.839 2.193  1.000 87.249  ? 505 TYR AAA OH  1 ? 5  
ATOM   1399 N N   . GLN A 1 188 ? 10.787  -14.430 6.732  1.000 45.908  ? 506 GLN AAA N   1 ? 5  
ATOM   1400 C CA  . GLN A 1 188 ? 11.638  -13.361 7.327  1.000 47.282  ? 506 GLN AAA CA  1 ? 5  
ATOM   1401 C C   . GLN A 1 188 ? 12.462  -13.914 8.497  1.000 46.157  ? 506 GLN AAA C   1 ? 5  
ATOM   1402 O O   . GLN A 1 188 ? 12.069  -14.880 9.151  1.000 43.267  ? 506 GLN AAA O   1 ? 5  
ATOM   1403 C CB  . GLN A 1 188 ? 10.782  -12.168 7.736  1.000 49.662  ? 506 GLN AAA CB  1 ? 5  
ATOM   1404 C CG  . GLN A 1 188 ? 10.202  -11.399 6.563  1.000 46.645  ? 506 GLN AAA CG  1 ? 5  
ATOM   1405 C CD  . GLN A 1 188 ? 9.527   -10.139 7.027  1.000 48.829  ? 506 GLN AAA CD  1 ? 5  
ATOM   1406 O OE1 . GLN A 1 188 ? 9.629   -9.760  8.198  1.000 44.700  ? 506 GLN AAA OE1 1 ? 5  
ATOM   1407 N NE2 . GLN A 1 188 ? 8.832   -9.481  6.107  1.000 46.474  ? 506 GLN AAA NE2 1 ? 5  
ATOM   1408 N N   . PRO A 1 189 ? 13.667  -13.354 8.766  1.000 43.070  ? 507 PRO AAA N   1 ? 5  
ATOM   1409 C CA  . PRO A 1 189 ? 14.513  -13.825 9.860  1.000 39.108  ? 507 PRO AAA CA  1 ? 5  
ATOM   1410 C C   . PRO A 1 189 ? 13.914  -13.460 11.224 1.000 41.666  ? 507 PRO AAA C   1 ? 5  
ATOM   1411 O O   . PRO A 1 189 ? 13.295  -12.403 11.365 1.000 37.803  ? 507 PRO AAA O   1 ? 5  
ATOM   1412 C CB  . PRO A 1 189 ? 15.847  -13.106 9.653  1.000 37.694  ? 507 PRO AAA CB  1 ? 5  
ATOM   1413 C CG  . PRO A 1 189 ? 15.439  -11.830 8.957  1.000 44.540  ? 507 PRO AAA CG  1 ? 5  
ATOM   1414 C CD  . PRO A 1 189 ? 14.262  -12.206 8.072  1.000 44.680  ? 507 PRO AAA CD  1 ? 5  
ATOM   1415 N N   . TYR A 1 190 ? 14.050  -14.368 12.191 1.000 40.797  ? 508 TYR AAA N   1 ? 5  
ATOM   1416 C CA  . TYR A 1 190 ? 13.747  -14.089 13.620 1.000 41.351  ? 508 TYR AAA CA  1 ? 5  
ATOM   1417 C C   . TYR A 1 190 ? 15.008  -14.334 14.441 1.000 40.777  ? 508 TYR AAA C   1 ? 5  
ATOM   1418 O O   . TYR A 1 190 ? 15.690  -15.354 14.268 1.000 39.952  ? 508 TYR AAA O   1 ? 5  
ATOM   1419 C CB  . TYR A 1 190 ? 12.576  -14.931 14.118 1.000 42.245  ? 508 TYR AAA CB  1 ? 5  
ATOM   1420 C CG  . TYR A 1 190 ? 11.220  -14.408 13.717 1.000 45.223  ? 508 TYR AAA CG  1 ? 5  
ATOM   1421 C CD1 . TYR A 1 190 ? 10.889  -14.234 12.383 1.000 45.145  ? 508 TYR AAA CD1 1 ? 5  
ATOM   1422 C CD2 . TYR A 1 190 ? 10.253  -14.110 14.663 1.000 41.316  ? 508 TYR AAA CD2 1 ? 5  
ATOM   1423 C CE1 . TYR A 1 190 ? 9.649   -13.748 12.001 1.000 46.889  ? 508 TYR AAA CE1 1 ? 5  
ATOM   1424 C CE2 . TYR A 1 190 ? 9.009   -13.617 14.290 1.000 47.040  ? 508 TYR AAA CE2 1 ? 5  
ATOM   1425 C CZ  . TYR A 1 190 ? 8.700   -13.434 12.952 1.000 43.721  ? 508 TYR AAA CZ  1 ? 5  
ATOM   1426 O OH  . TYR A 1 190 ? 7.478   -12.948 12.568 1.000 43.848  ? 508 TYR AAA OH  1 ? 5  
ATOM   1427 N N   . ARG A 1 191 ? 15.304  -13.415 15.340 1.000 42.042  ? 509 ARG AAA N   1 ? 5  
ATOM   1428 C CA  . ARG A 1 191 ? 16.322  -13.655 16.380 1.000 40.637  ? 509 ARG AAA CA  1 ? 5  
ATOM   1429 C C   . ARG A 1 191 ? 15.687  -14.504 17.483 1.000 41.081  ? 509 ARG AAA C   1 ? 5  
ATOM   1430 O O   . ARG A 1 191 ? 14.545  -14.232 17.870 1.000 43.733  ? 509 ARG AAA O   1 ? 5  
ATOM   1431 C CB  . ARG A 1 191 ? 16.909  -12.313 16.808 1.000 43.491  ? 509 ARG AAA CB  1 ? 5  
ATOM   1432 C CG  . ARG A 1 191 ? 17.870  -11.778 15.762 1.000 40.305  ? 509 ARG AAA CG  1 ? 5  
ATOM   1433 C CD  . ARG A 1 191 ? 18.470  -10.439 16.082 1.000 42.151  ? 509 ARG AAA CD  1 ? 5  
ATOM   1434 N NE  . ARG A 1 191 ? 19.440  -10.169 15.041 1.000 40.679  ? 509 ARG AAA NE  1 ? 5  
ATOM   1435 C CZ  . ARG A 1 191 ? 20.442  -9.320  15.133 1.000 44.339  ? 509 ARG AAA CZ  1 ? 5  
ATOM   1436 N NH1 . ARG A 1 191 ? 20.611  -8.596  16.224 1.000 46.765  ? 509 ARG AAA NH1 1 ? 5  
ATOM   1437 N NH2 . ARG A 1 191 ? 21.261  -9.168  14.108 1.000 43.628  ? 509 ARG AAA NH2 1 ? 5  
ATOM   1438 N N   . VAL A 1 192 ? 16.416  -15.507 17.962 1.000 39.970  ? 510 VAL AAA N   1 ? 5  
ATOM   1439 C CA  . VAL A 1 192 ? 15.931  -16.390 19.051 1.000 40.205  ? 510 VAL AAA CA  1 ? 5  
ATOM   1440 C C   . VAL A 1 192 ? 16.916  -16.394 20.214 1.000 42.458  ? 510 VAL AAA C   1 ? 5  
ATOM   1441 O O   . VAL A 1 192 ? 18.129  -16.560 19.979 1.000 40.095  ? 510 VAL AAA O   1 ? 5  
ATOM   1442 C CB  . VAL A 1 192 ? 15.753  -17.809 18.516 1.000 44.453  ? 510 VAL AAA CB  1 ? 5  
ATOM   1443 C CG1 . VAL A 1 192 ? 15.298  -18.730 19.633 1.000 43.361  ? 510 VAL AAA CG1 1 ? 5  
ATOM   1444 C CG2 . VAL A 1 192 ? 14.803  -17.830 17.322 1.000 41.790  ? 510 VAL AAA CG2 1 ? 5  
ATOM   1445 N N   . VAL A 1 193 ? 16.410  -16.256 21.435 1.000 40.507  ? 511 VAL AAA N   1 ? 5  
ATOM   1446 C CA  . VAL A 1 193 ? 17.226  -16.470 22.662 1.000 45.804  ? 511 VAL AAA CA  1 ? 5  
ATOM   1447 C C   . VAL A 1 193 ? 16.520  -17.551 23.479 1.000 45.137  ? 511 VAL AAA C   1 ? 5  
ATOM   1448 O O   . VAL A 1 193 ? 15.326  -17.378 23.795 1.000 46.046  ? 511 VAL AAA O   1 ? 5  
ATOM   1449 C CB  . VAL A 1 193 ? 17.442  -15.164 23.460 1.000 48.255  ? 511 VAL AAA CB  1 ? 5  
ATOM   1450 C CG1 . VAL A 1 193 ? 18.151  -15.420 24.779 1.000 51.053  ? 511 VAL AAA CG1 1 ? 5  
ATOM   1451 C CG2 . VAL A 1 193 ? 18.209  -14.127 22.661 1.000 43.580  ? 511 VAL AAA CG2 1 ? 5  
ATOM   1452 N N   . VAL A 1 194 ? 17.236  -18.622 23.804 1.000 44.093  ? 512 VAL AAA N   1 ? 5  
ATOM   1453 C CA  . VAL A 1 194 ? 16.752  -19.724 24.682 1.000 43.514  ? 512 VAL AAA CA  1 ? 5  
ATOM   1454 C C   . VAL A 1 194 ? 17.506  -19.631 26.007 1.000 46.749  ? 512 VAL AAA C   1 ? 5  
ATOM   1455 O O   . VAL A 1 194 ? 18.766  -19.719 25.992 1.000 47.866  ? 512 VAL AAA O   1 ? 5  
ATOM   1456 C CB  . VAL A 1 194 ? 16.954  -21.085 23.998 1.000 45.138  ? 512 VAL AAA CB  1 ? 5  
ATOM   1457 C CG1 . VAL A 1 194 ? 16.463  -22.218 24.870 1.000 45.479  ? 512 VAL AAA CG1 1 ? 5  
ATOM   1458 C CG2 . VAL A 1 194 ? 16.282  -21.135 22.630 1.000 42.695  ? 512 VAL AAA CG2 1 ? 5  
ATOM   1459 N N   . LEU A 1 195 ? 16.761  -19.423 27.089 1.000 45.059  ? 513 LEU AAA N   1 ? 5  
ATOM   1460 C CA  . LEU A 1 195 ? 17.268  -19.342 28.484 1.000 48.961  ? 513 LEU AAA CA  1 ? 5  
ATOM   1461 C C   . LEU A 1 195 ? 17.019  -20.684 29.161 1.000 51.046  ? 513 LEU AAA C   1 ? 5  
ATOM   1462 O O   . LEU A 1 195 ? 15.838  -21.019 29.339 1.000 54.096  ? 513 LEU AAA O   1 ? 5  
ATOM   1463 C CB  . LEU A 1 195 ? 16.536  -18.235 29.254 1.000 50.446  ? 513 LEU AAA CB  1 ? 5  
ATOM   1464 C CG  . LEU A 1 195 ? 16.664  -16.822 28.681 1.000 52.205  ? 513 LEU AAA CG  1 ? 5  
ATOM   1465 C CD1 . LEU A 1 195 ? 15.969  -15.808 29.571 1.000 52.023  ? 513 LEU AAA CD1 1 ? 5  
ATOM   1466 C CD2 . LEU A 1 195 ? 18.131  -16.443 28.475 1.000 56.956  ? 513 LEU AAA CD2 1 ? 5  
ATOM   1467 N N   . SER A 1 196 ? 18.085  -21.419 29.482 1.000 52.923  ? 514 SER AAA N   1 ? 5  
ATOM   1468 C CA  . SER A 1 196 ? 18.059  -22.645 30.314 1.000 54.597  ? 514 SER AAA CA  1 ? 5  
ATOM   1469 C C   . SER A 1 196 ? 18.305  -22.253 31.767 1.000 62.071  ? 514 SER AAA C   1 ? 5  
ATOM   1470 O O   . SER A 1 196 ? 19.312  -21.569 32.055 1.000 60.020  ? 514 SER AAA O   1 ? 5  
ATOM   1471 C CB  . SER A 1 196 ? 19.068  -23.646 29.848 1.000 57.571  ? 514 SER AAA CB  1 ? 5  
ATOM   1472 O OG  . SER A 1 196 ? 18.674  -24.236 28.621 1.000 55.883  ? 514 SER AAA OG  1 ? 5  
ATOM   1473 N N   . PHE A 1 197 ? 17.384  -22.631 32.646 1.000 68.598  ? 515 PHE AAA N   1 ? 5  
ATOM   1474 C CA  . PHE A 1 197 ? 17.527  -22.501 34.117 1.000 70.894  ? 515 PHE AAA CA  1 ? 5  
ATOM   1475 C C   . PHE A 1 197 ? 18.009  -23.853 34.657 1.000 75.790  ? 515 PHE AAA C   1 ? 5  
ATOM   1476 O O   . PHE A 1 197 ? 17.279  -24.865 34.487 1.000 73.206  ? 515 PHE AAA O   1 ? 5  
ATOM   1477 C CB  . PHE A 1 197 ? 16.206  -22.019 34.719 1.000 73.748  ? 515 PHE AAA CB  1 ? 5  
ATOM   1478 C CG  . PHE A 1 197 ? 15.649  -20.772 34.071 1.000 72.993  ? 515 PHE AAA CG  1 ? 5  
ATOM   1479 C CD1 . PHE A 1 197 ? 16.439  -19.646 33.897 1.000 71.437  ? 515 PHE AAA CD1 1 ? 5  
ATOM   1480 C CD2 . PHE A 1 197 ? 14.335  -20.719 33.631 1.000 70.564  ? 515 PHE AAA CD2 1 ? 5  
ATOM   1481 C CE1 . PHE A 1 197 ? 15.933  -18.501 33.301 1.000 68.408  ? 515 PHE AAA CE1 1 ? 5  
ATOM   1482 C CE2 . PHE A 1 197 ? 13.834  -19.575 33.027 1.000 66.272  ? 515 PHE AAA CE2 1 ? 5  
ATOM   1483 C CZ  . PHE A 1 197 ? 14.631  -18.467 32.867 1.000 65.463  ? 515 PHE AAA CZ  1 ? 5  
ATOM   1484 N N   . GLU A 1 198 ? 19.218  -23.881 35.236 1.000 81.021  ? 516 GLU AAA N   1 ? 5  
ATOM   1485 C CA  . GLU A 1 198 ? 19.819  -25.099 35.850 1.000 87.664  ? 516 GLU AAA CA  1 ? 5  
ATOM   1486 C C   . GLU A 1 198 ? 19.626  -25.031 37.370 1.000 91.201  ? 516 GLU AAA C   1 ? 5  
ATOM   1487 O O   . GLU A 1 198 ? 19.849  -23.947 37.978 1.000 85.980  ? 516 GLU AAA O   1 ? 5  
ATOM   1488 C CB  . GLU A 1 198 ? 21.289  -25.273 35.448 1.000 92.843  ? 516 GLU AAA CB  1 ? 5  
ATOM   1489 C CG  . GLU A 1 198 ? 21.556  -25.253 33.927 1.000 94.396  ? 516 GLU AAA CG  1 ? 5  
ATOM   1490 C CD  . GLU A 1 198 ? 20.810  -26.232 33.014 1.000 89.656  ? 516 GLU AAA CD  1 ? 5  
ATOM   1491 O OE1 . GLU A 1 198 ? 20.677  -25.946 31.796 1.000 92.042  ? 516 GLU AAA OE1 1 ? 5  
ATOM   1492 O OE2 . GLU A 1 198 ? 20.383  -27.293 33.496 1.000 89.853  ? 516 GLU AAA OE2 1 ? 5  
ATOM   1493 N N   . LEU A 1 199 ? 19.144  -26.137 37.939 1.000 97.027  ? 517 LEU AAA N   1 ? 5  
ATOM   1494 C CA  . LEU A 1 199 ? 19.076  -26.388 39.405 1.000 108.829 ? 517 LEU AAA CA  1 ? 5  
ATOM   1495 C C   . LEU A 1 199 ? 19.737  -27.742 39.699 1.000 114.336 ? 517 LEU AAA C   1 ? 5  
ATOM   1496 O O   . LEU A 1 199 ? 19.287  -28.756 39.138 1.000 105.954 ? 517 LEU AAA O   1 ? 5  
ATOM   1497 C CB  . LEU A 1 199 ? 17.613  -26.380 39.871 1.000 108.816 ? 517 LEU AAA CB  1 ? 5  
ATOM   1498 C CG  . LEU A 1 199 ? 17.092  -25.093 40.518 1.000 109.596 ? 517 LEU AAA CG  1 ? 5  
ATOM   1499 C CD1 . LEU A 1 199 ? 15.728  -25.336 41.150 1.000 108.531 ? 517 LEU AAA CD1 1 ? 5  
ATOM   1500 C CD2 . LEU A 1 199 ? 18.055  -24.539 41.561 1.000 109.518 ? 517 LEU AAA CD2 1 ? 5  
ATOM   1501 N N   . LEU A 1 200 ? 20.783  -27.752 40.527 1.000 127.843 ? 518 LEU AAA N   1 ? 5  
ATOM   1502 C CA  . LEU A 1 200 ? 21.401  -28.993 41.069 1.000 143.979 ? 518 LEU AAA CA  1 ? 5  
ATOM   1503 C C   . LEU A 1 200 ? 21.955  -28.688 42.465 1.000 162.191 ? 518 LEU AAA C   1 ? 5  
ATOM   1504 O O   . LEU A 1 200 ? 22.001  -27.489 42.833 1.000 149.314 ? 518 LEU AAA O   1 ? 5  
ATOM   1505 C CB  . LEU A 1 200 ? 22.472  -29.525 40.102 1.000 144.156 ? 518 LEU AAA CB  1 ? 5  
ATOM   1506 C CG  . LEU A 1 200 ? 23.200  -28.496 39.230 1.000 141.829 ? 518 LEU AAA CG  1 ? 5  
ATOM   1507 C CD1 . LEU A 1 200 ? 24.365  -27.879 39.990 1.000 147.890 ? 518 LEU AAA CD1 1 ? 5  
ATOM   1508 C CD2 . LEU A 1 200 ? 23.692  -29.119 37.925 1.000 130.318 ? 518 LEU AAA CD2 1 ? 5  
ATOM   1509 N N   . HIS A 1 201 ? 22.301  -29.732 43.228 1.000 126.544 ? 519 HIS AAA N   1 ? ?  
ATOM   1510 C CA  . HIS A 1 201 ? 22.845  -29.619 44.610 1.000 133.148 ? 519 HIS AAA CA  1 ? ?  
ATOM   1511 C C   . HIS A 1 201 ? 24.149  -28.817 44.541 1.000 130.272 ? 519 HIS AAA C   1 ? ?  
ATOM   1512 O O   . HIS A 1 201 ? 25.209  -29.417 44.260 1.000 126.521 ? 519 HIS AAA O   1 ? ?  
ATOM   1513 C CB  . HIS A 1 201 ? 23.001  -30.998 45.274 1.000 129.551 ? 519 HIS AAA CB  1 ? ?  
ATOM   1514 C CG  . HIS A 1 201 ? 23.217  -30.929 46.751 1.000 141.457 ? 519 HIS AAA CG  1 ? ?  
ATOM   1515 N ND1 . HIS A 1 201 ? 24.446  -31.187 47.336 1.000 136.190 ? 519 HIS AAA ND1 1 ? ?  
ATOM   1516 C CD2 . HIS A 1 201 ? 22.375  -30.625 47.765 1.000 142.158 ? 519 HIS AAA CD2 1 ? ?  
ATOM   1517 C CE1 . HIS A 1 201 ? 24.349  -31.049 48.643 1.000 125.307 ? 519 HIS AAA CE1 1 ? ?  
ATOM   1518 N NE2 . HIS A 1 201 ? 23.087  -30.705 48.933 1.000 134.187 ? 519 HIS AAA NE2 1 ? ?  
ATOM   1519 N N   . ALA A 1 202 ? 24.036  -27.502 44.753 1.000 112.685 ? 520 ALA AAA N   1 ? ?  
ATOM   1520 C CA  . ALA A 1 202 ? 25.103  -26.484 44.607 1.000 107.077 ? 520 ALA AAA CA  1 ? ?  
ATOM   1521 C C   . ALA A 1 202 ? 24.504  -25.126 44.954 1.000 97.662  ? 520 ALA AAA C   1 ? ?  
ATOM   1522 O O   . ALA A 1 202 ? 23.282  -24.996 44.995 1.000 89.139  ? 520 ALA AAA O   1 ? ?  
ATOM   1523 C CB  . ALA A 1 202 ? 25.643  -26.507 43.196 1.000 115.748 ? 520 ALA AAA CB  1 ? ?  
ATOM   1524 N N   . PRO A 1 203 ? 25.314  -24.070 45.195 1.000 98.662  ? 521 PRO AAA N   1 ? ?  
ATOM   1525 C CA  . PRO A 1 203 ? 24.758  -22.753 45.493 1.000 100.234 ? 521 PRO AAA CA  1 ? ?  
ATOM   1526 C C   . PRO A 1 203 ? 24.143  -22.165 44.216 1.000 109.279 ? 521 PRO AAA C   1 ? ?  
ATOM   1527 O O   . PRO A 1 203 ? 24.844  -22.080 43.224 1.000 134.808 ? 521 PRO AAA O   1 ? ?  
ATOM   1528 C CB  . PRO A 1 203 ? 25.962  -21.931 45.981 1.000 94.713  ? 521 PRO AAA CB  1 ? ?  
ATOM   1529 C CG  . PRO A 1 203 ? 27.162  -22.600 45.329 1.000 101.259 ? 521 PRO AAA CG  1 ? ?  
ATOM   1530 C CD  . PRO A 1 203 ? 26.785  -24.060 45.149 1.000 104.370 ? 521 PRO AAA CD  1 ? ?  
ATOM   1531 N N   . ALA A 1 204 ? 22.854  -21.822 44.257 1.000 104.126 ? 522 ALA AAA N   1 ? ?  
ATOM   1532 C CA  . ALA A 1 204 ? 22.168  -21.043 43.203 1.000 104.952 ? 522 ALA AAA CA  1 ? ?  
ATOM   1533 C C   . ALA A 1 204 ? 22.871  -19.684 43.073 1.000 107.049 ? 522 ALA AAA C   1 ? ?  
ATOM   1534 O O   . ALA A 1 204 ? 22.820  -18.897 44.044 1.000 78.915  ? 522 ALA AAA O   1 ? ?  
ATOM   1535 C CB  . ALA A 1 204 ? 20.699  -20.901 43.521 1.000 109.159 ? 522 ALA AAA CB  1 ? ?  
ATOM   1536 N N   . THR A 1 205 ? 23.523  -19.444 41.927 1.000 106.764 ? 523 THR AAA N   1 ? ?  
ATOM   1537 C CA  . THR A 1 205 ? 24.382  -18.258 41.646 1.000 105.283 ? 523 THR AAA CA  1 ? ?  
ATOM   1538 C C   . THR A 1 205 ? 23.563  -17.130 41.000 1.000 94.800  ? 523 THR AAA C   1 ? ?  
ATOM   1539 O O   . THR A 1 205 ? 23.966  -15.947 41.164 1.000 85.517  ? 523 THR AAA O   1 ? ?  
ATOM   1540 C CB  . THR A 1 205 ? 25.576  -18.638 40.756 1.000 109.906 ? 523 THR AAA CB  1 ? ?  
ATOM   1541 O OG1 . THR A 1 205 ? 25.087  -19.040 39.474 1.000 92.373  ? 523 THR AAA OG1 1 ? ?  
ATOM   1542 C CG2 . THR A 1 205 ? 26.434  -19.734 41.351 1.000 98.351  ? 523 THR AAA CG2 1 ? ?  
ATOM   1543 N N   . VAL A 1 206 ? 22.475  -17.469 40.290 1.000 77.718  ? 524 VAL AAA N   1 ? ?  
ATOM   1544 C CA  . VAL A 1 206 ? 21.658  -16.491 39.502 1.000 88.467  ? 524 VAL AAA CA  1 ? ?  
ATOM   1545 C C   . VAL A 1 206 ? 20.253  -16.407 40.104 1.000 71.802  ? 524 VAL AAA C   1 ? ?  
ATOM   1546 O O   . VAL A 1 206 ? 19.552  -17.445 40.136 1.000 67.041  ? 524 VAL AAA O   1 ? ?  
ATOM   1547 C CB  . VAL A 1 206 ? 21.596  -16.825 37.997 1.000 80.996  ? 524 VAL AAA CB  1 ? ?  
ATOM   1548 C CG1 . VAL A 1 206 ? 21.030  -15.653 37.207 1.000 76.814  ? 524 VAL AAA CG1 1 ? ?  
ATOM   1549 C CG2 . VAL A 1 206 ? 22.951  -17.235 37.439 1.000 79.051  ? 524 VAL AAA CG2 1 ? ?  
ATOM   1550 N N   . CYS A 1 207 ? 19.854  -15.192 40.495 1.000 59.819  ? 525 CYS AAA N   1 ? ?  
ATOM   1551 C CA  . CYS A 1 207 ? 18.647  -14.897 41.309 1.000 88.973  ? 525 CYS AAA CA  1 ? ?  
ATOM   1552 C C   . CYS A 1 207 ? 18.035  -13.573 40.842 1.000 86.003  ? 525 CYS AAA C   1 ? ?  
ATOM   1553 O O   . CYS A 1 207 ? 18.814  -12.654 40.508 1.000 74.652  ? 525 CYS AAA O   1 ? ?  
ATOM   1554 C CB  . CYS A 1 207 ? 19.013  -14.802 42.790 1.000 103.055 ? 525 CYS AAA CB  1 ? ?  
ATOM   1555 S SG  . CYS A 1 207 ? 17.923  -15.756 43.880 1.000 112.454 ? 525 CYS AAA SG  1 ? ?  
ATOM   1556 N N   . GLY A 1 208 ? 16.700  -13.476 40.840 1.000 82.972  ? 526 GLY AAA N   1 ? ?  
ATOM   1557 C CA  . GLY A 1 208 ? 15.972  -12.218 40.590 1.000 83.512  ? 526 GLY AAA CA  1 ? ?  
ATOM   1558 C C   . GLY A 1 208 ? 16.333  -11.168 41.638 1.000 92.927  ? 526 GLY AAA C   1 ? ?  
ATOM   1559 O O   . GLY A 1 208 ? 17.008  -11.487 42.614 1.000 95.668  ? 526 GLY AAA O   1 ? ?  
ATOM   1560 N N   . PRO A 1 209 ? 15.907  -9.891  41.475 1.000 97.043  ? 527 PRO AAA N   1 ? ?  
ATOM   1561 C CA  . PRO A 1 209 ? 16.228  -8.838  42.444 1.000 94.565  ? 527 PRO AAA CA  1 ? ?  
ATOM   1562 C C   . PRO A 1 209 ? 15.793  -9.154  43.887 1.000 97.314  ? 527 PRO AAA C   1 ? ?  
ATOM   1563 O O   . PRO A 1 209 ? 14.866  -9.927  44.147 1.000 78.438  ? 527 PRO AAA O   1 ? ?  
ATOM   1564 C CB  . PRO A 1 209 ? 15.458  -7.614  41.918 1.000 97.826  ? 527 PRO AAA CB  1 ? ?  
ATOM   1565 C CG  . PRO A 1 209 ? 15.277  -7.889  40.437 1.000 97.080  ? 527 PRO AAA CG  1 ? ?  
ATOM   1566 C CD  . PRO A 1 209 ? 15.115  -9.391  40.340 1.000 92.189  ? 527 PRO AAA CD  1 ? ?  
ATOM   1567 N N   . GLN B 2 1   ? -0.837  -25.573 22.979 1.000 111.474 ? 1   GLN BBB N   1 ? 6  
ATOM   1568 C CA  . GLN B 2 1   ? -1.381  -26.275 24.155 1.000 111.209 ? 1   GLN BBB CA  1 ? 6  
ATOM   1569 C C   . GLN B 2 1   ? -2.770  -25.712 24.524 1.000 104.260 ? 1   GLN BBB C   1 ? 6  
ATOM   1570 O O   . GLN B 2 1   ? -3.134  -25.814 25.716 1.000 103.862 ? 1   GLN BBB O   1 ? 6  
ATOM   1571 C CB  . GLN B 2 1   ? -0.381  -26.152 25.306 1.000 118.274 ? 1   GLN BBB CB  1 ? 6  
ATOM   1572 C CG  . GLN B 2 1   ? -0.473  -27.293 26.311 1.000 125.591 ? 1   GLN BBB CG  1 ? 6  
ATOM   1573 C CD  . GLN B 2 1   ? -0.403  -26.811 27.740 1.000 126.209 ? 1   GLN BBB CD  1 ? 6  
ATOM   1574 O OE1 . GLN B 2 1   ? -1.255  -27.137 28.568 1.000 112.103 ? 1   GLN BBB OE1 1 ? 6  
ATOM   1575 N NE2 . GLN B 2 1   ? 0.610   -26.012 28.036 1.000 121.329 ? 1   GLN BBB NE2 1 ? 6  
ATOM   1576 N N   . VAL B 2 2   ? -3.523  -25.150 23.559 1.000 93.155  ? 2   VAL BBB N   1 ? 6  
ATOM   1577 C CA  . VAL B 2 2   ? -4.939  -24.686 23.731 1.000 86.013  ? 2   VAL BBB CA  1 ? 6  
ATOM   1578 C C   . VAL B 2 2   ? -5.718  -24.852 22.418 1.000 85.084  ? 2   VAL BBB C   1 ? 6  
ATOM   1579 O O   . VAL B 2 2   ? -5.118  -24.800 21.318 1.000 83.721  ? 2   VAL BBB O   1 ? 6  
ATOM   1580 C CB  . VAL B 2 2   ? -5.056  -23.222 24.207 1.000 85.332  ? 2   VAL BBB CB  1 ? 6  
ATOM   1581 C CG1 . VAL B 2 2   ? -4.405  -22.981 25.560 1.000 87.000  ? 2   VAL BBB CG1 1 ? 6  
ATOM   1582 C CG2 . VAL B 2 2   ? -4.517  -22.245 23.176 1.000 90.141  ? 2   VAL BBB CG2 1 ? 6  
ATOM   1583 N N   . GLN B 2 3   ? -7.035  -25.000 22.551 1.000 86.330  ? 3   GLN BBB N   1 ? 6  
ATOM   1584 C CA  . GLN B 2 3   ? -8.018  -25.008 21.439 1.000 87.083  ? 3   GLN BBB CA  1 ? 6  
ATOM   1585 C C   . GLN B 2 3   ? -8.943  -23.797 21.631 1.000 80.771  ? 3   GLN BBB C   1 ? 6  
ATOM   1586 O O   . GLN B 2 3   ? -9.194  -23.400 22.792 1.000 73.520  ? 3   GLN BBB O   1 ? 6  
ATOM   1587 C CB  . GLN B 2 3   ? -8.765  -26.343 21.428 1.000 95.149  ? 3   GLN BBB CB  1 ? 6  
ATOM   1588 C CG  . GLN B 2 3   ? -9.369  -26.708 20.079 1.000 106.285 ? 3   GLN BBB CG  1 ? 6  
ATOM   1589 C CD  . GLN B 2 3   ? -9.671  -28.184 19.964 1.000 114.150 ? 3   GLN BBB CD  1 ? 6  
ATOM   1590 O OE1 . GLN B 2 3   ? -8.787  -29.034 20.085 1.000 112.432 ? 3   GLN BBB OE1 1 ? 6  
ATOM   1591 N NE2 . GLN B 2 3   ? -10.932 -28.500 19.716 1.000 113.216 ? 3   GLN BBB NE2 1 ? 6  
ATOM   1592 N N   . LEU B 2 4   ? -9.386  -23.195 20.531 1.000 78.696  ? 4   LEU BBB N   1 ? 6  
ATOM   1593 C CA  . LEU B 2 4   ? -10.285 -22.013 20.548 1.000 77.229  ? 4   LEU BBB CA  1 ? 6  
ATOM   1594 C C   . LEU B 2 4   ? -11.633 -22.397 19.933 1.000 69.913  ? 4   LEU BBB C   1 ? 6  
ATOM   1595 O O   . LEU B 2 4   ? -11.639 -22.990 18.852 1.000 70.959  ? 4   LEU BBB O   1 ? 6  
ATOM   1596 C CB  . LEU B 2 4   ? -9.622  -20.883 19.757 1.000 71.072  ? 4   LEU BBB CB  1 ? 6  
ATOM   1597 C CG  . LEU B 2 4   ? -8.208  -20.540 20.198 1.000 72.137  ? 4   LEU BBB CG  1 ? 6  
ATOM   1598 C CD1 . LEU B 2 4   ? -7.606  -19.496 19.274 1.000 74.557  ? 4   LEU BBB CD1 1 ? 6  
ATOM   1599 C CD2 . LEU B 2 4   ? -8.195  -20.081 21.652 1.000 71.551  ? 4   LEU BBB CD2 1 ? 6  
ATOM   1600 N N   . VAL B 2 5   ? -12.726 -22.059 20.606 1.000 72.820  ? 5   VAL BBB N   1 ? 6  
ATOM   1601 C CA  . VAL B 2 5   ? -14.106 -22.300 20.098 1.000 79.291  ? 5   VAL BBB CA  1 ? 6  
ATOM   1602 C C   . VAL B 2 5   ? -14.782 -20.937 19.949 1.000 74.444  ? 5   VAL BBB C   1 ? 6  
ATOM   1603 O O   . VAL B 2 5   ? -14.932 -20.238 20.961 1.000 75.317  ? 5   VAL BBB O   1 ? 6  
ATOM   1604 C CB  . VAL B 2 5   ? -14.897 -23.255 21.014 1.000 83.409  ? 5   VAL BBB CB  1 ? 6  
ATOM   1605 C CG1 . VAL B 2 5   ? -16.240 -23.630 20.407 1.000 87.981  ? 5   VAL BBB CG1 1 ? 6  
ATOM   1606 C CG2 . VAL B 2 5   ? -14.097 -24.510 21.337 1.000 87.010  ? 5   VAL BBB CG2 1 ? 6  
ATOM   1607 N N   . GLU B 2 6   ? -15.126 -20.578 18.715 1.000 74.479  ? 6   GLU BBB N   1 ? 6  
ATOM   1608 C CA  . GLU B 2 6   ? -15.860 -19.335 18.376 1.000 80.808  ? 6   GLU BBB CA  1 ? 6  
ATOM   1609 C C   . GLU B 2 6   ? -17.368 -19.596 18.361 1.000 85.645  ? 6   GLU BBB C   1 ? 6  
ATOM   1610 O O   . GLU B 2 6   ? -17.776 -20.763 18.228 1.000 90.673  ? 6   GLU BBB O   1 ? 6  
ATOM   1611 C CB  . GLU B 2 6   ? -15.473 -18.826 16.990 1.000 82.251  ? 6   GLU BBB CB  1 ? 6  
ATOM   1612 C CG  . GLU B 2 6   ? -14.024 -18.438 16.850 1.000 76.737  ? 6   GLU BBB CG  1 ? 6  
ATOM   1613 C CD  . GLU B 2 6   ? -13.657 -18.269 15.395 1.000 81.060  ? 6   GLU BBB CD  1 ? 6  
ATOM   1614 O OE1 . GLU B 2 6   ? -14.260 -17.388 14.734 1.000 81.950  ? 6   GLU BBB OE1 1 ? 6  
ATOM   1615 O OE2 . GLU B 2 6   ? -12.814 -19.043 14.916 1.000 87.834  ? 6   GLU BBB OE2 1 ? 6  
ATOM   1616 N N   . SER B 2 7   ? -18.143 -18.516 18.417 1.000 95.266  ? 7   SER BBB N   1 ? 7  
ATOM   1617 C CA  . SER B 2 7   ? -19.625 -18.491 18.386 1.000 88.669  ? 7   SER BBB CA  1 ? 7  
ATOM   1618 C C   . SER B 2 7   ? -20.057 -17.025 18.307 1.000 85.723  ? 7   SER BBB C   1 ? 7  
ATOM   1619 O O   . SER B 2 7   ? -19.309 -16.191 18.843 1.000 85.913  ? 7   SER BBB O   1 ? 7  
ATOM   1620 C CB  . SER B 2 7   ? -20.187 -19.172 19.606 1.000 88.032  ? 7   SER BBB CB  1 ? 7  
ATOM   1621 O OG  . SER B 2 7   ? -19.733 -18.539 20.795 1.000 87.530  ? 7   SER BBB OG  1 ? 7  
ATOM   1622 N N   . GLY B 2 8   ? -21.184 -16.725 17.652 1.000 79.274  ? 8   GLY BBB N   1 ? 7  
ATOM   1623 C CA  . GLY B 2 8   ? -21.801 -15.381 17.653 1.000 75.546  ? 8   GLY BBB CA  1 ? 7  
ATOM   1624 C C   . GLY B 2 8   ? -22.013 -14.812 16.256 1.000 78.334  ? 8   GLY BBB C   1 ? 7  
ATOM   1625 O O   . GLY B 2 8   ? -22.582 -13.687 16.158 1.000 81.183  ? 8   GLY BBB O   1 ? 7  
ATOM   1626 N N   . GLY B 2 9   ? -21.589 -15.536 15.211 1.000 77.092  ? 9   GLY BBB N   1 ? 7  
ATOM   1627 C CA  . GLY B 2 9   ? -21.762 -15.136 13.799 1.000 80.968  ? 9   GLY BBB CA  1 ? 7  
ATOM   1628 C C   . GLY B 2 9   ? -23.230 -14.967 13.404 1.000 82.146  ? 9   GLY BBB C   1 ? 7  
ATOM   1629 O O   . GLY B 2 9   ? -24.120 -15.079 14.276 1.000 75.084  ? 9   GLY BBB O   1 ? 7  
ATOM   1630 N N   . GLY B 2 10  ? -23.486 -14.685 12.124 1.000 83.373  ? 10  GLY BBB N   1 ? 7  
ATOM   1631 C CA  . GLY B 2 10  ? -24.849 -14.538 11.584 1.000 86.738  ? 10  GLY BBB CA  1 ? 7  
ATOM   1632 C C   . GLY B 2 10  ? -24.922 -13.569 10.419 1.000 85.751  ? 10  GLY BBB C   1 ? 7  
ATOM   1633 O O   . GLY B 2 10  ? -23.875 -13.034 10.020 1.000 85.806  ? 10  GLY BBB O   1 ? 7  
ATOM   1634 N N   . SER B 2 11  ? -26.129 -13.399 9.871  1.000 92.075  ? 11  SER BBB N   1 ? 7  
ATOM   1635 C CA  . SER B 2 11  ? -26.489 -12.385 8.845  1.000 90.232  ? 11  SER BBB CA  1 ? 7  
ATOM   1636 C C   . SER B 2 11  ? -27.011 -11.142 9.565  1.000 86.313  ? 11  SER BBB C   1 ? 7  
ATOM   1637 O O   . SER B 2 11  ? -27.588 -11.296 10.671 1.000 80.132  ? 11  SER BBB O   1 ? 7  
ATOM   1638 C CB  . SER B 2 11  ? -27.513 -12.910 7.860  1.000 98.247  ? 11  SER BBB CB  1 ? 7  
ATOM   1639 O OG  . SER B 2 11  ? -26.892 -13.444 6.698  1.000 102.405 ? 11  SER BBB OG  1 ? 7  
ATOM   1640 N N   . VAL B 2 12  ? -26.794 -9.967  8.974  1.000 79.704  ? 12  VAL BBB N   1 ? 7  
ATOM   1641 C CA  . VAL B 2 12  ? -27.398 -8.683  9.433  1.000 80.069  ? 12  VAL BBB CA  1 ? 7  
ATOM   1642 C C   . VAL B 2 12  ? -27.449 -7.725  8.248  1.000 81.592  ? 12  VAL BBB C   1 ? 7  
ATOM   1643 O O   . VAL B 2 12  ? -26.754 -7.973  7.238  1.000 79.716  ? 12  VAL BBB O   1 ? 7  
ATOM   1644 C CB  . VAL B 2 12  ? -26.627 -8.032  10.599 1.000 81.337  ? 12  VAL BBB CB  1 ? 7  
ATOM   1645 C CG1 . VAL B 2 12  ? -27.079 -8.536  11.962 1.000 80.197  ? 12  VAL BBB CG1 1 ? 7  
ATOM   1646 C CG2 . VAL B 2 12  ? -25.125 -8.170  10.425 1.000 81.038  ? 12  VAL BBB CG2 1 ? 7  
ATOM   1647 N N   . GLN B 2 13  ? -28.221 -6.652  8.404  1.000 86.947  ? 13  GLN BBB N   1 ? 7  
ATOM   1648 C CA  . GLN B 2 13  ? -28.273 -5.517  7.449  1.000 93.100  ? 13  GLN BBB CA  1 ? 7  
ATOM   1649 C C   . GLN B 2 13  ? -27.206 -4.497  7.831  1.000 87.653  ? 13  GLN BBB C   1 ? 7  
ATOM   1650 O O   . GLN B 2 13  ? -26.761 -4.473  8.982  1.000 81.852  ? 13  GLN BBB O   1 ? 7  
ATOM   1651 C CB  . GLN B 2 13  ? -29.655 -4.873  7.477  1.000 98.379  ? 13  GLN BBB CB  1 ? 7  
ATOM   1652 C CG  . GLN B 2 13  ? -30.786 -5.865  7.260  1.000 101.021 ? 13  GLN BBB CG  1 ? 7  
ATOM   1653 C CD  . GLN B 2 13  ? -32.014 -5.143  6.772  1.000 104.128 ? 13  GLN BBB CD  1 ? 7  
ATOM   1654 O OE1 . GLN B 2 13  ? -32.488 -5.371  5.663  1.000 114.707 ? 13  GLN BBB OE1 1 ? 7  
ATOM   1655 N NE2 . GLN B 2 13  ? -32.509 -4.226  7.587  1.000 100.816 ? 13  GLN BBB NE2 1 ? 7  
ATOM   1656 N N   . PRO B 2 14  ? -26.752 -3.649  6.876  1.000 81.751  ? 14  PRO BBB N   1 ? 7  
ATOM   1657 C CA  . PRO B 2 14  ? -25.895 -2.508  7.196  1.000 79.502  ? 14  PRO BBB CA  1 ? 7  
ATOM   1658 C C   . PRO B 2 14  ? -26.349 -1.792  8.476  1.000 74.070  ? 14  PRO BBB C   1 ? 7  
ATOM   1659 O O   . PRO B 2 14  ? -27.542 -1.703  8.714  1.000 72.557  ? 14  PRO BBB O   1 ? 7  
ATOM   1660 C CB  . PRO B 2 14  ? -26.033 -1.637  5.941  1.000 81.277  ? 14  PRO BBB CB  1 ? 7  
ATOM   1661 C CG  . PRO B 2 14  ? -26.147 -2.660  4.832  1.000 85.724  ? 14  PRO BBB CG  1 ? 7  
ATOM   1662 C CD  . PRO B 2 14  ? -26.978 -3.778  5.428  1.000 81.579  ? 14  PRO BBB CD  1 ? 7  
ATOM   1663 N N   . GLY B 2 15  ? -25.383 -1.372  9.296  1.000 68.381  ? 15  GLY BBB N   1 ? 7  
ATOM   1664 C CA  . GLY B 2 15  ? -25.622 -0.652  10.561 1.000 70.589  ? 15  GLY BBB CA  1 ? 7  
ATOM   1665 C C   . GLY B 2 15  ? -25.961 -1.590  11.703 1.000 67.656  ? 15  GLY BBB C   1 ? 7  
ATOM   1666 O O   . GLY B 2 15  ? -26.067 -1.108  12.847 1.000 67.636  ? 15  GLY BBB O   1 ? 7  
ATOM   1667 N N   . GLY B 2 16  ? -26.135 -2.883  11.416 1.000 69.574  ? 16  GLY BBB N   1 ? 7  
ATOM   1668 C CA  . GLY B 2 16  ? -26.391 -3.913  12.438 1.000 67.359  ? 16  GLY BBB CA  1 ? 7  
ATOM   1669 C C   . GLY B 2 16  ? -25.146 -4.176  13.263 1.000 69.623  ? 16  GLY BBB C   1 ? 7  
ATOM   1670 O O   . GLY B 2 16  ? -24.037 -3.693  12.887 1.000 68.684  ? 16  GLY BBB O   1 ? 7  
ATOM   1671 N N   . SER B 2 17  ? -25.309 -4.909  14.359 1.000 67.680  ? 17  SER BBB N   1 ? 7  
ATOM   1672 C CA  . SER B 2 17  ? -24.195 -5.318  15.243 1.000 70.634  ? 17  SER BBB CA  1 ? 7  
ATOM   1673 C C   . SER B 2 17  ? -24.197 -6.843  15.464 1.000 68.052  ? 17  SER BBB C   1 ? 7  
ATOM   1674 O O   . SER B 2 17  ? -25.247 -7.464  15.373 1.000 71.210  ? 17  SER BBB O   1 ? 7  
ATOM   1675 C CB  . SER B 2 17  ? -24.229 -4.513  16.512 1.000 68.080  ? 17  SER BBB CB  1 ? 7  
ATOM   1676 O OG  . SER B 2 17  ? -25.032 -5.135  17.491 1.000 78.400  ? 17  SER BBB OG  1 ? 7  
ATOM   1677 N N   . LEU B 2 18  ? -23.014 -7.416  15.683 1.000 86.337  ? 18  LEU BBB N   1 ? 8  
ATOM   1678 C CA  . LEU B 2 18  ? -22.773 -8.844  16.021 1.000 82.762  ? 18  LEU BBB CA  1 ? 8  
ATOM   1679 C C   . LEU B 2 18  ? -21.724 -8.899  17.127 1.000 78.049  ? 18  LEU BBB C   1 ? 8  
ATOM   1680 O O   . LEU B 2 18  ? -20.883 -7.989  17.179 1.000 79.921  ? 18  LEU BBB O   1 ? 8  
ATOM   1681 C CB  . LEU B 2 18  ? -22.239 -9.584  14.792 1.000 82.381  ? 18  LEU BBB CB  1 ? 8  
ATOM   1682 C CG  . LEU B 2 18  ? -23.260 -9.939  13.717 1.000 85.503  ? 18  LEU BBB CG  1 ? 8  
ATOM   1683 C CD1 . LEU B 2 18  ? -22.560 -10.606 12.541 1.000 83.443  ? 18  LEU BBB CD1 1 ? 8  
ATOM   1684 C CD2 . LEU B 2 18  ? -24.357 -10.839 14.278 1.000 90.584  ? 18  LEU BBB CD2 1 ? 8  
ATOM   1685 N N   . ARG B 2 19  ? -21.731 -9.961  17.925 1.000 78.646  ? 19  ARG BBB N   1 ? 8  
ATOM   1686 C CA  . ARG B 2 19  ? -20.757 -10.174 19.025 1.000 77.378  ? 19  ARG BBB CA  1 ? 8  
ATOM   1687 C C   . ARG B 2 19  ? -20.097 -11.541 18.854 1.000 74.629  ? 19  ARG BBB C   1 ? 8  
ATOM   1688 O O   . ARG B 2 19  ? -20.783 -12.565 19.008 1.000 76.805  ? 19  ARG BBB O   1 ? 8  
ATOM   1689 C CB  . ARG B 2 19  ? -21.482 -10.047 20.364 1.000 82.495  ? 19  ARG BBB CB  1 ? 8  
ATOM   1690 C CG  . ARG B 2 19  ? -20.690 -10.536 21.567 1.000 84.470  ? 19  ARG BBB CG  1 ? 8  
ATOM   1691 C CD  . ARG B 2 19  ? -20.698 -9.450  22.613 1.000 90.646  ? 19  ARG BBB CD  1 ? 8  
ATOM   1692 N NE  . ARG B 2 19  ? -20.382 -9.894  23.956 1.000 94.813  ? 19  ARG BBB NE  1 ? 8  
ATOM   1693 C CZ  . ARG B 2 19  ? -19.721 -9.165  24.854 1.000 96.903  ? 19  ARG BBB CZ  1 ? 8  
ATOM   1694 N NH1 . ARG B 2 19  ? -19.287 -7.949  24.557 1.000 92.986  ? 19  ARG BBB NH1 1 ? 8  
ATOM   1695 N NH2 . ARG B 2 19  ? -19.492 -9.663  26.056 1.000 103.641 ? 19  ARG BBB NH2 1 ? 8  
ATOM   1696 N N   . LEU B 2 20  ? -18.799 -11.560 18.560 1.000 74.244  ? 20  LEU BBB N   1 ? 8  
ATOM   1697 C CA  . LEU B 2 20  ? -18.034 -12.826 18.425 1.000 71.462  ? 20  LEU BBB CA  1 ? 8  
ATOM   1698 C C   . LEU B 2 20  ? -17.442 -13.189 19.787 1.000 70.997  ? 20  LEU BBB C   1 ? 8  
ATOM   1699 O O   . LEU B 2 20  ? -17.231 -12.278 20.602 1.000 69.185  ? 20  LEU BBB O   1 ? 8  
ATOM   1700 C CB  . LEU B 2 20  ? -16.980 -12.669 17.329 1.000 68.273  ? 20  LEU BBB CB  1 ? 8  
ATOM   1701 C CG  . LEU B 2 20  ? -17.437 -13.058 15.924 1.000 70.329  ? 20  LEU BBB CG  1 ? 8  
ATOM   1702 C CD1 . LEU B 2 20  ? -18.891 -12.686 15.686 1.000 75.563  ? 20  LEU BBB CD1 1 ? 8  
ATOM   1703 C CD2 . LEU B 2 20  ? -16.547 -12.437 14.859 1.000 68.043  ? 20  LEU BBB CD2 1 ? 8  
ATOM   1704 N N   . SER B 2 21  ? -17.280 -14.492 20.028 1.000 74.655  ? 21  SER BBB N   1 ? 8  
ATOM   1705 C CA  . SER B 2 21  ? -16.806 -15.112 21.292 1.000 74.982  ? 21  SER BBB CA  1 ? 8  
ATOM   1706 C C   . SER B 2 21  ? -15.730 -16.135 20.945 1.000 72.689  ? 21  SER BBB C   1 ? 8  
ATOM   1707 O O   . SER B 2 21  ? -15.970 -16.961 20.054 1.000 76.471  ? 21  SER BBB O   1 ? 8  
ATOM   1708 C CB  . SER B 2 21  ? -17.936 -15.769 22.046 1.000 79.535  ? 21  SER BBB CB  1 ? 8  
ATOM   1709 O OG  . SER B 2 21  ? -18.694 -14.806 22.756 1.000 81.228  ? 21  SER BBB OG  1 ? 8  
ATOM   1710 N N   . CYS B 2 22  ? -14.583 -16.044 21.604 1.000 74.609  ? 22  CYS BBB N   1 ? 8  
ATOM   1711 C CA  . CYS B 2 22  ? -13.454 -16.993 21.488 1.000 76.337  ? 22  CYS BBB CA  1 ? 8  
ATOM   1712 C C   . CYS B 2 22  ? -13.237 -17.610 22.871 1.000 76.646  ? 22  CYS BBB C   1 ? 8  
ATOM   1713 O O   . CYS B 2 22  ? -12.744 -16.889 23.759 1.000 73.048  ? 22  CYS BBB O   1 ? 8  
ATOM   1714 C CB  . CYS B 2 22  ? -12.212 -16.272 20.982 1.000 78.180  ? 22  CYS BBB CB  1 ? 8  
ATOM   1715 S SG  . CYS B 2 22  ? -10.863 -17.384 20.512 1.000 79.185  ? 22  CYS BBB SG  1 ? 8  
ATOM   1716 N N   . LEU B 2 23  ? -13.681 -18.858 23.052 1.000 76.830  ? 23  LEU BBB N   1 ? 8  
ATOM   1717 C CA  . LEU B 2 23  ? -13.552 -19.621 24.320 1.000 79.483  ? 23  LEU BBB CA  1 ? 8  
ATOM   1718 C C   . LEU B 2 23  ? -12.343 -20.551 24.216 1.000 77.011  ? 23  LEU BBB C   1 ? 8  
ATOM   1719 O O   . LEU B 2 23  ? -12.266 -21.327 23.237 1.000 76.556  ? 23  LEU BBB O   1 ? 8  
ATOM   1720 C CB  . LEU B 2 23  ? -14.838 -20.413 24.577 1.000 83.717  ? 23  LEU BBB CB  1 ? 8  
ATOM   1721 C CG  . LEU B 2 23  ? -14.865 -21.294 25.833 1.000 88.370  ? 23  LEU BBB CG  1 ? 8  
ATOM   1722 C CD1 . LEU B 2 23  ? -14.508 -20.518 27.099 1.000 84.463  ? 23  LEU BBB CD1 1 ? 8  
ATOM   1723 C CD2 . LEU B 2 23  ? -16.232 -21.958 26.000 1.000 92.281  ? 23  LEU BBB CD2 1 ? 8  
ATOM   1724 N N   . GLY B 2 24  ? -11.443 -20.462 25.197 1.000 74.540  ? 24  GLY BBB N   1 ? 8  
ATOM   1725 C CA  . GLY B 2 24  ? -10.240 -21.306 25.285 1.000 76.585  ? 24  GLY BBB CA  1 ? 8  
ATOM   1726 C C   . GLY B 2 24  ? -10.518 -22.578 26.055 1.000 79.932  ? 24  GLY BBB C   1 ? 8  
ATOM   1727 O O   . GLY B 2 24  ? -11.167 -22.493 27.106 1.000 81.281  ? 24  GLY BBB O   1 ? 8  
ATOM   1728 N N   . SER B 2 25  ? -10.049 -23.719 25.546 1.000 86.090  ? 25  SER BBB N   1 ? 8  
ATOM   1729 C CA  . SER B 2 25  ? -9.983  -25.001 26.295 1.000 90.851  ? 25  SER BBB CA  1 ? 8  
ATOM   1730 C C   . SER B 2 25  ? -9.127  -24.779 27.550 1.000 89.361  ? 25  SER BBB C   1 ? 8  
ATOM   1731 O O   . SER B 2 25  ? -9.676  -24.895 28.657 1.000 99.559  ? 25  SER BBB O   1 ? 8  
ATOM   1732 C CB  . SER B 2 25  ? -9.456  -26.113 25.429 1.000 92.552  ? 25  SER BBB CB  1 ? 8  
ATOM   1733 O OG  . SER B 2 25  ? -8.334  -25.658 24.688 1.000 93.064  ? 25  SER BBB OG  1 ? 8  
ATOM   1734 N N   . GLY B 2 26  ? -7.846  -24.429 27.381 1.000 81.728  ? 26  GLY BBB N   1 ? 8  
ATOM   1735 C CA  . GLY B 2 26  ? -6.934  -24.080 28.488 1.000 80.049  ? 26  GLY BBB CA  1 ? 8  
ATOM   1736 C C   . GLY B 2 26  ? -6.946  -22.586 28.772 1.000 76.571  ? 26  GLY BBB C   1 ? 8  
ATOM   1737 O O   . GLY B 2 26  ? -7.569  -21.838 27.992 1.000 73.906  ? 26  GLY BBB O   1 ? 8  
ATOM   1738 N N   . SER B 2 27  ? -6.263  -22.158 29.837 1.000 74.218  ? 27  SER BBB N   1 ? 8  
ATOM   1739 C CA  . SER B 2 27  ? -6.051  -20.731 30.193 1.000 70.790  ? 27  SER BBB CA  1 ? 8  
ATOM   1740 C C   . SER B 2 27  ? -5.549  -19.946 28.970 1.000 67.421  ? 27  SER BBB C   1 ? 8  
ATOM   1741 O O   . SER B 2 27  ? -4.612  -20.402 28.284 1.000 69.943  ? 27  SER BBB O   1 ? 8  
ATOM   1742 C CB  . SER B 2 27  ? -5.097  -20.585 31.344 1.000 70.306  ? 27  SER BBB CB  1 ? 8  
ATOM   1743 O OG  . SER B 2 27  ? -5.244  -19.305 31.947 1.000 71.653  ? 27  SER BBB OG  1 ? 8  
ATOM   1744 N N   . LEU B 2 28  ? -6.160  -18.795 28.715 1.000 64.755  ? 28  LEU BBB N   1 ? 8  
ATOM   1745 C CA  . LEU B 2 28  ? -5.715  -17.822 27.689 1.000 62.772  ? 28  LEU BBB CA  1 ? 8  
ATOM   1746 C C   . LEU B 2 28  ? -4.883  -16.706 28.336 1.000 59.678  ? 28  LEU BBB C   1 ? 8  
ATOM   1747 O O   . LEU B 2 28  ? -4.396  -15.872 27.577 1.000 62.563  ? 28  LEU BBB O   1 ? 8  
ATOM   1748 C CB  . LEU B 2 28  ? -6.949  -17.259 26.976 1.000 64.271  ? 28  LEU BBB CB  1 ? 8  
ATOM   1749 C CG  . LEU B 2 28  ? -7.760  -18.260 26.147 1.000 64.738  ? 28  LEU BBB CG  1 ? 8  
ATOM   1750 C CD1 . LEU B 2 28  ? -8.814  -17.536 25.317 1.000 66.889  ? 28  LEU BBB CD1 1 ? 8  
ATOM   1751 C CD2 . LEU B 2 28  ? -6.876  -19.101 25.241 1.000 61.711  ? 28  LEU BBB CD2 1 ? 8  
ATOM   1752 N N   . ASP B 2 29  ? -4.655  -16.743 29.657 1.000 61.420  ? 29  ASP BBB N   1 ? 8  
ATOM   1753 C CA  . ASP B 2 29  ? -3.996  -15.656 30.441 1.000 62.295  ? 29  ASP BBB CA  1 ? 8  
ATOM   1754 C C   . ASP B 2 29  ? -2.672  -15.202 29.798 1.000 60.864  ? 29  ASP BBB C   1 ? 8  
ATOM   1755 O O   . ASP B 2 29  ? -2.443  -13.967 29.737 1.000 58.004  ? 29  ASP BBB O   1 ? 8  
ATOM   1756 C CB  . ASP B 2 29  ? -3.761  -16.068 31.898 1.000 64.777  ? 29  ASP BBB CB  1 ? 8  
ATOM   1757 C CG  . ASP B 2 29  ? -5.014  -16.065 32.771 1.000 71.686  ? 29  ASP BBB CG  1 ? 8  
ATOM   1758 O OD1 . ASP B 2 29  ? -6.135  -15.874 32.225 1.000 66.187  ? 29  ASP BBB OD1 1 ? 8  
ATOM   1759 O OD2 . ASP B 2 29  ? -4.862  -16.250 34.001 1.000 74.879  ? 29  ASP BBB OD2 1 ? 8  
ATOM   1760 N N   . TYR B 2 30  ? -1.817  -16.133 29.364 1.000 59.140  ? 30  TYR BBB N   1 ? 8  
ATOM   1761 C CA  . TYR B 2 30  ? -0.462  -15.819 28.826 1.000 59.400  ? 30  TYR BBB CA  1 ? 8  
ATOM   1762 C C   . TYR B 2 30  ? -0.551  -15.415 27.346 1.000 55.013  ? 30  TYR BBB C   1 ? 8  
ATOM   1763 O O   . TYR B 2 30  ? 0.474   -15.004 26.781 1.000 57.385  ? 30  TYR BBB O   1 ? 8  
ATOM   1764 C CB  . TYR B 2 30  ? 0.500   -17.008 28.947 1.000 61.264  ? 30  TYR BBB CB  1 ? 8  
ATOM   1765 C CG  . TYR B 2 30  ? 0.853   -17.488 30.334 1.000 66.680  ? 30  TYR BBB CG  1 ? 8  
ATOM   1766 C CD1 . TYR B 2 30  ? 0.793   -16.652 31.439 1.000 69.650  ? 30  TYR BBB CD1 1 ? 8  
ATOM   1767 C CD2 . TYR B 2 30  ? 1.298   -18.790 30.535 1.000 72.057  ? 30  TYR BBB CD2 1 ? 8  
ATOM   1768 C CE1 . TYR B 2 30  ? 1.147   -17.099 32.706 1.000 75.363  ? 30  TYR BBB CE1 1 ? 8  
ATOM   1769 C CE2 . TYR B 2 30  ? 1.670   -19.251 31.791 1.000 73.548  ? 30  TYR BBB CE2 1 ? 8  
ATOM   1770 C CZ  . TYR B 2 30  ? 1.592   -18.401 32.885 1.000 77.943  ? 30  TYR BBB CZ  1 ? 8  
ATOM   1771 O OH  . TYR B 2 30  ? 1.945   -18.835 34.136 1.000 79.923  ? 30  TYR BBB OH  1 ? 8  
ATOM   1772 N N   . TYR B 2 31  ? -1.716  -15.566 26.716 1.000 55.089  ? 31  TYR BBB N   1 ? 8  
ATOM   1773 C CA  . TYR B 2 31  ? -1.870  -15.429 25.247 1.000 54.917  ? 31  TYR BBB CA  1 ? 8  
ATOM   1774 C C   . TYR B 2 31  ? -2.441  -14.051 24.912 1.000 54.181  ? 31  TYR BBB C   1 ? 8  
ATOM   1775 O O   . TYR B 2 31  ? -3.335  -13.562 25.640 1.000 52.690  ? 31  TYR BBB O   1 ? 8  
ATOM   1776 C CB  . TYR B 2 31  ? -2.757  -16.537 24.673 1.000 59.139  ? 31  TYR BBB CB  1 ? 8  
ATOM   1777 C CG  . TYR B 2 31  ? -2.220  -17.940 24.791 1.000 59.868  ? 31  TYR BBB CG  1 ? 8  
ATOM   1778 C CD1 . TYR B 2 31  ? -2.358  -18.655 25.965 1.000 64.932  ? 31  TYR BBB CD1 1 ? 8  
ATOM   1779 C CD2 . TYR B 2 31  ? -1.592  -18.569 23.728 1.000 64.057  ? 31  TYR BBB CD2 1 ? 8  
ATOM   1780 C CE1 . TYR B 2 31  ? -1.890  -19.956 26.086 1.000 68.296  ? 31  TYR BBB CE1 1 ? 8  
ATOM   1781 C CE2 . TYR B 2 31  ? -1.098  -19.863 23.836 1.000 66.217  ? 31  TYR BBB CE2 1 ? 8  
ATOM   1782 C CZ  . TYR B 2 31  ? -1.258  -20.565 25.017 1.000 67.572  ? 31  TYR BBB CZ  1 ? 8  
ATOM   1783 O OH  . TYR B 2 31  ? -0.780  -21.837 25.154 1.000 72.790  ? 31  TYR BBB OH  1 ? 8  
ATOM   1784 N N   . ALA B 2 32  ? -1.905  -13.443 23.847 1.000 52.159  ? 32  ALA BBB N   1 ? 8  
ATOM   1785 C CA  . ALA B 2 32  ? -2.569  -12.392 23.039 1.000 50.738  ? 32  ALA BBB CA  1 ? 8  
ATOM   1786 C C   . ALA B 2 32  ? -3.547  -13.088 22.090 1.000 48.546  ? 32  ALA BBB C   1 ? 8  
ATOM   1787 O O   . ALA B 2 32  ? -3.197  -14.154 21.573 1.000 49.244  ? 32  ALA BBB O   1 ? 8  
ATOM   1788 C CB  . ALA B 2 32  ? -1.552  -11.578 22.268 1.000 49.599  ? 32  ALA BBB CB  1 ? 8  
ATOM   1789 N N   . ILE B 2 33  ? -4.734  -12.524 21.884 1.000 50.030  ? 33  ILE BBB N   1 ? 8  
ATOM   1790 C CA  . ILE B 2 33  ? -5.774  -13.127 20.997 1.000 49.477  ? 33  ILE BBB CA  1 ? 8  
ATOM   1791 C C   . ILE B 2 33  ? -6.028  -12.155 19.858 1.000 47.934  ? 33  ILE BBB C   1 ? 8  
ATOM   1792 O O   . ILE B 2 33  ? -6.170  -10.950 20.114 1.000 49.315  ? 33  ILE BBB O   1 ? 8  
ATOM   1793 C CB  . ILE B 2 33  ? -7.058  -13.469 21.769 1.000 54.245  ? 33  ILE BBB CB  1 ? 8  
ATOM   1794 C CG1 . ILE B 2 33  ? -6.754  -14.357 22.976 1.000 54.908  ? 33  ILE BBB CG1 1 ? 8  
ATOM   1795 C CG2 . ILE B 2 33  ? -8.091  -14.104 20.847 1.000 57.400  ? 33  ILE BBB CG2 1 ? 8  
ATOM   1796 C CD1 . ILE B 2 33  ? -6.213  -15.716 22.622 1.000 54.451  ? 33  ILE BBB CD1 1 ? 8  
ATOM   1797 N N   . GLY B 2 34  ? -5.960  -12.658 18.637 1.000 49.891  ? 34  GLY BBB N   1 ? 8  
ATOM   1798 C CA  . GLY B 2 34  ? -6.162  -11.847 17.431 1.000 55.462  ? 34  GLY BBB CA  1 ? 8  
ATOM   1799 C C   . GLY B 2 34  ? -7.422  -12.295 16.742 1.000 55.748  ? 34  GLY BBB C   1 ? 8  
ATOM   1800 O O   . GLY B 2 34  ? -7.758  -13.489 16.900 1.000 54.603  ? 34  GLY BBB O   1 ? 8  
ATOM   1801 N N   . TRP B 2 35  ? -8.102  -11.373 16.060 1.000 53.229  ? 35  TRP BBB N   1 ? 8  
ATOM   1802 C CA  . TRP B 2 35  ? -9.238  -11.696 15.161 1.000 56.170  ? 35  TRP BBB CA  1 ? 8  
ATOM   1803 C C   . TRP B 2 35  ? -8.800  -11.398 13.736 1.000 57.803  ? 35  TRP BBB C   1 ? 8  
ATOM   1804 O O   . TRP B 2 35  ? -8.396  -10.261 13.469 1.000 60.305  ? 35  TRP BBB O   1 ? 8  
ATOM   1805 C CB  . TRP B 2 35  ? -10.512 -10.927 15.510 1.000 58.310  ? 35  TRP BBB CB  1 ? 8  
ATOM   1806 C CG  . TRP B 2 35  ? -11.140 -11.334 16.803 1.000 56.356  ? 35  TRP BBB CG  1 ? 8  
ATOM   1807 C CD1 . TRP B 2 35  ? -10.942 -10.767 18.025 1.000 57.160  ? 35  TRP BBB CD1 1 ? 8  
ATOM   1808 C CD2 . TRP B 2 35  ? -12.081 -12.391 17.003 1.000 58.345  ? 35  TRP BBB CD2 1 ? 8  
ATOM   1809 N NE1 . TRP B 2 35  ? -11.691 -11.401 18.974 1.000 58.470  ? 35  TRP BBB NE1 1 ? 8  
ATOM   1810 C CE2 . TRP B 2 35  ? -12.405 -12.399 18.376 1.000 61.064  ? 35  TRP BBB CE2 1 ? 8  
ATOM   1811 C CE3 . TRP B 2 35  ? -12.686 -13.324 16.160 1.000 61.489  ? 35  TRP BBB CE3 1 ? 8  
ATOM   1812 C CZ2 . TRP B 2 35  ? -13.312 -13.303 18.925 1.000 63.397  ? 35  TRP BBB CZ2 1 ? 8  
ATOM   1813 C CZ3 . TRP B 2 35  ? -13.567 -14.230 16.707 1.000 64.134  ? 35  TRP BBB CZ3 1 ? 8  
ATOM   1814 C CH2 . TRP B 2 35  ? -13.876 -14.218 18.068 1.000 62.988  ? 35  TRP BBB CH2 1 ? 8  
ATOM   1815 N N   . PHE B 2 36  ? -8.834  -12.413 12.884 1.000 56.088  ? 36  PHE BBB N   1 ? 8  
ATOM   1816 C CA  . PHE B 2 36  ? -8.568  -12.282 11.442 1.000 58.457  ? 36  PHE BBB CA  1 ? 8  
ATOM   1817 C C   . PHE B 2 36  ? -9.874  -12.567 10.715 1.000 62.183  ? 36  PHE BBB C   1 ? 8  
ATOM   1818 O O   . PHE B 2 36  ? -10.789 -13.153 11.319 1.000 64.490  ? 36  PHE BBB O   1 ? 8  
ATOM   1819 C CB  . PHE B 2 36  ? -7.475  -13.243 10.992 1.000 59.329  ? 36  PHE BBB CB  1 ? 8  
ATOM   1820 C CG  . PHE B 2 36  ? -6.106  -12.934 11.524 1.000 56.321  ? 36  PHE BBB CG  1 ? 8  
ATOM   1821 C CD1 . PHE B 2 36  ? -5.773  -13.247 12.827 1.000 53.887  ? 36  PHE BBB CD1 1 ? 8  
ATOM   1822 C CD2 . PHE B 2 36  ? -5.135  -12.387 10.699 1.000 57.068  ? 36  PHE BBB CD2 1 ? 8  
ATOM   1823 C CE1 . PHE B 2 36  ? -4.503  -12.987 13.309 1.000 52.884  ? 36  PHE BBB CE1 1 ? 8  
ATOM   1824 C CE2 . PHE B 2 36  ? -3.867  -12.127 11.185 1.000 55.631  ? 36  PHE BBB CE2 1 ? 8  
ATOM   1825 C CZ  . PHE B 2 36  ? -3.556  -12.423 12.491 1.000 53.605  ? 36  PHE BBB CZ  1 ? 8  
ATOM   1826 N N   . ARG B 2 37  ? -9.953  -12.120 9.469  1.000 60.736  ? 37  ARG BBB N   1 ? 8  
ATOM   1827 C CA  . ARG B 2 37  ? -11.134 -12.350 8.619  1.000 62.992  ? 37  ARG BBB CA  1 ? 8  
ATOM   1828 C C   . ARG B 2 37  ? -10.614 -12.668 7.220  1.000 64.524  ? 37  ARG BBB C   1 ? 8  
ATOM   1829 O O   . ARG B 2 37  ? -9.508  -12.197 6.860  1.000 60.764  ? 37  ARG BBB O   1 ? 8  
ATOM   1830 C CB  . ARG B 2 37  ? -12.101 -11.167 8.727  1.000 63.537  ? 37  ARG BBB CB  1 ? 8  
ATOM   1831 C CG  . ARG B 2 37  ? -11.692 -9.918  7.957  1.000 61.835  ? 37  ARG BBB CG  1 ? 8  
ATOM   1832 C CD  . ARG B 2 37  ? -12.662 -8.772  8.156  1.000 58.526  ? 37  ARG BBB CD  1 ? 8  
ATOM   1833 N NE  . ARG B 2 37  ? -12.154 -7.583  7.492  1.000 62.957  ? 37  ARG BBB NE  1 ? 8  
ATOM   1834 C CZ  . ARG B 2 37  ? -12.764 -6.400  7.468  1.000 62.300  ? 37  ARG BBB CZ  1 ? 8  
ATOM   1835 N NH1 . ARG B 2 37  ? -13.920 -6.229  8.087  1.000 63.392  ? 37  ARG BBB NH1 1 ? 8  
ATOM   1836 N NH2 . ARG B 2 37  ? -12.205 -5.391  6.828  1.000 62.501  ? 37  ARG BBB NH2 1 ? 8  
ATOM   1837 N N   . GLN B 2 38  ? -11.367 -13.507 6.524  1.000 67.447  ? 38  GLN BBB N   1 ? 8  
ATOM   1838 C CA  . GLN B 2 38  ? -11.030 -14.096 5.211  1.000 75.041  ? 38  GLN BBB CA  1 ? 8  
ATOM   1839 C C   . GLN B 2 38  ? -12.318 -14.050 4.387  1.000 81.842  ? 38  GLN BBB C   1 ? 8  
ATOM   1840 O O   . GLN B 2 38  ? -13.324 -14.646 4.829  1.000 80.332  ? 38  GLN BBB O   1 ? 8  
ATOM   1841 C CB  . GLN B 2 38  ? -10.479 -15.504 5.458  1.000 79.946  ? 38  GLN BBB CB  1 ? 8  
ATOM   1842 C CG  . GLN B 2 38  ? -10.266 -16.352 4.210  1.000 84.726  ? 38  GLN BBB CG  1 ? 8  
ATOM   1843 C CD  . GLN B 2 38  ? -8.885  -16.174 3.633  1.000 84.759  ? 38  GLN BBB CD  1 ? 8  
ATOM   1844 O OE1 . GLN B 2 38  ? -7.913  -16.746 4.125  1.000 80.794  ? 38  GLN BBB OE1 1 ? 8  
ATOM   1845 N NE2 . GLN B 2 38  ? -8.799  -15.373 2.581  1.000 85.865  ? 38  GLN BBB NE2 1 ? 8  
ATOM   1846 N N   . ALA B 2 39  ? -12.317 -13.290 3.292  1.000 90.219  ? 39  ALA BBB N   1 ? 8  
ATOM   1847 C CA  . ALA B 2 39  ? -13.405 -13.273 2.286  1.000 94.903  ? 39  ALA BBB CA  1 ? 8  
ATOM   1848 C C   . ALA B 2 39  ? -12.937 -14.073 1.080  1.000 98.764  ? 39  ALA BBB C   1 ? 8  
ATOM   1849 O O   . ALA B 2 39  ? -11.747 -14.043 0.769  1.000 96.942  ? 39  ALA BBB O   1 ? 8  
ATOM   1850 C CB  . ALA B 2 39  ? -13.753 -11.854 1.910  1.000 95.479  ? 39  ALA BBB CB  1 ? 8  
ATOM   1851 N N   . PRO B 2 40  ? -13.838 -14.804 0.378  1.000 105.341 ? 40  PRO BBB N   1 ? 8  
ATOM   1852 C CA  . PRO B 2 40  ? -13.439 -15.596 -0.788 1.000 111.004 ? 40  PRO BBB CA  1 ? 8  
ATOM   1853 C C   . PRO B 2 40  ? -12.745 -14.682 -1.809 1.000 113.850 ? 40  PRO BBB C   1 ? 8  
ATOM   1854 O O   . PRO B 2 40  ? -13.270 -13.615 -2.064 1.000 110.621 ? 40  PRO BBB O   1 ? 8  
ATOM   1855 C CB  . PRO B 2 40  ? -14.753 -16.194 -1.328 1.000 114.059 ? 40  PRO BBB CB  1 ? 8  
ATOM   1856 C CG  . PRO B 2 40  ? -15.857 -15.374 -0.673 1.000 111.544 ? 40  PRO BBB CG  1 ? 8  
ATOM   1857 C CD  . PRO B 2 40  ? -15.285 -14.881 0.642  1.000 106.185 ? 40  PRO BBB CD  1 ? 8  
ATOM   1858 N N   . GLY B 2 41  ? -11.567 -15.080 -2.303 1.000 100.138 ? 41  GLY BBB N   1 ? 9  
ATOM   1859 C CA  . GLY B 2 41  ? -10.779 -14.306 -3.287 1.000 107.823 ? 41  GLY BBB CA  1 ? 9  
ATOM   1860 C C   . GLY B 2 41  ? -9.768  -13.371 -2.631 1.000 111.841 ? 41  GLY BBB C   1 ? 9  
ATOM   1861 O O   . GLY B 2 41  ? -8.591  -13.409 -3.045 1.000 108.203 ? 41  GLY BBB O   1 ? 9  
ATOM   1862 N N   . LYS B 2 42  ? -10.204 -12.562 -1.652 1.000 118.584 ? 42  LYS BBB N   1 ? 9  
ATOM   1863 C CA  . LYS B 2 42  ? -9.359  -11.590 -0.896 1.000 114.542 ? 42  LYS BBB CA  1 ? 9  
ATOM   1864 C C   . LYS B 2 42  ? -8.348  -12.323 0.002  1.000 105.157 ? 42  LYS BBB C   1 ? 9  
ATOM   1865 O O   . LYS B 2 42  ? -8.586  -13.498 0.358  1.000 93.498  ? 42  LYS BBB O   1 ? 9  
ATOM   1866 C CB  . LYS B 2 42  ? -10.213 -10.672 -0.011 1.000 120.619 ? 42  LYS BBB CB  1 ? 9  
ATOM   1867 C CG  . LYS B 2 42  ? -11.185 -9.752  -0.742 1.000 127.821 ? 42  LYS BBB CG  1 ? 9  
ATOM   1868 C CD  . LYS B 2 42  ? -11.922 -8.787  0.179  1.000 124.210 ? 42  LYS BBB CD  1 ? 9  
ATOM   1869 C CE  . LYS B 2 42  ? -13.385 -8.614  -0.182 1.000 124.298 ? 42  LYS BBB CE  1 ? 9  
ATOM   1870 N NZ  . LYS B 2 42  ? -14.034 -7.561  0.635  1.000 121.548 ? 42  LYS BBB NZ  1 ? 9  
ATOM   1871 N N   . GLU B 2 43  ? -7.269  -11.628 0.375  1.000 100.164 ? 43  GLU BBB N   1 ? 9  
ATOM   1872 C CA  . GLU B 2 43  ? -6.248  -12.104 1.347  1.000 94.667  ? 43  GLU BBB CA  1 ? 9  
ATOM   1873 C C   . GLU B 2 43  ? -6.794  -12.023 2.778  1.000 85.539  ? 43  GLU BBB C   1 ? 9  
ATOM   1874 O O   . GLU B 2 43  ? -7.587  -11.102 3.056  1.000 77.000  ? 43  GLU BBB O   1 ? 9  
ATOM   1875 C CB  . GLU B 2 43  ? -4.980  -11.262 1.239  1.000 97.359  ? 43  GLU BBB CB  1 ? 9  
ATOM   1876 C CG  . GLU B 2 43  ? -4.051  -11.728 0.140  1.000 107.326 ? 43  GLU BBB CG  1 ? 9  
ATOM   1877 C CD  . GLU B 2 43  ? -2.616  -11.280 0.337  1.000 115.480 ? 43  GLU BBB CD  1 ? 9  
ATOM   1878 O OE1 . GLU B 2 43  ? -2.407  -10.259 1.035  1.000 111.026 ? 43  GLU BBB OE1 1 ? 9  
ATOM   1879 O OE2 . GLU B 2 43  ? -1.714  -11.960 -0.194 1.000 124.070 ? 43  GLU BBB OE2 1 ? 9  
ATOM   1880 N N   . ARG B 2 44  ? -6.377  -12.959 3.642  1.000 77.282  ? 44  ARG BBB N   1 ? 9  
ATOM   1881 C CA  . ARG B 2 44  ? -6.582  -12.905 5.116  1.000 77.100  ? 44  ARG BBB CA  1 ? 9  
ATOM   1882 C C   . ARG B 2 44  ? -6.131  -11.534 5.639  1.000 73.662  ? 44  ARG BBB C   1 ? 9  
ATOM   1883 O O   . ARG B 2 44  ? -5.083  -11.044 5.171  1.000 76.370  ? 44  ARG BBB O   1 ? 9  
ATOM   1884 C CB  . ARG B 2 44  ? -5.781  -14.004 5.819  1.000 79.763  ? 44  ARG BBB CB  1 ? 9  
ATOM   1885 C CG  . ARG B 2 44  ? -6.303  -14.353 7.206  1.000 81.413  ? 44  ARG BBB CG  1 ? 9  
ATOM   1886 C CD  . ARG B 2 44  ? -5.334  -15.183 8.027  1.000 85.401  ? 44  ARG BBB CD  1 ? 9  
ATOM   1887 N NE  . ARG B 2 44  ? -5.114  -16.525 7.494  1.000 89.659  ? 44  ARG BBB NE  1 ? 9  
ATOM   1888 C CZ  . ARG B 2 44  ? -3.994  -16.959 6.913  1.000 96.040  ? 44  ARG BBB CZ  1 ? 9  
ATOM   1889 N NH1 . ARG B 2 44  ? -3.929  -18.205 6.472  1.000 103.500 ? 44  ARG BBB NH1 1 ? 9  
ATOM   1890 N NH2 . ARG B 2 44  ? -2.940  -16.170 6.773  1.000 94.070  ? 44  ARG BBB NH2 1 ? 9  
ATOM   1891 N N   . GLU B 2 45  ? -6.880  -10.958 6.586  1.000 69.123  ? 45  GLU BBB N   1 ? 9  
ATOM   1892 C CA  . GLU B 2 45  ? -6.656  -9.592  7.143  1.000 69.072  ? 45  GLU BBB CA  1 ? 9  
ATOM   1893 C C   . GLU B 2 45  ? -6.833  -9.611  8.667  1.000 64.597  ? 45  GLU BBB C   1 ? 9  
ATOM   1894 O O   . GLU B 2 45  ? -7.887  -10.077 9.141  1.000 60.165  ? 45  GLU BBB O   1 ? 9  
ATOM   1895 C CB  . GLU B 2 45  ? -7.633  -8.607  6.496  1.000 71.600  ? 45  GLU BBB CB  1 ? 9  
ATOM   1896 C CG  . GLU B 2 45  ? -7.589  -7.212  7.088  1.000 74.364  ? 45  GLU BBB CG  1 ? 9  
ATOM   1897 C CD  . GLU B 2 45  ? -8.577  -6.236  6.474  1.000 79.098  ? 45  GLU BBB CD  1 ? 9  
ATOM   1898 O OE1 . GLU B 2 45  ? -8.266  -5.025  6.455  1.000 81.528  ? 45  GLU BBB OE1 1 ? 9  
ATOM   1899 O OE2 . GLU B 2 45  ? -9.656  -6.685  6.027  1.000 78.386  ? 45  GLU BBB OE2 1 ? 9  
ATOM   1900 N N   . GLY B 2 46  ? -5.819  -9.146  9.401  1.000 58.384  ? 46  GLY BBB N   1 ? 10 
ATOM   1901 C CA  . GLY B 2 46  ? -5.893  -8.847  10.844 1.000 55.256  ? 46  GLY BBB CA  1 ? 10 
ATOM   1902 C C   . GLY B 2 46  ? -6.880  -7.717  11.120 1.000 55.789  ? 46  GLY BBB C   1 ? 10 
ATOM   1903 O O   . GLY B 2 46  ? -6.728  -6.634  10.542 1.000 62.186  ? 46  GLY BBB O   1 ? 10 
ATOM   1904 N N   . VAL B 2 47  ? -7.865  -7.981  11.972 1.000 53.852  ? 47  VAL BBB N   1 ? 10 
ATOM   1905 C CA  . VAL B 2 47  ? -8.975  -7.067  12.353 1.000 55.280  ? 47  VAL BBB CA  1 ? 10 
ATOM   1906 C C   . VAL B 2 47  ? -8.619  -6.414  13.686 1.000 52.072  ? 47  VAL BBB C   1 ? 10 
ATOM   1907 O O   . VAL B 2 47  ? -8.718  -5.183  13.807 1.000 49.126  ? 47  VAL BBB O   1 ? 10 
ATOM   1908 C CB  . VAL B 2 47  ? -10.280 -7.872  12.474 1.000 60.085  ? 47  VAL BBB CB  1 ? 10 
ATOM   1909 C CG1 . VAL B 2 47  ? -11.438 -7.025  12.956 1.000 64.665  ? 47  VAL BBB CG1 1 ? 10 
ATOM   1910 C CG2 . VAL B 2 47  ? -10.618 -8.558  11.170 1.000 63.432  ? 47  VAL BBB CG2 1 ? 10 
ATOM   1911 N N   . SER B 2 48  ? -8.239  -7.215  14.676 1.000 50.217  ? 48  SER BBB N   1 ? 10 
ATOM   1912 C CA  . SER B 2 48  ? -8.021  -6.699  16.050 1.000 52.402  ? 48  SER BBB CA  1 ? 10 
ATOM   1913 C C   . SER B 2 48  ? -7.173  -7.663  16.878 1.000 49.566  ? 48  SER BBB C   1 ? 10 
ATOM   1914 O O   . SER B 2 48  ? -7.184  -8.878  16.604 1.000 56.217  ? 48  SER BBB O   1 ? 10 
ATOM   1915 C CB  . SER B 2 48  ? -9.344  -6.411  16.708 1.000 51.502  ? 48  SER BBB CB  1 ? 10 
ATOM   1916 O OG  . SER B 2 48  ? -9.132  -5.847  17.981 1.000 53.689  ? 48  SER BBB OG  1 ? 10 
ATOM   1917 N N   . CYS B 2 49  ? -6.473  -7.137  17.873 1.000 47.371  ? 49  CYS BBB N   1 ? 10 
ATOM   1918 C CA  . CYS B 2 49  ? -5.616  -7.951  18.767 1.000 49.827  ? 49  CYS BBB CA  1 ? 10 
ATOM   1919 C C   . CYS B 2 49  ? -5.591  -7.324  20.152 1.000 47.033  ? 49  CYS BBB C   1 ? 10 
ATOM   1920 O O   . CYS B 2 49  ? -5.564  -6.098  20.243 1.000 45.308  ? 49  CYS BBB O   1 ? 10 
ATOM   1921 C CB  . CYS B 2 49  ? -4.196  -8.068  18.224 1.000 52.254  ? 49  CYS BBB CB  1 ? 10 
ATOM   1922 S SG  . CYS B 2 49  ? -3.127  -9.165  19.189 1.000 49.110  ? 49  CYS BBB SG  1 ? 10 
ATOM   1923 N N   . ILE B 2 50  ? -5.585  -8.161  21.179 1.000 47.514  ? 50  ILE BBB N   1 ? 10 
ATOM   1924 C CA  . ILE B 2 50  ? -5.465  -7.715  22.592 1.000 51.146  ? 50  ILE BBB CA  1 ? 10 
ATOM   1925 C C   . ILE B 2 50  ? -4.314  -8.501  23.203 1.000 50.877  ? 50  ILE BBB C   1 ? 10 
ATOM   1926 O O   . ILE B 2 50  ? -4.265  -9.737  22.995 1.000 52.059  ? 50  ILE BBB O   1 ? 10 
ATOM   1927 C CB  . ILE B 2 50  ? -6.787  -7.904  23.372 1.000 52.734  ? 50  ILE BBB CB  1 ? 10 
ATOM   1928 C CG1 . ILE B 2 50  ? -6.679  -7.328  24.783 1.000 53.072  ? 50  ILE BBB CG1 1 ? 10 
ATOM   1929 C CG2 . ILE B 2 50  ? -7.225  -9.361  23.403 1.000 53.179  ? 50  ILE BBB CG2 1 ? 10 
ATOM   1930 C CD1 . ILE B 2 50  ? -8.026  -7.051  25.410 1.000 61.251  ? 50  ILE BBB CD1 1 ? 10 
ATOM   1931 N N   . ALA B 2 51  ? -3.436  -7.815  23.923 1.000 48.045  ? 51  ALA BBB N   1 ? 10 
ATOM   1932 C CA  . ALA B 2 51  ? -2.250  -8.437  24.547 1.000 48.256  ? 51  ALA BBB CA  1 ? 10 
ATOM   1933 C C   . ALA B 2 51  ? -2.682  -9.303  25.732 1.000 48.617  ? 51  ALA BBB C   1 ? 10 
ATOM   1934 O O   . ALA B 2 51  ? -3.829  -9.170  26.203 1.000 44.775  ? 51  ALA BBB O   1 ? 10 
ATOM   1935 C CB  . ALA B 2 51  ? -1.281  -7.366  24.978 1.000 50.686  ? 51  ALA BBB CB  1 ? 10 
ATOM   1936 N N   . SER B 2 52  ? -1.763  -10.147 26.197 1.000 48.003  ? 52  SER BBB N   1 ? 10 
ATOM   1937 C CA  . SER B 2 52  ? -1.892  -10.989 27.413 1.000 50.739  ? 52  SER BBB CA  1 ? 10 
ATOM   1938 C C   . SER B 2 52  ? -2.290  -10.093 28.588 1.000 53.508  ? 52  SER BBB C   1 ? 10 
ATOM   1939 O O   . SER B 2 52  ? -3.068  -10.539 29.434 1.000 52.202  ? 52  SER BBB O   1 ? 10 
ATOM   1940 C CB  . SER B 2 52  ? -0.613  -11.749 27.680 1.000 48.470  ? 52  SER BBB CB  1 ? 10 
ATOM   1941 O OG  . SER B 2 52  ? -0.558  -12.209 29.014 1.000 51.835  ? 52  SER BBB OG  1 ? 10 
ATOM   1942 N N   . SER B 2 53  ? -1.788  -8.859  28.603 1.000 53.163  ? 53  SER BBB N   1 ? 10 
ATOM   1943 C CA  . SER B 2 53  ? -1.963  -7.884  29.708 1.000 55.701  ? 53  SER BBB CA  1 ? 10 
ATOM   1944 C C   . SER B 2 53  ? -3.384  -7.321  29.703 1.000 52.047  ? 53  SER BBB C   1 ? 10 
ATOM   1945 O O   . SER B 2 53  ? -3.740  -6.670  30.686 1.000 57.400  ? 53  SER BBB O   1 ? 10 
ATOM   1946 C CB  . SER B 2 53  ? -0.969  -6.771  29.589 1.000 56.203  ? 53  SER BBB CB  1 ? 10 
ATOM   1947 O OG  . SER B 2 53  ? -1.346  -5.919  28.521 1.000 55.256  ? 53  SER BBB OG  1 ? 10 
ATOM   1948 N N   . GLY B 2 54  ? -4.108  -7.478  28.594 1.000 52.857  ? 54  GLY BBB N   1 ? 10 
ATOM   1949 C CA  . GLY B 2 54  ? -5.516  -7.066  28.427 1.000 53.189  ? 54  GLY BBB CA  1 ? 10 
ATOM   1950 C C   . GLY B 2 54  ? -5.712  -5.560  28.293 1.000 55.060  ? 54  GLY BBB C   1 ? 10 
ATOM   1951 O O   . GLY B 2 54  ? -6.873  -5.162  28.200 1.000 61.719  ? 54  GLY BBB O   1 ? 10 
ATOM   1952 N N   . ASP B 2 55  ? -4.647  -4.744  28.274 1.000 55.678  ? 55  ASP BBB N   1 ? 10 
ATOM   1953 C CA  . ASP B 2 55  ? -4.753  -3.254  28.257 1.000 57.377  ? 55  ASP BBB CA  1 ? 10 
ATOM   1954 C C   . ASP B 2 55  ? -3.937  -2.652  27.097 1.000 56.325  ? 55  ASP BBB C   1 ? 10 
ATOM   1955 O O   . ASP B 2 55  ? -3.745  -1.422  27.107 1.000 54.509  ? 55  ASP BBB O   1 ? 10 
ATOM   1956 C CB  . ASP B 2 55  ? -4.303  -2.670  29.597 1.000 58.385  ? 55  ASP BBB CB  1 ? 10 
ATOM   1957 C CG  . ASP B 2 55  ? -2.833  -2.930  29.872 1.000 60.304  ? 55  ASP BBB CG  1 ? 10 
ATOM   1958 O OD1 . ASP B 2 55  ? -2.195  -3.596  29.041 1.000 60.480  ? 55  ASP BBB OD1 1 ? 10 
ATOM   1959 O OD2 . ASP B 2 55  ? -2.336  -2.460  30.896 1.000 69.913  ? 55  ASP BBB OD2 1 ? 10 
ATOM   1960 N N   . ARG B 2 56  ? -3.436  -3.474  26.165 1.000 52.020  ? 56  ARG BBB N   1 ? 10 
ATOM   1961 C CA  . ARG B 2 56  ? -2.934  -3.019  24.839 1.000 54.007  ? 56  ARG BBB CA  1 ? 10 
ATOM   1962 C C   . ARG B 2 56  ? -3.806  -3.695  23.777 1.000 50.388  ? 56  ARG BBB C   1 ? 10 
ATOM   1963 O O   . ARG B 2 56  ? -3.974  -4.927  23.850 1.000 49.319  ? 56  ARG BBB O   1 ? 10 
ATOM   1964 C CB  . ARG B 2 56  ? -1.457  -3.360  24.583 1.000 52.702  ? 56  ARG BBB CB  1 ? 10 
ATOM   1965 C CG  . ARG B 2 56  ? -0.512  -3.213  25.768 1.000 57.942  ? 56  ARG BBB CG  1 ? 10 
ATOM   1966 C CD  . ARG B 2 56  ? -0.308  -1.780  26.190 1.000 61.634  ? 56  ARG BBB CD  1 ? 10 
ATOM   1967 N NE  . ARG B 2 56  ? 0.984   -1.470  26.813 1.000 61.373  ? 56  ARG BBB NE  1 ? 10 
ATOM   1968 C CZ  . ARG B 2 56  ? 1.223   -1.380  28.124 1.000 65.683  ? 56  ARG BBB CZ  1 ? 10 
ATOM   1969 N NH1 . ARG B 2 56  ? 0.282   -1.651  29.017 1.000 73.000  ? 56  ARG BBB NH1 1 ? 10 
ATOM   1970 N NH2 . ARG B 2 56  ? 2.424   -1.026  28.544 1.000 67.976  ? 56  ARG BBB NH2 1 ? 10 
ATOM   1971 N N   . THR B 2 57  ? -4.367  -2.910  22.859 1.000 50.385  ? 57  THR BBB N   1 ? 10 
ATOM   1972 C CA  . THR B 2 57  ? -5.218  -3.375  21.734 1.000 51.362  ? 57  THR BBB CA  1 ? 10 
ATOM   1973 C C   . THR B 2 57  ? -4.789  -2.667  20.453 1.000 50.388  ? 57  THR BBB C   1 ? 10 
ATOM   1974 O O   . THR B 2 57  ? -4.342  -1.513  20.533 1.000 57.719  ? 57  THR BBB O   1 ? 10 
ATOM   1975 C CB  . THR B 2 57  ? -6.708  -3.139  22.012 1.000 52.525  ? 57  THR BBB CB  1 ? 10 
ATOM   1976 O OG1 . THR B 2 57  ? -6.894  -1.753  22.267 1.000 56.741  ? 57  THR BBB OG1 1 ? 10 
ATOM   1977 C CG2 . THR B 2 57  ? -7.220  -3.927  23.196 1.000 52.489  ? 57  THR BBB CG2 1 ? 10 
ATOM   1978 N N   . ILE B 2 58  ? -4.892  -3.348  19.317 1.000 52.802  ? 58  ILE BBB N   1 ? 10 
ATOM   1979 C CA  . ILE B 2 58  ? -4.705  -2.716  17.981 1.000 48.179  ? 58  ILE BBB CA  1 ? 10 
ATOM   1980 C C   . ILE B 2 58  ? -5.882  -3.093  17.102 1.000 47.696  ? 58  ILE BBB C   1 ? 10 
ATOM   1981 O O   . ILE B 2 58  ? -6.542  -4.105  17.384 1.000 49.639  ? 58  ILE BBB O   1 ? 10 
ATOM   1982 C CB  . ILE B 2 58  ? -3.376  -3.121  17.331 1.000 48.209  ? 58  ILE BBB CB  1 ? 10 
ATOM   1983 C CG1 . ILE B 2 58  ? -3.250  -4.646  17.245 1.000 47.499  ? 58  ILE BBB CG1 1 ? 10 
ATOM   1984 C CG2 . ILE B 2 58  ? -2.221  -2.460  18.069 1.000 41.827  ? 58  ILE BBB CG2 1 ? 10 
ATOM   1985 C CD1 . ILE B 2 58  ? -2.057  -5.112  16.421 1.000 49.931  ? 58  ILE BBB CD1 1 ? 10 
ATOM   1986 N N   . TYR B 2 59  ? -6.086  -2.290  16.068 1.000 48.765  ? 59  TYR BBB N   1 ? 10 
ATOM   1987 C CA  . TYR B 2 59  ? -7.236  -2.358  15.145 1.000 48.177  ? 59  TYR BBB CA  1 ? 10 
ATOM   1988 C C   . TYR B 2 59  ? -6.728  -2.021  13.751 1.000 49.975  ? 59  TYR BBB C   1 ? 10 
ATOM   1989 O O   . TYR B 2 59  ? -5.889  -1.118  13.622 1.000 53.486  ? 59  TYR BBB O   1 ? 10 
ATOM   1990 C CB  . TYR B 2 59  ? -8.322  -1.368  15.574 1.000 49.907  ? 59  TYR BBB CB  1 ? 10 
ATOM   1991 C CG  . TYR B 2 59  ? -8.952  -1.642  16.916 1.000 47.602  ? 59  TYR BBB CG  1 ? 10 
ATOM   1992 C CD1 . TYR B 2 59  ? -9.953  -2.592  17.049 1.000 49.379  ? 59  TYR BBB CD1 1 ? 10 
ATOM   1993 C CD2 . TYR B 2 59  ? -8.529  -0.982  18.059 1.000 47.780  ? 59  TYR BBB CD2 1 ? 10 
ATOM   1994 C CE1 . TYR B 2 59  ? -10.534 -2.871  18.276 1.000 49.862  ? 59  TYR BBB CE1 1 ? 10 
ATOM   1995 C CE2 . TYR B 2 59  ? -9.099  -1.249  19.297 1.000 50.331  ? 59  TYR BBB CE2 1 ? 10 
ATOM   1996 C CZ  . TYR B 2 59  ? -10.112 -2.191  19.404 1.000 49.556  ? 59  TYR BBB CZ  1 ? 10 
ATOM   1997 O OH  . TYR B 2 59  ? -10.692 -2.471  20.608 1.000 51.461  ? 59  TYR BBB OH  1 ? 10 
ATOM   1998 N N   . ALA B 2 60  ? -7.241  -2.718  12.743 1.000 50.013  ? 60  ALA BBB N   1 ? 10 
ATOM   1999 C CA  . ALA B 2 60  ? -7.167  -2.287  11.334 1.000 48.749  ? 60  ALA BBB CA  1 ? 10 
ATOM   2000 C C   . ALA B 2 60  ? -7.819  -0.904  11.234 1.000 46.103  ? 60  ALA BBB C   1 ? 10 
ATOM   2001 O O   . ALA B 2 60  ? -8.861  -0.702  11.872 1.000 50.486  ? 60  ALA BBB O   1 ? 10 
ATOM   2002 C CB  . ALA B 2 60  ? -7.857  -3.308  10.457 1.000 48.308  ? 60  ALA BBB CB  1 ? 10 
ATOM   2003 N N   . ASP B 2 61  ? -7.255  0.005   10.445 1.000 48.510  ? 61  ASP BBB N   1 ? 10 
ATOM   2004 C CA  . ASP B 2 61  ? -7.805  1.373   10.261 1.000 52.310  ? 61  ASP BBB CA  1 ? 10 
ATOM   2005 C C   . ASP B 2 61  ? -9.316  1.326   10.006 1.000 54.350  ? 61  ASP BBB C   1 ? 10 
ATOM   2006 O O   . ASP B 2 61  ? -10.038 2.136   10.611 1.000 55.948  ? 61  ASP BBB O   1 ? 10 
ATOM   2007 C CB  . ASP B 2 61  ? -7.094  2.102   9.127  1.000 57.947  ? 61  ASP BBB CB  1 ? 10 
ATOM   2008 C CG  . ASP B 2 61  ? -5.714  2.608   9.502  1.000 67.687  ? 61  ASP BBB CG  1 ? 10 
ATOM   2009 O OD1 . ASP B 2 61  ? -5.227  2.288   10.626 1.000 67.500  ? 61  ASP BBB OD1 1 ? 10 
ATOM   2010 O OD2 . ASP B 2 61  ? -5.135  3.321   8.668  1.000 82.434  ? 61  ASP BBB OD2 1 ? 10 
ATOM   2011 N N   . SER B 2 62  ? -9.796  0.414   9.160  1.000 54.272  ? 62  SER BBB N   1 ? 10 
ATOM   2012 C CA  . SER B 2 62  ? -11.185 0.464   8.629  1.000 57.229  ? 62  SER BBB CA  1 ? 10 
ATOM   2013 C C   . SER B 2 62  ? -12.200 0.074   9.716  1.000 56.179  ? 62  SER BBB C   1 ? 10 
ATOM   2014 O O   . SER B 2 62  ? -13.398 0.288   9.495  1.000 53.898  ? 62  SER BBB O   1 ? 10 
ATOM   2015 C CB  . SER B 2 62  ? -11.320 -0.389  7.389  1.000 56.076  ? 62  SER BBB CB  1 ? 10 
ATOM   2016 O OG  . SER B 2 62  ? -11.146 -1.756  7.711  1.000 53.480  ? 62  SER BBB OG  1 ? 10 
ATOM   2017 N N   . VAL B 2 63  ? -11.764 -0.470  10.859 1.000 57.089  ? 63  VAL BBB N   1 ? 10 
ATOM   2018 C CA  . VAL B 2 63  ? -12.718 -0.981  11.890 1.000 55.285  ? 63  VAL BBB CA  1 ? 10 
ATOM   2019 C C   . VAL B 2 63  ? -12.662 -0.126  13.168 1.000 53.987  ? 63  VAL BBB C   1 ? 10 
ATOM   2020 O O   . VAL B 2 63  ? -13.553 -0.298  14.034 1.000 54.962  ? 63  VAL BBB O   1 ? 10 
ATOM   2021 C CB  . VAL B 2 63  ? -12.492 -2.477  12.175 1.000 54.746  ? 63  VAL BBB CB  1 ? 10 
ATOM   2022 C CG1 . VAL B 2 63  ? -12.355 -3.245  10.880 1.000 58.319  ? 63  VAL BBB CG1 1 ? 10 
ATOM   2023 C CG2 . VAL B 2 63  ? -11.302 -2.743  13.090 1.000 55.238  ? 63  VAL BBB CG2 1 ? 10 
ATOM   2024 N N   . LYS B 2 64  ? -11.704 0.787   13.289 1.000 51.173  ? 64  LYS BBB N   1 ? 10 
ATOM   2025 C CA  . LYS B 2 64  ? -11.654 1.712   14.452 1.000 51.345  ? 64  LYS BBB CA  1 ? 10 
ATOM   2026 C C   . LYS B 2 64  ? -13.022 2.364   14.626 1.000 51.363  ? 64  LYS BBB C   1 ? 10 
ATOM   2027 O O   . LYS B 2 64  ? -13.590 2.864   13.609 1.000 51.591  ? 64  LYS BBB O   1 ? 10 
ATOM   2028 C CB  . LYS B 2 64  ? -10.580 2.780   14.273 1.000 50.166  ? 64  LYS BBB CB  1 ? 10 
ATOM   2029 C CG  . LYS B 2 64  ? -9.172  2.225   14.167 1.000 50.696  ? 64  LYS BBB CG  1 ? 10 
ATOM   2030 C CD  . LYS B 2 64  ? -8.107  3.276   14.158 1.000 52.653  ? 64  LYS BBB CD  1 ? 10 
ATOM   2031 C CE  . LYS B 2 64  ? -6.750  2.698   14.481 1.000 57.464  ? 64  LYS BBB CE  1 ? 10 
ATOM   2032 N NZ  . LYS B 2 64  ? -5.663  3.590   14.019 1.000 64.464  ? 64  LYS BBB NZ  1 ? 10 
ATOM   2033 N N   . GLY B 2 65  ? -13.537 2.343   15.859 1.000 52.330  ? 65  GLY BBB N   1 ? 10 
ATOM   2034 C CA  . GLY B 2 65  ? -14.811 3.002   16.227 1.000 52.484  ? 65  GLY BBB CA  1 ? 10 
ATOM   2035 C C   . GLY B 2 65  ? -16.017 2.179   15.815 1.000 53.018  ? 65  GLY BBB C   1 ? 10 
ATOM   2036 O O   . GLY B 2 65  ? -17.138 2.605   16.122 1.000 57.009  ? 65  GLY BBB O   1 ? 10 
ATOM   2037 N N   . ARG B 2 66  ? -15.806 1.046   15.136 1.000 52.503  ? 66  ARG BBB N   1 ? 10 
ATOM   2038 C CA  . ARG B 2 66  ? -16.879 0.087   14.760 1.000 56.291  ? 66  ARG BBB CA  1 ? 10 
ATOM   2039 C C   . ARG B 2 66  ? -16.722 -1.180  15.604 1.000 56.347  ? 66  ARG BBB C   1 ? 10 
ATOM   2040 O O   . ARG B 2 66  ? -17.734 -1.625  16.192 1.000 61.400  ? 66  ARG BBB O   1 ? 10 
ATOM   2041 C CB  . ARG B 2 66  ? -16.847 -0.221  13.259 1.000 53.582  ? 66  ARG BBB CB  1 ? 10 
ATOM   2042 C CG  . ARG B 2 66  ? -16.901 1.029   12.400 1.000 56.550  ? 66  ARG BBB CG  1 ? 10 
ATOM   2043 C CD  . ARG B 2 66  ? -17.232 0.795   10.938 1.000 58.856  ? 66  ARG BBB CD  1 ? 10 
ATOM   2044 N NE  . ARG B 2 66  ? -16.255 -0.011  10.212 1.000 59.092  ? 66  ARG BBB NE  1 ? 10 
ATOM   2045 C CZ  . ARG B 2 66  ? -16.482 -1.225  9.721  1.000 60.320  ? 66  ARG BBB CZ  1 ? 10 
ATOM   2046 N NH1 . ARG B 2 66  ? -17.649 -1.819  9.904  1.000 61.422  ? 66  ARG BBB NH1 1 ? 10 
ATOM   2047 N NH2 . ARG B 2 66  ? -15.532 -1.858  9.054  1.000 64.055  ? 66  ARG BBB NH2 1 ? 10 
ATOM   2048 N N   . PHE B 2 67  ? -15.510 -1.742  15.638 1.000 56.958  ? 67  PHE BBB N   1 ? 10 
ATOM   2049 C CA  . PHE B 2 67  ? -15.185 -3.008  16.345 1.000 56.055  ? 67  PHE BBB CA  1 ? 10 
ATOM   2050 C C   . PHE B 2 67  ? -14.402 -2.683  17.613 1.000 54.268  ? 67  PHE BBB C   1 ? 10 
ATOM   2051 O O   . PHE B 2 67  ? -13.485 -1.854  17.546 1.000 55.217  ? 67  PHE BBB O   1 ? 10 
ATOM   2052 C CB  . PHE B 2 67  ? -14.389 -3.966  15.460 1.000 54.627  ? 67  PHE BBB CB  1 ? 10 
ATOM   2053 C CG  . PHE B 2 67  ? -15.081 -4.447  14.209 1.000 56.481  ? 67  PHE BBB CG  1 ? 10 
ATOM   2054 C CD1 . PHE B 2 67  ? -16.309 -3.946  13.814 1.000 55.913  ? 67  PHE BBB CD1 1 ? 10 
ATOM   2055 C CD2 . PHE B 2 67  ? -14.456 -5.369  13.387 1.000 56.998  ? 67  PHE BBB CD2 1 ? 10 
ATOM   2056 C CE1 . PHE B 2 67  ? -16.905 -4.381  12.642 1.000 59.776  ? 67  PHE BBB CE1 1 ? 10 
ATOM   2057 C CE2 . PHE B 2 67  ? -15.058 -5.803  12.217 1.000 59.701  ? 67  PHE BBB CE2 1 ? 10 
ATOM   2058 C CZ  . PHE B 2 67  ? -16.283 -5.306  11.846 1.000 57.001  ? 67  PHE BBB CZ  1 ? 10 
ATOM   2059 N N   . THR B 2 68  ? -14.812 -3.300  18.723 1.000 54.135  ? 68  THR BBB N   1 ? 10 
ATOM   2060 C CA  . THR B 2 68  ? -14.125 -3.278  20.033 1.000 54.588  ? 68  THR BBB CA  1 ? 10 
ATOM   2061 C C   . THR B 2 68  ? -13.773 -4.714  20.435 1.000 57.273  ? 68  THR BBB C   1 ? 10 
ATOM   2062 O O   . THR B 2 68  ? -14.678 -5.576  20.462 1.000 59.785  ? 68  THR BBB O   1 ? 10 
ATOM   2063 C CB  . THR B 2 68  ? -14.998 -2.604  21.092 1.000 55.684  ? 68  THR BBB CB  1 ? 10 
ATOM   2064 O OG1 . THR B 2 68  ? -15.286 -1.300  20.590 1.000 55.756  ? 68  THR BBB OG1 1 ? 10 
ATOM   2065 C CG2 . THR B 2 68  ? -14.332 -2.527  22.450 1.000 55.151  ? 68  THR BBB CG2 1 ? 10 
ATOM   2066 N N   . ILE B 2 69  ? -12.501 -4.948  20.745 1.000 57.084  ? 69  ILE BBB N   1 ? 10 
ATOM   2067 C CA  . ILE B 2 69  ? -12.010 -6.225  21.337 1.000 56.385  ? 69  ILE BBB CA  1 ? 10 
ATOM   2068 C C   . ILE B 2 69  ? -11.971 -6.068  22.856 1.000 53.110  ? 69  ILE BBB C   1 ? 10 
ATOM   2069 O O   . ILE B 2 69  ? -11.663 -4.976  23.349 1.000 57.725  ? 69  ILE BBB O   1 ? 10 
ATOM   2070 C CB  . ILE B 2 69  ? -10.642 -6.627  20.765 1.000 52.130  ? 69  ILE BBB CB  1 ? 10 
ATOM   2071 C CG1 . ILE B 2 69  ? -10.350 -8.109  21.002 1.000 54.812  ? 69  ILE BBB CG1 1 ? 10 
ATOM   2072 C CG2 . ILE B 2 69  ? -9.541  -5.740  21.319 1.000 51.512  ? 69  ILE BBB CG2 1 ? 10 
ATOM   2073 C CD1 . ILE B 2 69  ? -9.101  -8.597  20.273 1.000 56.000  ? 69  ILE BBB CD1 1 ? 10 
ATOM   2074 N N   . SER B 2 70  ? -12.298 -7.137  23.560 1.000 54.660  ? 70  SER BBB N   1 ? 10 
ATOM   2075 C CA  . SER B 2 70  ? -12.315 -7.200  25.042 1.000 58.493  ? 70  SER BBB CA  1 ? 10 
ATOM   2076 C C   . SER B 2 70  ? -12.025 -8.646  25.432 1.000 60.349  ? 70  SER BBB C   1 ? 10 
ATOM   2077 O O   . SER B 2 70  ? -12.136 -9.527  24.551 1.000 58.306  ? 70  SER BBB O   1 ? 10 
ATOM   2078 C CB  . SER B 2 70  ? -13.641 -6.726  25.605 1.000 61.091  ? 70  SER BBB CB  1 ? 10 
ATOM   2079 O OG  . SER B 2 70  ? -14.742 -7.316  24.918 1.000 63.386  ? 70  SER BBB OG  1 ? 10 
ATOM   2080 N N   . ARG B 2 71  ? -11.669 -8.889  26.690 1.000 62.443  ? 71  ARG BBB N   1 ? 10 
ATOM   2081 C CA  . ARG B 2 71  ? -11.462 -10.273 27.186 1.000 65.107  ? 71  ARG BBB CA  1 ? 10 
ATOM   2082 C C   . ARG B 2 71  ? -11.923 -10.359 28.635 1.000 68.289  ? 71  ARG BBB C   1 ? 10 
ATOM   2083 O O   . ARG B 2 71  ? -11.811 -9.360  29.355 1.000 67.223  ? 71  ARG BBB O   1 ? 10 
ATOM   2084 C CB  . ARG B 2 71  ? -9.999  -10.702 27.033 1.000 61.903  ? 71  ARG BBB CB  1 ? 10 
ATOM   2085 C CG  . ARG B 2 71  ? -9.005  -9.901  27.860 1.000 61.856  ? 71  ARG BBB CG  1 ? 10 
ATOM   2086 C CD  . ARG B 2 71  ? -7.569  -10.258 27.488 1.000 60.275  ? 71  ARG BBB CD  1 ? 10 
ATOM   2087 N NE  . ARG B 2 71  ? -7.359  -11.697 27.542 1.000 58.575  ? 71  ARG BBB NE  1 ? 10 
ATOM   2088 C CZ  . ARG B 2 71  ? -6.347  -12.360 27.006 1.000 58.237  ? 71  ARG BBB CZ  1 ? 10 
ATOM   2089 N NH1 . ARG B 2 71  ? -5.368  -11.732 26.374 1.000 62.650  ? 71  ARG BBB NH1 1 ? 10 
ATOM   2090 N NH2 . ARG B 2 71  ? -6.306  -13.674 27.130 1.000 60.590  ? 71  ARG BBB NH2 1 ? 10 
ATOM   2091 N N   . ASP B 2 72  ? -12.458 -11.517 29.005 1.000 72.421  ? 72  ASP BBB N   1 ? 10 
ATOM   2092 C CA  . ASP B 2 72  ? -12.842 -11.853 30.393 1.000 73.324  ? 72  ASP BBB CA  1 ? 10 
ATOM   2093 C C   . ASP B 2 72  ? -11.914 -12.978 30.821 1.000 70.643  ? 72  ASP BBB C   1 ? 10 
ATOM   2094 O O   . ASP B 2 72  ? -12.037 -14.080 30.254 1.000 69.449  ? 72  ASP BBB O   1 ? 10 
ATOM   2095 C CB  . ASP B 2 72  ? -14.309 -12.258 30.474 1.000 76.650  ? 72  ASP BBB CB  1 ? 10 
ATOM   2096 C CG  . ASP B 2 72  ? -14.835 -12.285 31.896 1.000 81.479  ? 72  ASP BBB CG  1 ? 10 
ATOM   2097 O OD1 . ASP B 2 72  ? -14.110 -12.773 32.791 1.000 84.696  ? 72  ASP BBB OD1 1 ? 10 
ATOM   2098 O OD2 . ASP B 2 72  ? -15.961 -11.809 32.094 1.000 85.328  ? 72  ASP BBB OD2 1 ? 10 
ATOM   2099 N N   . TYR B 2 73  ? -10.979 -12.683 31.718 1.000 70.461  ? 73  TYR BBB N   1 ? 10 
ATOM   2100 C CA  . TYR B 2 73  ? -9.993  -13.672 32.223 1.000 73.971  ? 73  TYR BBB CA  1 ? 10 
ATOM   2101 C C   . TYR B 2 73  ? -10.724 -14.750 33.035 1.000 79.757  ? 73  TYR BBB C   1 ? 10 
ATOM   2102 O O   . TYR B 2 73  ? -10.388 -15.942 32.867 1.000 81.208  ? 73  TYR BBB O   1 ? 10 
ATOM   2103 C CB  . TYR B 2 73  ? -8.913  -12.974 33.046 1.000 72.641  ? 73  TYR BBB CB  1 ? 10 
ATOM   2104 C CG  . TYR B 2 73  ? -7.980  -12.122 32.230 1.000 68.667  ? 73  TYR BBB CG  1 ? 10 
ATOM   2105 C CD1 . TYR B 2 73  ? -6.921  -12.689 31.543 1.000 66.207  ? 73  TYR BBB CD1 1 ? 10 
ATOM   2106 C CD2 . TYR B 2 73  ? -8.139  -10.750 32.164 1.000 66.552  ? 73  TYR BBB CD2 1 ? 10 
ATOM   2107 C CE1 . TYR B 2 73  ? -6.050  -11.918 30.791 1.000 63.176  ? 73  TYR BBB CE1 1 ? 10 
ATOM   2108 C CE2 . TYR B 2 73  ? -7.280  -9.963  31.421 1.000 66.360  ? 73  TYR BBB CE2 1 ? 10 
ATOM   2109 C CZ  . TYR B 2 73  ? -6.230  -10.549 30.735 1.000 63.027  ? 73  TYR BBB CZ  1 ? 10 
ATOM   2110 O OH  . TYR B 2 73  ? -5.369  -9.774  30.022 1.000 61.475  ? 73  TYR BBB OH  1 ? 10 
ATOM   2111 N N   . GLY B 2 74  ? -11.690 -14.340 33.869 1.000 80.923  ? 74  GLY BBB N   1 ? 10 
ATOM   2112 C CA  . GLY B 2 74  ? -12.547 -15.242 34.660 1.000 89.046  ? 74  GLY BBB CA  1 ? 10 
ATOM   2113 C C   . GLY B 2 74  ? -13.216 -16.290 33.786 1.000 91.826  ? 74  GLY BBB C   1 ? 10 
ATOM   2114 O O   . GLY B 2 74  ? -13.141 -17.483 34.126 1.000 95.263  ? 74  GLY BBB O   1 ? 10 
ATOM   2115 N N   . LYS B 2 75  ? -13.838 -15.862 32.686 1.000 90.210  ? 75  LYS BBB N   1 ? 10 
ATOM   2116 C CA  . LYS B 2 75  ? -14.592 -16.744 31.757 1.000 91.694  ? 75  LYS BBB CA  1 ? 10 
ATOM   2117 C C   . LYS B 2 75  ? -13.643 -17.280 30.678 1.000 84.426  ? 75  LYS BBB C   1 ? 10 
ATOM   2118 O O   . LYS B 2 75  ? -14.085 -18.081 29.847 1.000 82.354  ? 75  LYS BBB O   1 ? 10 
ATOM   2119 C CB  . LYS B 2 75  ? -15.769 -15.980 31.141 1.000 93.535  ? 75  LYS BBB CB  1 ? 10 
ATOM   2120 C CG  . LYS B 2 75  ? -16.796 -15.448 32.133 1.000 97.503  ? 75  LYS BBB CG  1 ? 10 
ATOM   2121 C CD  . LYS B 2 75  ? -17.855 -14.567 31.484 1.000 98.803  ? 75  LYS BBB CD  1 ? 10 
ATOM   2122 C CE  . LYS B 2 75  ? -19.161 -14.529 32.252 1.000 102.874 ? 75  LYS BBB CE  1 ? 10 
ATOM   2123 N NZ  . LYS B 2 75  ? -20.312 -14.241 31.361 1.000 103.195 ? 75  LYS BBB NZ  1 ? 10 
ATOM   2124 N N   . ASN B 2 76  ? -12.386 -16.839 30.679 1.000 83.899  ? 76  ASN BBB N   1 ? 10 
ATOM   2125 C CA  . ASN B 2 76  ? -11.333 -17.336 29.755 1.000 81.562  ? 76  ASN BBB CA  1 ? 10 
ATOM   2126 C C   . ASN B 2 76  ? -11.788 -17.162 28.293 1.000 79.081  ? 76  ASN BBB C   1 ? 10 
ATOM   2127 O O   . ASN B 2 76  ? -11.535 -18.078 27.466 1.000 76.016  ? 76  ASN BBB O   1 ? 10 
ATOM   2128 C CB  . ASN B 2 76  ? -10.984 -18.794 30.079 1.000 85.486  ? 76  ASN BBB CB  1 ? 10 
ATOM   2129 C CG  . ASN B 2 76  ? -9.764  -19.268 29.326 1.000 83.563  ? 76  ASN BBB CG  1 ? 10 
ATOM   2130 O OD1 . ASN B 2 76  ? -8.728  -18.611 29.353 1.000 89.655  ? 76  ASN BBB OD1 1 ? 10 
ATOM   2131 N ND2 . ASN B 2 76  ? -9.901  -20.361 28.596 1.000 84.038  ? 76  ASN BBB ND2 1 ? 10 
ATOM   2132 N N   . THR B 2 77  ? -12.447 -16.044 27.967 1.000 75.580  ? 77  THR BBB N   1 ? 10 
ATOM   2133 C CA  . THR B 2 77  ? -12.921 -15.773 26.584 1.000 75.241  ? 77  THR BBB CA  1 ? 10 
ATOM   2134 C C   . THR B 2 77  ? -12.485 -14.382 26.121 1.000 66.913  ? 77  THR BBB C   1 ? 10 
ATOM   2135 O O   . THR B 2 77  ? -12.283 -13.481 26.956 1.000 64.328  ? 77  THR BBB O   1 ? 10 
ATOM   2136 C CB  . THR B 2 77  ? -14.441 -15.941 26.427 1.000 82.065  ? 77  THR BBB CB  1 ? 10 
ATOM   2137 O OG1 . THR B 2 77  ? -15.125 -14.864 27.067 1.000 86.694  ? 77  THR BBB OG1 1 ? 10 
ATOM   2138 C CG2 . THR B 2 77  ? -14.950 -17.258 26.967 1.000 82.425  ? 77  THR BBB CG2 1 ? 10 
ATOM   2139 N N   . VAL B 2 78  ? -12.356 -14.236 24.809 1.000 65.333  ? 78  VAL BBB N   1 ? 10 
ATOM   2140 C CA  . VAL B 2 78  ? -12.124 -12.931 24.134 1.000 64.192  ? 78  VAL BBB CA  1 ? 10 
ATOM   2141 C C   . VAL B 2 78  ? -13.330 -12.659 23.237 1.000 66.495  ? 78  VAL BBB C   1 ? 10 
ATOM   2142 O O   . VAL B 2 78  ? -13.893 -13.636 22.707 1.000 66.166  ? 78  VAL BBB O   1 ? 10 
ATOM   2143 C CB  . VAL B 2 78  ? -10.793 -12.951 23.364 1.000 61.307  ? 78  VAL BBB CB  1 ? 10 
ATOM   2144 C CG1 . VAL B 2 78  ? -10.495 -11.616 22.689 1.000 57.325  ? 78  VAL BBB CG1 1 ? 10 
ATOM   2145 C CG2 . VAL B 2 78  ? -9.667  -13.350 24.299 1.000 59.808  ? 78  VAL BBB CG2 1 ? 10 
ATOM   2146 N N   . TYR B 2 79  ? -13.714 -11.384 23.113 1.000 66.115  ? 79  TYR BBB N   1 ? 10 
ATOM   2147 C CA  . TYR B 2 79  ? -14.931 -10.919 22.395 1.000 68.275  ? 79  TYR BBB CA  1 ? 10 
ATOM   2148 C C   . TYR B 2 79  ? -14.527 -9.910  21.317 1.000 64.005  ? 79  TYR BBB C   1 ? 10 
ATOM   2149 O O   . TYR B 2 79  ? -13.597 -9.124  21.561 1.000 58.471  ? 79  TYR BBB O   1 ? 10 
ATOM   2150 C CB  . TYR B 2 79  ? -15.935 -10.291 23.370 1.000 69.570  ? 79  TYR BBB CB  1 ? 10 
ATOM   2151 C CG  . TYR B 2 79  ? -16.299 -11.105 24.594 1.000 71.755  ? 79  TYR BBB CG  1 ? 10 
ATOM   2152 C CD1 . TYR B 2 79  ? -17.237 -12.130 24.527 1.000 76.135  ? 79  TYR BBB CD1 1 ? 10 
ATOM   2153 C CD2 . TYR B 2 79  ? -15.763 -10.810 25.841 1.000 68.913  ? 79  TYR BBB CD2 1 ? 10 
ATOM   2154 C CE1 . TYR B 2 79  ? -17.599 -12.863 25.651 1.000 77.710  ? 79  TYR BBB CE1 1 ? 10 
ATOM   2155 C CE2 . TYR B 2 79  ? -16.115 -11.531 26.974 1.000 74.310  ? 79  TYR BBB CE2 1 ? 10 
ATOM   2156 C CZ  . TYR B 2 79  ? -17.038 -12.563 26.883 1.000 78.531  ? 79  TYR BBB CZ  1 ? 10 
ATOM   2157 O OH  . TYR B 2 79  ? -17.401 -13.276 27.995 1.000 82.801  ? 79  TYR BBB OH  1 ? 10 
ATOM   2158 N N   . LEU B 2 80  ? -15.188 -9.947  20.157 1.000 64.404  ? 80  LEU BBB N   1 ? 10 
ATOM   2159 C CA  . LEU B 2 80  ? -15.149 -8.846  19.159 1.000 59.834  ? 80  LEU BBB CA  1 ? 10 
ATOM   2160 C C   . LEU B 2 80  ? -16.559 -8.276  19.063 1.000 60.655  ? 80  LEU BBB C   1 ? 10 
ATOM   2161 O O   . LEU B 2 80  ? -17.434 -8.992  18.543 1.000 64.948  ? 80  LEU BBB O   1 ? 10 
ATOM   2162 C CB  . LEU B 2 80  ? -14.651 -9.341  17.793 1.000 57.937  ? 80  LEU BBB CB  1 ? 10 
ATOM   2163 C CG  . LEU B 2 80  ? -14.333 -8.222  16.793 1.000 57.658  ? 80  LEU BBB CG  1 ? 10 
ATOM   2164 C CD1 . LEU B 2 80  ? -13.198 -7.346  17.311 1.000 56.511  ? 80  LEU BBB CD1 1 ? 10 
ATOM   2165 C CD2 . LEU B 2 80  ? -13.989 -8.763  15.408 1.000 57.273  ? 80  LEU BBB CD2 1 ? 10 
ATOM   2166 N N   . GLN B 2 81  ? -16.784 -7.078  19.616 1.000 63.246  ? 81  GLN BBB N   1 ? 10 
ATOM   2167 C CA  . GLN B 2 81  ? -18.090 -6.363  19.521 1.000 64.541  ? 81  GLN BBB CA  1 ? 10 
ATOM   2168 C C   . GLN B 2 81  ? -18.100 -5.624  18.183 1.000 62.868  ? 81  GLN BBB C   1 ? 10 
ATOM   2169 O O   . GLN B 2 81  ? -17.295 -4.673  18.032 1.000 62.055  ? 81  GLN BBB O   1 ? 10 
ATOM   2170 C CB  . GLN B 2 81  ? -18.312 -5.422  20.708 1.000 66.688  ? 81  GLN BBB CB  1 ? 10 
ATOM   2171 C CG  . GLN B 2 81  ? -19.690 -4.761  20.731 1.000 69.871  ? 81  GLN BBB CG  1 ? 10 
ATOM   2172 C CD  . GLN B 2 81  ? -20.837 -5.744  20.711 1.000 72.355  ? 81  GLN BBB CD  1 ? 10 
ATOM   2173 O OE1 . GLN B 2 81  ? -20.869 -6.710  21.462 1.000 74.667  ? 81  GLN BBB OE1 1 ? 10 
ATOM   2174 N NE2 . GLN B 2 81  ? -21.799 -5.503  19.840 1.000 70.753  ? 81  GLN BBB NE2 1 ? 10 
ATOM   2175 N N   . MET B 2 82  ? -18.943 -6.073  17.248 1.000 61.987  ? 82  MET BBB N   1 ? 10 
ATOM   2176 C CA  . MET B 2 82  ? -18.946 -5.607  15.836 1.000 65.047  ? 82  MET BBB CA  1 ? 10 
ATOM   2177 C C   . MET B 2 82  ? -20.195 -4.758  15.564 1.000 66.712  ? 82  MET BBB C   1 ? 10 
ATOM   2178 O O   . MET B 2 82  ? -21.246 -5.329  15.213 1.000 68.314  ? 82  MET BBB O   1 ? 10 
ATOM   2179 C CB  . MET B 2 82  ? -18.910 -6.798  14.880 1.000 66.908  ? 82  MET BBB CB  1 ? 10 
ATOM   2180 C CG  . MET B 2 82  ? -17.687 -7.661  15.055 1.000 67.917  ? 82  MET BBB CG  1 ? 10 
ATOM   2181 S SD  . MET B 2 82  ? -17.766 -9.108  13.986 1.000 76.459  ? 82  MET BBB SD  1 ? 10 
ATOM   2182 C CE  . MET B 2 82  ? -17.245 -8.384  12.434 1.000 70.748  ? 82  MET BBB CE  1 ? 10 
ATOM   2183 N N   . ASN B 2 83  ? -20.075 -3.440  15.722 1.000 63.779  ? 83  ASN BBB N   1 ? 10 
ATOM   2184 C CA  . ASN B 2 83  ? -21.161 -2.462  15.446 1.000 64.429  ? 83  ASN BBB CA  1 ? 10 
ATOM   2185 C C   . ASN B 2 83  ? -20.910 -1.801  14.086 1.000 63.327  ? 83  ASN BBB C   1 ? 10 
ATOM   2186 O O   . ASN B 2 83  ? -19.797 -1.931  13.537 1.000 63.370  ? 83  ASN BBB O   1 ? 10 
ATOM   2187 C CB  . ASN B 2 83  ? -21.266 -1.418  16.561 1.000 64.495  ? 83  ASN BBB CB  1 ? 10 
ATOM   2188 C CG  . ASN B 2 83  ? -21.495 -2.038  17.924 1.000 66.597  ? 83  ASN BBB CG  1 ? 10 
ATOM   2189 O OD1 . ASN B 2 83  ? -22.130 -3.078  18.030 1.000 72.766  ? 83  ASN BBB OD1 1 ? 10 
ATOM   2190 N ND2 . ASN B 2 83  ? -20.981 -1.419  18.973 1.000 65.240  ? 83  ASN BBB ND2 1 ? 10 
ATOM   2191 N N   . SER B 2 84  ? -21.913 -1.116  13.551 1.000 64.701  ? 84  SER BBB N   1 ? 10 
ATOM   2192 C CA  . SER B 2 84  ? -21.773 -0.274  12.341 1.000 64.928  ? 84  SER BBB CA  1 ? 10 
ATOM   2193 C C   . SER B 2 84  ? -21.274 -1.136  11.182 1.000 65.417  ? 84  SER BBB C   1 ? 10 
ATOM   2194 O O   . SER B 2 84  ? -20.398 -0.684  10.440 1.000 65.494  ? 84  SER BBB O   1 ? 10 
ATOM   2195 C CB  . SER B 2 84  ? -20.860 0.886   12.617 1.000 64.519  ? 84  SER BBB CB  1 ? 10 
ATOM   2196 O OG  . SER B 2 84  ? -21.340 1.647   13.717 1.000 64.778  ? 84  SER BBB OG  1 ? 10 
ATOM   2197 N N   . LEU B 2 85  ? -21.836 -2.336  11.034 1.000 68.297  ? 85  LEU BBB N   1 ? 10 
ATOM   2198 C CA  . LEU B 2 85  ? -21.359 -3.348  10.060 1.000 68.847  ? 85  LEU BBB CA  1 ? 10 
ATOM   2199 C C   . LEU B 2 85  ? -21.689 -2.888  8.634  1.000 71.352  ? 85  LEU BBB C   1 ? 10 
ATOM   2200 O O   . LEU B 2 85  ? -22.696 -2.184  8.451  1.000 71.366  ? 85  LEU BBB O   1 ? 10 
ATOM   2201 C CB  . LEU B 2 85  ? -22.007 -4.695  10.388 1.000 73.233  ? 85  LEU BBB CB  1 ? 10 
ATOM   2202 C CG  . LEU B 2 85  ? -21.362 -5.456  11.542 1.000 72.174  ? 85  LEU BBB CG  1 ? 10 
ATOM   2203 C CD1 . LEU B 2 85  ? -22.275 -6.571  12.029 1.000 73.620  ? 85  LEU BBB CD1 1 ? 10 
ATOM   2204 C CD2 . LEU B 2 85  ? -20.012 -6.013  11.122 1.000 69.574  ? 85  LEU BBB CD2 1 ? 10 
ATOM   2205 N N   . LYS B 2 86  ? -20.853 -3.275  7.669  1.000 70.009  ? 86  LYS BBB N   1 ? 10 
ATOM   2206 C CA  . LYS B 2 86  ? -20.933 -2.846  6.250  1.000 71.294  ? 86  LYS BBB CA  1 ? 10 
ATOM   2207 C C   . LYS B 2 86  ? -20.660 -4.052  5.359  1.000 73.212  ? 86  LYS BBB C   1 ? 10 
ATOM   2208 O O   . LYS B 2 86  ? -19.994 -4.988  5.788  1.000 75.056  ? 86  LYS BBB O   1 ? 10 
ATOM   2209 C CB  . LYS B 2 86  ? -19.884 -1.771  5.953  1.000 68.039  ? 86  LYS BBB CB  1 ? 10 
ATOM   2210 C CG  . LYS B 2 86  ? -19.870 -0.575  6.890  1.000 68.965  ? 86  LYS BBB CG  1 ? 10 
ATOM   2211 C CD  . LYS B 2 86  ? -18.705 0.342   6.602  1.000 71.936  ? 86  LYS BBB CD  1 ? 10 
ATOM   2212 C CE  . LYS B 2 86  ? -18.810 1.699   7.262  1.000 71.842  ? 86  LYS BBB CE  1 ? 10 
ATOM   2213 N NZ  . LYS B 2 86  ? -17.608 2.515   6.966  1.000 71.820  ? 86  LYS BBB NZ  1 ? 10 
ATOM   2214 N N   . PRO B 2 87  ? -21.090 -4.040  4.078  1.000 74.243  ? 87  PRO BBB N   1 ? 10 
ATOM   2215 C CA  . PRO B 2 87  ? -20.833 -5.163  3.179  1.000 76.263  ? 87  PRO BBB CA  1 ? 10 
ATOM   2216 C C   . PRO B 2 87  ? -19.356 -5.601  3.136  1.000 74.711  ? 87  PRO BBB C   1 ? 10 
ATOM   2217 O O   . PRO B 2 87  ? -19.153 -6.786  2.982  1.000 75.424  ? 87  PRO BBB O   1 ? 10 
ATOM   2218 C CB  . PRO B 2 87  ? -21.293 -4.659  1.799  1.000 76.599  ? 87  PRO BBB CB  1 ? 10 
ATOM   2219 C CG  . PRO B 2 87  ? -22.277 -3.543  2.109  1.000 75.562  ? 87  PRO BBB CG  1 ? 10 
ATOM   2220 C CD  . PRO B 2 87  ? -21.819 -2.943  3.421  1.000 74.623  ? 87  PRO BBB CD  1 ? 10 
ATOM   2221 N N   . GLU B 2 88  ? -18.393 -4.675  3.298  1.000 72.264  ? 88  GLU BBB N   1 ? 10 
ATOM   2222 C CA  . GLU B 2 88  ? -16.923 -4.942  3.214  1.000 72.245  ? 88  GLU BBB CA  1 ? 10 
ATOM   2223 C C   . GLU B 2 88  ? -16.490 -5.862  4.366  1.000 71.048  ? 88  GLU BBB C   1 ? 10 
ATOM   2224 O O   . GLU B 2 88  ? -15.367 -6.425  4.293  1.000 71.709  ? 88  GLU BBB O   1 ? 10 
ATOM   2225 C CB  . GLU B 2 88  ? -16.117 -3.634  3.219  1.000 73.726  ? 88  GLU BBB CB  1 ? 10 
ATOM   2226 C CG  . GLU B 2 88  ? -15.853 -3.042  4.605  1.000 73.451  ? 88  GLU BBB CG  1 ? 10 
ATOM   2227 C CD  . GLU B 2 88  ? -15.632 -1.531  4.668  1.000 78.228  ? 88  GLU BBB CD  1 ? 10 
ATOM   2228 O OE1 . GLU B 2 88  ? -14.710 -1.083  5.428  1.000 70.956  ? 88  GLU BBB OE1 1 ? 10 
ATOM   2229 O OE2 . GLU B 2 88  ? -16.393 -0.792  3.976  1.000 69.571  ? 88  GLU BBB OE2 1 ? 10 
ATOM   2230 N N   . ASP B 2 89  ? -17.333 -5.985  5.398  1.000 68.086  ? 89  ASP BBB N   1 ? 10 
ATOM   2231 C CA  . ASP B 2 89  ? -17.082 -6.815  6.605  1.000 67.177  ? 89  ASP BBB CA  1 ? 10 
ATOM   2232 C C   . ASP B 2 89  ? -17.452 -8.286  6.335  1.000 69.954  ? 89  ASP BBB C   1 ? 10 
ATOM   2233 O O   . ASP B 2 89  ? -16.991 -9.159  7.100  1.000 69.280  ? 89  ASP BBB O   1 ? 10 
ATOM   2234 C CB  . ASP B 2 89  ? -17.824 -6.251  7.819  1.000 65.101  ? 89  ASP BBB CB  1 ? 10 
ATOM   2235 C CG  . ASP B 2 89  ? -17.412 -4.839  8.198  1.000 64.689  ? 89  ASP BBB CG  1 ? 10 
ATOM   2236 O OD1 . ASP B 2 89  ? -16.247 -4.460  7.945  1.000 65.942  ? 89  ASP BBB OD1 1 ? 10 
ATOM   2237 O OD2 . ASP B 2 89  ? -18.267 -4.120  8.737  1.000 66.178  ? 89  ASP BBB OD2 1 ? 10 
ATOM   2238 N N   . THR B 2 90  ? -18.234 -8.568  5.290  1.000 69.427  ? 90  THR BBB N   1 ? 10 
ATOM   2239 C CA  . THR B 2 90  ? -18.656 -9.945  4.931  1.000 72.255  ? 90  THR BBB CA  1 ? 10 
ATOM   2240 C C   . THR B 2 90  ? -17.398 -10.824 4.843  1.000 69.698  ? 90  THR BBB C   1 ? 10 
ATOM   2241 O O   . THR B 2 90  ? -16.528 -10.493 4.024  1.000 73.345  ? 90  THR BBB O   1 ? 10 
ATOM   2242 C CB  . THR B 2 90  ? -19.529 -9.922  3.668  1.000 73.129  ? 90  THR BBB CB  1 ? 10 
ATOM   2243 O OG1 . THR B 2 90  ? -20.770 -9.311  4.028  1.000 74.976  ? 90  THR BBB OG1 1 ? 10 
ATOM   2244 C CG2 . THR B 2 90  ? -19.780 -11.293 3.079  1.000 74.339  ? 90  THR BBB CG2 1 ? 10 
ATOM   2245 N N   . ALA B 2 91  ? -17.290 -11.874 5.667  1.000 67.370  ? 91  ALA BBB N   1 ? 10 
ATOM   2246 C CA  . ALA B 2 91  ? -16.133 -12.810 5.677  1.000 71.284  ? 91  ALA BBB CA  1 ? 10 
ATOM   2247 C C   . ALA B 2 91  ? -16.310 -13.898 6.740  1.000 71.420  ? 91  ALA BBB C   1 ? 10 
ATOM   2248 O O   . ALA B 2 91  ? -17.199 -13.738 7.612  1.000 73.516  ? 91  ALA BBB O   1 ? 10 
ATOM   2249 C CB  . ALA B 2 91  ? -14.848 -12.045 5.932  1.000 69.146  ? 91  ALA BBB CB  1 ? 10 
ATOM   2250 N N   . MET B 2 92  ? -15.487 -14.953 6.666  1.000 72.984  ? 92  MET BBB N   1 ? 10 
ATOM   2251 C CA  . MET B 2 92  ? -15.221 -15.887 7.795  1.000 76.564  ? 92  MET BBB CA  1 ? 10 
ATOM   2252 C C   . MET B 2 92  ? -14.301 -15.155 8.786  1.000 71.773  ? 92  MET BBB C   1 ? 10 
ATOM   2253 O O   . MET B 2 92  ? -13.246 -14.631 8.350  1.000 67.268  ? 92  MET BBB O   1 ? 10 
ATOM   2254 C CB  . MET B 2 92  ? -14.541 -17.187 7.342  1.000 81.324  ? 92  MET BBB CB  1 ? 10 
ATOM   2255 C CG  . MET B 2 92  ? -15.453 -18.174 6.622  1.000 96.061  ? 92  MET BBB CG  1 ? 10 
ATOM   2256 S SD  . MET B 2 92  ? -15.872 -19.662 7.583  1.000 102.918 ? 92  MET BBB SD  1 ? 10 
ATOM   2257 C CE  . MET B 2 92  ? -17.390 -19.109 8.355  1.000 102.702 ? 92  MET BBB CE  1 ? 10 
ATOM   2258 N N   . TYR B 2 93  ? -14.688 -15.098 10.064 1.000 70.110  ? 93  TYR BBB N   1 ? 10 
ATOM   2259 C CA  . TYR B 2 93  ? -13.877 -14.508 11.160 1.000 66.523  ? 93  TYR BBB CA  1 ? 10 
ATOM   2260 C C   . TYR B 2 93  ? -13.302 -15.630 12.017 1.000 68.501  ? 93  TYR BBB C   1 ? 10 
ATOM   2261 O O   . TYR B 2 93  ? -14.083 -16.533 12.408 1.000 69.239  ? 93  TYR BBB O   1 ? 10 
ATOM   2262 C CB  . TYR B 2 93  ? -14.702 -13.535 12.002 1.000 66.870  ? 93  TYR BBB CB  1 ? 10 
ATOM   2263 C CG  . TYR B 2 93  ? -14.949 -12.220 11.315 1.000 65.916  ? 93  TYR BBB CG  1 ? 10 
ATOM   2264 C CD1 . TYR B 2 93  ? -15.740 -12.168 10.179 1.000 66.972  ? 93  TYR BBB CD1 1 ? 10 
ATOM   2265 C CD2 . TYR B 2 93  ? -14.385 -11.040 11.775 1.000 63.193  ? 93  TYR BBB CD2 1 ? 10 
ATOM   2266 C CE1 . TYR B 2 93  ? -15.971 -10.980 9.513  1.000 65.623  ? 93  TYR BBB CE1 1 ? 10 
ATOM   2267 C CE2 . TYR B 2 93  ? -14.612 -9.839  11.121 1.000 62.399  ? 93  TYR BBB CE2 1 ? 10 
ATOM   2268 C CZ  . TYR B 2 93  ? -15.416 -9.812  9.994  1.000 60.961  ? 93  TYR BBB CZ  1 ? 10 
ATOM   2269 O OH  . TYR B 2 93  ? -15.662 -8.656  9.331  1.000 62.764  ? 93  TYR BBB OH  1 ? 10 
ATOM   2270 N N   . TYR B 2 94  ? -11.988 -15.562 12.272 1.000 65.977  ? 94  TYR BBB N   1 ? 10 
ATOM   2271 C CA  . TYR B 2 94  ? -11.207 -16.541 13.077 1.000 67.971  ? 94  TYR BBB CA  1 ? 10 
ATOM   2272 C C   . TYR B 2 94  ? -10.529 -15.807 14.231 1.000 62.107  ? 94  TYR BBB C   1 ? 10 
ATOM   2273 O O   . TYR B 2 94  ? -9.919  -14.774 13.974 1.000 64.572  ? 94  TYR BBB O   1 ? 10 
ATOM   2274 C CB  . TYR B 2 94  ? -10.126 -17.228 12.235 1.000 68.720  ? 94  TYR BBB CB  1 ? 10 
ATOM   2275 C CG  . TYR B 2 94  ? -10.624 -17.924 10.993 1.000 69.590  ? 94  TYR BBB CG  1 ? 10 
ATOM   2276 C CD1 . TYR B 2 94  ? -10.794 -17.217 9.815  1.000 68.317  ? 94  TYR BBB CD1 1 ? 10 
ATOM   2277 C CD2 . TYR B 2 94  ? -10.890 -19.286 10.978 1.000 72.893  ? 94  TYR BBB CD2 1 ? 10 
ATOM   2278 C CE1 . TYR B 2 94  ? -11.243 -17.834 8.663  1.000 75.538  ? 94  TYR BBB CE1 1 ? 10 
ATOM   2279 C CE2 . TYR B 2 94  ? -11.344 -19.922 9.831  1.000 76.400  ? 94  TYR BBB CE2 1 ? 10 
ATOM   2280 C CZ  . TYR B 2 94  ? -11.522 -19.190 8.669  1.000 78.049  ? 94  TYR BBB CZ  1 ? 10 
ATOM   2281 O OH  . TYR B 2 94  ? -11.971 -19.763 7.517  1.000 84.709  ? 94  TYR BBB OH  1 ? 10 
ATOM   2282 N N   . CYS B 2 95  ? -10.636 -16.311 15.455 1.000 60.476  ? 95  CYS BBB N   1 ? 10 
ATOM   2283 C CA  . CYS B 2 95  ? -9.764  -15.860 16.564 1.000 62.768  ? 95  CYS BBB CA  1 ? 10 
ATOM   2284 C C   . CYS B 2 95  ? -8.506  -16.725 16.551 1.000 58.115  ? 95  CYS BBB C   1 ? 10 
ATOM   2285 O O   . CYS B 2 95  ? -8.588  -17.857 16.070 1.000 58.814  ? 95  CYS BBB O   1 ? 10 
ATOM   2286 C CB  . CYS B 2 95  ? -10.473 -15.889 17.912 1.000 67.807  ? 95  CYS BBB CB  1 ? 10 
ATOM   2287 S SG  . CYS B 2 95  ? -11.016 -17.527 18.443 1.000 77.639  ? 95  CYS BBB SG  1 ? 10 
ATOM   2288 N N   . ALA B 2 96  ? -7.379  -16.190 17.016 1.000 55.454  ? 96  ALA BBB N   1 ? 10 
ATOM   2289 C CA  . ALA B 2 96  ? -6.091  -16.917 17.089 1.000 54.930  ? 96  ALA BBB CA  1 ? 10 
ATOM   2290 C C   . ALA B 2 96  ? -5.304  -16.453 18.317 1.000 52.781  ? 96  ALA BBB C   1 ? 10 
ATOM   2291 O O   . ALA B 2 96  ? -5.464  -15.298 18.742 1.000 54.415  ? 96  ALA BBB O   1 ? 10 
ATOM   2292 C CB  . ALA B 2 96  ? -5.324  -16.718 15.811 1.000 55.138  ? 96  ALA BBB CB  1 ? 10 
ATOM   2293 N N   . ALA B 2 97  ? -4.497  -17.343 18.882 1.000 54.065  ? 97  ALA BBB N   1 ? 10 
ATOM   2294 C CA  . ALA B 2 97  ? -3.749  -17.112 20.138 1.000 51.488  ? 97  ALA BBB CA  1 ? 10 
ATOM   2295 C C   . ALA B 2 97  ? -2.245  -17.145 19.855 1.000 48.894  ? 97  ALA BBB C   1 ? 10 
ATOM   2296 O O   . ALA B 2 97  ? -1.798  -18.031 19.104 1.000 51.433  ? 97  ALA BBB O   1 ? 10 
ATOM   2297 C CB  . ALA B 2 97  ? -4.154  -18.167 21.132 1.000 54.362  ? 97  ALA BBB CB  1 ? 10 
ATOM   2298 N N   . LEU B 2 98  ? -1.477  -16.207 20.399 1.000 47.035  ? 98  LEU BBB N   1 ? 10 
ATOM   2299 C CA  . LEU B 2 98  ? -0.002  -16.358 20.423 1.000 52.146  ? 98  LEU BBB CA  1 ? 10 
ATOM   2300 C C   . LEU B 2 98  ? 0.504   -16.053 21.824 1.000 51.385  ? 98  LEU BBB C   1 ? 10 
ATOM   2301 O O   . LEU B 2 98  ? -0.251  -15.471 22.627 1.000 58.189  ? 98  LEU BBB O   1 ? 10 
ATOM   2302 C CB  . LEU B 2 98  ? 0.687   -15.508 19.352 1.000 53.619  ? 98  LEU BBB CB  1 ? 10 
ATOM   2303 C CG  . LEU B 2 98  ? 0.635   -13.993 19.511 1.000 52.685  ? 98  LEU BBB CG  1 ? 10 
ATOM   2304 C CD1 . LEU B 2 98  ? 1.545   -13.499 20.636 1.000 49.531  ? 98  LEU BBB CD1 1 ? 10 
ATOM   2305 C CD2 . LEU B 2 98  ? 1.022   -13.344 18.195 1.000 54.740  ? 98  LEU BBB CD2 1 ? 10 
ATOM   2306 N N   . GLN B 2 99  ? 1.715   -16.527 22.093 1.000 53.559  ? 99  GLN BBB N   1 ? 10 
ATOM   2307 C CA  . GLN B 2 99  ? 2.373   -16.483 23.418 1.000 51.518  ? 99  GLN BBB CA  1 ? 10 
ATOM   2308 C C   . GLN B 2 99  ? 3.674   -15.700 23.255 1.000 48.945  ? 99  GLN BBB C   1 ? 10 
ATOM   2309 O O   . GLN B 2 99  ? 4.711   -16.315 22.918 1.000 44.523  ? 99  GLN BBB O   1 ? 10 
ATOM   2310 C CB  . GLN B 2 99  ? 2.591   -17.893 23.965 1.000 53.127  ? 99  GLN BBB CB  1 ? 10 
ATOM   2311 C CG  . GLN B 2 99  ? 2.565   -17.912 25.481 1.000 55.567  ? 99  GLN BBB CG  1 ? 10 
ATOM   2312 C CD  . GLN B 2 99  ? 2.782   -19.275 26.089 1.000 59.255  ? 99  GLN BBB CD  1 ? 10 
ATOM   2313 O OE1 . GLN B 2 99  ? 2.520   -20.316 25.482 1.000 57.677  ? 99  GLN BBB OE1 1 ? 10 
ATOM   2314 N NE2 . GLN B 2 99  ? 3.244   -19.258 27.328 1.000 57.375  ? 99  GLN BBB NE2 1 ? 10 
ATOM   2315 N N   . GLY B 2 100 ? 3.563   -14.383 23.431 1.000 46.122  ? 100 GLY BBB N   1 ? 10 
ATOM   2316 C CA  . GLY B 2 100 ? 4.656   -13.402 23.321 1.000 46.278  ? 100 GLY BBB CA  1 ? 10 
ATOM   2317 C C   . GLY B 2 100 ? 4.902   -12.735 24.659 1.000 44.884  ? 100 GLY BBB C   1 ? 10 
ATOM   2318 O O   . GLY B 2 100 ? 4.448   -13.278 25.673 1.000 40.914  ? 100 GLY BBB O   1 ? 10 
ATOM   2319 N N   . SER B 2 101 ? 5.603   -11.600 24.667 1.000 46.440  ? 101 SER BBB N   1 ? 10 
ATOM   2320 C CA  . SER B 2 101 ? 5.792   -10.785 25.890 1.000 46.049  ? 101 SER BBB CA  1 ? 10 
ATOM   2321 C C   . SER B 2 101 ? 4.441   -10.205 26.303 1.000 47.888  ? 101 SER BBB C   1 ? 10 
ATOM   2322 O O   . SER B 2 101 ? 3.496   -10.213 25.494 1.000 45.533  ? 101 SER BBB O   1 ? 10 
ATOM   2323 C CB  . SER B 2 101 ? 6.825   -9.724  25.714 1.000 47.046  ? 101 SER BBB CB  1 ? 10 
ATOM   2324 O OG  . SER B 2 101 ? 6.537   -8.909  24.592 1.000 48.709  ? 101 SER BBB OG  1 ? 10 
ATOM   2325 N N   . TYR B 2 102 ? 4.376   -9.712  27.533 1.000 50.270  ? 102 TYR BBB N   1 ? 10 
ATOM   2326 C CA  . TYR B 2 102 ? 3.127   -9.328  28.225 1.000 50.811  ? 102 TYR BBB CA  1 ? 10 
ATOM   2327 C C   . TYR B 2 102 ? 2.337   -8.319  27.386 1.000 49.285  ? 102 TYR BBB C   1 ? 10 
ATOM   2328 O O   . TYR B 2 102 ? 1.091   -8.471  27.331 1.000 48.179  ? 102 TYR BBB O   1 ? 10 
ATOM   2329 C CB  . TYR B 2 102 ? 3.469   -8.822  29.623 1.000 53.315  ? 102 TYR BBB CB  1 ? 10 
ATOM   2330 C CG  . TYR B 2 102 ? 2.313   -8.727  30.580 1.000 52.661  ? 102 TYR BBB CG  1 ? 10 
ATOM   2331 C CD1 . TYR B 2 102 ? 1.422   -9.774  30.770 1.000 56.281  ? 102 TYR BBB CD1 1 ? 10 
ATOM   2332 C CD2 . TYR B 2 102 ? 2.150   -7.590  31.349 1.000 55.434  ? 102 TYR BBB CD2 1 ? 10 
ATOM   2333 C CE1 . TYR B 2 102 ? 0.382   -9.677  31.683 1.000 53.712  ? 102 TYR BBB CE1 1 ? 10 
ATOM   2334 C CE2 . TYR B 2 102 ? 1.128   -7.482  32.274 1.000 56.566  ? 102 TYR BBB CE2 1 ? 10 
ATOM   2335 C CZ  . TYR B 2 102 ? 0.241   -8.523  32.435 1.000 54.017  ? 102 TYR BBB CZ  1 ? 10 
ATOM   2336 O OH  . TYR B 2 102 ? -0.741  -8.365  33.358 1.000 57.631  ? 102 TYR BBB OH  1 ? 10 
ATOM   2337 N N   . TYR B 2 103 ? 3.008   -7.376  26.714 1.000 47.646  ? 103 TYR BBB N   1 ? 10 
ATOM   2338 C CA  . TYR B 2 103 ? 2.333   -6.249  26.010 1.000 47.177  ? 103 TYR BBB CA  1 ? 10 
ATOM   2339 C C   . TYR B 2 103 ? 2.287   -6.473  24.494 1.000 46.825  ? 103 TYR BBB C   1 ? 10 
ATOM   2340 O O   . TYR B 2 103 ? 1.773   -5.594  23.766 1.000 51.919  ? 103 TYR BBB O   1 ? 10 
ATOM   2341 C CB  . TYR B 2 103 ? 3.004   -4.918  26.350 1.000 50.312  ? 103 TYR BBB CB  1 ? 10 
ATOM   2342 C CG  . TYR B 2 103 ? 3.055   -4.583  27.819 1.000 53.193  ? 103 TYR BBB CG  1 ? 10 
ATOM   2343 C CD1 . TYR B 2 103 ? 1.933   -4.710  28.624 1.000 54.721  ? 103 TYR BBB CD1 1 ? 10 
ATOM   2344 C CD2 . TYR B 2 103 ? 4.226   -4.123  28.408 1.000 56.676  ? 103 TYR BBB CD2 1 ? 10 
ATOM   2345 C CE1 . TYR B 2 103 ? 1.977   -4.379  29.971 1.000 61.008  ? 103 TYR BBB CE1 1 ? 10 
ATOM   2346 C CE2 . TYR B 2 103 ? 4.291   -3.805  29.758 1.000 58.030  ? 103 TYR BBB CE2 1 ? 10 
ATOM   2347 C CZ  . TYR B 2 103 ? 3.159   -3.929  30.542 1.000 60.360  ? 103 TYR BBB CZ  1 ? 10 
ATOM   2348 O OH  . TYR B 2 103 ? 3.205   -3.622  31.868 1.000 62.954  ? 103 TYR BBB OH  1 ? 10 
ATOM   2349 N N   . TYR B 2 104 ? 2.763   -7.614  24.006 1.000 45.566  ? 104 TYR BBB N   1 ? 10 
ATOM   2350 C CA  . TYR B 2 104 ? 2.900   -7.834  22.545 1.000 45.464  ? 104 TYR BBB CA  1 ? 10 
ATOM   2351 C C   . TYR B 2 104 ? 1.518   -7.934  21.903 1.000 43.310  ? 104 TYR BBB C   1 ? 10 
ATOM   2352 O O   . TYR B 2 104 ? 0.665   -8.653  22.433 1.000 43.507  ? 104 TYR BBB O   1 ? 10 
ATOM   2353 C CB  . TYR B 2 104 ? 3.691   -9.098  22.221 1.000 46.344  ? 104 TYR BBB CB  1 ? 10 
ATOM   2354 C CG  . TYR B 2 104 ? 3.963   -9.228  20.747 1.000 44.820  ? 104 TYR BBB CG  1 ? 10 
ATOM   2355 C CD1 . TYR B 2 104 ? 5.003   -8.533  20.151 1.000 45.059  ? 104 TYR BBB CD1 1 ? 10 
ATOM   2356 C CD2 . TYR B 2 104 ? 3.153   -10.003 19.939 1.000 45.276  ? 104 TYR BBB CD2 1 ? 10 
ATOM   2357 C CE1 . TYR B 2 104 ? 5.246   -8.614  18.787 1.000 45.814  ? 104 TYR BBB CE1 1 ? 10 
ATOM   2358 C CE2 . TYR B 2 104 ? 3.377   -10.093 18.574 1.000 44.974  ? 104 TYR BBB CE2 1 ? 10 
ATOM   2359 C CZ  . TYR B 2 104 ? 4.425   -9.398  18.000 1.000 45.323  ? 104 TYR BBB CZ  1 ? 10 
ATOM   2360 O OH  . TYR B 2 104 ? 4.659   -9.505  16.668 1.000 47.239  ? 104 TYR BBB OH  1 ? 10 
ATOM   2361 N N   . THR B 2 105 ? 1.320   -7.212  20.799 1.000 45.061  ? 105 THR BBB N   1 ? 10 
ATOM   2362 C CA  . THR B 2 105 ? 0.175   -7.354  19.860 1.000 45.439  ? 105 THR BBB CA  1 ? 10 
ATOM   2363 C C   . THR B 2 105 ? 0.734   -7.451  18.443 1.000 48.242  ? 105 THR BBB C   1 ? 10 
ATOM   2364 O O   . THR B 2 105 ? 1.818   -6.897  18.203 1.000 44.139  ? 105 THR BBB O   1 ? 10 
ATOM   2365 C CB  . THR B 2 105 ? -0.796  -6.173  19.981 1.000 45.990  ? 105 THR BBB CB  1 ? 10 
ATOM   2366 O OG1 . THR B 2 105 ? -0.074  -4.971  19.703 1.000 44.274  ? 105 THR BBB OG1 1 ? 10 
ATOM   2367 C CG2 . THR B 2 105 ? -1.448  -6.101  21.346 1.000 47.692  ? 105 THR BBB CG2 1 ? 10 
ATOM   2368 N N   . GLY B 2 106 ? 0.002   -8.077  17.523 1.000 56.504  ? 106 GLY BBB N   1 ? 10 
ATOM   2369 C CA  . GLY B 2 106 ? 0.372   -8.061  16.093 1.000 51.853  ? 106 GLY BBB CA  1 ? 10 
ATOM   2370 C C   . GLY B 2 106 ? -0.654  -8.754  15.220 1.000 53.715  ? 106 GLY BBB C   1 ? 10 
ATOM   2371 O O   . GLY B 2 106 ? -1.558  -9.448  15.767 1.000 51.477  ? 106 GLY BBB O   1 ? 10 
ATOM   2372 N N   . PHE B 2 107 ? -0.506  -8.575  13.906 1.000 51.541  ? 107 PHE BBB N   1 ? 10 
ATOM   2373 C CA  . PHE B 2 107 ? -1.386  -9.135  12.849 1.000 52.587  ? 107 PHE BBB CA  1 ? 10 
ATOM   2374 C C   . PHE B 2 107 ? -0.596  -10.075 11.949 1.000 53.511  ? 107 PHE BBB C   1 ? 10 
ATOM   2375 O O   . PHE B 2 107 ? -0.982  -10.229 10.773 1.000 58.686  ? 107 PHE BBB O   1 ? 10 
ATOM   2376 C CB  . PHE B 2 107 ? -2.003  -8.016  12.013 1.000 53.281  ? 107 PHE BBB CB  1 ? 10 
ATOM   2377 C CG  . PHE B 2 107 ? -3.032  -7.206  12.750 1.000 55.014  ? 107 PHE BBB CG  1 ? 10 
ATOM   2378 C CD1 . PHE B 2 107 ? -3.818  -7.785  13.742 1.000 52.533  ? 107 PHE BBB CD1 1 ? 10 
ATOM   2379 C CD2 . PHE B 2 107 ? -3.233  -5.871  12.429 1.000 50.396  ? 107 PHE BBB CD2 1 ? 10 
ATOM   2380 C CE1 . PHE B 2 107 ? -4.776  -7.038  14.410 1.000 54.537  ? 107 PHE BBB CE1 1 ? 10 
ATOM   2381 C CE2 . PHE B 2 107 ? -4.197  -5.130  13.092 1.000 55.140  ? 107 PHE BBB CE2 1 ? 10 
ATOM   2382 C CZ  . PHE B 2 107 ? -4.970  -5.714  14.078 1.000 56.122  ? 107 PHE BBB CZ  1 ? 10 
ATOM   2383 N N   . VAL B 2 108 ? 0.467   -10.680 12.482 1.000 50.509  ? 108 VAL BBB N   1 ? 10 
ATOM   2384 C CA  . VAL B 2 108 ? 1.316   -11.625 11.706 1.000 52.629  ? 108 VAL BBB CA  1 ? 10 
ATOM   2385 C C   . VAL B 2 108 ? 0.787   -13.037 11.958 1.000 53.284  ? 108 VAL BBB C   1 ? 10 
ATOM   2386 O O   . VAL B 2 108 ? 1.102   -13.595 13.022 1.000 51.017  ? 108 VAL BBB O   1 ? 10 
ATOM   2387 C CB  . VAL B 2 108 ? 2.801   -11.482 12.070 1.000 53.342  ? 108 VAL BBB CB  1 ? 10 
ATOM   2388 C CG1 . VAL B 2 108 ? 3.667   -12.391 11.203 1.000 51.670  ? 108 VAL BBB CG1 1 ? 10 
ATOM   2389 C CG2 . VAL B 2 108 ? 3.256   -10.032 11.972 1.000 50.770  ? 108 VAL BBB CG2 1 ? 10 
ATOM   2390 N N   . ALA B 2 109 ? -0.018  -13.563 11.030 1.000 55.492  ? 109 ALA BBB N   1 ? 10 
ATOM   2391 C CA  . ALA B 2 109 ? -0.740  -14.852 11.169 1.000 59.451  ? 109 ALA BBB CA  1 ? 10 
ATOM   2392 C C   . ALA B 2 109 ? 0.262   -15.942 11.514 1.000 55.817  ? 109 ALA BBB C   1 ? 10 
ATOM   2393 O O   . ALA B 2 109 ? -0.059  -16.794 12.353 1.000 60.932  ? 109 ALA BBB O   1 ? 10 
ATOM   2394 C CB  . ALA B 2 109 ? -1.493  -15.218 9.909  1.000 63.763  ? 109 ALA BBB CB  1 ? 10 
ATOM   2395 N N   . ASN B 2 110 ? 1.447   -15.871 10.926 1.000 63.411  ? 110 ASN BBB N   1 ? 11 
ATOM   2396 C CA  . ASN B 2 110 ? 2.488   -16.902 11.124 1.000 67.804  ? 110 ASN BBB CA  1 ? 11 
ATOM   2397 C C   . ASN B 2 110 ? 2.973   -16.946 12.579 1.000 66.153  ? 110 ASN BBB C   1 ? 11 
ATOM   2398 O O   . ASN B 2 110 ? 3.510   -17.996 12.982 1.000 72.243  ? 110 ASN BBB O   1 ? 11 
ATOM   2399 C CB  . ASN B 2 110 ? 3.666   -16.683 10.187 1.000 74.430  ? 110 ASN BBB CB  1 ? 11 
ATOM   2400 C CG  . ASN B 2 110 ? 4.618   -17.848 10.282 1.000 81.238  ? 110 ASN BBB CG  1 ? 11 
ATOM   2401 O OD1 . ASN B 2 110 ? 5.786   -17.673 10.634 1.000 88.477  ? 110 ASN BBB OD1 1 ? 11 
ATOM   2402 N ND2 . ASN B 2 110 ? 4.088   -19.041 10.054 1.000 85.023  ? 110 ASN BBB ND2 1 ? 11 
ATOM   2403 N N   . GLU B 2 111 ? 2.833   -15.859 13.338 1.000 60.085  ? 111 GLU BBB N   1 ? 11 
ATOM   2404 C CA  . GLU B 2 111 ? 3.268   -15.799 14.758 1.000 57.051  ? 111 GLU BBB CA  1 ? 11 
ATOM   2405 C C   . GLU B 2 111 ? 2.201   -16.450 15.646 1.000 57.440  ? 111 GLU BBB C   1 ? 11 
ATOM   2406 O O   . GLU B 2 111 ? 2.506   -16.690 16.823 1.000 56.552  ? 111 GLU BBB O   1 ? 11 
ATOM   2407 C CB  . GLU B 2 111 ? 3.524   -14.353 15.188 1.000 53.135  ? 111 GLU BBB CB  1 ? 11 
ATOM   2408 C CG  . GLU B 2 111 ? 4.756   -13.736 14.547 1.000 52.802  ? 111 GLU BBB CG  1 ? 11 
ATOM   2409 C CD  . GLU B 2 111 ? 4.958   -12.277 14.881 1.000 49.036  ? 111 GLU BBB CD  1 ? 11 
ATOM   2410 O OE1 . GLU B 2 111 ? 4.042   -11.688 15.458 1.000 46.948  ? 111 GLU BBB OE1 1 ? 11 
ATOM   2411 O OE2 . GLU B 2 111 ? 6.015   -11.737 14.541 1.000 50.374  ? 111 GLU BBB OE2 1 ? 11 
ATOM   2412 N N   . TYR B 2 112 ? 0.995   -16.697 15.125 1.000 56.960  ? 112 TYR BBB N   1 ? 11 
ATOM   2413 C CA  . TYR B 2 112 ? -0.116  -17.322 15.894 1.000 60.975  ? 112 TYR BBB CA  1 ? 11 
ATOM   2414 C C   . TYR B 2 112 ? -0.051  -18.849 15.762 1.000 66.296  ? 112 TYR BBB C   1 ? 11 
ATOM   2415 O O   . TYR B 2 112 ? 0.052   -19.361 14.631 1.000 67.097  ? 112 TYR BBB O   1 ? 11 
ATOM   2416 C CB  . TYR B 2 112 ? -1.477  -16.784 15.457 1.000 58.137  ? 112 TYR BBB CB  1 ? 11 
ATOM   2417 C CG  . TYR B 2 112 ? -1.760  -15.374 15.903 1.000 57.902  ? 112 TYR BBB CG  1 ? 11 
ATOM   2418 C CD1 . TYR B 2 112 ? -1.360  -14.290 15.141 1.000 54.367  ? 112 TYR BBB CD1 1 ? 11 
ATOM   2419 C CD2 . TYR B 2 112 ? -2.456  -15.122 17.072 1.000 57.450  ? 112 TYR BBB CD2 1 ? 11 
ATOM   2420 C CE1 . TYR B 2 112 ? -1.619  -12.992 15.543 1.000 54.890  ? 112 TYR BBB CE1 1 ? 11 
ATOM   2421 C CE2 . TYR B 2 112 ? -2.727  -13.829 17.486 1.000 55.793  ? 112 TYR BBB CE2 1 ? 11 
ATOM   2422 C CZ  . TYR B 2 112 ? -2.309  -12.759 16.717 1.000 54.597  ? 112 TYR BBB CZ  1 ? 11 
ATOM   2423 O OH  . TYR B 2 112 ? -2.549  -11.477 17.112 1.000 53.818  ? 112 TYR BBB OH  1 ? 11 
ATOM   2424 N N   . ASP B 2 113 ? -0.150  -19.543 16.900 1.000 69.628  ? 113 ASP BBB N   1 ? 11 
ATOM   2425 C CA  . ASP B 2 113 ? -0.002  -21.015 17.020 1.000 77.946  ? 113 ASP BBB CA  1 ? 11 
ATOM   2426 C C   . ASP B 2 113 ? -1.377  -21.689 16.889 1.000 79.890  ? 113 ASP BBB C   1 ? 11 
ATOM   2427 O O   . ASP B 2 113 ? -1.435  -22.737 16.234 1.000 86.033  ? 113 ASP BBB O   1 ? 11 
ATOM   2428 C CB  . ASP B 2 113 ? 0.690   -21.375 18.339 1.000 86.552  ? 113 ASP BBB CB  1 ? 11 
ATOM   2429 C CG  . ASP B 2 113 ? 2.074   -20.762 18.510 1.000 92.950  ? 113 ASP BBB CG  1 ? 11 
ATOM   2430 O OD1 . ASP B 2 113 ? 2.943   -20.989 17.625 1.000 97.662  ? 113 ASP BBB OD1 1 ? 11 
ATOM   2431 O OD2 . ASP B 2 113 ? 2.283   -20.058 19.535 1.000 101.232 ? 113 ASP BBB OD2 1 ? 11 
ATOM   2432 N N   . TYR B 2 114 ? -2.441  -21.137 17.487 1.000 75.364  ? 114 TYR BBB N   1 ? 11 
ATOM   2433 C CA  . TYR B 2 114 ? -3.768  -21.801 17.582 1.000 77.101  ? 114 TYR BBB CA  1 ? 11 
ATOM   2434 C C   . TYR B 2 114 ? -4.825  -20.943 16.893 1.000 72.739  ? 114 TYR BBB C   1 ? 11 
ATOM   2435 O O   . TYR B 2 114 ? -4.804  -19.700 17.053 1.000 69.409  ? 114 TYR BBB O   1 ? 11 
ATOM   2436 C CB  . TYR B 2 114 ? -4.084  -22.127 19.042 1.000 80.839  ? 114 TYR BBB CB  1 ? 11 
ATOM   2437 C CG  . TYR B 2 114 ? -2.917  -22.813 19.687 1.000 87.316  ? 114 TYR BBB CG  1 ? 11 
ATOM   2438 C CD1 . TYR B 2 114 ? -2.675  -24.161 19.469 1.000 94.386  ? 114 TYR BBB CD1 1 ? 11 
ATOM   2439 C CD2 . TYR B 2 114 ? -1.979  -22.088 20.400 1.000 88.440  ? 114 TYR BBB CD2 1 ? 11 
ATOM   2440 C CE1 . TYR B 2 114 ? -1.557  -24.784 20.001 1.000 98.658  ? 114 TYR BBB CE1 1 ? 11 
ATOM   2441 C CE2 . TYR B 2 114 ? -0.854  -22.695 20.937 1.000 93.599  ? 114 TYR BBB CE2 1 ? 11 
ATOM   2442 C CZ  . TYR B 2 114 ? -0.637  -24.045 20.728 1.000 97.412  ? 114 TYR BBB CZ  1 ? 11 
ATOM   2443 O OH  . TYR B 2 114 ? 0.462   -24.642 21.274 1.000 103.552 ? 114 TYR BBB OH  1 ? 11 
ATOM   2444 N N   . TRP B 2 115 ? -5.708  -21.609 16.146 1.000 73.618  ? 115 TRP BBB N   1 ? 11 
ATOM   2445 C CA  . TRP B 2 115 ? -6.780  -20.990 15.319 1.000 72.193  ? 115 TRP BBB CA  1 ? 11 
ATOM   2446 C C   . TRP B 2 115 ? -8.133  -21.608 15.679 1.000 73.788  ? 115 TRP BBB C   1 ? 11 
ATOM   2447 O O   . TRP B 2 115 ? -8.206  -22.834 15.797 1.000 76.573  ? 115 TRP BBB O   1 ? 11 
ATOM   2448 C CB  . TRP B 2 115 ? -6.455  -21.144 13.827 1.000 72.415  ? 115 TRP BBB CB  1 ? 11 
ATOM   2449 C CG  . TRP B 2 115 ? -5.275  -20.321 13.417 1.000 70.582  ? 115 TRP BBB CG  1 ? 11 
ATOM   2450 C CD1 . TRP B 2 115 ? -3.953  -20.637 13.559 1.000 71.958  ? 115 TRP BBB CD1 1 ? 11 
ATOM   2451 C CD2 . TRP B 2 115 ? -5.309  -18.991 12.870 1.000 68.269  ? 115 TRP BBB CD2 1 ? 11 
ATOM   2452 N NE1 . TRP B 2 115 ? -3.164  -19.604 13.121 1.000 68.546  ? 115 TRP BBB NE1 1 ? 11 
ATOM   2453 C CE2 . TRP B 2 115 ? -3.970  -18.584 12.687 1.000 65.816  ? 115 TRP BBB CE2 1 ? 11 
ATOM   2454 C CE3 . TRP B 2 115 ? -6.335  -18.113 12.504 1.000 66.938  ? 115 TRP BBB CE3 1 ? 11 
ATOM   2455 C CZ2 . TRP B 2 115 ? -3.646  -17.345 12.140 1.000 65.246  ? 115 TRP BBB CZ2 1 ? 11 
ATOM   2456 C CZ3 . TRP B 2 115 ? -6.011  -16.881 11.977 1.000 62.998  ? 115 TRP BBB CZ3 1 ? 11 
ATOM   2457 C CH2 . TRP B 2 115 ? -4.682  -16.503 11.800 1.000 62.279  ? 115 TRP BBB CH2 1 ? 11 
ATOM   2458 N N   . GLY B 2 116 ? -9.161  -20.773 15.858 1.000 74.370  ? 116 GLY BBB N   1 ? 11 
ATOM   2459 C CA  . GLY B 2 116 ? -10.563 -21.217 15.963 1.000 78.099  ? 116 GLY BBB CA  1 ? 11 
ATOM   2460 C C   . GLY B 2 116 ? -11.043 -21.786 14.641 1.000 81.599  ? 116 GLY BBB C   1 ? 11 
ATOM   2461 O O   . GLY B 2 116 ? -10.287 -21.681 13.646 1.000 82.910  ? 116 GLY BBB O   1 ? 11 
ATOM   2462 N N   . GLN B 2 117 ? -12.250 -22.360 14.627 1.000 86.045  ? 117 GLN BBB N   1 ? 11 
ATOM   2463 C CA  . GLN B 2 117 ? -12.832 -23.083 13.458 1.000 91.359  ? 117 GLN BBB CA  1 ? 11 
ATOM   2464 C C   . GLN B 2 117 ? -13.372 -22.065 12.440 1.000 87.527  ? 117 GLN BBB C   1 ? 11 
ATOM   2465 O O   . GLN B 2 117 ? -13.486 -22.411 11.241 1.000 90.673  ? 117 GLN BBB O   1 ? 11 
ATOM   2466 C CB  . GLN B 2 117 ? -13.905 -24.078 13.918 1.000 97.613  ? 117 GLN BBB CB  1 ? 11 
ATOM   2467 C CG  . GLN B 2 117 ? -15.232 -23.447 14.343 1.000 98.308  ? 117 GLN BBB CG  1 ? 11 
ATOM   2468 C CD  . GLN B 2 117 ? -15.221 -22.879 15.744 1.000 99.853  ? 117 GLN BBB CD  1 ? 11 
ATOM   2469 O OE1 . GLN B 2 117 ? -14.188 -22.440 16.266 1.000 99.197  ? 117 GLN BBB OE1 1 ? 11 
ATOM   2470 N NE2 . GLN B 2 117 ? -16.391 -22.869 16.364 1.000 97.325  ? 117 GLN BBB NE2 1 ? 11 
ATOM   2471 N N   . GLY B 2 118 ? -13.714 -20.862 12.901 1.000 80.040  ? 118 GLY BBB N   1 ? 11 
ATOM   2472 C CA  . GLY B 2 118 ? -14.189 -19.769 12.038 1.000 79.190  ? 118 GLY BBB CA  1 ? 11 
ATOM   2473 C C   . GLY B 2 118 ? -15.688 -19.597 12.141 1.000 80.982  ? 118 GLY BBB C   1 ? 11 
ATOM   2474 O O   . GLY B 2 118 ? -16.395 -20.606 12.080 1.000 92.086  ? 118 GLY BBB O   1 ? 11 
ATOM   2475 N N   . ALA B 2 119 ? -16.143 -18.356 12.310 1.000 79.543  ? 119 ALA BBB N   1 ? 11 
ATOM   2476 C CA  . ALA B 2 119 ? -17.565 -17.974 12.422 1.000 80.980  ? 119 ALA BBB CA  1 ? 11 
ATOM   2477 C C   . ALA B 2 119 ? -17.948 -17.196 11.169 1.000 79.937  ? 119 ALA BBB C   1 ? 11 
ATOM   2478 O O   . ALA B 2 119 ? -17.175 -16.360 10.698 1.000 71.003  ? 119 ALA BBB O   1 ? 11 
ATOM   2479 C CB  . ALA B 2 119 ? -17.784 -17.164 13.677 1.000 81.668  ? 119 ALA BBB CB  1 ? 11 
ATOM   2480 N N   . PRO B 2 120 ? -19.144 -17.459 10.593 1.000 80.722  ? 120 PRO BBB N   1 ? 11 
ATOM   2481 C CA  . PRO B 2 120 ? -19.590 -16.762 9.392  1.000 78.835  ? 120 PRO BBB CA  1 ? 11 
ATOM   2482 C C   . PRO B 2 120 ? -20.159 -15.395 9.792  1.000 77.950  ? 120 PRO BBB C   1 ? 11 
ATOM   2483 O O   . PRO B 2 120 ? -20.822 -15.315 10.825 1.000 76.876  ? 120 PRO BBB O   1 ? 11 
ATOM   2484 C CB  . PRO B 2 120 ? -20.666 -17.703 8.836  1.000 83.489  ? 120 PRO BBB CB  1 ? 11 
ATOM   2485 C CG  . PRO B 2 120 ? -21.287 -18.313 10.080 1.000 86.076  ? 120 PRO BBB CG  1 ? 11 
ATOM   2486 C CD  . PRO B 2 120 ? -20.152 -18.411 11.084 1.000 85.646  ? 120 PRO BBB CD  1 ? 11 
ATOM   2487 N N   . VAL B 2 121 ? -19.861 -14.363 8.996  1.000 74.613  ? 121 VAL BBB N   1 ? 11 
ATOM   2488 C CA  . VAL B 2 121 ? -20.467 -13.006 9.125  1.000 74.948  ? 121 VAL BBB CA  1 ? 11 
ATOM   2489 C C   . VAL B 2 121 ? -20.921 -12.543 7.741  1.000 73.818  ? 121 VAL BBB C   1 ? 11 
ATOM   2490 O O   . VAL B 2 121 ? -20.050 -12.397 6.873  1.000 70.669  ? 121 VAL BBB O   1 ? 11 
ATOM   2491 C CB  . VAL B 2 121 ? -19.468 -12.019 9.751  1.000 75.602  ? 121 VAL BBB CB  1 ? 11 
ATOM   2492 C CG1 . VAL B 2 121 ? -19.921 -10.571 9.593  1.000 76.048  ? 121 VAL BBB CG1 1 ? 11 
ATOM   2493 C CG2 . VAL B 2 121 ? -19.213 -12.360 11.214 1.000 76.204  ? 121 VAL BBB CG2 1 ? 11 
ATOM   2494 N N   . THR B 2 122 ? -22.225 -12.330 7.546  1.000 74.361  ? 122 THR BBB N   1 ? 11 
ATOM   2495 C CA  . THR B 2 122 ? -22.779 -11.774 6.284  1.000 78.814  ? 122 THR BBB CA  1 ? 11 
ATOM   2496 C C   . THR B 2 122 ? -23.529 -10.468 6.584  1.000 81.618  ? 122 THR BBB C   1 ? 11 
ATOM   2497 O O   . THR B 2 122 ? -24.444 -10.485 7.433  1.000 87.077  ? 122 THR BBB O   1 ? 11 
ATOM   2498 C CB  . THR B 2 122 ? -23.658 -12.807 5.562  1.000 82.798  ? 122 THR BBB CB  1 ? 11 
ATOM   2499 O OG1 . THR B 2 122 ? -22.936 -14.036 5.475  1.000 79.824  ? 122 THR BBB OG1 1 ? 11 
ATOM   2500 C CG2 . THR B 2 122 ? -24.066 -12.375 4.169  1.000 84.954  ? 122 THR BBB CG2 1 ? 11 
ATOM   2501 N N   . VAL B 2 123 ? -23.169 -9.384  5.889  1.000 82.716  ? 123 VAL BBB N   1 ? 11 
ATOM   2502 C CA  . VAL B 2 123 ? -23.866 -8.065  5.964  1.000 87.659  ? 123 VAL BBB CA  1 ? 11 
ATOM   2503 C C   . VAL B 2 123 ? -24.551 -7.831  4.616  1.000 90.742  ? 123 VAL BBB C   1 ? 11 
ATOM   2504 O O   . VAL B 2 123 ? -23.820 -7.716  3.604  1.000 85.992  ? 123 VAL BBB O   1 ? 11 
ATOM   2505 C CB  . VAL B 2 123 ? -22.897 -6.925  6.336  1.000 85.649  ? 123 VAL BBB CB  1 ? 11 
ATOM   2506 C CG1 . VAL B 2 123 ? -23.603 -5.583  6.432  1.000 90.471  ? 123 VAL BBB CG1 1 ? 11 
ATOM   2507 C CG2 . VAL B 2 123 ? -22.163 -7.223  7.633  1.000 84.178  ? 123 VAL BBB CG2 1 ? 11 
ATOM   2508 N N   . SER B 2 124 ? -25.890 -7.761  4.634  1.000 97.773  ? 124 SER BBB N   1 ? 11 
ATOM   2509 C CA  . SER B 2 124 ? -26.809 -7.993  3.484  1.000 104.861 ? 124 SER BBB CA  1 ? 11 
ATOM   2510 C C   . SER B 2 124 ? -27.235 -6.669  2.843  1.000 112.646 ? 124 SER BBB C   1 ? 11 
ATOM   2511 O O   . SER B 2 124 ? -28.127 -6.007  3.407  1.000 112.388 ? 124 SER BBB O   1 ? 11 
ATOM   2512 C CB  . SER B 2 124 ? -28.028 -8.767  3.927  1.000 109.480 ? 124 SER BBB CB  1 ? 11 
ATOM   2513 O OG  . SER B 2 124 ? -28.870 -7.969  4.753  1.000 109.710 ? 124 SER BBB OG  1 ? 11 
ATOM   2514 N N   . SER B 2 125 ? -26.662 -6.336  1.682  1.000 122.618 ? 125 SER BBB N   1 ? 11 
ATOM   2515 C CA  . SER B 2 125 ? -26.958 -5.106  0.896  1.000 127.612 ? 125 SER BBB CA  1 ? 11 
ATOM   2516 C C   . SER B 2 125 ? -28.297 -5.253  0.162  1.000 123.138 ? 125 SER BBB C   1 ? 11 
ATOM   2517 O O   . SER B 2 125 ? -29.346 -5.030  0.758  1.000 119.005 ? 125 SER BBB O   1 ? 11 
ATOM   2518 C CB  . SER B 2 125 ? -25.835 -4.803  -0.061 1.000 130.385 ? 125 SER BBB CB  1 ? 11 
ATOM   2519 O OG  . SER B 2 125 ? -25.630 -5.891  -0.947 1.000 134.646 ? 125 SER BBB OG  1 ? 11 
HETATM 2520 C C1  . NAG C 3 .   ? 18.063  -3.658  24.069 1.000 70.018  ? 601 NAG AAA C1  1 ? ?  
HETATM 2521 C C2  . NAG C 3 .   ? 17.643  -3.644  25.541 1.000 76.035  ? 601 NAG AAA C2  1 ? ?  
HETATM 2522 C C3  . NAG C 3 .   ? 16.393  -2.794  25.775 1.000 86.324  ? 601 NAG AAA C3  1 ? ?  
HETATM 2523 C C4  . NAG C 3 .   ? 16.578  -1.425  25.142 1.000 81.600  ? 601 NAG AAA C4  1 ? ?  
HETATM 2524 C C5  . NAG C 3 .   ? 16.820  -1.637  23.651 1.000 84.383  ? 601 NAG AAA C5  1 ? ?  
HETATM 2525 C C6  . NAG C 3 .   ? 16.853  -0.347  22.829 1.000 85.924  ? 601 NAG AAA C6  1 ? ?  
HETATM 2526 C C7  . NAG C 3 .   ? 17.970  -5.531  27.040 1.000 79.886  ? 601 NAG AAA C7  1 ? ?  
HETATM 2527 C C8  . NAG C 3 .   ? 17.464  -6.874  27.455 1.000 81.610  ? 601 NAG AAA C8  1 ? ?  
HETATM 2528 N N2  . NAG C 3 .   ? 17.333  -4.985  26.006 1.000 72.520  ? 601 NAG AAA N2  1 ? ?  
HETATM 2529 O O3  . NAG C 3 .   ? 16.090  -2.678  27.175 1.000 79.514  ? 601 NAG AAA O3  1 ? ?  
HETATM 2530 O O4  . NAG C 3 .   ? 15.410  -0.643  25.378 1.000 87.435  ? 601 NAG AAA O4  1 ? ?  
HETATM 2531 O O5  . NAG C 3 .   ? 18.054  -2.337  23.516 1.000 76.995  ? 601 NAG AAA O5  1 ? ?  
HETATM 2532 O O6  . NAG C 3 .   ? 17.877  0.558   23.265 1.000 80.147  ? 601 NAG AAA O6  1 ? ?  
HETATM 2533 O O7  . NAG C 3 .   ? 18.890  -4.981  27.631 1.000 84.285  ? 601 NAG AAA O7  1 ? ?  
HETATM 2534 P P   . PO4 D 4 .   ? 11.830  -26.667 7.807  1.000 98.070  ? 602 PO4 AAA P   1 ? ?  
HETATM 2535 O O1  . PO4 D 4 .   ? 12.586  -26.782 6.479  1.000 88.992  ? 602 PO4 AAA O1  1 ? ?  
HETATM 2536 O O2  . PO4 D 4 .   ? 12.773  -26.139 8.885  1.000 77.594  ? 602 PO4 AAA O2  1 ? ?  
HETATM 2537 O O3  . PO4 D 4 .   ? 11.310  -28.061 8.231  1.000 69.955  ? 602 PO4 AAA O3  1 ? ?  
HETATM 2538 O O4  . PO4 D 4 .   ? 10.655  -25.694 7.641  1.000 93.161  ? 602 PO4 AAA O4  1 ? ?  
HETATM 2539 C C1  . PEG E 5 .   ? -3.015  -7.249  8.076  1.000 95.598  ? 201 PEG BBB C1  1 ? ?  
HETATM 2540 O O1  . PEG E 5 .   ? -2.873  -8.641  8.351  1.000 84.122  ? 201 PEG BBB O1  1 ? ?  
HETATM 2541 C C2  . PEG E 5 .   ? -4.099  -6.606  8.902  1.000 104.468 ? 201 PEG BBB C2  1 ? ?  
HETATM 2542 O O2  . PEG E 5 .   ? -3.887  -5.201  9.027  1.000 97.580  ? 201 PEG BBB O2  1 ? ?  
HETATM 2543 C C3  . PEG E 5 .   ? -5.024  -4.420  8.672  1.000 98.270  ? 201 PEG BBB C3  1 ? ?  
HETATM 2544 C C4  . PEG E 5 .   ? -5.062  -4.226  7.180  1.000 109.441 ? 201 PEG BBB C4  1 ? ?  
HETATM 2545 O O4  . PEG E 5 .   ? -6.166  -3.450  6.757  1.000 102.180 ? 201 PEG BBB O4  1 ? ?  
HETATM 2546 C C1  . PEG F 5 .   ? -2.677  -20.984 9.436  1.000 99.921  ? 202 PEG BBB C1  1 ? ?  
HETATM 2547 O O1  . PEG F 5 .   ? -2.319  -20.377 8.208  1.000 89.538  ? 202 PEG BBB O1  1 ? ?  
HETATM 2548 C C2  . PEG F 5 .   ? -4.073  -21.531 9.423  1.000 100.203 ? 202 PEG BBB C2  1 ? ?  
HETATM 2549 O O2  . PEG F 5 .   ? -5.015  -20.469 9.303  1.000 103.388 ? 202 PEG BBB O2  1 ? ?  
HETATM 2550 C C3  . PEG F 5 .   ? -6.364  -20.927 9.248  1.000 107.319 ? 202 PEG BBB C3  1 ? ?  
HETATM 2551 C C4  . PEG F 5 .   ? -7.296  -19.771 9.029  1.000 101.230 ? 202 PEG BBB C4  1 ? ?  
HETATM 2552 O O4  . PEG F 5 .   ? -7.084  -19.129 7.786  1.000 91.077  ? 202 PEG BBB O4  1 ? ?  
HETATM 2553 C C1  . PEG G 5 .   ? 2.082   -11.204 7.190  1.000 98.209  ? 203 PEG BBB C1  1 ? ?  
HETATM 2554 O O1  . PEG G 5 .   ? 2.158   -9.957  7.878  1.000 81.802  ? 203 PEG BBB O1  1 ? ?  
HETATM 2555 C C2  . PEG G 5 .   ? 1.128   -12.178 7.830  1.000 96.066  ? 203 PEG BBB C2  1 ? ?  
HETATM 2556 O O2  . PEG G 5 .   ? -0.162  -11.583 7.958  1.000 114.809 ? 203 PEG BBB O2  1 ? ?  
HETATM 2557 C C3  . PEG G 5 .   ? -1.235  -12.520 7.915  1.000 117.374 ? 203 PEG BBB C3  1 ? ?  
HETATM 2558 C C4  . PEG G 5 .   ? -1.857  -12.547 6.553  1.000 121.498 ? 203 PEG BBB C4  1 ? ?  
HETATM 2559 O O4  . PEG G 5 .   ? -1.856  -13.847 5.997  1.000 113.336 ? 203 PEG BBB O4  1 ? ?  
HETATM 2560 O O   . HOH H 6 .   ? 17.278  -33.712 3.997  1.000 64.114  ? 701 HOH AAA O   1 ? ?  
HETATM 2561 O O   . HOH H 6 .   ? 26.405  -37.110 16.714 1.000 44.625  ? 702 HOH AAA O   1 ? ?  
HETATM 2562 O O   . HOH H 6 .   ? 10.625  -4.819  8.098  1.000 46.916  ? 703 HOH AAA O   1 ? ?  
HETATM 2563 O O   . HOH H 6 .   ? 2.820   -14.330 27.600 1.000 46.217  ? 704 HOH AAA O   1 ? ?  
HETATM 2564 O O   . HOH H 6 .   ? 11.259  -6.429  12.059 1.000 59.767  ? 705 HOH AAA O   1 ? ?  
HETATM 2565 O O   . HOH H 6 .   ? 8.232   -7.880  9.186  1.000 50.574  ? 706 HOH AAA O   1 ? ?  
HETATM 2566 O O   . HOH H 6 .   ? 27.745  -33.972 6.273  1.000 43.126  ? 707 HOH AAA O   1 ? ?  
HETATM 2567 O O   . HOH H 6 .   ? 7.738   -29.408 12.120 1.000 62.872  ? 708 HOH AAA O   1 ? ?  
HETATM 2568 O O   . HOH H 6 .   ? 19.590  -38.548 2.306  1.000 66.856  ? 709 HOH AAA O   1 ? ?  
HETATM 2569 O O   . HOH H 6 .   ? 8.849   -8.070  17.849 1.000 51.691  ? 710 HOH AAA O   1 ? ?  
HETATM 2570 O O   . HOH H 6 .   ? 26.356  -40.544 -2.646 1.000 55.724  ? 711 HOH AAA O   1 ? ?  
HETATM 2571 O O   . HOH H 6 .   ? 23.239  -13.222 21.326 1.000 50.252  ? 712 HOH AAA O   1 ? ?  
HETATM 2572 O O   . HOH H 6 .   ? 20.617  -39.344 16.921 1.000 42.832  ? 713 HOH AAA O   1 ? ?  
HETATM 2573 O O   . HOH H 6 .   ? 10.567  -6.918  15.380 1.000 57.330  ? 714 HOH AAA O   1 ? ?  
HETATM 2574 O O   . HOH H 6 .   ? 33.790  -29.506 2.895  1.000 56.288  ? 715 HOH AAA O   1 ? ?  
HETATM 2575 O O   . HOH H 6 .   ? 8.534   -25.148 11.139 1.000 44.936  ? 716 HOH AAA O   1 ? ?  
HETATM 2576 O O   . HOH H 6 .   ? 25.726  -32.954 7.879  1.000 40.996  ? 717 HOH AAA O   1 ? ?  
HETATM 2577 O O   . HOH H 6 .   ? 25.362  -10.558 4.130  1.000 57.362  ? 718 HOH AAA O   1 ? ?  
HETATM 2578 O O   . HOH H 6 .   ? 10.986  -37.025 30.218 1.000 62.860  ? 719 HOH AAA O   1 ? ?  
HETATM 2579 O O   . HOH H 6 .   ? 29.395  -14.684 9.623  1.000 46.028  ? 720 HOH AAA O   1 ? ?  
HETATM 2580 O O   . HOH H 6 .   ? 23.927  -16.648 23.141 1.000 46.798  ? 721 HOH AAA O   1 ? ?  
HETATM 2581 O O   . HOH H 6 .   ? 4.518   -16.591 18.707 1.000 57.773  ? 722 HOH AAA O   1 ? ?  
HETATM 2582 O O   . HOH H 6 .   ? 34.181  -30.613 -3.415 1.000 50.575  ? 723 HOH AAA O   1 ? ?  
HETATM 2583 O O   . HOH H 6 .   ? 28.143  -17.478 7.238  1.000 57.646  ? 724 HOH AAA O   1 ? ?  
HETATM 2584 O O   . HOH H 6 .   ? 19.703  -22.633 26.748 1.000 46.321  ? 725 HOH AAA O   1 ? ?  
HETATM 2585 O O   . HOH H 6 .   ? 22.218  -5.824  14.237 1.000 60.503  ? 726 HOH AAA O   1 ? ?  
HETATM 2586 O O   . HOH H 6 .   ? 8.967   -22.353 22.333 1.000 45.755  ? 727 HOH AAA O   1 ? ?  
HETATM 2587 O O   . HOH H 6 .   ? 7.916   -15.349 17.071 1.000 51.834  ? 728 HOH AAA O   1 ? ?  
HETATM 2588 O O   . HOH H 6 .   ? 26.258  -14.784 11.708 1.000 46.263  ? 729 HOH AAA O   1 ? ?  
HETATM 2589 O O   . HOH H 6 .   ? 24.014  -28.592 12.646 1.000 34.376  ? 730 HOH AAA O   1 ? ?  
HETATM 2590 O O   . HOH H 6 .   ? 12.666  -32.694 22.772 1.000 45.474  ? 731 HOH AAA O   1 ? ?  
HETATM 2591 O O   . HOH H 6 .   ? 17.221  -21.846 2.116  1.000 50.580  ? 732 HOH AAA O   1 ? ?  
HETATM 2592 O O   . HOH H 6 .   ? 25.113  -40.304 4.604  1.000 53.734  ? 733 HOH AAA O   1 ? ?  
HETATM 2593 O O   . HOH H 6 .   ? 27.133  -34.027 10.101 1.000 49.969  ? 734 HOH AAA O   1 ? ?  
HETATM 2594 O O   . HOH H 6 .   ? 20.919  -19.168 10.902 1.000 36.841  ? 735 HOH AAA O   1 ? ?  
HETATM 2595 O O   . HOH H 6 .   ? 21.021  -15.888 5.352  1.000 48.719  ? 736 HOH AAA O   1 ? ?  
HETATM 2596 O O   . HOH H 6 .   ? 9.805   -29.384 28.851 1.000 57.136  ? 737 HOH AAA O   1 ? ?  
HETATM 2597 O O   . HOH H 6 .   ? 24.150  -27.704 15.388 1.000 41.583  ? 738 HOH AAA O   1 ? ?  
HETATM 2598 O O   . HOH H 6 .   ? 28.145  -30.921 20.175 1.000 45.278  ? 739 HOH AAA O   1 ? ?  
HETATM 2599 O O   . HOH H 6 .   ? 25.141  -12.893 19.443 1.000 48.184  ? 740 HOH AAA O   1 ? ?  
HETATM 2600 O O   . HOH H 6 .   ? 12.684  -30.376 20.102 1.000 58.708  ? 741 HOH AAA O   1 ? ?  
HETATM 2601 O O   . HOH H 6 .   ? 27.603  -25.174 33.298 1.000 69.723  ? 742 HOH AAA O   1 ? ?  
HETATM 2602 O O   . HOH H 6 .   ? 26.776  -17.017 10.258 1.000 46.515  ? 743 HOH AAA O   1 ? ?  
HETATM 2603 O O   . HOH H 6 .   ? 5.840   -25.270 19.224 1.000 49.241  ? 744 HOH AAA O   1 ? ?  
HETATM 2604 O O   . HOH H 6 .   ? 8.445   -21.705 19.730 1.000 54.130  ? 745 HOH AAA O   1 ? ?  
HETATM 2605 O O   . HOH H 6 .   ? 23.457  -36.983 16.693 1.000 41.530  ? 746 HOH AAA O   1 ? ?  
HETATM 2606 O O   . HOH H 6 .   ? 24.860  -12.075 2.057  1.000 49.098  ? 747 HOH AAA O   1 ? ?  
HETATM 2607 O O   . HOH H 6 .   ? 28.629  -19.194 15.557 1.000 55.825  ? 748 HOH AAA O   1 ? ?  
HETATM 2608 O O   . HOH H 6 .   ? 15.769  -23.752 6.832  1.000 62.092  ? 749 HOH AAA O   1 ? ?  
HETATM 2609 O O   . HOH H 6 .   ? 23.916  -11.066 8.633  1.000 45.447  ? 750 HOH AAA O   1 ? ?  
HETATM 2610 O O   . HOH H 6 .   ? 31.317  -36.997 -5.617 1.000 53.052  ? 751 HOH AAA O   1 ? ?  
HETATM 2611 O O   . HOH H 6 .   ? 14.375  -27.603 19.047 1.000 47.095  ? 752 HOH AAA O   1 ? ?  
HETATM 2612 O O   . HOH H 6 .   ? 29.111  -32.307 7.907  1.000 47.710  ? 753 HOH AAA O   1 ? ?  
HETATM 2613 O O   . HOH H 6 .   ? 24.925  -11.366 12.636 1.000 60.330  ? 754 HOH AAA O   1 ? ?  
HETATM 2614 O O   . HOH H 6 .   ? 27.591  -8.957  18.016 1.000 61.500  ? 755 HOH AAA O   1 ? ?  
HETATM 2615 O O   . HOH H 6 .   ? 8.258   -10.250 16.330 1.000 47.365  ? 756 HOH AAA O   1 ? ?  
HETATM 2616 O O   . HOH H 6 .   ? 8.018   -2.667  24.910 1.000 58.946  ? 757 HOH AAA O   1 ? ?  
HETATM 2617 O O   . HOH H 6 .   ? 6.913   -7.426  6.044  1.000 64.184  ? 758 HOH AAA O   1 ? ?  
HETATM 2618 O O   . HOH H 6 .   ? 24.423  -18.884 -0.584 1.000 47.505  ? 759 HOH AAA O   1 ? ?  
HETATM 2619 O O   . HOH H 6 .   ? 7.010   -20.836 13.942 1.000 44.817  ? 760 HOH AAA O   1 ? ?  
HETATM 2620 O O   . HOH H 6 .   ? 13.717  -5.765  12.421 1.000 55.079  ? 761 HOH AAA O   1 ? ?  
HETATM 2621 O O   . HOH H 6 .   ? 24.386  -15.426 18.650 1.000 42.067  ? 762 HOH AAA O   1 ? ?  
HETATM 2622 O O   . HOH H 6 .   ? 9.915   -28.843 32.411 1.000 66.993  ? 763 HOH AAA O   1 ? ?  
HETATM 2623 O O   . HOH H 6 .   ? 31.585  -40.108 1.305  1.000 60.397  ? 764 HOH AAA O   1 ? ?  
HETATM 2624 O O   . HOH H 6 .   ? 17.796  -37.244 19.213 1.000 53.978  ? 765 HOH AAA O   1 ? ?  
HETATM 2625 O O   . HOH H 6 .   ? 6.380   -8.858  3.236  1.000 63.160  ? 766 HOH AAA O   1 ? ?  
HETATM 2626 O O   . HOH H 6 .   ? 27.991  -14.517 33.910 1.000 64.582  ? 767 HOH AAA O   1 ? ?  
HETATM 2627 O O   . HOH H 6 .   ? 14.193  -22.639 4.970  1.000 56.718  ? 768 HOH AAA O   1 ? ?  
HETATM 2628 O O   . HOH H 6 .   ? 6.308   -19.657 18.883 1.000 59.957  ? 769 HOH AAA O   1 ? ?  
HETATM 2629 O O   . HOH H 6 .   ? 18.152  -40.003 13.934 1.000 53.735  ? 770 HOH AAA O   1 ? ?  
HETATM 2630 O O   . HOH H 6 .   ? 14.249  -6.448  15.273 1.000 65.889  ? 771 HOH AAA O   1 ? ?  
HETATM 2631 O O   . HOH H 6 .   ? 27.356  -38.687 4.584  1.000 60.849  ? 772 HOH AAA O   1 ? ?  
HETATM 2632 O O   . HOH H 6 .   ? 21.116  -28.633 19.998 1.000 56.715  ? 773 HOH AAA O   1 ? ?  
HETATM 2633 O O   . HOH H 6 .   ? 27.555  -18.361 13.206 1.000 50.147  ? 774 HOH AAA O   1 ? ?  
HETATM 2634 O O   . HOH H 6 .   ? 36.622  -30.834 -0.295 1.000 58.644  ? 775 HOH AAA O   1 ? ?  
HETATM 2635 O O   . HOH H 6 .   ? 19.190  -3.740  1.986  1.000 73.616  ? 776 HOH AAA O   1 ? ?  
HETATM 2636 O O   . HOH H 6 .   ? 26.470  -29.198 -2.743 1.000 46.031  ? 777 HOH AAA O   1 ? ?  
HETATM 2637 O O   . HOH H 6 .   ? 17.086  -16.182 -2.272 1.000 70.293  ? 778 HOH AAA O   1 ? ?  
HETATM 2638 O O   . HOH H 6 .   ? 34.233  -30.347 8.929  1.000 48.843  ? 779 HOH AAA O   1 ? ?  
HETATM 2639 O O   . HOH H 6 .   ? 23.258  -28.349 28.325 1.000 58.031  ? 780 HOH AAA O   1 ? ?  
HETATM 2640 O O   . HOH H 6 .   ? 16.124  -4.964  5.793  1.000 59.425  ? 781 HOH AAA O   1 ? ?  
HETATM 2641 O O   . HOH H 6 .   ? 26.455  -31.018 -5.039 1.000 57.123  ? 782 HOH AAA O   1 ? ?  
HETATM 2642 O O   . HOH H 6 .   ? 30.300  -34.907 10.906 1.000 60.878  ? 783 HOH AAA O   1 ? ?  
HETATM 2643 O O   . HOH H 6 .   ? 3.780   -5.402  20.197 1.000 55.078  ? 784 HOH AAA O   1 ? ?  
HETATM 2644 O O   . HOH H 6 .   ? 13.877  -17.866 4.518  1.000 55.641  ? 785 HOH AAA O   1 ? ?  
HETATM 2645 O O   . HOH H 6 .   ? 7.297   -16.674 14.523 1.000 52.697  ? 786 HOH AAA O   1 ? ?  
HETATM 2646 O O   . HOH H 6 .   ? 3.492   -12.504 4.705  1.000 72.588  ? 787 HOH AAA O   1 ? ?  
HETATM 2647 O O   . HOH H 6 .   ? 14.127  -32.690 9.009  1.000 63.136  ? 788 HOH AAA O   1 ? ?  
HETATM 2648 O O   . HOH H 6 .   ? 34.221  -33.398 2.772  1.000 51.127  ? 789 HOH AAA O   1 ? ?  
HETATM 2649 O O   . HOH H 6 .   ? 29.325  -21.050 22.010 1.000 62.363  ? 790 HOH AAA O   1 ? ?  
HETATM 2650 O O   . HOH H 6 .   ? 25.110  -29.354 30.923 1.000 59.628  ? 791 HOH AAA O   1 ? ?  
HETATM 2651 O O   . HOH H 6 .   ? 8.343   -15.531 0.637  1.000 62.345  ? 792 HOH AAA O   1 ? ?  
HETATM 2652 O O   . HOH H 6 .   ? 20.006  -20.042 -1.330 1.000 56.585  ? 793 HOH AAA O   1 ? ?  
HETATM 2653 O O   . HOH H 6 .   ? 32.462  -37.338 1.707  1.000 59.923  ? 794 HOH AAA O   1 ? ?  
HETATM 2654 O O   . HOH H 6 .   ? 27.932  -28.583 -6.577 1.000 57.884  ? 795 HOH AAA O   1 ? ?  
HETATM 2655 O O   . HOH H 6 .   ? 34.304  -40.233 -5.664 1.000 63.440  ? 796 HOH AAA O   1 ? ?  
HETATM 2656 O O   . HOH H 6 .   ? 15.467  -37.504 17.921 1.000 58.876  ? 797 HOH AAA O   1 ? ?  
HETATM 2657 O O   . HOH H 6 .   ? 24.864  -14.249 23.587 1.000 57.768  ? 798 HOH AAA O   1 ? ?  
HETATM 2658 O O   . HOH H 6 .   ? 4.469   -22.843 26.905 1.000 73.644  ? 799 HOH AAA O   1 ? ?  
HETATM 2659 O O   . HOH H 6 .   ? 13.420  -6.424  19.963 1.000 60.654  ? 800 HOH AAA O   1 ? ?  
HETATM 2660 O O   . HOH H 6 .   ? 15.553  -6.783  21.352 1.000 58.212  ? 801 HOH AAA O   1 ? ?  
HETATM 2661 O O   . HOH H 6 .   ? 15.060  -19.519 3.012  1.000 64.292  ? 802 HOH AAA O   1 ? ?  
HETATM 2662 O O   . HOH H 6 .   ? 28.209  -14.204 16.410 1.000 58.315  ? 803 HOH AAA O   1 ? ?  
HETATM 2663 O O   . HOH H 6 .   ? 27.818  -36.728 6.548  1.000 50.497  ? 804 HOH AAA O   1 ? ?  
HETATM 2664 O O   . HOH H 6 .   ? 17.816  -39.489 6.208  1.000 64.477  ? 805 HOH AAA O   1 ? ?  
HETATM 2665 O O   . HOH H 6 .   ? 35.205  -31.287 2.075  1.000 61.590  ? 806 HOH AAA O   1 ? ?  
HETATM 2666 O O   . HOH H 6 .   ? 6.973   -27.122 12.382 1.000 63.688  ? 807 HOH AAA O   1 ? ?  
HETATM 2667 O O   . HOH I 6 .   ? 6.285   -15.549 11.670 1.000 51.972  ? 301 HOH BBB O   1 ? ?  
HETATM 2668 O O   . HOH I 6 .   ? -9.916  -0.960  22.487 1.000 57.256  ? 302 HOH BBB O   1 ? ?  
HETATM 2669 O O   . HOH I 6 .   ? -13.418 -2.742  7.157  1.000 56.432  ? 303 HOH BBB O   1 ? ?  
HETATM 2670 O O   . HOH I 6 .   ? -12.403 0.461   17.978 1.000 55.046  ? 304 HOH BBB O   1 ? ?  
HETATM 2671 O O   . HOH I 6 .   ? 6.594   -9.333  13.695 1.000 59.546  ? 305 HOH BBB O   1 ? ?  
HETATM 2672 O O   . HOH I 6 .   ? -17.505 -1.894  19.215 1.000 60.376  ? 306 HOH BBB O   1 ? ?  
HETATM 2673 O O   . HOH I 6 .   ? 0.843   -10.270 24.561 1.000 43.732  ? 307 HOH BBB O   1 ? ?  
HETATM 2674 O O   . HOH I 6 .   ? 3.222   -1.223  25.327 1.000 58.810  ? 308 HOH BBB O   1 ? ?  
HETATM 2675 O O   . HOH I 6 .   ? 1.405   -11.103 15.268 1.000 46.842  ? 309 HOH BBB O   1 ? ?  
HETATM 2676 O O   . HOH I 6 .   ? -8.058  -0.719  7.370  1.000 61.422  ? 310 HOH BBB O   1 ? ?  
HETATM 2677 O O   . HOH I 6 .   ? 1.386   -3.850  17.651 1.000 48.006  ? 311 HOH BBB O   1 ? ?  
HETATM 2678 O O   . HOH I 6 .   ? -19.843 2.044   16.049 1.000 56.327  ? 312 HOH BBB O   1 ? ?  
HETATM 2679 O O   . HOH I 6 .   ? 4.133   -16.782 28.182 1.000 51.925  ? 313 HOH BBB O   1 ? ?  
HETATM 2680 O O   . HOH I 6 .   ? -15.107 1.316   7.257  1.000 54.758  ? 314 HOH BBB O   1 ? ?  
HETATM 2681 O O   . HOH I 6 .   ? -10.957 -6.511  27.987 1.000 61.220  ? 315 HOH BBB O   1 ? ?  
HETATM 2682 O O   . HOH I 6 .   ? -6.102  -1.132  24.920 1.000 63.438  ? 316 HOH BBB O   1 ? ?  
HETATM 2683 O O   . HOH I 6 .   ? 1.436   -3.608  21.756 1.000 60.957  ? 317 HOH BBB O   1 ? ?  
HETATM 2684 O O   . HOH I 6 .   ? 1.191   -13.170 24.672 1.000 47.437  ? 318 HOH BBB O   1 ? ?  
HETATM 2685 O O   . HOH I 6 .   ? 0.466   -3.406  32.800 1.000 56.992  ? 319 HOH BBB O   1 ? ?  
HETATM 2686 O O   . HOH I 6 .   ? -6.048  0.807   21.178 1.000 56.981  ? 320 HOH BBB O   1 ? ?  
HETATM 2687 O O   . HOH I 6 .   ? -4.144  -0.042  23.408 1.000 73.509  ? 321 HOH BBB O   1 ? ?  
HETATM 2688 O O   . HOH I 6 .   ? -0.257  -18.377 7.634  1.000 70.890  ? 322 HOH BBB O   1 ? ?  
HETATM 2689 O O   . HOH I 6 .   ? -4.651  0.338   16.362 1.000 57.843  ? 323 HOH BBB O   1 ? ?  
HETATM 2690 O O   . HOH I 6 .   ? -5.246  -1.116  8.434  1.000 65.606  ? 324 HOH BBB O   1 ? ?  
HETATM 2691 O O   . HOH I 6 .   ? 3.525   -6.937  15.481 1.000 58.855  ? 325 HOH BBB O   1 ? ?  
HETATM 2692 O O   . HOH I 6 .   ? -17.628 3.648   3.748  1.000 57.708  ? 326 HOH BBB O   1 ? ?  
HETATM 2693 O O   . HOH I 6 .   ? -8.288  1.505   22.420 1.000 63.984  ? 327 HOH BBB O   1 ? ?  
HETATM 2694 O O   . HOH I 6 .   ? -5.341  -12.709 34.912 1.000 80.657  ? 328 HOH BBB O   1 ? ?  
HETATM 2695 O O   . HOH I 6 .   ? -7.959  1.240   5.670  1.000 68.729  ? 329 HOH BBB O   1 ? ?  
HETATM 2696 O O   . HOH I 6 .   ? -4.823  -10.031 34.095 1.000 76.127  ? 330 HOH BBB O   1 ? ?  
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . ILE A 14  ? 1.997 1.887 1.956 0.011  -0.134 0.058  332 ILE AAA N   
2    C CA  . ILE A 14  ? 1.873 1.810 1.889 0.025  -0.112 0.048  332 ILE AAA CA  
3    C C   . ILE A 14  ? 1.790 1.716 1.769 0.028  -0.090 0.036  332 ILE AAA C   
4    O O   . ILE A 14  ? 1.602 1.525 1.561 0.038  -0.069 0.040  332 ILE AAA O   
5    C CB  . ILE A 14  ? 1.877 1.819 1.914 0.037  -0.094 0.043  332 ILE AAA CB  
6    C CG1 . ILE A 14  ? 1.855 1.777 1.853 0.029  -0.087 0.041  332 ILE AAA CG1 
7    C CG2 . ILE A 14  ? 1.764 1.707 1.840 0.054  -0.094 0.064  332 ILE AAA CG2 
8    C CD1 . ILE A 14  ? 1.799 1.702 1.785 0.017  -0.076 0.037  332 ILE AAA CD1 
9    N N   . THR A 15  ? 1.760 1.684 1.736 0.023  -0.090 0.033  333 THR AAA N   
10   C CA  . THR A 15  ? 1.787 1.691 1.723 0.035  -0.062 0.028  333 THR AAA CA  
11   C C   . THR A 15  ? 1.664 1.611 1.649 0.040  -0.056 0.020  333 THR AAA C   
12   O O   . THR A 15  ? 1.423 1.351 1.377 0.049  -0.037 0.018  333 THR AAA O   
13   C CB  . THR A 15  ? 1.867 1.675 1.697 0.019  -0.060 0.029  333 THR AAA CB  
14   O OG1 . THR A 15  ? 1.803 1.608 1.634 -0.005 -0.073 0.025  333 THR AAA OG1 
15   C CG2 . THR A 15  ? 1.907 1.654 1.674 -0.012 -0.091 0.036  333 THR AAA CG2 
16   N N   . ASN A 16  ? 1.507 1.486 1.546 0.040  -0.060 0.018  334 ASN AAA N   
17   C CA  . ASN A 16  ? 1.518 1.503 1.573 0.046  -0.043 0.010  334 ASN AAA CA  
18   C C   . ASN A 16  ? 1.416 1.404 1.441 0.042  -0.041 0.009  334 ASN AAA C   
19   O O   . ASN A 16  ? 1.252 1.235 1.268 0.029  -0.049 0.011  334 ASN AAA O   
20   C CB  . ASN A 16  ? 1.547 1.526 1.637 0.055  -0.031 0.017  334 ASN AAA CB  
21   C CG  . ASN A 16  ? 1.574 1.590 1.730 0.059  -0.029 0.041  334 ASN AAA CG  
22   O OD1 . ASN A 16  ? 1.542 1.572 1.750 0.081  -0.010 0.066  334 ASN AAA OD1 
23   N ND2 . ASN A 16  ? 1.475 1.504 1.627 0.038  -0.045 0.042  334 ASN AAA ND2 
24   N N   . LEU A 17  ? 1.341 1.339 1.350 0.048  -0.034 0.012  335 LEU AAA N   
25   C CA  . LEU A 17  ? 1.356 1.387 1.354 0.038  -0.045 0.031  335 LEU AAA CA  
26   C C   . LEU A 17  ? 1.306 1.289 1.256 0.009  -0.052 0.019  335 LEU AAA C   
27   O O   . LEU A 17  ? 1.409 1.350 1.333 0.018  -0.034 0.005  335 LEU AAA O   
28   C CB  . LEU A 17  ? 1.341 1.394 1.336 0.065  -0.030 0.050  335 LEU AAA CB  
29   C CG  . LEU A 17  ? 1.467 1.586 1.475 0.058  -0.048 0.092  335 LEU AAA CG  
30   C CD1 . LEU A 17  ? 1.431 1.600 1.466 0.108  -0.018 0.138  335 LEU AAA CD1 
31   C CD2 . LEU A 17  ? 1.508 1.591 1.467 0.038  -0.060 0.081  335 LEU AAA CD2 
32   N N   . CYS A 18  ? 1.881 1.664 0.938 0.091  -0.116 -0.354 336 CYS AAA N   
33   C CA  . CYS A 18  ? 1.714 1.581 0.883 0.066  -0.106 -0.312 336 CYS AAA CA  
34   C C   . CYS A 18  ? 1.438 1.346 0.743 0.018  -0.105 -0.310 336 CYS AAA C   
35   C CB  . CYS A 18  ? 1.683 1.554 0.829 0.092  -0.040 -0.264 336 CYS AAA CB  
36   S SG  . CYS A 18  ? 1.719 1.561 0.728 0.141  -0.048 -0.252 336 CYS AAA SG  
37   N N   . PRO A 19  ? 1.425 1.398 0.820 -0.012 -0.140 -0.304 337 PRO AAA N   
38   C CA  . PRO A 19  ? 1.331 1.337 0.845 -0.055 -0.140 -0.300 337 PRO AAA CA  
39   C C   . PRO A 19  ? 1.189 1.224 0.760 -0.058 -0.089 -0.255 337 PRO AAA C   
40   O O   . PRO A 19  ? 1.107 1.198 0.750 -0.074 -0.092 -0.232 337 PRO AAA O   
41   C CB  . PRO A 19  ? 1.295 1.359 0.871 -0.078 -0.192 -0.311 337 PRO AAA CB  
42   C CG  . PRO A 19  ? 1.292 1.381 0.812 -0.045 -0.196 -0.290 337 PRO AAA CG  
43   C CD  . PRO A 19  ? 1.383 1.401 0.770 -0.002 -0.175 -0.296 337 PRO AAA CD  
44   N N   . PHE A 20  ? 1.162 1.160 0.701 -0.037 -0.044 -0.246 338 PHE AAA N   
45   C CA  . PHE A 20  ? 1.062 1.082 0.659 -0.036 -0.000 -0.211 338 PHE AAA CA  
46   C C   . PHE A 20  ? 0.976 0.996 0.647 -0.062 -0.003 -0.212 338 PHE AAA C   
47   O O   . PHE A 20  ? 0.884 0.933 0.612 -0.066 0.013  -0.185 338 PHE AAA O   
48   C CB  . PHE A 20  ? 1.102 1.086 0.653 -0.004 0.047  -0.205 338 PHE AAA CB  
49   C CG  . PHE A 20  ? 1.112 1.098 0.603 0.024  0.069  -0.188 338 PHE AAA CG  
50   C CD1 . PHE A 20  ? 1.076 1.107 0.589 0.020  0.059  -0.164 338 PHE AAA CD1 
51   C CD2 . PHE A 20  ? 1.198 1.132 0.607 0.057  0.106  -0.193 338 PHE AAA CD2 
52   C CE1 . PHE A 20  ? 1.097 1.119 0.548 0.047  0.082  -0.145 338 PHE AAA CE1 
53   C CE2 . PHE A 20  ? 1.267 1.190 0.612 0.084  0.135  -0.172 338 PHE AAA CE2 
54   C CZ  . PHE A 20  ? 1.176 1.142 0.543 0.079  0.123  -0.148 338 PHE AAA CZ  
55   N N   . GLY A 21  ? 1.011 0.991 0.673 -0.078 -0.024 -0.242 339 GLY AAA N   
56   C CA  . GLY A 21  ? 1.003 0.970 0.727 -0.105 -0.026 -0.242 339 GLY AAA CA  
57   C C   . GLY A 21  ? 0.933 0.954 0.725 -0.128 -0.035 -0.219 339 GLY AAA C   
58   O O   . GLY A 21  ? 0.881 0.902 0.714 -0.133 -0.016 -0.195 339 GLY AAA O   
59   N N   . GLU A 22  ? 0.929 0.991 0.727 -0.138 -0.064 -0.226 340 GLU AAA N   
60   C CA  . GLU A 22  ? 0.895 1.014 0.762 -0.158 -0.073 -0.207 340 GLU AAA CA  
61   C C   . GLU A 22  ? 0.745 0.894 0.624 -0.142 -0.047 -0.169 340 GLU AAA C   
62   O O   . GLU A 22  ? 0.753 0.923 0.682 -0.155 -0.038 -0.149 340 GLU AAA O   
63   C CB  . GLU A 22  ? 0.976 1.138 0.844 -0.161 -0.112 -0.223 340 GLU AAA CB  
64   C CG  . GLU A 22  ? 1.083 1.240 0.992 -0.191 -0.148 -0.260 340 GLU AAA CG  
65   C CD  . GLU A 22  ? 1.151 1.342 1.045 -0.183 -0.200 -0.287 340 GLU AAA CD  
66   O OE1 . GLU A 22  ? 1.146 1.378 1.020 -0.160 -0.203 -0.267 340 GLU AAA OE1 
67   O OE2 . GLU A 22  ? 1.201 1.374 1.103 -0.198 -0.239 -0.329 340 GLU AAA OE2 
68   N N   . VAL A 23  ? 0.719 0.867 0.552 -0.114 -0.033 -0.161 341 VAL AAA N   
69   C CA  . VAL A 23  ? 0.693 0.869 0.545 -0.099 -0.012 -0.129 341 VAL AAA CA  
70   C C   . VAL A 23  ? 0.659 0.808 0.534 -0.095 0.009  -0.120 341 VAL AAA C   
71   O O   . VAL A 23  ? 0.612 0.776 0.523 -0.099 0.012  -0.101 341 VAL AAA O   
72   C CB  . VAL A 23  ? 0.719 0.900 0.526 -0.074 -0.000 -0.123 341 VAL AAA CB  
73   C CG1 . VAL A 23  ? 0.667 0.875 0.507 -0.064 0.019  -0.094 341 VAL AAA CG1 
74   C CG2 . VAL A 23  ? 0.782 0.977 0.548 -0.070 -0.027 -0.133 341 VAL AAA CG2 
75   N N   . PHE A 24  ? 0.675 0.782 0.525 -0.083 0.022  -0.134 342 PHE AAA N   
76   C CA  . PHE A 24  ? 0.719 0.802 0.590 -0.069 0.040  -0.127 342 PHE AAA CA  
77   C C   . PHE A 24  ? 0.693 0.743 0.581 -0.082 0.034  -0.126 342 PHE AAA C   
78   O O   . PHE A 24  ? 0.688 0.729 0.595 -0.069 0.039  -0.112 342 PHE AAA O   
79   C CB  . PHE A 24  ? 0.727 0.780 0.571 -0.049 0.059  -0.143 342 PHE AAA CB  
80   C CG  . PHE A 24  ? 0.737 0.816 0.579 -0.030 0.081  -0.134 342 PHE AAA CG  
81   C CD1 . PHE A 24  ? 0.791 0.874 0.580 -0.027 0.082  -0.138 342 PHE AAA CD1 
82   C CD2 . PHE A 24  ? 0.703 0.801 0.598 -0.014 0.100  -0.121 342 PHE AAA CD2 
83   C CE1 . PHE A 24  ? 0.781 0.876 0.562 -0.008 0.111  -0.124 342 PHE AAA CE1 
84   C CE2 . PHE A 24  ? 0.689 0.809 0.595 -0.002 0.127  -0.110 342 PHE AAA CE2 
85   C CZ  . PHE A 24  ? 0.747 0.862 0.593 0.001  0.137  -0.109 342 PHE AAA CZ  
86   N N   . ASN A 25  ? 0.784 0.811 0.663 -0.106 0.023  -0.142 343 ASN AAA N   
87   C CA  . ASN A 25  ? 0.842 0.820 0.731 -0.121 0.027  -0.141 343 ASN AAA CA  
88   C C   . ASN A 25  ? 0.780 0.781 0.704 -0.149 0.022  -0.130 343 ASN AAA C   
89   O O   . ASN A 25  ? 0.849 0.811 0.787 -0.170 0.029  -0.133 343 ASN AAA O   
90   C CB  . ASN A 25  ? 0.957 0.880 0.821 -0.127 0.024  -0.171 343 ASN AAA CB  
91   C CG  . ASN A 25  ? 1.095 0.982 0.932 -0.096 0.038  -0.178 343 ASN AAA CG  
92   O OD1 . ASN A 25  ? 1.091 0.977 0.942 -0.074 0.048  -0.159 343 ASN AAA OD1 
93   N ND2 . ASN A 25  ? 1.241 1.095 1.040 -0.091 0.037  -0.207 343 ASN AAA ND2 
94   N N   . ALA A 26  ? 0.716 0.778 0.658 -0.149 0.016  -0.117 344 ALA AAA N   
95   C CA  . ALA A 26  ? 0.676 0.766 0.658 -0.170 0.019  -0.101 344 ALA AAA CA  
96   C C   . ALA A 26  ? 0.687 0.731 0.664 -0.163 0.043  -0.077 344 ALA AAA C   
97   O O   . ALA A 26  ? 0.712 0.739 0.661 -0.134 0.046  -0.065 344 ALA AAA O   
98   C CB  . ALA A 26  ? 0.626 0.781 0.618 -0.160 0.010  -0.089 344 ALA AAA CB  
99   N N   . THR A 27  ? 0.786 0.807 0.790 -0.187 0.060  -0.070 345 THR AAA N   
100  C CA  . THR A 27  ? 0.856 0.819 0.841 -0.177 0.090  -0.042 345 THR AAA CA  
101  C C   . THR A 27  ? 0.795 0.787 0.765 -0.154 0.095  -0.017 345 THR AAA C   
102  O O   . THR A 27  ? 0.801 0.752 0.723 -0.122 0.098  -0.002 345 THR AAA O   
103  C CB  . THR A 27  ? 0.916 0.847 0.942 -0.213 0.115  -0.040 345 THR AAA CB  
104  O OG1 . THR A 27  ? 0.942 0.948 1.035 -0.239 0.108  -0.048 345 THR AAA OG1 
105  C CG2 . THR A 27  ? 0.964 0.845 0.993 -0.232 0.110  -0.067 345 THR AAA CG2 
106  N N   . ARG A 28  ? 0.796 0.858 0.805 -0.165 0.088  -0.016 346 ARG AAA N   
107  C CA  . ARG A 28  ? 0.755 0.852 0.756 -0.144 0.091  0.004  346 ARG AAA CA  
108  C C   . ARG A 28  ? 0.653 0.799 0.648 -0.128 0.062  -0.007 346 ARG AAA C   
109  O O   . ARG A 28  ? 0.653 0.838 0.671 -0.143 0.045  -0.026 346 ARG AAA O   
110  C CB  . ARG A 28  ? 0.782 0.925 0.837 -0.165 0.107  0.013  346 ARG AAA CB  
111  C CG  . ARG A 28  ? 0.831 0.929 0.902 -0.181 0.151  0.031  346 ARG AAA CG  
112  C CD  . ARG A 28  ? 0.847 1.000 0.993 -0.202 0.172  0.039  346 ARG AAA CD  
113  N NE  . ARG A 28  ? 0.908 1.011 1.073 -0.217 0.226  0.061  346 ARG AAA NE  
114  C CZ  . ARG A 28  ? 0.920 1.061 1.167 -0.240 0.260  0.070  346 ARG AAA CZ  
115  N NH1 . ARG A 28  ? 0.872 1.104 1.188 -0.247 0.240  0.058  346 ARG AAA NH1 
116  N NH2 . ARG A 28  ? 0.949 1.032 1.210 -0.254 0.318  0.093  346 ARG AAA NH2 
117  N N   . PHE A 29  ? 0.596 0.734 0.560 -0.099 0.057  0.004  347 PHE AAA N   
118  C CA  . PHE A 29  ? 0.544 0.726 0.513 -0.084 0.038  0.000  347 PHE AAA CA  
119  C C   . PHE A 29  ? 0.496 0.702 0.465 -0.073 0.042  0.017  347 PHE AAA C   
120  O O   . PHE A 29  ? 0.472 0.645 0.418 -0.064 0.059  0.033  347 PHE AAA O   
121  C CB  . PHE A 29  ? 0.557 0.715 0.508 -0.060 0.026  -0.006 347 PHE AAA CB  
122  C CG  . PHE A 29  ? 0.526 0.689 0.487 -0.065 0.021  -0.025 347 PHE AAA CG  
123  C CD1 . PHE A 29  ? 0.634 0.775 0.591 -0.083 0.026  -0.037 347 PHE AAA CD1 
124  C CD2 . PHE A 29  ? 0.536 0.721 0.511 -0.052 0.015  -0.031 347 PHE AAA CD2 
125  C CE1 . PHE A 29  ? 0.665 0.804 0.618 -0.083 0.024  -0.056 347 PHE AAA CE1 
126  C CE2 . PHE A 29  ? 0.546 0.731 0.523 -0.053 0.020  -0.046 347 PHE AAA CE2 
127  C CZ  . PHE A 29  ? 0.591 0.751 0.551 -0.066 0.024  -0.059 347 PHE AAA CZ  
128  N N   . ALA A 30  ? 0.462 0.714 0.447 -0.071 0.031  0.014  348 ALA AAA N   
129  C CA  . ALA A 30  ? 0.471 0.749 0.459 -0.059 0.032  0.027  348 ALA AAA CA  
130  C C   . ALA A 30  ? 0.532 0.777 0.488 -0.031 0.024  0.031  348 ALA AAA C   
131  O O   . ALA A 30  ? 0.514 0.736 0.465 -0.021 0.011  0.021  348 ALA AAA O   
132  C CB  . ALA A 30  ? 0.447 0.773 0.455 -0.063 0.020  0.022  348 ALA AAA CB  
133  N N   . SER A 31  ? 0.520 0.762 0.460 -0.015 0.030  0.043  349 SER AAA N   
134  C CA  . SER A 31  ? 0.483 0.702 0.397 0.013  0.013  0.041  349 SER AAA CA  
135  C C   . SER A 31  ? 0.463 0.720 0.414 0.009  -0.001 0.033  349 SER AAA C   
136  O O   . SER A 31  ? 0.428 0.726 0.402 -0.006 0.006  0.037  349 SER AAA O   
137  C CB  . SER A 31  ? 0.498 0.700 0.378 0.032  0.026  0.055  349 SER AAA CB  
138  O OG  . SER A 31  ? 0.567 0.713 0.395 0.046  0.041  0.064  349 SER AAA OG  
139  N N   . VAL A 32  ? 0.427 0.666 0.383 0.023  -0.021 0.022  350 VAL AAA N   
140  C CA  . VAL A 32  ? 0.438 0.702 0.435 0.018  -0.027 0.015  350 VAL AAA CA  
141  C C   . VAL A 32  ? 0.446 0.728 0.440 0.022  -0.022 0.026  350 VAL AAA C   
142  O O   . VAL A 32  ? 0.428 0.736 0.443 0.012  -0.013 0.030  350 VAL AAA O   
143  C CB  . VAL A 32  ? 0.427 0.670 0.450 0.032  -0.050 -0.002 350 VAL AAA CB  
144  C CG1 . VAL A 32  ? 0.456 0.665 0.450 0.057  -0.074 -0.008 350 VAL AAA CG1 
145  C CG2 . VAL A 32  ? 0.426 0.692 0.504 0.021  -0.043 -0.006 350 VAL AAA CG2 
146  N N   . TYR A 33  ? 0.438 0.703 0.401 0.039  -0.024 0.031  351 TYR AAA N   
147  C CA  . TYR A 33  ? 0.444 0.724 0.405 0.047  -0.017 0.041  351 TYR AAA CA  
148  C C   . TYR A 33  ? 0.437 0.763 0.413 0.032  -0.000 0.053  351 TYR AAA C   
149  O O   . TYR A 33  ? 0.405 0.753 0.389 0.037  0.002  0.060  351 TYR AAA O   
150  C CB  . TYR A 33  ? 0.499 0.747 0.415 0.073  -0.018 0.043  351 TYR AAA CB  
151  C CG  . TYR A 33  ? 0.458 0.713 0.352 0.074  0.008  0.058  351 TYR AAA CG  
152  C CD1 . TYR A 33  ? 0.521 0.747 0.387 0.074  0.017  0.060  351 TYR AAA CD1 
153  C CD2 . TYR A 33  ? 0.479 0.767 0.385 0.077  0.027  0.071  351 TYR AAA CD2 
154  C CE1 . TYR A 33  ? 0.517 0.747 0.374 0.071  0.050  0.076  351 TYR AAA CE1 
155  C CE2 . TYR A 33  ? 0.468 0.770 0.376 0.075  0.056  0.084  351 TYR AAA CE2 
156  C CZ  . TYR A 33  ? 0.489 0.761 0.375 0.070  0.071  0.087  351 TYR AAA CZ  
157  O OH  . TYR A 33  ? 0.542 0.824 0.439 0.064  0.107  0.102  351 TYR AAA OH  
158  N N   . ALA A 34  ? 0.397 0.733 0.375 0.017  0.008  0.053  352 ALA AAA N   
159  C CA  . ALA A 34  ? 0.434 0.814 0.435 0.003  0.017  0.059  352 ALA AAA CA  
160  C C   . ALA A 34  ? 0.395 0.783 0.406 -0.016 0.010  0.048  352 ALA AAA C   
161  O O   . ALA A 34  ? 0.461 0.865 0.486 -0.033 0.012  0.044  352 ALA AAA O   
162  C CB  . ALA A 34  ? 0.458 0.838 0.462 -0.001 0.036  0.066  352 ALA AAA CB  
163  N N   . TRP A 35  ? 0.398 0.772 0.404 -0.013 0.004  0.043  353 TRP AAA N   
164  C CA  . TRP A 35  ? 0.432 0.801 0.438 -0.025 0.004  0.033  353 TRP AAA CA  
165  C C   . TRP A 35  ? 0.433 0.831 0.436 -0.036 -0.001 0.030  353 TRP AAA C   
166  O O   . TRP A 35  ? 0.373 0.799 0.378 -0.028 -0.007 0.037  353 TRP AAA O   
167  C CB  . TRP A 35  ? 0.419 0.774 0.430 -0.019 0.008  0.032  353 TRP AAA CB  
168  C CG  . TRP A 35  ? 0.440 0.802 0.447 -0.008 0.012  0.044  353 TRP AAA CG  
169  C CD1 . TRP A 35  ? 0.419 0.772 0.435 0.004  0.010  0.050  353 TRP AAA CD1 
170  C CD2 . TRP A 35  ? 0.439 0.807 0.423 -0.004 0.019  0.051  353 TRP AAA CD2 
171  N NE1 . TRP A 35  ? 0.455 0.810 0.462 0.013  0.018  0.062  353 TRP AAA NE1 
172  C CE2 . TRP A 35  ? 0.495 0.858 0.478 0.010  0.023  0.064  353 TRP AAA CE2 
173  C CE3 . TRP A 35  ? 0.485 0.855 0.440 -0.007 0.020  0.046  353 TRP AAA CE3 
174  C CZ2 . TRP A 35  ? 0.513 0.870 0.464 0.022  0.032  0.077  353 TRP AAA CZ2 
175  C CZ3 . TRP A 35  ? 0.534 0.897 0.450 0.008  0.026  0.057  353 TRP AAA CZ3 
176  C CH2 . TRP A 35  ? 0.509 0.865 0.422 0.023  0.032  0.074  353 TRP AAA CH2 
177  N N   . ASN A 36  ? 0.446 0.836 0.446 -0.050 -0.003 0.017  354 ASN AAA N   
178  C CA  . ASN A 36  ? 0.463 0.874 0.460 -0.060 -0.016 0.005  354 ASN AAA CA  
179  C C   . ASN A 36  ? 0.483 0.883 0.440 -0.049 -0.018 -0.000 354 ASN AAA C   
180  O O   . ASN A 36  ? 0.494 0.863 0.436 -0.046 -0.003 -0.001 354 ASN AAA O   
181  C CB  . ASN A 36  ? 0.496 0.894 0.508 -0.081 -0.016 -0.009 354 ASN AAA CB  
182  C CG  . ASN A 36  ? 0.595 1.017 0.620 -0.095 -0.036 -0.027 354 ASN AAA CG  
183  O OD1 . ASN A 36  ? 0.662 1.121 0.731 -0.103 -0.043 -0.026 354 ASN AAA OD1 
184  N ND2 . ASN A 36  ? 0.692 1.093 0.681 -0.094 -0.047 -0.044 354 ASN AAA ND2 
185  N N   . ARG A 37  ? 0.552 0.972 0.489 -0.041 -0.036 -0.003 355 ARG AAA N   
186  C CA  . ARG A 37  ? 0.510 0.907 0.386 -0.025 -0.039 -0.007 355 ARG AAA CA  
187  C C   . ARG A 37  ? 0.569 0.973 0.429 -0.031 -0.070 -0.033 355 ARG AAA C   
188  O O   . ARG A 37  ? 0.551 0.995 0.442 -0.034 -0.098 -0.040 355 ARG AAA O   
189  C CB  . ARG A 37  ? 0.558 0.956 0.402 0.000  -0.038 0.011  355 ARG AAA CB  
190  C CG  . ARG A 37  ? 0.632 0.997 0.394 0.023  -0.040 0.009  355 ARG AAA CG  
191  C CD  . ARG A 37  ? 0.660 1.004 0.384 0.049  -0.021 0.036  355 ARG AAA CD  
192  N NE  . ARG A 37  ? 0.669 0.984 0.412 0.044  0.023  0.051  355 ARG AAA NE  
193  C CZ  . ARG A 37  ? 0.720 1.001 0.438 0.061  0.055  0.075  355 ARG AAA CZ  
194  N NH1 . ARG A 37  ? 0.811 1.075 0.466 0.088  0.049  0.089  355 ARG AAA NH1 
195  N NH2 . ARG A 37  ? 0.731 0.993 0.490 0.051  0.092  0.083  355 ARG AAA NH2 
196  N N   . LYS A 38  ? 0.608 0.974 0.422 -0.030 -0.065 -0.048 356 LYS AAA N   
197  C CA  . LYS A 38  ? 0.675 1.030 0.455 -0.032 -0.097 -0.079 356 LYS AAA CA  
198  C C   . LYS A 38  ? 0.837 1.152 0.515 0.002  -0.096 -0.078 356 LYS AAA C   
199  O O   . LYS A 38  ? 0.840 1.115 0.480 0.014  -0.055 -0.064 356 LYS AAA O   
200  C CB  . LYS A 38  ? 0.691 1.020 0.488 -0.054 -0.087 -0.096 356 LYS AAA CB  
201  C CG  . LYS A 38  ? 0.777 1.080 0.534 -0.056 -0.116 -0.132 356 LYS AAA CG  
202  C CD  . LYS A 38  ? 0.827 1.168 0.642 -0.077 -0.159 -0.155 356 LYS AAA CD  
203  C CE  . LYS A 38  ? 0.923 1.231 0.712 -0.086 -0.189 -0.197 356 LYS AAA CE  
204  N NZ  . LYS A 38  ? 0.981 1.327 0.797 -0.089 -0.248 -0.226 356 LYS AAA NZ  
205  N N   . ARG A 39  ? 0.677 1.279 0.689 0.069  -0.067 0.098  357 ARG AAA N   
206  C CA  . ARG A 39  ? 0.760 1.393 0.748 0.079  -0.073 0.113  357 ARG AAA CA  
207  C C   . ARG A 39  ? 0.753 1.393 0.697 0.069  -0.090 0.085  357 ARG AAA C   
208  O O   . ARG A 39  ? 0.774 1.423 0.725 0.055  -0.108 0.066  357 ARG AAA O   
209  C CB  . ARG A 39  ? 0.844 1.523 0.858 0.087  -0.081 0.144  357 ARG AAA CB  
210  C CG  . ARG A 39  ? 0.914 1.585 0.971 0.102  -0.060 0.173  357 ARG AAA CG  
211  C CD  . ARG A 39  ? 1.029 1.735 1.130 0.109  -0.063 0.201  357 ARG AAA CD  
212  N NE  . ARG A 39  ? 1.086 1.768 1.235 0.118  -0.041 0.212  357 ARG AAA NE  
213  C CZ  . ARG A 39  ? 1.147 1.804 1.317 0.113  -0.033 0.194  357 ARG AAA CZ  
214  N NH1 . ARG A 39  ? 1.061 1.700 1.273 0.123  -0.013 0.200  357 ARG AAA NH1 
215  N NH2 . ARG A 39  ? 1.148 1.801 1.302 0.097  -0.044 0.171  357 ARG AAA NH2 
216  N N   . ILE A 40  ? 0.768 1.399 0.676 0.077  -0.083 0.080  358 ILE AAA N   
217  C CA  . ILE A 40  ? 0.835 1.477 0.698 0.071  -0.097 0.051  358 ILE AAA CA  
218  C C   . ILE A 40  ? 0.882 1.579 0.717 0.086  -0.104 0.072  358 ILE AAA C   
219  O O   . ILE A 40  ? 0.893 1.596 0.723 0.104  -0.087 0.101  358 ILE AAA O   
220  C CB  . ILE A 40  ? 0.828 1.426 0.671 0.070  -0.082 0.030  358 ILE AAA CB  
221  C CG1 . ILE A 40  ? 0.842 1.393 0.717 0.059  -0.071 0.021  358 ILE AAA CG1 
222  C CG2 . ILE A 40  ? 0.854 1.460 0.658 0.064  -0.096 -0.006 358 ILE AAA CG2 
223  C CD1 . ILE A 40  ? 0.865 1.399 0.744 0.041  -0.083 -0.012 358 ILE AAA CD1 
224  N N   . SER A 41  ? 0.901 1.642 0.722 0.080  -0.130 0.059  359 SER AAA N   
225  C CA  . SER A 41  ? 0.886 1.694 0.680 0.094  -0.143 0.078  359 SER AAA CA  
226  C C   . SER A 41  ? 0.908 1.743 0.661 0.084  -0.169 0.034  359 SER AAA C   
227  O O   . SER A 41  ? 0.812 1.617 0.582 0.064  -0.181 -0.003 359 SER AAA O   
228  C CB  . SER A 41  ? 0.929 1.775 0.761 0.098  -0.149 0.116  359 SER AAA CB  
229  O OG  . SER A 41  ? 0.994 1.862 0.835 0.120  -0.131 0.165  359 SER AAA OG  
230  N N   . ASN A 42  ? 0.936 1.828 0.642 0.099  -0.177 0.038  360 ASN AAA N   
231  C CA  . ASN A 42  ? 0.997 1.937 0.662 0.093  -0.207 -0.003 360 ASN AAA CA  
232  C C   . ASN A 42  ? 0.974 1.862 0.632 0.076  -0.210 -0.062 360 ASN AAA C   
233  O O   . ASN A 42  ? 0.977 1.858 0.657 0.055  -0.233 -0.098 360 ASN AAA O   
234  C CB  . ASN A 42  ? 1.003 1.995 0.691 0.084  -0.238 0.002  360 ASN AAA CB  
235  C CG  . ASN A 42  ? 1.068 2.132 0.747 0.105  -0.239 0.056  360 ASN AAA CG  
236  O OD1 . ASN A 42  ? 1.115 2.168 0.821 0.119  -0.214 0.106  360 ASN AAA OD1 
237  N ND2 . ASN A 42  ? 1.127 2.267 0.774 0.108  -0.268 0.046  360 ASN AAA ND2 
238  N N   . CYS A 43  ? 0.963 1.816 0.593 0.085  -0.186 -0.070 361 CYS AAA N   
239  C CA  . CYS A 43  ? 0.994 1.783 0.632 0.071  -0.179 -0.112 361 CYS AAA CA  
240  C C   . CYS A 43  ? 0.982 1.761 0.575 0.088  -0.157 -0.120 361 CYS AAA C   
241  O O   . CYS A 43  ? 0.978 1.784 0.547 0.110  -0.140 -0.079 361 CYS AAA O   
242  C CB  . CYS A 43  ? 1.022 1.756 0.718 0.060  -0.165 -0.091 361 CYS AAA CB  
243  S SG  . CYS A 43  ? 1.094 1.753 0.812 0.043  -0.154 -0.130 361 CYS AAA SG  
244  N N   . VAL A 44  ? 0.976 1.713 0.564 0.077  -0.156 -0.170 362 VAL AAA N   
245  C CA  . VAL A 44  ? 1.019 1.727 0.579 0.088  -0.132 -0.182 362 VAL AAA CA  
246  C C   . VAL A 44  ? 1.006 1.640 0.610 0.078  -0.110 -0.172 362 VAL AAA C   
247  O O   . VAL A 44  ? 1.016 1.617 0.662 0.058  -0.121 -0.193 362 VAL AAA O   
248  C CB  . VAL A 44  ? 1.069 1.784 0.597 0.085  -0.144 -0.245 362 VAL AAA CB  
249  C CG1 . VAL A 44  ? 1.072 1.758 0.574 0.098  -0.117 -0.257 362 VAL AAA CG1 
250  C CG2 . VAL A 44  ? 1.137 1.932 0.618 0.094  -0.169 -0.260 362 VAL AAA CG2 
251  N N   . ALA A 45  ? 0.985 1.599 0.583 0.093  -0.082 -0.141 363 ALA AAA N   
252  C CA  . ALA A 45  ? 0.970 1.523 0.606 0.086  -0.062 -0.128 363 ALA AAA CA  
253  C C   . ALA A 45  ? 0.996 1.516 0.616 0.090  -0.045 -0.153 363 ALA AAA C   
254  O O   . ALA A 45  ? 1.023 1.560 0.607 0.109  -0.029 -0.141 363 ALA AAA O   
255  C CB  . ALA A 45  ? 0.941 1.495 0.592 0.098  -0.045 -0.075 363 ALA AAA CB  
256  N N   . ASP A 46  ? 1.000 1.475 0.651 0.073  -0.046 -0.182 364 ASP AAA N   
257  C CA  . ASP A 46  ? 1.069 1.504 0.721 0.075  -0.026 -0.199 364 ASP AAA CA  
258  C C   . ASP A 46  ? 1.008 1.404 0.693 0.074  -0.007 -0.164 364 ASP AAA C   
259  O O   . ASP A 46  ? 1.067 1.432 0.795 0.058  -0.010 -0.166 364 ASP AAA O   
260  C CB  . ASP A 46  ? 1.120 1.531 0.794 0.059  -0.038 -0.249 364 ASP AAA CB  
261  C CG  . ASP A 46  ? 1.201 1.581 0.869 0.065  -0.019 -0.272 364 ASP AAA CG  
262  O OD1 . ASP A 46  ? 1.246 1.625 0.891 0.082  0.003  -0.249 364 ASP AAA OD1 
263  O OD2 . ASP A 46  ? 1.223 1.582 0.916 0.053  -0.026 -0.313 364 ASP AAA OD2 
264  N N   . TYR A 47  ? 0.942 1.345 0.612 0.091  0.011  -0.130 365 TYR AAA N   
265  C CA  . TYR A 47  ? 0.880 1.251 0.581 0.091  0.029  -0.098 365 TYR AAA CA  
266  C C   . TYR A 47  ? 0.875 1.207 0.585 0.089  0.045  -0.113 365 TYR AAA C   
267  O O   . TYR A 47  ? 0.826 1.125 0.571 0.080  0.051  -0.103 365 TYR AAA O   
268  C CB  . TYR A 47  ? 0.850 1.243 0.540 0.109  0.042  -0.059 365 TYR AAA CB  
269  C CG  . TYR A 47  ? 0.844 1.276 0.532 0.114  0.030  -0.037 365 TYR AAA CG  
270  C CD1 . TYR A 47  ? 0.805 1.230 0.530 0.106  0.025  -0.019 365 TYR AAA CD1 
271  C CD2 . TYR A 47  ? 0.904 1.386 0.553 0.128  0.025  -0.033 365 TYR AAA CD2 
272  C CE1 . TYR A 47  ? 0.824 1.285 0.552 0.111  0.015  0.003  365 TYR AAA CE1 
273  C CE2 . TYR A 47  ? 0.875 1.398 0.526 0.133  0.014  -0.008 365 TYR AAA CE2 
274  C CZ  . TYR A 47  ? 0.860 1.371 0.554 0.124  0.009  0.010  365 TYR AAA CZ  
275  O OH  . TYR A 47  ? 0.853 1.404 0.555 0.130  -0.000 0.036  365 TYR AAA OH  
276  N N   . SER A 48  ? 0.901 1.239 0.580 0.099  0.051  -0.137 366 SER AAA N   
277  C CA  . SER A 48  ? 0.947 1.253 0.633 0.100  0.068  -0.154 366 SER AAA CA  
278  C C   . SER A 48  ? 0.920 1.186 0.653 0.080  0.063  -0.169 366 SER AAA C   
279  O O   . SER A 48  ? 0.974 1.210 0.731 0.080  0.079  -0.160 366 SER AAA O   
280  C CB  . SER A 48  ? 1.034 1.359 0.677 0.112  0.070  -0.189 366 SER AAA CB  
281  O OG  . SER A 48  ? 1.059 1.350 0.723 0.104  0.074  -0.225 366 SER AAA OG  
282  N N   . VAL A 49  ? 0.940 1.210 0.691 0.065  0.043  -0.189 367 VAL AAA N   
283  C CA  . VAL A 49  ? 0.930 1.168 0.733 0.046  0.039  -0.199 367 VAL AAA CA  
284  C C   . VAL A 49  ? 0.845 1.072 0.677 0.041  0.044  -0.161 367 VAL AAA C   
285  O O   . VAL A 49  ? 0.873 1.077 0.748 0.030  0.047  -0.158 367 VAL AAA O   
286  C CB  . VAL A 49  ? 1.020 1.269 0.840 0.032  0.015  -0.228 367 VAL AAA CB  
287  C CG1 . VAL A 49  ? 0.990 1.264 0.813 0.026  -0.000 -0.206 367 VAL AAA CG1 
288  C CG2 . VAL A 49  ? 1.037 1.254 0.916 0.016  0.015  -0.243 367 VAL AAA CG2 
289  N N   . LEU A 50  ? 0.790 1.036 0.605 0.049  0.045  -0.133 368 LEU AAA N   
290  C CA  . LEU A 50  ? 0.735 0.974 0.575 0.046  0.049  -0.102 368 LEU AAA CA  
291  C C   . LEU A 50  ? 0.735 0.957 0.577 0.056  0.069  -0.085 368 LEU AAA C   
292  O O   . LEU A 50  ? 0.637 0.840 0.508 0.049  0.075  -0.075 368 LEU AAA O   
293  C CB  . LEU A 50  ? 0.714 0.980 0.544 0.051  0.041  -0.083 368 LEU AAA CB  
294  C CG  . LEU A 50  ? 0.790 1.079 0.619 0.043  0.021  -0.096 368 LEU AAA CG  
295  C CD1 . LEU A 50  ? 0.809 1.127 0.626 0.051  0.016  -0.075 368 LEU AAA CD1 
296  C CD2 . LEU A 50  ? 0.787 1.066 0.656 0.027  0.014  -0.097 368 LEU AAA CD2 
297  N N   . TYR A 51  ? 0.713 0.944 0.524 0.071  0.079  -0.080 369 TYR AAA N   
298  C CA  . TYR A 51  ? 0.667 0.887 0.482 0.082  0.097  -0.060 369 TYR AAA CA  
299  C C   . TYR A 51  ? 0.659 0.853 0.485 0.080  0.110  -0.074 369 TYR AAA C   
300  O O   . TYR A 51  ? 0.646 0.823 0.496 0.080  0.120  -0.057 369 TYR AAA O   
301  C CB  . TYR A 51  ? 0.674 0.916 0.458 0.100  0.106  -0.045 369 TYR AAA CB  
302  C CG  . TYR A 51  ? 0.648 0.878 0.449 0.109  0.125  -0.020 369 TYR AAA CG  
303  C CD1 . TYR A 51  ? 0.608 0.830 0.443 0.104  0.124  0.001  369 TYR AAA CD1 
304  C CD2 . TYR A 51  ? 0.668 0.896 0.454 0.122  0.142  -0.021 369 TYR AAA CD2 
305  C CE1 . TYR A 51  ? 0.604 0.814 0.461 0.110  0.138  0.022  369 TYR AAA CE1 
306  C CE2 . TYR A 51  ? 0.671 0.888 0.480 0.129  0.159  0.005  369 TYR AAA CE2 
307  C CZ  . TYR A 51  ? 0.624 0.832 0.471 0.123  0.156  0.026  369 TYR AAA CZ  
308  O OH  . TYR A 51  ? 0.641 0.839 0.516 0.128  0.169  0.049  369 TYR AAA OH  
309  N N   . ASN A 52  ? 0.697 0.889 0.508 0.080  0.107  -0.104 370 ASN AAA N   
310  C CA  . ASN A 52  ? 0.717 0.885 0.541 0.081  0.121  -0.122 370 ASN AAA CA  
311  C C   . ASN A 52  ? 0.676 0.823 0.547 0.063  0.114  -0.130 370 ASN AAA C   
312  O O   . ASN A 52  ? 0.713 0.850 0.596 0.057  0.110  -0.160 370 ASN AAA O   
313  C CB  . ASN A 52  ? 0.781 0.960 0.568 0.092  0.124  -0.155 370 ASN AAA CB  
314  C CG  . ASN A 52  ? 0.840 1.044 0.586 0.113  0.136  -0.137 370 ASN AAA CG  
315  O OD1 . ASN A 52  ? 0.959 1.194 0.664 0.122  0.131  -0.151 370 ASN AAA OD1 
316  N ND2 . ASN A 52  ? 0.836 1.032 0.598 0.120  0.152  -0.103 370 ASN AAA ND2 
317  N N   . SER A 53  ? 0.636 0.778 0.535 0.056  0.114  -0.102 371 SER AAA N   
318  C CA  . SER A 53  ? 0.645 0.777 0.589 0.042  0.108  -0.097 371 SER AAA CA  
319  C C   . SER A 53  ? 0.642 0.771 0.608 0.042  0.116  -0.065 371 SER AAA C   
320  O O   . SER A 53  ? 0.619 0.753 0.566 0.051  0.122  -0.050 371 SER AAA O   
321  C CB  . SER A 53  ? 0.626 0.776 0.573 0.031  0.089  -0.100 371 SER AAA CB  
322  O OG  . SER A 53  ? 0.573 0.737 0.516 0.032  0.086  -0.075 371 SER AAA OG  
323  N N   . ALA A 54  ? 0.623 0.749 0.629 0.031  0.115  -0.055 372 ALA AAA N   
324  C CA  . ALA A 54  ? 0.585 0.716 0.615 0.030  0.120  -0.026 372 ALA AAA CA  
325  C C   . ALA A 54  ? 0.548 0.703 0.583 0.023  0.106  -0.015 372 ALA AAA C   
326  O O   . ALA A 54  ? 0.550 0.717 0.609 0.020  0.107  0.006  372 ALA AAA O   
327  C CB  . ALA A 54  ? 0.580 0.697 0.654 0.026  0.130  -0.019 372 ALA AAA CB  
328  N N   . SER A 55  ? 0.555 0.721 0.569 0.021  0.095  -0.027 373 SER AAA N   
329  C CA  . SER A 55  ? 0.550 0.739 0.572 0.015  0.083  -0.019 373 SER AAA CA  
330  C C   . SER A 55  ? 0.546 0.753 0.553 0.020  0.080  -0.007 373 SER AAA C   
331  O O   . SER A 55  ? 0.547 0.775 0.566 0.016  0.075  0.003  373 SER AAA O   
332  C CB  . SER A 55  ? 0.560 0.754 0.570 0.011  0.071  -0.037 373 SER AAA CB  
333  O OG  . SER A 55  ? 0.579 0.757 0.607 0.005  0.072  -0.055 373 SER AAA OG  
334  N N   . PHE A 56  ? 0.564 0.764 0.548 0.029  0.084  -0.008 374 PHE AAA N   
335  C CA  . PHE A 56  ? 0.515 0.730 0.489 0.034  0.080  -0.003 374 PHE AAA CA  
336  C C   . PHE A 56  ? 0.524 0.735 0.507 0.039  0.086  0.007  374 PHE AAA C   
337  O O   . PHE A 56  ? 0.519 0.714 0.498 0.045  0.096  0.009  374 PHE AAA O   
338  C CB  . PHE A 56  ? 0.524 0.740 0.475 0.040  0.076  -0.011 374 PHE AAA CB  
339  C CG  . PHE A 56  ? 0.519 0.742 0.463 0.034  0.067  -0.023 374 PHE AAA CG  
340  C CD1 . PHE A 56  ? 0.493 0.732 0.449 0.027  0.058  -0.022 374 PHE AAA CD1 
341  C CD2 . PHE A 56  ? 0.556 0.771 0.481 0.036  0.067  -0.037 374 PHE AAA CD2 
342  C CE1 . PHE A 56  ? 0.529 0.775 0.486 0.021  0.048  -0.032 374 PHE AAA CE1 
343  C CE2 . PHE A 56  ? 0.581 0.804 0.502 0.030  0.056  -0.052 374 PHE AAA CE2 
344  C CZ  . PHE A 56  ? 0.533 0.771 0.473 0.021  0.046  -0.048 374 PHE AAA CZ  
345  N N   . SER A 57  ? 0.504 0.732 0.500 0.037  0.082  0.012  375 SER AAA N   
346  C CA  . SER A 57  ? 0.482 0.712 0.492 0.040  0.084  0.018  375 SER AAA CA  
347  C C   . SER A 57  ? 0.509 0.735 0.519 0.048  0.083  0.014  375 SER AAA C   
348  O O   . SER A 57  ? 0.528 0.747 0.554 0.052  0.088  0.020  375 SER AAA O   
349  C CB  . SER A 57  ? 0.462 0.720 0.485 0.036  0.077  0.020  375 SER AAA CB  
350  O OG  . SER A 57  ? 0.430 0.707 0.445 0.036  0.069  0.012  375 SER AAA OG  
351  N N   . THR A 58  ? 0.482 0.714 0.481 0.050  0.079  0.009  376 THR AAA N   
352  C CA  . THR A 58  ? 0.474 0.703 0.478 0.058  0.081  0.011  376 THR AAA CA  
353  C C   . THR A 58  ? 0.507 0.732 0.486 0.062  0.083  0.014  376 THR AAA C   
354  O O   . THR A 58  ? 0.510 0.744 0.476 0.058  0.076  0.006  376 THR AAA O   
355  C CB  . THR A 58  ? 0.485 0.728 0.503 0.060  0.074  0.003  376 THR AAA CB  
356  O OG1 . THR A 58  ? 0.462 0.712 0.500 0.057  0.071  -0.003 376 THR AAA OG1 
357  C CG2 . THR A 58  ? 0.487 0.727 0.520 0.069  0.077  0.010  376 THR AAA CG2 
358  N N   . PHE A 59  ? 0.504 0.722 0.481 0.071  0.092  0.024  377 PHE AAA N   
359  C CA  . PHE A 59  ? 0.521 0.745 0.473 0.079  0.095  0.029  377 PHE AAA CA  
360  C C   . PHE A 59  ? 0.558 0.783 0.526 0.092  0.105  0.049  377 PHE AAA C   
361  O O   . PHE A 59  ? 0.551 0.769 0.516 0.098  0.117  0.058  377 PHE AAA O   
362  C CB  . PHE A 59  ? 0.553 0.770 0.478 0.077  0.098  0.019  377 PHE AAA CB  
363  C CG  . PHE A 59  ? 0.612 0.843 0.506 0.081  0.093  0.012  377 PHE AAA CG  
364  C CD1 . PHE A 59  ? 0.635 0.883 0.518 0.094  0.097  0.027  377 PHE AAA CD1 
365  C CD2 . PHE A 59  ? 0.643 0.874 0.524 0.072  0.084  -0.007 377 PHE AAA CD2 
366  C CE1 . PHE A 59  ? 0.652 0.921 0.505 0.097  0.090  0.020  377 PHE AAA CE1 
367  C CE2 . PHE A 59  ? 0.665 0.913 0.520 0.074  0.076  -0.017 377 PHE AAA CE2 
368  C CZ  . PHE A 59  ? 0.670 0.939 0.507 0.087  0.079  -0.004 377 PHE AAA CZ  
369  N N   . LYS A 60  ? 0.573 0.808 0.565 0.095  0.102  0.057  378 LYS AAA N   
370  C CA  . LYS A 60  ? 0.593 0.831 0.618 0.107  0.111  0.080  378 LYS AAA CA  
371  C C   . LYS A 60  ? 0.574 0.834 0.590 0.116  0.111  0.095  378 LYS AAA C   
372  O O   . LYS A 60  ? 0.610 0.880 0.626 0.113  0.101  0.088  378 LYS AAA O   
373  C CB  . LYS A 60  ? 0.635 0.865 0.709 0.103  0.108  0.075  378 LYS AAA CB  
374  C CG  . LYS A 60  ? 0.724 0.940 0.811 0.095  0.106  0.063  378 LYS AAA CG  
375  C CD  . LYS A 60  ? 0.798 1.012 0.929 0.090  0.099  0.050  378 LYS AAA CD  
376  C CE  . LYS A 60  ? 0.858 1.066 0.995 0.082  0.096  0.039  378 LYS AAA CE  
377  N NZ  . LYS A 60  ? 0.969 1.177 1.155 0.080  0.089  0.026  378 LYS AAA NZ  
378  N N   . CYS A 61  ? 0.572 0.843 0.581 0.130  0.123  0.119  379 CYS AAA N   
379  C CA  . CYS A 61  ? 0.610 0.912 0.613 0.142  0.125  0.142  379 CYS AAA CA  
380  C C   . CYS A 61  ? 0.570 0.877 0.630 0.154  0.137  0.176  379 CYS AAA C   
381  O O   . CYS A 61  ? 0.564 0.855 0.655 0.156  0.147  0.185  379 CYS AAA O   
382  C CB  . CYS A 61  ? 0.645 0.966 0.593 0.150  0.129  0.143  379 CYS AAA CB  
383  S SG  . CYS A 61  ? 0.642 0.954 0.540 0.135  0.114  0.101  379 CYS AAA SG  
384  N N   . TYR A 62  ? 0.549 0.878 0.629 0.162  0.136  0.196  380 TYR AAA N   
385  C CA  . TYR A 62  ? 0.548 0.886 0.695 0.174  0.148  0.233  380 TYR AAA CA  
386  C C   . TYR A 62  ? 0.597 0.979 0.727 0.191  0.154  0.270  380 TYR AAA C   
387  O O   . TYR A 62  ? 0.569 0.973 0.665 0.190  0.142  0.263  380 TYR AAA O   
388  C CB  . TYR A 62  ? 0.550 0.873 0.753 0.167  0.141  0.221  380 TYR AAA CB  
389  C CG  . TYR A 62  ? 0.562 0.852 0.772 0.151  0.132  0.182  380 TYR AAA CG  
390  C CD1 . TYR A 62  ? 0.539 0.823 0.700 0.139  0.119  0.148  380 TYR AAA CD1 
391  C CD2 . TYR A 62  ? 0.541 0.809 0.809 0.150  0.137  0.181  380 TYR AAA CD2 
392  C CE1 . TYR A 62  ? 0.557 0.819 0.722 0.126  0.112  0.117  380 TYR AAA CE1 
393  C CE2 . TYR A 62  ? 0.546 0.792 0.816 0.136  0.128  0.145  380 TYR AAA CE2 
394  C CZ  . TYR A 62  ? 0.543 0.788 0.759 0.125  0.116  0.115  380 TYR AAA CZ  
395  O OH  . TYR A 62  ? 0.535 0.767 0.753 0.114  0.108  0.085  380 TYR AAA OH  
396  N N   . GLY A 63  ? 0.612 1.010 0.765 0.207  0.171  0.310  381 GLY AAA N   
397  C CA  . GLY A 63  ? 0.658 1.108 0.802 0.227  0.180  0.354  381 GLY AAA CA  
398  C C   . GLY A 63  ? 0.701 1.180 0.757 0.232  0.177  0.343  381 GLY AAA C   
399  O O   . GLY A 63  ? 0.787 1.316 0.820 0.248  0.181  0.374  381 GLY AAA O   
400  N N   . VAL A 64  ? 0.741 1.190 0.751 0.219  0.171  0.300  382 VAL AAA N   
401  C CA  . VAL A 64  ? 0.755 1.222 0.683 0.220  0.166  0.274  382 VAL AAA CA  
402  C C   . VAL A 64  ? 0.778 1.204 0.690 0.209  0.169  0.241  382 VAL AAA C   
403  O O   . VAL A 64  ? 0.770 1.156 0.724 0.196  0.167  0.230  382 VAL AAA O   
404  C CB  . VAL A 64  ? 0.782 1.261 0.677 0.209  0.143  0.247  382 VAL AAA CB  
405  C CG1 . VAL A 64  ? 0.753 1.187 0.645 0.186  0.129  0.201  382 VAL AAA CG1 
406  C CG2 . VAL A 64  ? 0.837 1.361 0.662 0.218  0.137  0.239  382 VAL AAA CG2 
407  N N   . SER A 65  ? 0.856 1.294 0.711 0.215  0.173  0.225  383 SER AAA N   
408  C CA  . SER A 65  ? 0.831 1.233 0.673 0.208  0.179  0.198  383 SER AAA CA  
409  C C   . SER A 65  ? 0.838 1.227 0.635 0.193  0.162  0.148  383 SER AAA C   
410  O O   . SER A 65  ? 0.868 1.288 0.619 0.197  0.153  0.135  383 SER AAA O   
411  C CB  . SER A 65  ? 0.882 1.305 0.704 0.227  0.201  0.217  383 SER AAA CB  
412  O OG  . SER A 65  ? 0.951 1.338 0.769 0.220  0.207  0.193  383 SER AAA OG  
413  N N   . PRO A 66  ? 0.795 1.140 0.606 0.176  0.158  0.122  384 PRO AAA N   
414  C CA  . PRO A 66  ? 0.834 1.165 0.619 0.160  0.141  0.080  384 PRO AAA CA  
415  C C   . PRO A 66  ? 0.886 1.226 0.623 0.166  0.145  0.053  384 PRO AAA C   
416  O O   . PRO A 66  ? 0.920 1.263 0.633 0.156  0.129  0.021  384 PRO AAA O   
417  C CB  . PRO A 66  ? 0.782 1.071 0.604 0.144  0.141  0.070  384 PRO AAA CB  
418  C CG  . PRO A 66  ? 0.771 1.051 0.623 0.154  0.160  0.098  384 PRO AAA CG  
419  C CD  . PRO A 66  ? 0.763 1.076 0.623 0.171  0.167  0.133  384 PRO AAA CD  
420  N N   . THR A 67  ? 0.918 1.262 0.646 0.181  0.166  0.064  385 THR AAA N   
421  C CA  . THR A 67  ? 1.025 1.381 0.707 0.191  0.173  0.039  385 THR AAA CA  
422  C C   . THR A 67  ? 1.055 1.465 0.688 0.205  0.166  0.038  385 THR AAA C   
423  O O   . THR A 67  ? 1.044 1.468 0.636 0.207  0.162  0.000  385 THR AAA O   
424  C CB  . THR A 67  ? 1.030 1.380 0.718 0.206  0.200  0.057  385 THR AAA CB  
425  O OG1 . THR A 67  ? 1.107 1.482 0.815 0.221  0.212  0.106  385 THR AAA OG1 
426  C CG2 . THR A 67  ? 1.042 1.343 0.772 0.193  0.206  0.053  385 THR AAA CG2 
427  N N   . LYS A 68  ? 1.054 1.497 0.697 0.214  0.165  0.077  386 LYS AAA N   
428  C CA  . LYS A 68  ? 1.129 1.635 0.729 0.231  0.162  0.089  386 LYS AAA CA  
429  C C   . LYS A 68  ? 1.032 1.555 0.625 0.219  0.134  0.073  386 LYS AAA C   
430  O O   . LYS A 68  ? 1.073 1.652 0.629 0.231  0.127  0.080  386 LYS AAA O   
431  C CB  . LYS A 68  ? 1.211 1.750 0.835 0.252  0.181  0.150  386 LYS AAA CB  
432  C CG  . LYS A 68  ? 1.342 1.882 0.967 0.270  0.210  0.170  386 LYS AAA CG  
433  C CD  . LYS A 68  ? 1.426 2.015 1.067 0.295  0.229  0.232  386 LYS AAA CD  
434  C CE  . LYS A 68  ? 1.486 2.066 1.151 0.309  0.258  0.260  386 LYS AAA CE  
435  N NZ  . LYS A 68  ? 1.523 2.044 1.260 0.293  0.261  0.270  386 LYS AAA NZ  
436  N N   . LEU A 69  ? 0.986 1.468 0.611 0.196  0.119  0.054  387 LEU AAA N   
437  C CA  . LEU A 69  ? 0.934 1.430 0.567 0.184  0.096  0.050  387 LEU AAA CA  
438  C C   . LEU A 69  ? 0.975 1.510 0.557 0.184  0.077  0.017  387 LEU AAA C   
439  O O   . LEU A 69  ? 0.996 1.570 0.574 0.185  0.062  0.029  387 LEU AAA O   
440  C CB  . LEU A 69  ? 0.899 1.344 0.571 0.160  0.087  0.033  387 LEU AAA CB  
441  C CG  . LEU A 69  ? 0.884 1.304 0.609 0.159  0.097  0.065  387 LEU AAA CG  
442  C CD1 . LEU A 69  ? 0.882 1.256 0.636 0.138  0.090  0.043  387 LEU AAA CD1 
443  C CD2 . LEU A 69  ? 0.883 1.332 0.629 0.164  0.091  0.097  387 LEU AAA CD2 
444  N N   . ASN A 70  ? 1.042 1.569 0.591 0.184  0.078  -0.025 388 ASN AAA N   
445  C CA  . ASN A 70  ? 1.087 1.649 0.591 0.183  0.058  -0.068 388 ASN AAA CA  
446  C C   . ASN A 70  ? 1.163 1.796 0.616 0.209  0.063  -0.050 388 ASN AAA C   
447  O O   . ASN A 70  ? 1.217 1.890 0.626 0.211  0.046  -0.086 388 ASN AAA O   
448  C CB  . ASN A 70  ? 1.098 1.624 0.595 0.173  0.059  -0.122 388 ASN AAA CB  
449  C CG  . ASN A 70  ? 1.091 1.567 0.633 0.146  0.044  -0.146 388 ASN AAA CG  
450  O OD1 . ASN A 70  ? 1.026 1.491 0.603 0.135  0.037  -0.121 388 ASN AAA OD1 
451  N ND2 . ASN A 70  ? 1.151 1.599 0.696 0.136  0.042  -0.193 388 ASN AAA ND2 
452  N N   . ASP A 71  ? 1.165 1.817 0.625 0.228  0.086  0.003  389 ASP AAA N   
453  C CA  . ASP A 71  ? 1.235 1.961 0.650 0.256  0.095  0.032  389 ASP AAA CA  
454  C C   . ASP A 71  ? 1.159 1.928 0.595 0.261  0.086  0.081  389 ASP AAA C   
455  O O   . ASP A 71  ? 1.197 2.034 0.605 0.284  0.092  0.116  389 ASP AAA O   
456  C CB  . ASP A 71  ? 1.275 2.001 0.693 0.278  0.129  0.066  389 ASP AAA CB  
457  C CG  . ASP A 71  ? 1.317 2.006 0.717 0.277  0.142  0.023  389 ASP AAA CG  
458  O OD1 . ASP A 71  ? 1.411 2.125 0.759 0.281  0.133  -0.025 389 ASP AAA OD1 
459  O OD2 . ASP A 71  ? 1.279 1.915 0.720 0.273  0.160  0.037  389 ASP AAA OD2 
460  N N   . LEU A 72  ? 1.104 1.836 0.589 0.241  0.072  0.086  390 LEU AAA N   
461  C CA  . LEU A 72  ? 1.077 1.835 0.602 0.245  0.071  0.140  390 LEU AAA CA  
462  C C   . LEU A 72  ? 1.066 1.851 0.586 0.233  0.041  0.125  390 LEU AAA C   
463  O O   . LEU A 72  ? 1.022 1.782 0.531 0.213  0.021  0.073  390 LEU AAA O   
464  C CB  . LEU A 72  ? 1.033 1.727 0.626 0.235  0.084  0.162  390 LEU AAA CB  
465  C CG  . LEU A 72  ? 1.069 1.744 0.682 0.248  0.114  0.190  390 LEU AAA CG  
466  C CD1 . LEU A 72  ? 1.015 1.627 0.694 0.234  0.121  0.198  390 LEU AAA CD1 
467  C CD2 . LEU A 72  ? 1.121 1.858 0.738 0.276  0.131  0.250  390 LEU AAA CD2 
468  N N   . CYS A 73  ? 1.079 1.918 0.613 0.247  0.040  0.175  391 CYS AAA N   
469  C CA  . CYS A 73  ? 1.126 2.007 0.661 0.240  0.013  0.176  391 CYS AAA CA  
470  C C   . CYS A 73  ? 1.053 1.920 0.659 0.239  0.020  0.225  391 CYS AAA C   
471  O O   . CYS A 73  ? 1.005 1.877 0.644 0.256  0.043  0.276  391 CYS AAA O   
472  C CB  . CYS A 73  ? 1.291 2.264 0.771 0.261  0.005  0.190  391 CYS AAA CB  
473  S SG  . CYS A 73  ? 1.405 2.413 0.842 0.244  -0.037 0.131  391 CYS AAA SG  
474  N N   . PHE A 74  ? 1.050 1.898 0.683 0.220  0.000  0.209  392 PHE AAA N   
475  C CA  . PHE A 74  ? 0.969 1.799 0.672 0.217  0.005  0.246  392 PHE AAA CA  
476  C C   . PHE A 74  ? 0.948 1.827 0.656 0.213  -0.019 0.253  392 PHE AAA C   
477  O O   . PHE A 74  ? 0.892 1.791 0.558 0.203  -0.044 0.213  392 PHE AAA O   
478  C CB  . PHE A 74  ? 0.927 1.677 0.668 0.198  0.011  0.219  392 PHE AAA CB  
479  C CG  . PHE A 74  ? 0.922 1.631 0.663 0.203  0.034  0.217  392 PHE AAA CG  
480  C CD1 . PHE A 74  ? 0.924 1.638 0.703 0.220  0.057  0.265  392 PHE AAA CD1 
481  C CD2 . PHE A 74  ? 0.975 1.645 0.685 0.190  0.032  0.170  392 PHE AAA CD2 
482  C CE1 . PHE A 74  ? 0.932 1.611 0.715 0.224  0.077  0.265  392 PHE AAA CE1 
483  C CE2 . PHE A 74  ? 1.021 1.657 0.735 0.195  0.053  0.171  392 PHE AAA CE2 
484  C CZ  . PHE A 74  ? 0.984 1.625 0.733 0.212  0.075  0.218  392 PHE AAA CZ  
485  N N   . THR A 75  ? 0.953 1.849 0.716 0.223  -0.011 0.304  393 THR AAA N   
486  C CA  . THR A 75  ? 0.947 1.884 0.735 0.220  -0.030 0.322  393 THR AAA CA  
487  C C   . THR A 75  ? 0.906 1.795 0.704 0.195  -0.047 0.274  393 THR AAA C   
488  O O   . THR A 75  ? 0.923 1.845 0.697 0.185  -0.073 0.253  393 THR AAA O   
489  C CB  . THR A 75  ? 0.945 1.892 0.805 0.235  -0.012 0.384  393 THR AAA CB  
490  O OG1 . THR A 75  ? 0.912 1.899 0.768 0.259  0.007  0.431  393 THR AAA OG1 
491  C CG2 . THR A 75  ? 1.002 1.995 0.891 0.235  -0.029 0.408  393 THR AAA CG2 
492  N N   . ASN A 76  ? 0.838 1.657 0.670 0.184  -0.033 0.259  394 ASN AAA N   
493  C CA  . ASN A 76  ? 0.861 1.634 0.708 0.161  -0.044 0.219  394 ASN AAA CA  
494  C C   . ASN A 76  ? 0.825 1.528 0.683 0.154  -0.026 0.197  394 ASN AAA C   
495  O O   . ASN A 76  ? 0.803 1.493 0.669 0.166  -0.006 0.216  394 ASN AAA O   
496  C CB  . ASN A 76  ? 0.861 1.650 0.758 0.159  -0.051 0.241  394 ASN AAA CB  
497  C CG  . ASN A 76  ? 0.877 1.649 0.840 0.170  -0.029 0.279  394 ASN AAA CG  
498  O OD1 . ASN A 76  ? 0.760 1.557 0.741 0.189  -0.015 0.322  394 ASN AAA OD1 
499  N ND2 . ASN A 76  ? 0.782 1.514 0.785 0.160  -0.026 0.265  394 ASN AAA ND2 
500  N N   . VAL A 77  ? 0.799 1.465 0.658 0.135  -0.035 0.158  395 VAL AAA N   
501  C CA  . VAL A 77  ? 0.795 1.400 0.667 0.126  -0.021 0.137  395 VAL AAA CA  
502  C C   . VAL A 77  ? 0.770 1.353 0.681 0.113  -0.025 0.127  395 VAL AAA C   
503  O O   . VAL A 77  ? 0.750 1.342 0.652 0.100  -0.043 0.106  395 VAL AAA O   
504  C CB  . VAL A 77  ? 0.841 1.425 0.670 0.116  -0.026 0.098  395 VAL AAA CB  
505  C CG1 . VAL A 77  ? 0.813 1.341 0.660 0.106  -0.015 0.079  395 VAL AAA CG1 
506  C CG2 . VAL A 77  ? 0.879 1.485 0.668 0.130  -0.019 0.104  395 VAL AAA CG2 
507  N N   . TYR A 78  ? 0.755 1.313 0.709 0.118  -0.009 0.141  396 TYR AAA N   
508  C CA  . TYR A 78  ? 0.697 1.229 0.682 0.108  -0.008 0.127  396 TYR AAA CA  
509  C C   . TYR A 78  ? 0.644 1.135 0.615 0.098  -0.002 0.098  396 TYR AAA C   
510  O O   . TYR A 78  ? 0.615 1.085 0.580 0.103  0.010  0.099  396 TYR AAA O   
511  C CB  . TYR A 78  ? 0.741 1.268 0.779 0.119  0.007  0.148  396 TYR AAA CB  
512  C CG  . TYR A 78  ? 0.790 1.355 0.858 0.132  0.007  0.185  396 TYR AAA CG  
513  C CD1 . TYR A 78  ? 0.796 1.398 0.868 0.130  -0.008 0.193  396 TYR AAA CD1 
514  C CD2 . TYR A 78  ? 0.848 1.413 0.951 0.148  0.023  0.214  396 TYR AAA CD2 
515  C CE1 . TYR A 78  ? 0.856 1.495 0.961 0.143  -0.007 0.231  396 TYR AAA CE1 
516  C CE2 . TYR A 78  ? 0.805 1.407 0.945 0.162  0.026  0.253  396 TYR AAA CE2 
517  C CZ  . TYR A 78  ? 0.880 1.519 1.019 0.160  0.011  0.263  396 TYR AAA CZ  
518  O OH  . TYR A 78  ? 0.911 1.590 1.090 0.174  0.013  0.305  396 TYR AAA OH  
519  N N   . ALA A 79  ? 0.647 0.888 0.406 -0.062 -0.033 0.026  397 ALA AAA N   
520  C CA  . ALA A 79  ? 0.614 0.821 0.392 -0.074 -0.014 0.023  397 ALA AAA CA  
521  C C   . ALA A 79  ? 0.560 0.819 0.402 -0.079 -0.018 0.028  397 ALA AAA C   
522  O O   . ALA A 79  ? 0.566 0.861 0.424 -0.103 -0.033 0.021  397 ALA AAA O   
523  C CB  . ALA A 79  ? 0.656 0.818 0.388 -0.105 -0.017 0.005  397 ALA AAA CB  
524  N N   . ASP A 80  ? 0.512 0.768 0.386 -0.057 -0.003 0.041  398 ASP AAA N   
525  C CA  . ASP A 80  ? 0.483 0.770 0.403 -0.056 -0.003 0.046  398 ASP AAA CA  
526  C C   . ASP A 80  ? 0.497 0.748 0.420 -0.067 0.008  0.041  398 ASP AAA C   
527  O O   . ASP A 80  ? 0.513 0.719 0.418 -0.061 0.021  0.041  398 ASP AAA O   
528  C CB  . ASP A 80  ? 0.458 0.753 0.401 -0.028 0.004  0.060  398 ASP AAA CB  
529  C CG  . ASP A 80  ? 0.483 0.808 0.416 -0.010 -0.002 0.068  398 ASP AAA CG  
530  O OD1 . ASP A 80  ? 0.467 0.833 0.395 -0.020 -0.020 0.065  398 ASP AAA OD1 
531  O OD2 . ASP A 80  ? 0.445 0.753 0.379 0.013  0.010  0.078  398 ASP AAA OD2 
532  N N   . SER A 81  ? 0.463 0.731 0.404 -0.079 0.006  0.039  399 SER AAA N   
533  C CA  . SER A 81  ? 0.511 0.740 0.446 -0.087 0.018  0.035  399 SER AAA CA  
534  C C   . SER A 81  ? 0.461 0.706 0.420 -0.082 0.019  0.040  399 SER AAA C   
535  O O   . SER A 81  ? 0.490 0.778 0.469 -0.083 0.013  0.044  399 SER AAA O   
536  C CB  . SER A 81  ? 0.505 0.704 0.407 -0.113 0.023  0.023  399 SER AAA CB  
537  O OG  . SER A 81  ? 0.529 0.764 0.440 -0.138 0.013  0.017  399 SER AAA OG  
538  N N   . PHE A 82  ? 0.462 0.671 0.415 -0.073 0.027  0.042  400 PHE AAA N   
539  C CA  . PHE A 82  ? 0.472 0.680 0.434 -0.062 0.028  0.046  400 PHE AAA CA  
540  C C   . PHE A 82  ? 0.479 0.643 0.426 -0.052 0.032  0.047  400 PHE AAA C   
541  O O   . PHE A 82  ? 0.514 0.656 0.455 -0.051 0.037  0.047  400 PHE AAA O   
542  C CB  . PHE A 82  ? 0.420 0.650 0.399 -0.043 0.019  0.054  400 PHE AAA CB  
543  C CG  . PHE A 82  ? 0.420 0.641 0.408 -0.032 0.013  0.056  400 PHE AAA CG  
544  C CD1 . PHE A 82  ? 0.415 0.609 0.407 -0.023 0.009  0.057  400 PHE AAA CD1 
545  C CD2 . PHE A 82  ? 0.447 0.689 0.441 -0.030 0.012  0.058  400 PHE AAA CD2 
546  C CE1 . PHE A 82  ? 0.433 0.624 0.445 -0.016 0.007  0.062  400 PHE AAA CE1 
547  C CE2 . PHE A 82  ? 0.433 0.663 0.436 -0.019 0.014  0.063  400 PHE AAA CE2 
548  C CZ  . PHE A 82  ? 0.442 0.649 0.460 -0.014 0.012  0.065  400 PHE AAA CZ  
549  N N   . VAL A 83  ? 0.515 0.666 0.455 -0.042 0.032  0.050  401 VAL AAA N   
550  C CA  . VAL A 83  ? 0.456 0.570 0.380 -0.027 0.032  0.052  401 VAL AAA CA  
551  C C   . VAL A 83  ? 0.447 0.562 0.379 -0.009 0.012  0.055  401 VAL AAA C   
552  O O   . VAL A 83  ? 0.461 0.585 0.390 -0.005 0.009  0.055  401 VAL AAA O   
553  C CB  . VAL A 83  ? 0.555 0.640 0.449 -0.030 0.049  0.052  401 VAL AAA CB  
554  C CG1 . VAL A 83  ? 0.563 0.611 0.432 -0.007 0.045  0.056  401 VAL AAA CG1 
555  C CG2 . VAL A 83  ? 0.610 0.679 0.492 -0.050 0.067  0.047  401 VAL AAA CG2 
556  N N   . ILE A 84  ? 0.485 0.590 0.427 0.001  0.000  0.058  402 ILE AAA N   
557  C CA  . ILE A 84  ? 0.458 0.556 0.403 0.013  -0.024 0.058  402 ILE AAA CA  
558  C C   . ILE A 84  ? 0.490 0.571 0.430 0.026  -0.034 0.062  402 ILE AAA C   
559  O O   . ILE A 84  ? 0.472 0.542 0.402 0.028  -0.016 0.067  402 ILE AAA O   
560  C CB  . ILE A 84  ? 0.508 0.630 0.492 0.008  -0.034 0.059  402 ILE AAA CB  
561  C CG1 . ILE A 84  ? 0.444 0.582 0.461 0.004  -0.025 0.065  402 ILE AAA CG1 
562  C CG2 . ILE A 84  ? 0.451 0.587 0.431 0.003  -0.025 0.057  402 ILE AAA CG2 
563  C CD1 . ILE A 84  ? 0.438 0.595 0.495 0.002  -0.031 0.069  402 ILE AAA CD1 
564  N N   . ARG A 85  ? 0.544 0.619 0.485 0.035  -0.062 0.062  403 ARG AAA N   
565  C CA  . ARG A 85  ? 0.596 0.668 0.542 0.049  -0.082 0.067  403 ARG AAA CA  
566  C C   . ARG A 85  ? 0.526 0.635 0.535 0.046  -0.081 0.078  403 ARG AAA C   
567  O O   . ARG A 85  ? 0.525 0.656 0.570 0.032  -0.080 0.076  403 ARG AAA O   
568  C CB  . ARG A 85  ? 0.631 0.692 0.567 0.053  -0.120 0.061  403 ARG AAA CB  
569  C CG  . ARG A 85  ? 0.811 0.824 0.673 0.069  -0.125 0.056  403 ARG AAA CG  
570  C CD  . ARG A 85  ? 0.863 0.855 0.703 0.068  -0.162 0.045  403 ARG AAA CD  
571  N NE  . ARG A 85  ? 0.937 0.951 0.814 0.066  -0.202 0.046  403 ARG AAA NE  
572  C CZ  . ARG A 85  ? 0.990 1.006 0.885 0.050  -0.237 0.037  403 ARG AAA CZ  
573  N NH1 . ARG A 85  ? 1.002 1.049 0.942 0.046  -0.275 0.040  403 ARG AAA NH1 
574  N NH2 . ARG A 85  ? 1.060 1.047 0.930 0.039  -0.232 0.027  403 ARG AAA NH2 
575  N N   . GLY A 86  ? 0.577 0.690 0.595 0.061  -0.080 0.089  404 GLY AAA N   
576  C CA  . GLY A 86  ? 0.591 0.741 0.673 0.065  -0.080 0.104  404 GLY AAA CA  
577  C C   . GLY A 86  ? 0.518 0.703 0.661 0.051  -0.107 0.104  404 GLY AAA C   
578  O O   . GLY A 86  ? 0.494 0.703 0.684 0.043  -0.090 0.112  404 GLY AAA O   
579  N N   . ASP A 87  ? 0.541 0.723 0.676 0.047  -0.146 0.095  405 ASP AAA N   
580  C CA  . ASP A 87  ? 0.554 0.760 0.740 0.029  -0.177 0.091  405 ASP AAA CA  
581  C C   . ASP A 87  ? 0.481 0.680 0.674 0.010  -0.159 0.083  405 ASP AAA C   
582  O O   . ASP A 87  ? 0.439 0.655 0.681 -0.007 -0.174 0.083  405 ASP AAA O   
583  C CB  . ASP A 87  ? 0.638 0.819 0.783 0.027  -0.221 0.076  405 ASP AAA CB  
584  C CG  . ASP A 87  ? 0.752 0.953 0.909 0.041  -0.258 0.084  405 ASP AAA CG  
585  O OD1 . ASP A 87  ? 0.872 1.117 1.086 0.053  -0.248 0.104  405 ASP AAA OD1 
586  O OD2 . ASP A 87  ? 0.970 1.141 1.076 0.044  -0.295 0.071  405 ASP AAA OD2 
587  N N   . GLU A 88  ? 0.490 0.663 0.634 0.012  -0.131 0.077  406 GLU AAA N   
588  C CA  . GLU A 88  ? 0.464 0.629 0.601 -0.000 -0.116 0.070  406 GLU AAA CA  
589  C C   . GLU A 88  ? 0.397 0.581 0.564 -0.001 -0.083 0.080  406 GLU AAA C   
590  O O   . GLU A 88  ? 0.422 0.605 0.593 -0.008 -0.071 0.078  406 GLU AAA O   
591  C CB  . GLU A 88  ? 0.479 0.610 0.547 0.005  -0.109 0.060  406 GLU AAA CB  
592  C CG  . GLU A 88  ? 0.526 0.623 0.550 0.009  -0.138 0.050  406 GLU AAA CG  
593  C CD  . GLU A 88  ? 0.558 0.619 0.515 0.019  -0.125 0.044  406 GLU AAA CD  
594  O OE1 . GLU A 88  ? 0.544 0.610 0.487 0.024  -0.098 0.048  406 GLU AAA OE1 
595  O OE2 . GLU A 88  ? 0.614 0.638 0.530 0.021  -0.140 0.035  406 GLU AAA OE2 
596  N N   . VAL A 89  ? 0.408 0.603 0.588 0.008  -0.067 0.091  407 VAL AAA N   
597  C CA  . VAL A 89  ? 0.412 0.611 0.601 0.010  -0.033 0.100  407 VAL AAA CA  
598  C C   . VAL A 89  ? 0.369 0.587 0.614 0.004  -0.028 0.108  407 VAL AAA C   
599  O O   . VAL A 89  ? 0.385 0.595 0.618 0.003  -0.006 0.109  407 VAL AAA O   
600  C CB  . VAL A 89  ? 0.428 0.624 0.615 0.025  -0.015 0.112  407 VAL AAA CB  
601  C CG1 . VAL A 89  ? 0.482 0.672 0.672 0.028  0.020  0.121  407 VAL AAA CG1 
602  C CG2 . VAL A 89  ? 0.481 0.648 0.606 0.028  -0.011 0.103  407 VAL AAA CG2 
603  N N   . ARG A 90  ? 0.370 0.610 0.671 -0.001 -0.049 0.115  408 ARG AAA N   
604  C CA  . ARG A 90  ? 0.441 0.700 0.806 -0.011 -0.043 0.124  408 ARG AAA CA  
605  C C   . ARG A 90  ? 0.443 0.678 0.781 -0.023 -0.042 0.112  408 ARG AAA C   
606  O O   . ARG A 90  ? 0.463 0.700 0.835 -0.027 -0.023 0.121  408 ARG AAA O   
607  C CB  . ARG A 90  ? 0.514 0.808 0.951 -0.019 -0.073 0.133  408 ARG AAA CB  
608  C CG  . ARG A 90  ? 0.616 0.901 1.033 -0.032 -0.119 0.115  408 ARG AAA CG  
609  C CD  . ARG A 90  ? 0.681 1.009 1.173 -0.041 -0.154 0.124  408 ARG AAA CD  
610  N NE  . ARG A 90  ? 0.768 1.114 1.251 -0.021 -0.171 0.130  408 ARG AAA NE  
611  C CZ  . ARG A 90  ? 0.822 1.211 1.361 -0.004 -0.160 0.155  408 ARG AAA CZ  
612  N NH1 . ARG A 90  ? 0.773 1.169 1.290 0.018  -0.176 0.160  408 ARG AAA NH1 
613  N NH2 . ARG A 90  ? 0.773 1.193 1.385 -0.003 -0.129 0.176  408 ARG AAA NH2 
614  N N   . GLN A 91  ? 0.441 0.650 0.718 -0.024 -0.057 0.095  409 GLN AAA N   
615  C CA  . GLN A 91  ? 0.431 0.616 0.677 -0.029 -0.052 0.087  409 GLN AAA CA  
616  C C   . GLN A 91  ? 0.445 0.628 0.663 -0.017 -0.019 0.092  409 GLN AAA C   
617  O O   . GLN A 91  ? 0.380 0.547 0.578 -0.016 -0.009 0.090  409 GLN AAA O   
618  C CB  . GLN A 91  ? 0.444 0.601 0.633 -0.029 -0.073 0.071  409 GLN AAA CB  
619  C CG  . GLN A 91  ? 0.502 0.646 0.699 -0.041 -0.109 0.063  409 GLN AAA CG  
620  C CD  . GLN A 91  ? 0.533 0.635 0.658 -0.036 -0.124 0.049  409 GLN AAA CD  
621  O OE1 . GLN A 91  ? 0.498 0.578 0.581 -0.029 -0.105 0.046  409 GLN AAA OE1 
622  N NE2 . GLN A 91  ? 0.495 0.586 0.601 -0.036 -0.155 0.041  409 GLN AAA NE2 
623  N N   . ILE A 92  ? 0.386 0.579 0.594 -0.009 -0.005 0.096  410 ILE AAA N   
624  C CA  . ILE A 92  ? 0.418 0.607 0.591 -0.000 0.019  0.098  410 ILE AAA CA  
625  C C   . ILE A 92  ? 0.437 0.625 0.642 0.006  0.044  0.113  410 ILE AAA C   
626  O O   . ILE A 92  ? 0.431 0.618 0.637 0.014  0.061  0.121  410 ILE AAA O   
627  C CB  . ILE A 92  ? 0.431 0.618 0.565 0.002  0.021  0.093  410 ILE AAA CB  
628  C CG1 . ILE A 92  ? 0.460 0.645 0.570 -0.003 0.001  0.082  410 ILE AAA CG1 
629  C CG2 . ILE A 92  ? 0.415 0.600 0.512 0.005  0.036  0.091  410 ILE AAA CG2 
630  C CD1 . ILE A 92  ? 0.460 0.643 0.553 -0.003 -0.007 0.076  410 ILE AAA CD1 
631  N N   . ALA A 93  ? 0.401 0.584 0.629 0.004  0.051  0.118  411 ALA AAA N   
632  C CA  . ALA A 93  ? 0.455 0.633 0.719 0.010  0.079  0.135  411 ALA AAA CA  
633  C C   . ALA A 93  ? 0.480 0.640 0.741 0.008  0.086  0.135  411 ALA AAA C   
634  O O   . ALA A 93  ? 0.464 0.617 0.714 -0.001 0.066  0.123  411 ALA AAA O   
635  C CB  . ALA A 93  ? 0.415 0.613 0.752 0.003  0.078  0.147  411 ALA AAA CB  
636  N N   . PRO A 94  ? 0.489 0.633 0.750 0.021  0.120  0.149  412 PRO AAA N   
637  C CA  . PRO A 94  ? 0.471 0.591 0.731 0.022  0.134  0.152  412 PRO AAA CA  
638  C C   . PRO A 94  ? 0.486 0.605 0.806 -0.004 0.118  0.150  412 PRO AAA C   
639  O O   . PRO A 94  ? 0.489 0.631 0.872 -0.015 0.115  0.157  412 PRO AAA O   
640  C CB  . PRO A 94  ? 0.520 0.622 0.788 0.039  0.176  0.173  412 PRO AAA CB  
641  C CG  . PRO A 94  ? 0.560 0.670 0.801 0.054  0.183  0.176  412 PRO AAA CG  
642  C CD  . PRO A 94  ? 0.541 0.679 0.794 0.039  0.149  0.163  412 PRO AAA CD  
643  N N   . GLY A 95  ? 0.513 0.604 0.810 -0.012 0.110  0.140  413 GLY AAA N   
644  C CA  . GLY A 95  ? 0.497 0.570 0.840 -0.039 0.101  0.137  413 GLY AAA CA  
645  C C   . GLY A 95  ? 0.504 0.593 0.864 -0.062 0.054  0.121  413 GLY AAA C   
646  O O   . GLY A 95  ? 0.533 0.613 0.936 -0.089 0.039  0.116  413 GLY AAA O   
647  N N   . GLN A 96  ? 0.506 0.613 0.827 -0.051 0.033  0.112  414 GLN AAA N   
648  C CA  . GLN A 96  ? 0.528 0.646 0.853 -0.066 -0.009 0.097  414 GLN AAA CA  
649  C C   . GLN A 96  ? 0.549 0.622 0.806 -0.067 -0.026 0.081  414 GLN AAA C   
650  O O   . GLN A 96  ? 0.631 0.682 0.834 -0.049 -0.004 0.082  414 GLN AAA O   
651  C CB  . GLN A 96  ? 0.516 0.667 0.831 -0.052 -0.016 0.099  414 GLN AAA CB  
652  C CG  . GLN A 96  ? 0.477 0.662 0.850 -0.047 0.003  0.117  414 GLN AAA CG  
653  C CD  . GLN A 96  ? 0.520 0.730 0.978 -0.067 -0.011 0.125  414 GLN AAA CD  
654  O OE1 . GLN A 96  ? 0.582 0.808 1.058 -0.078 -0.048 0.118  414 GLN AAA OE1 
655  N NE2 . GLN A 96  ? 0.519 0.732 1.030 -0.070 0.019  0.141  414 GLN AAA NE2 
656  N N   . THR A 97  ? 0.628 0.685 0.887 -0.088 -0.062 0.067  415 THR AAA N   
657  C CA  . THR A 97  ? 0.707 0.713 0.892 -0.088 -0.082 0.049  415 THR AAA CA  
658  C C   . THR A 97  ? 0.715 0.736 0.879 -0.084 -0.115 0.041  415 THR AAA C   
659  O O   . THR A 97  ? 0.614 0.683 0.831 -0.086 -0.128 0.047  415 THR AAA O   
660  C CB  . THR A 97  ? 0.731 0.687 0.918 -0.116 -0.098 0.038  415 THR AAA CB  
661  O OG1 . THR A 97  ? 0.733 0.722 0.983 -0.142 -0.137 0.034  415 THR AAA OG1 
662  C CG2 . THR A 97  ? 0.798 0.735 1.012 -0.123 -0.063 0.048  415 THR AAA CG2 
663  N N   . GLY A 98  ? 0.589 0.684 0.861 -0.081 -0.011 0.052  416 GLY AAA N   
664  C CA  . GLY A 98  ? 0.557 0.662 0.799 -0.079 -0.037 0.040  416 GLY AAA CA  
665  C C   . GLY A 98  ? 0.556 0.649 0.750 -0.067 -0.034 0.046  416 GLY AAA C   
666  O O   . GLY A 98  ? 0.595 0.682 0.782 -0.059 -0.015 0.061  416 GLY AAA O   
667  N N   . LYS A 99  ? 0.510 0.601 0.673 -0.066 -0.051 0.035  417 LYS AAA N   
668  C CA  . LYS A 99  ? 0.573 0.652 0.695 -0.058 -0.048 0.037  417 LYS AAA CA  
669  C C   . LYS A 99  ? 0.480 0.572 0.593 -0.048 -0.035 0.054  417 LYS AAA C   
670  O O   . LYS A 99  ? 0.485 0.572 0.582 -0.040 -0.026 0.059  417 LYS AAA O   
671  C CB  . LYS A 99  ? 0.582 0.658 0.672 -0.056 -0.065 0.026  417 LYS AAA CB  
672  C CG  . LYS A 99  ? 0.733 0.796 0.816 -0.064 -0.080 0.007  417 LYS AAA CG  
673  C CD  . LYS A 99  ? 0.813 0.849 0.879 -0.065 -0.070 -0.001 417 LYS AAA CD  
674  C CE  . LYS A 99  ? 0.933 0.956 1.011 -0.077 -0.079 -0.023 417 LYS AAA CE  
675  N NZ  . LYS A 99  ? 1.047 1.042 1.089 -0.076 -0.077 -0.036 417 LYS AAA NZ  
676  N N   . ILE A 100 ? 0.429 0.539 0.551 -0.046 -0.037 0.060  418 ILE AAA N   
677  C CA  . ILE A 100 ? 0.425 0.550 0.534 -0.038 -0.028 0.070  418 ILE AAA CA  
678  C C   . ILE A 100 ? 0.428 0.557 0.548 -0.032 -0.012 0.084  418 ILE AAA C   
679  O O   . ILE A 100 ? 0.427 0.562 0.530 -0.023 -0.005 0.090  418 ILE AAA O   
680  C CB  . ILE A 100 ? 0.428 0.567 0.539 -0.039 -0.033 0.070  418 ILE AAA CB  
681  C CG1 . ILE A 100 ? 0.474 0.604 0.568 -0.041 -0.047 0.060  418 ILE AAA CG1 
682  C CG2 . ILE A 100 ? 0.435 0.588 0.532 -0.033 -0.023 0.075  418 ILE AAA CG2 
683  C CD1 . ILE A 100 ? 0.451 0.572 0.512 -0.038 -0.045 0.056  418 ILE AAA CD1 
684  N N   . ALA A 101 ? 0.422 0.548 0.571 -0.035 -0.004 0.090  419 ALA AAA N   
685  C CA  . ALA A 101 ? 0.472 0.595 0.630 -0.027 0.016  0.106  419 ALA AAA CA  
686  C C   . ALA A 101 ? 0.518 0.623 0.669 -0.021 0.025  0.110  419 ALA AAA C   
687  O O   . ALA A 101 ? 0.525 0.635 0.662 -0.005 0.038  0.126  419 ALA AAA O   
688  C CB  . ALA A 101 ? 0.481 0.601 0.676 -0.034 0.025  0.110  419 ALA AAA CB  
689  N N   . ASP A 102 ? 0.487 0.573 0.646 -0.031 0.019  0.097  420 ASP AAA N   
690  C CA  . ASP A 102 ? 0.478 0.539 0.634 -0.026 0.031  0.099  420 ASP AAA CA  
691  C C   . ASP A 102 ? 0.499 0.566 0.624 -0.015 0.027  0.099  420 ASP AAA C   
692  O O   . ASP A 102 ? 0.492 0.553 0.611 -0.000 0.042  0.113  420 ASP AAA O   
693  C CB  . ASP A 102 ? 0.542 0.581 0.715 -0.043 0.025  0.079  420 ASP AAA CB  
694  C CG  . ASP A 102 ? 0.593 0.627 0.807 -0.057 0.030  0.074  420 ASP AAA CG  
695  O OD1 . ASP A 102 ? 0.560 0.600 0.791 -0.052 0.046  0.091  420 ASP AAA OD1 
696  O OD2 . ASP A 102 ? 0.624 0.650 0.854 -0.072 0.019  0.052  420 ASP AAA OD2 
697  N N   . TYR A 103 ? 0.476 0.554 0.583 -0.020 0.010  0.086  421 TYR AAA N   
698  C CA  . TYR A 103 ? 0.464 0.543 0.547 -0.013 0.009  0.082  421 TYR AAA CA  
699  C C   . TYR A 103 ? 0.423 0.534 0.493 -0.008 0.003  0.084  421 TYR AAA C   
700  O O   . TYR A 103 ? 0.453 0.572 0.511 -0.001 0.005  0.082  421 TYR AAA O   
701  C CB  . TYR A 103 ? 0.478 0.537 0.549 -0.023 -0.002 0.064  421 TYR AAA CB  
702  C CG  . TYR A 103 ? 0.553 0.582 0.635 -0.031 0.003  0.055  421 TYR AAA CG  
703  C CD1 . TYR A 103 ? 0.603 0.617 0.706 -0.027 0.021  0.064  421 TYR AAA CD1 
704  C CD2 . TYR A 103 ? 0.579 0.592 0.647 -0.041 -0.010 0.035  421 TYR AAA CD2 
705  C CE1 . TYR A 103 ? 0.610 0.592 0.725 -0.037 0.028  0.052  421 TYR AAA CE1 
706  C CE2 . TYR A 103 ? 0.574 0.559 0.651 -0.050 -0.007 0.021  421 TYR AAA CE2 
707  C CZ  . TYR A 103 ? 0.608 0.577 0.711 -0.050 0.013  0.028  421 TYR AAA CZ  
708  O OH  . TYR A 103 ? 0.612 0.551 0.726 -0.061 0.018  0.011  421 TYR AAA OH  
709  N N   . ASN A 104 ? 0.412 0.540 0.485 -0.011 -0.002 0.086  422 ASN AAA N   
710  C CA  . ASN A 104 ? 0.408 0.561 0.468 -0.010 -0.007 0.081  422 ASN AAA CA  
711  C C   . ASN A 104 ? 0.409 0.589 0.470 -0.002 -0.002 0.091  422 ASN AAA C   
712  O O   . ASN A 104 ? 0.387 0.592 0.439 0.005  -0.003 0.089  422 ASN AAA O   
713  C CB  . ASN A 104 ? 0.411 0.558 0.466 -0.022 -0.016 0.070  422 ASN AAA CB  
714  C CG  . ASN A 104 ? 0.436 0.562 0.477 -0.026 -0.020 0.060  422 ASN AAA CG  
715  O OD1 . ASN A 104 ? 0.406 0.536 0.435 -0.026 -0.017 0.054  422 ASN AAA OD1 
716  N ND2 . ASN A 104 ? 0.411 0.515 0.456 -0.030 -0.025 0.057  422 ASN AAA ND2 
717  N N   . TYR A 105 ? 0.423 0.600 0.493 -0.003 0.002  0.099  423 TYR AAA N   
718  C CA  . TYR A 105 ? 0.421 0.620 0.485 0.006  0.007  0.107  423 TYR AAA CA  
719  C C   . TYR A 105 ? 0.392 0.577 0.471 0.009  0.019  0.121  423 TYR AAA C   
720  O O   . TYR A 105 ? 0.437 0.608 0.536 -0.003 0.018  0.118  423 TYR AAA O   
721  C CB  . TYR A 105 ? 0.434 0.647 0.492 -0.003 0.002  0.094  423 TYR AAA CB  
722  C CG  . TYR A 105 ? 0.421 0.657 0.467 0.004  0.007  0.098  423 TYR AAA CG  
723  C CD1 . TYR A 105 ? 0.398 0.664 0.428 0.011  0.003  0.092  423 TYR AAA CD1 
724  C CD2 . TYR A 105 ? 0.436 0.665 0.488 0.005  0.016  0.106  423 TYR AAA CD2 
725  C CE1 . TYR A 105 ? 0.462 0.750 0.476 0.019  0.006  0.093  423 TYR AAA CE1 
726  C CE2 . TYR A 105 ? 0.433 0.679 0.468 0.013  0.023  0.109  423 TYR AAA CE2 
727  C CZ  . TYR A 105 ? 0.440 0.716 0.453 0.020  0.017  0.102  423 TYR AAA CZ  
728  O OH  . TYR A 105 ? 0.472 0.767 0.462 0.029  0.022  0.102  423 TYR AAA OH  
729  N N   . LYS A 106 ? 0.414 0.604 0.486 0.025  0.031  0.138  424 LYS AAA N   
730  C CA  . LYS A 106 ? 0.427 0.597 0.513 0.030  0.050  0.156  424 LYS AAA CA  
731  C C   . LYS A 106 ? 0.464 0.650 0.530 0.045  0.060  0.169  424 LYS AAA C   
732  O O   . LYS A 106 ? 0.435 0.644 0.475 0.063  0.058  0.176  424 LYS AAA O   
733  C CB  . LYS A 106 ? 0.444 0.594 0.535 0.040  0.060  0.166  424 LYS AAA CB  
734  C CG  . LYS A 106 ? 0.478 0.600 0.583 0.047  0.086  0.186  424 LYS AAA CG  
735  C CD  . LYS A 106 ? 0.486 0.593 0.625 0.028  0.092  0.180  424 LYS AAA CD  
736  C CE  . LYS A 106 ? 0.549 0.623 0.714 0.029  0.120  0.194  424 LYS AAA CE  
737  N NZ  . LYS A 106 ? 0.656 0.724 0.862 0.008  0.122  0.183  424 LYS AAA NZ  
738  N N   . LEU A 107 ? 0.481 0.660 0.559 0.040  0.071  0.173  425 LEU AAA N   
739  C CA  . LEU A 107 ? 0.475 0.663 0.533 0.054  0.086  0.187  425 LEU AAA CA  
740  C C   . LEU A 107 ? 0.530 0.693 0.594 0.068  0.112  0.212  425 LEU AAA C   
741  O O   . LEU A 107 ? 0.553 0.690 0.652 0.057  0.120  0.213  425 LEU AAA O   
742  C CB  . LEU A 107 ? 0.462 0.651 0.534 0.043  0.090  0.180  425 LEU AAA CB  
743  C CG  . LEU A 107 ? 0.454 0.662 0.516 0.032  0.071  0.158  425 LEU AAA CG  
744  C CD1 . LEU A 107 ? 0.487 0.691 0.566 0.023  0.079  0.154  425 LEU AAA CD1 
745  C CD2 . LEU A 107 ? 0.493 0.728 0.514 0.043  0.064  0.153  425 LEU AAA CD2 
746  N N   . PRO A 108 ? 0.548 0.717 0.578 0.093  0.126  0.233  426 PRO AAA N   
747  C CA  . PRO A 108 ? 0.608 0.747 0.639 0.109  0.157  0.261  426 PRO AAA CA  
748  C C   . PRO A 108 ? 0.609 0.727 0.668 0.099  0.181  0.267  426 PRO AAA C   
749  O O   . PRO A 108 ? 0.620 0.755 0.677 0.091  0.174  0.255  426 PRO AAA O   
750  C CB  . PRO A 108 ? 0.628 0.790 0.606 0.142  0.158  0.279  426 PRO AAA CB  
751  C CG  . PRO A 108 ? 0.574 0.773 0.527 0.136  0.137  0.258  426 PRO AAA CG  
752  C CD  . PRO A 108 ? 0.536 0.741 0.523 0.106  0.115  0.229  426 PRO AAA CD  
753  N N   . ASP A 109 ? 0.651 0.733 0.735 0.101  0.212  0.285  427 ASP AAA N   
754  C CA  . ASP A 109 ? 0.659 0.721 0.775 0.092  0.241  0.293  427 ASP AAA CA  
755  C C   . ASP A 109 ? 0.685 0.760 0.759 0.111  0.253  0.305  427 ASP AAA C   
756  O O   . ASP A 109 ? 0.662 0.737 0.759 0.099  0.263  0.300  427 ASP AAA O   
757  C CB  . ASP A 109 ? 0.703 0.721 0.847 0.096  0.279  0.313  427 ASP AAA CB  
758  C CG  . ASP A 109 ? 0.685 0.685 0.875 0.074  0.272  0.297  427 ASP AAA CG  
759  O OD1 . ASP A 109 ? 0.709 0.731 0.911 0.056  0.238  0.271  427 ASP AAA OD1 
760  O OD2 . ASP A 109 ? 0.738 0.699 0.950 0.076  0.304  0.312  427 ASP AAA OD2 
761  N N   . ASP A 110 ? 0.771 0.859 0.785 0.140  0.250  0.321  428 ASP AAA N   
762  C CA  . ASP A 110 ? 0.845 0.942 0.808 0.163  0.266  0.336  428 ASP AAA CA  
763  C C   . ASP A 110 ? 0.735 0.872 0.670 0.156  0.233  0.309  428 ASP AAA C   
764  O O   . ASP A 110 ? 0.703 0.855 0.590 0.174  0.238  0.314  428 ASP AAA O   
765  C CB  . ASP A 110 ? 0.903 0.990 0.816 0.201  0.283  0.369  428 ASP AAA CB  
766  C CG  . ASP A 110 ? 1.169 1.204 1.107 0.208  0.328  0.398  428 ASP AAA CG  
767  O OD1 . ASP A 110 ? 1.220 1.231 1.211 0.184  0.350  0.393  428 ASP AAA OD1 
768  O OD2 . ASP A 110 ? 1.200 1.220 1.110 0.237  0.343  0.425  428 ASP AAA OD2 
769  N N   . PHE A 111 ? 0.673 0.827 0.640 0.131  0.204  0.281  429 PHE AAA N   
770  C CA  . PHE A 111 ? 0.620 0.806 0.568 0.121  0.177  0.254  429 PHE AAA CA  
771  C C   . PHE A 111 ? 0.646 0.834 0.570 0.126  0.194  0.254  429 PHE AAA C   
772  O O   . PHE A 111 ? 0.639 0.803 0.595 0.119  0.219  0.262  429 PHE AAA O   
773  C CB  . PHE A 111 ? 0.556 0.743 0.552 0.091  0.158  0.229  429 PHE AAA CB  
774  C CG  . PHE A 111 ? 0.533 0.747 0.513 0.081  0.135  0.202  429 PHE AAA CG  
775  C CD1 . PHE A 111 ? 0.526 0.768 0.475 0.087  0.113  0.190  429 PHE AAA CD1 
776  C CD2 . PHE A 111 ? 0.505 0.715 0.507 0.066  0.138  0.189  429 PHE AAA CD2 
777  C CE1 . PHE A 111 ? 0.529 0.791 0.469 0.074  0.095  0.163  429 PHE AAA CE1 
778  C CE2 . PHE A 111 ? 0.518 0.746 0.507 0.056  0.122  0.165  429 PHE AAA CE2 
779  C CZ  . PHE A 111 ? 0.515 0.767 0.473 0.059  0.101  0.151  429 PHE AAA CZ  
780  N N   . THR A 112 ? 0.682 0.898 0.553 0.138  0.181  0.244  430 THR AAA N   
781  C CA  . THR A 112 ? 0.699 0.923 0.539 0.140  0.189  0.234  430 THR AAA CA  
782  C C   . THR A 112 ? 0.721 0.974 0.557 0.122  0.159  0.198  430 THR AAA C   
783  O O   . THR A 112 ? 0.733 1.016 0.545 0.128  0.134  0.188  430 THR AAA O   
784  C CB  . THR A 112 ? 0.774 1.005 0.548 0.172  0.203  0.252  430 THR AAA CB  
785  O OG1 . THR A 112 ? 0.844 1.042 0.627 0.188  0.235  0.288  430 THR AAA OG1 
786  C CG2 . THR A 112 ? 0.803 1.035 0.540 0.176  0.218  0.243  430 THR AAA CG2 
787  N N   . GLY A 113 ? 0.684 0.928 0.550 0.102  0.161  0.181  431 GLY AAA N   
788  C CA  . GLY A 113 ? 0.631 0.892 0.500 0.083  0.139  0.148  431 GLY AAA CA  
789  C C   . GLY A 113 ? 0.619 0.861 0.534 0.063  0.145  0.140  431 GLY AAA C   
790  O O   . GLY A 113 ? 0.568 0.789 0.509 0.065  0.168  0.157  431 GLY AAA O   
791  N N   . CYS A 114 ? 0.553 0.802 0.479 0.047  0.128  0.115  432 CYS AAA N   
792  C CA  . CYS A 114 ? 0.555 0.787 0.520 0.031  0.132  0.107  432 CYS AAA CA  
793  C C   . CYS A 114 ? 0.526 0.760 0.515 0.018  0.110  0.097  432 CYS AAA C   
794  O O   . CYS A 114 ? 0.516 0.767 0.485 0.015  0.094  0.083  432 CYS AAA O   
795  C CB  . CYS A 114 ? 0.593 0.821 0.540 0.027  0.144  0.088  432 CYS AAA CB  
796  S SG  . CYS A 114 ? 0.685 0.908 0.595 0.044  0.173  0.099  432 CYS AAA SG  
797  N N   . VAL A 115 ? 0.497 0.717 0.529 0.012  0.109  0.105  433 VAL AAA N   
798  C CA  . VAL A 115 ? 0.468 0.686 0.521 0.000  0.090  0.096  433 VAL AAA CA  
799  C C   . VAL A 115 ? 0.472 0.678 0.536 -0.006 0.095  0.085  433 VAL AAA C   
800  O O   . VAL A 115 ? 0.460 0.658 0.550 -0.003 0.108  0.094  433 VAL AAA O   
801  C CB  . VAL A 115 ? 0.486 0.697 0.574 -0.001 0.083  0.111  433 VAL AAA CB  
802  C CG1 . VAL A 115 ? 0.471 0.678 0.575 -0.010 0.064  0.102  433 VAL AAA CG1 
803  C CG2 . VAL A 115 ? 0.479 0.694 0.555 0.008  0.085  0.123  433 VAL AAA CG2 
804  N N   . ILE A 116 ? 0.432 0.638 0.480 -0.014 0.088  0.067  434 ILE AAA N   
805  C CA  . ILE A 116 ? 0.442 0.631 0.494 -0.019 0.098  0.055  434 ILE AAA CA  
806  C C   . ILE A 116 ? 0.440 0.620 0.503 -0.025 0.084  0.052  434 ILE AAA C   
807  O O   . ILE A 116 ? 0.480 0.667 0.528 -0.031 0.073  0.042  434 ILE AAA O   
808  C CB  . ILE A 116 ? 0.473 0.665 0.492 -0.024 0.109  0.034  434 ILE AAA CB  
809  C CG1 . ILE A 116 ? 0.515 0.720 0.513 -0.015 0.119  0.038  434 ILE AAA CG1 
810  C CG2 . ILE A 116 ? 0.518 0.687 0.542 -0.028 0.125  0.022  434 ILE AAA CG2 
811  C CD1 . ILE A 116 ? 0.522 0.737 0.482 -0.019 0.124  0.014  434 ILE AAA CD1 
812  N N   . ALA A 117 ? 0.477 0.642 0.564 -0.022 0.085  0.060  435 ALA AAA N   
813  C CA  . ALA A 117 ? 0.418 0.572 0.508 -0.024 0.073  0.059  435 ALA AAA CA  
814  C C   . ALA A 117 ? 0.426 0.558 0.524 -0.018 0.086  0.060  435 ALA AAA C   
815  O O   . ALA A 117 ? 0.436 0.567 0.549 -0.011 0.100  0.066  435 ALA AAA O   
816  C CB  . ALA A 117 ? 0.383 0.543 0.491 -0.021 0.054  0.071  435 ALA AAA CB  
817  N N   . TRP A 118 ? 0.450 0.565 0.537 -0.020 0.085  0.057  436 TRP AAA N   
818  C CA  . TRP A 118 ? 0.474 0.562 0.563 -0.011 0.099  0.061  436 TRP AAA CA  
819  C C   . TRP A 118 ? 0.514 0.587 0.592 -0.008 0.089  0.066  436 TRP AAA C   
820  O O   . TRP A 118 ? 0.485 0.561 0.547 -0.018 0.079  0.058  436 TRP AAA O   
821  C CB  . TRP A 118 ? 0.467 0.537 0.542 -0.019 0.126  0.044  436 TRP AAA CB  
822  C CG  . TRP A 118 ? 0.524 0.588 0.576 -0.035 0.130  0.024  436 TRP AAA CG  
823  C CD1 . TRP A 118 ? 0.555 0.590 0.597 -0.039 0.144  0.017  436 TRP AAA CD1 
824  C CD2 . TRP A 118 ? 0.515 0.605 0.556 -0.048 0.122  0.007  436 TRP AAA CD2 
825  N NE1 . TRP A 118 ? 0.570 0.613 0.601 -0.057 0.145  -0.005 436 TRP AAA NE1 
826  C CE2 . TRP A 118 ? 0.531 0.610 0.560 -0.062 0.130  -0.012 436 TRP AAA CE2 
827  C CE3 . TRP A 118 ? 0.516 0.637 0.555 -0.048 0.111  0.007  436 TRP AAA CE3 
828  C CZ2 . TRP A 118 ? 0.538 0.644 0.559 -0.076 0.124  -0.033 436 TRP AAA CZ2 
829  C CZ3 . TRP A 118 ? 0.520 0.663 0.543 -0.059 0.105  -0.011 436 TRP AAA CZ3 
830  C CH2 . TRP A 118 ? 0.490 0.630 0.507 -0.073 0.109  -0.031 436 TRP AAA CH2 
831  N N   . ASN A 119 ? 0.543 0.599 0.626 0.008  0.092  0.079  437 ASN AAA N   
832  C CA  . ASN A 119 ? 0.511 0.548 0.576 0.017  0.084  0.088  437 ASN AAA CA  
833  C C   . ASN A 119 ? 0.520 0.526 0.559 0.007  0.107  0.076  437 ASN AAA C   
834  O O   . ASN A 119 ? 0.559 0.544 0.599 0.004  0.134  0.069  437 ASN AAA O   
835  C CB  . ASN A 119 ? 0.522 0.552 0.599 0.041  0.084  0.107  437 ASN AAA CB  
836  C CG  . ASN A 119 ? 0.539 0.551 0.591 0.055  0.075  0.118  437 ASN AAA CG  
837  O OD1 . ASN A 119 ? 0.568 0.545 0.592 0.052  0.095  0.115  437 ASN AAA OD1 
838  N ND2 . ASN A 119 ? 0.519 0.555 0.579 0.067  0.046  0.128  437 ASN AAA ND2 
839  N N   . SER A 120 ? 0.488 0.489 0.508 -0.000 0.100  0.071  438 SER AAA N   
840  C CA  . SER A 120 ? 0.540 0.514 0.542 -0.012 0.123  0.058  438 SER AAA CA  
841  C C   . SER A 120 ? 0.583 0.524 0.561 0.001  0.127  0.072  438 SER AAA C   
842  O O   . SER A 120 ? 0.578 0.500 0.541 -0.009 0.142  0.063  438 SER AAA O   
843  C CB  . SER A 120 ? 0.514 0.512 0.517 -0.033 0.116  0.038  438 SER AAA CB  
844  O OG  . SER A 120 ? 0.545 0.563 0.545 -0.030 0.089  0.045  438 SER AAA OG  
845  N N   . ASN A 121 ? 0.619 0.555 0.593 0.025  0.117  0.094  439 ASN AAA N   
846  C CA  . ASN A 121 ? 0.641 0.548 0.585 0.044  0.118  0.111  439 ASN AAA CA  
847  C C   . ASN A 121 ? 0.691 0.550 0.615 0.040  0.158  0.108  439 ASN AAA C   
848  O O   . ASN A 121 ? 0.746 0.583 0.643 0.041  0.164  0.111  439 ASN AAA O   
849  C CB  . ASN A 121 ? 0.669 0.580 0.616 0.073  0.106  0.133  439 ASN AAA CB  
850  C CG  . ASN A 121 ? 0.704 0.598 0.614 0.097  0.096  0.151  439 ASN AAA CG  
851  O OD1 . ASN A 121 ? 0.712 0.616 0.604 0.092  0.077  0.146  439 ASN AAA OD1 
852  N ND2 . ASN A 121 ? 0.663 0.533 0.560 0.125  0.108  0.173  439 ASN AAA ND2 
853  N N   . ASN A 122 ? 0.717 0.554 0.654 0.035  0.188  0.101  440 ASN AAA N   
854  C CA  . ASN A 122 ? 0.753 0.536 0.674 0.032  0.232  0.100  440 ASN AAA CA  
855  C C   . ASN A 122 ? 0.763 0.548 0.690 0.001  0.244  0.072  440 ASN AAA C   
856  O O   . ASN A 122 ? 0.756 0.499 0.672 -0.005 0.279  0.069  440 ASN AAA O   
857  C CB  . ASN A 122 ? 0.789 0.545 0.724 0.037  0.262  0.101  440 ASN AAA CB  
858  C CG  . ASN A 122 ? 0.806 0.567 0.743 0.070  0.249  0.128  440 ASN AAA CG  
859  O OD1 . ASN A 122 ? 0.816 0.570 0.730 0.097  0.236  0.153  440 ASN AAA OD1 
860  N ND2 . ASN A 122 ? 0.780 0.553 0.743 0.070  0.254  0.123  440 ASN AAA ND2 
861  N N   . LEU A 123 ? 0.726 0.559 0.671 -0.018 0.219  0.054  441 LEU AAA N   
862  C CA  . LEU A 123 ? 0.721 0.568 0.676 -0.046 0.225  0.027  441 LEU AAA CA  
863  C C   . LEU A 123 ? 0.666 0.528 0.607 -0.043 0.203  0.033  441 LEU AAA C   
864  O O   . LEU A 123 ? 0.682 0.535 0.623 -0.057 0.219  0.022  441 LEU AAA O   
865  C CB  . LEU A 123 ? 0.707 0.598 0.687 -0.065 0.213  0.004  441 LEU AAA CB  
866  C CG  . LEU A 123 ? 0.752 0.626 0.743 -0.072 0.238  -0.010 441 LEU AAA CG  
867  C CD1 . LEU A 123 ? 0.713 0.634 0.720 -0.086 0.221  -0.031 441 LEU AAA CD1 
868  C CD2 . LEU A 123 ? 0.829 0.663 0.823 -0.088 0.279  -0.027 441 LEU AAA CD2 
869  N N   . ASP A 124 ? 0.645 0.532 0.580 -0.028 0.169  0.048  442 ASP AAA N   
870  C CA  . ASP A 124 ? 0.617 0.528 0.546 -0.031 0.146  0.047  442 ASP AAA CA  
871  C C   . ASP A 124 ? 0.696 0.586 0.591 -0.009 0.135  0.068  442 ASP AAA C   
872  O O   . ASP A 124 ? 0.705 0.609 0.591 -0.011 0.118  0.066  442 ASP AAA O   
873  C CB  . ASP A 124 ? 0.587 0.545 0.537 -0.037 0.116  0.040  442 ASP AAA CB  
874  C CG  . ASP A 124 ? 0.574 0.558 0.548 -0.057 0.123  0.018  442 ASP AAA CG  
875  O OD1 . ASP A 124 ? 0.572 0.553 0.552 -0.073 0.142  0.001  442 ASP AAA OD1 
876  O OD2 . ASP A 124 ? 0.574 0.581 0.562 -0.056 0.112  0.017  442 ASP AAA OD2 
877  N N   . SER A 125 ? 0.692 0.551 0.568 0.012  0.144  0.087  443 SER AAA N   
878  C CA  . SER A 125 ? 0.755 0.590 0.591 0.037  0.137  0.108  443 SER AAA CA  
879  C C   . SER A 125 ? 0.823 0.604 0.630 0.042  0.178  0.115  443 SER AAA C   
880  O O   . SER A 125 ? 0.889 0.647 0.712 0.034  0.210  0.111  443 SER AAA O   
881  C CB  . SER A 125 ? 0.748 0.590 0.581 0.063  0.119  0.127  443 SER AAA CB  
882  O OG  . SER A 125 ? 0.742 0.632 0.601 0.059  0.083  0.121  443 SER AAA OG  
883  N N   . LYS A 126 ? 0.902 0.662 0.669 0.055  0.178  0.126  444 LYS AAA N   
884  C CA  . LYS A 126 ? 1.023 0.725 0.755 0.065  0.218  0.139  444 LYS AAA CA  
885  C C   . LYS A 126 ? 0.999 0.681 0.675 0.102  0.205  0.166  444 LYS AAA C   
886  O O   . LYS A 126 ? 1.050 0.763 0.714 0.108  0.166  0.164  444 LYS AAA O   
887  C CB  . LYS A 126 ? 1.132 0.828 0.865 0.044  0.236  0.122  444 LYS AAA CB  
888  C CG  . LYS A 126 ? 1.258 0.953 1.034 0.013  0.268  0.100  444 LYS AAA CG  
889  C CD  . LYS A 126 ? 1.349 1.057 1.141 -0.010 0.278  0.080  444 LYS AAA CD  
890  C CE  . LYS A 126 ? 1.325 1.069 1.173 -0.042 0.283  0.050  444 LYS AAA CE  
891  N NZ  . LYS A 126 ? 1.366 1.116 1.235 -0.063 0.303  0.032  444 LYS AAA NZ  
892  N N   . VAL A 127 ? 1.088 0.719 0.731 0.126  0.236  0.189  445 VAL AAA N   
893  C CA  . VAL A 127 ? 1.199 0.802 0.776 0.163  0.231  0.216  445 VAL AAA CA  
894  C C   . VAL A 127 ? 1.168 0.765 0.715 0.154  0.230  0.207  445 VAL AAA C   
895  O O   . VAL A 127 ? 1.131 0.707 0.694 0.131  0.265  0.194  445 VAL AAA O   
896  C CB  . VAL A 127 ? 1.316 0.854 0.859 0.189  0.278  0.244  445 VAL AAA CB  
897  C CG1 . VAL A 127 ? 1.387 0.899 0.855 0.232  0.270  0.273  445 VAL AAA CG1 
898  C CG2 . VAL A 127 ? 1.320 0.858 0.895 0.198  0.284  0.252  445 VAL AAA CG2 
899  N N   . GLY A 128 ? 1.183 0.803 0.696 0.171  0.191  0.210  446 GLY AAA N   
900  C CA  . GLY A 128 ? 1.115 0.734 0.599 0.164  0.185  0.199  446 GLY AAA CA  
901  C C   . GLY A 128 ? 1.120 0.792 0.654 0.132  0.155  0.171  446 GLY AAA C   
902  O O   . GLY A 128 ? 1.114 0.792 0.628 0.128  0.143  0.161  446 GLY AAA O   
903  N N   . GLY A 129 ? 1.060 0.766 0.654 0.114  0.146  0.159  447 GLY AAA N   
904  C CA  . GLY A 129 ? 0.949 0.706 0.589 0.088  0.118  0.136  447 GLY AAA CA  
905  C C   . GLY A 129 ? 0.911 0.673 0.593 0.058  0.143  0.118  447 GLY AAA C   
906  O O   . GLY A 129 ? 0.895 0.627 0.563 0.053  0.175  0.116  447 GLY AAA O   
907  N N   . ASN A 130 ? 0.873 0.675 0.607 0.039  0.129  0.104  448 ASN AAA N   
908  C CA  . ASN A 130 ? 0.829 0.653 0.604 0.011  0.141  0.083  448 ASN AAA CA  
909  C C   . ASN A 130 ? 0.741 0.597 0.522 0.005  0.112  0.073  448 ASN AAA C   
910  O O   . ASN A 130 ? 0.757 0.641 0.550 0.009  0.082  0.073  448 ASN AAA O   
911  C CB  . ASN A 130 ? 0.809 0.656 0.628 -0.002 0.143  0.074  448 ASN AAA CB  
912  C CG  . ASN A 130 ? 0.782 0.656 0.639 -0.029 0.152  0.051  448 ASN AAA CG  
913  O OD1 . ASN A 130 ? 0.780 0.652 0.636 -0.037 0.163  0.043  448 ASN AAA OD1 
914  N ND2 . ASN A 130 ? 0.609 0.509 0.499 -0.040 0.148  0.040  448 ASN AAA ND2 
915  N N   . TYR A 131 ? 0.739 0.590 0.516 -0.003 0.125  0.065  449 TYR AAA N   
916  C CA  . TYR A 131 ? 0.719 0.596 0.502 -0.007 0.103  0.056  449 TYR AAA CA  
917  C C   . TYR A 131 ? 0.635 0.549 0.467 -0.028 0.107  0.040  449 TYR AAA C   
918  O O   . TYR A 131 ? 0.634 0.568 0.474 -0.030 0.094  0.034  449 TYR AAA O   
919  C CB  . TYR A 131 ? 0.799 0.644 0.536 0.004  0.113  0.061  449 TYR AAA CB  
920  C CG  . TYR A 131 ? 0.830 0.646 0.515 0.027  0.102  0.076  449 TYR AAA CG  
921  C CD1 . TYR A 131 ? 0.805 0.641 0.481 0.035  0.065  0.075  449 TYR AAA CD1 
922  C CD2 . TYR A 131 ? 0.860 0.634 0.508 0.042  0.128  0.091  449 TYR AAA CD2 
923  C CE1 . TYR A 131 ? 0.839 0.659 0.471 0.058  0.049  0.087  449 TYR AAA CE1 
924  C CE2 . TYR A 131 ? 0.931 0.686 0.530 0.068  0.114  0.107  449 TYR AAA CE2 
925  C CZ  . TYR A 131 ? 0.921 0.703 0.513 0.076  0.072  0.104  449 TYR AAA CZ  
926  O OH  . TYR A 131 ? 0.994 0.767 0.541 0.102  0.052  0.117  449 TYR AAA OH  
927  N N   . ASN A 132 ? 0.600 0.527 0.464 -0.041 0.122  0.032  450 ASN AAA N   
928  C CA  A ASN A 132 ? 0.557 0.526 0.467 -0.059 0.124  0.014  450 ASN AAA CA  
929  C CA  B ASN A 132 ? 0.629 0.597 0.535 -0.058 0.122  0.015  450 ASN AAA CA  
930  C C   . ASN A 132 ? 0.549 0.557 0.476 -0.058 0.093  0.013  450 ASN AAA C   
931  O O   . ASN A 132 ? 0.612 0.652 0.563 -0.065 0.088  0.004  450 ASN AAA O   
932  C CB  A ASN A 132 ? 0.483 0.456 0.417 -0.072 0.141  0.004  450 ASN AAA CB  
933  C CB  B ASN A 132 ? 0.658 0.629 0.592 -0.075 0.151  -0.001 450 ASN AAA CB  
934  C CG  A ASN A 132 ? 0.439 0.462 0.415 -0.089 0.135  -0.016 450 ASN AAA CG  
935  C CG  B ASN A 132 ? 0.691 0.667 0.638 -0.083 0.169  -0.010 450 ASN AAA CG  
936  O OD1 A ASN A 132 ? 0.355 0.399 0.352 -0.098 0.143  -0.029 450 ASN AAA OD1 
937  O OD1 B ASN A 132 ? 0.564 0.583 0.550 -0.095 0.167  -0.026 450 ASN AAA OD1 
938  N ND2 A ASN A 132 ? 0.362 0.406 0.351 -0.092 0.123  -0.021 450 ASN AAA ND2 
939  N ND2 B ASN A 132 ? 0.828 0.762 0.740 -0.073 0.186  0.001  450 ASN AAA ND2 
940  N N   . TYR A 133 ? 0.537 0.542 0.455 -0.050 0.075  0.023  451 TYR AAA N   
941  C CA  . TYR A 133 ? 0.511 0.549 0.449 -0.049 0.051  0.023  451 TYR AAA CA  
942  C C   . TYR A 133 ? 0.536 0.573 0.462 -0.041 0.033  0.028  451 TYR AAA C   
943  O O   . TYR A 133 ? 0.548 0.558 0.445 -0.032 0.027  0.035  451 TYR AAA O   
944  C CB  . TYR A 133 ? 0.500 0.540 0.443 -0.046 0.043  0.029  451 TYR AAA CB  
945  C CG  . TYR A 133 ? 0.532 0.575 0.490 -0.055 0.060  0.021  451 TYR AAA CG  
946  C CD1 . TYR A 133 ? 0.501 0.580 0.484 -0.066 0.059  0.008  451 TYR AAA CD1 
947  C CD2 . TYR A 133 ? 0.552 0.564 0.498 -0.053 0.079  0.024  451 TYR AAA CD2 
948  C CE1 . TYR A 133 ? 0.472 0.557 0.468 -0.077 0.074  -0.004 451 TYR AAA CE1 
949  C CE2 . TYR A 133 ? 0.585 0.597 0.546 -0.064 0.098  0.013  451 TYR AAA CE2 
950  C CZ  . TYR A 133 ? 0.509 0.558 0.495 -0.077 0.095  -0.003 451 TYR AAA CZ  
951  O OH  . TYR A 133 ? 0.490 0.540 0.489 -0.089 0.112  -0.019 451 TYR AAA OH  
952  N N   . LEU A 134 ? 0.460 0.523 0.405 -0.044 0.026  0.024  452 LEU AAA N   
953  C CA  . LEU A 134 ? 0.476 0.536 0.416 -0.039 0.014  0.027  452 LEU AAA CA  
954  C C   . LEU A 134 ? 0.504 0.586 0.465 -0.038 -0.001 0.031  452 LEU AAA C   
955  O O   . LEU A 134 ? 0.467 0.574 0.448 -0.041 -0.001 0.031  452 LEU AAA O   
956  C CB  . LEU A 134 ? 0.453 0.518 0.397 -0.040 0.025  0.021  452 LEU AAA CB  
957  C CG  . LEU A 134 ? 0.516 0.566 0.450 -0.043 0.048  0.016  452 LEU AAA CG  
958  C CD1 . LEU A 134 ? 0.510 0.575 0.459 -0.044 0.058  0.010  452 LEU AAA CD1 
959  C CD2 . LEU A 134 ? 0.544 0.551 0.437 -0.036 0.052  0.021  452 LEU AAA CD2 
960  N N   . TYR A 135 ? 0.480 0.551 0.436 -0.034 -0.012 0.033  453 TYR AAA N   
961  C CA  . TYR A 135 ? 0.511 0.596 0.488 -0.034 -0.021 0.037  453 TYR AAA CA  
962  C C   . TYR A 135 ? 0.538 0.608 0.509 -0.031 -0.020 0.034  453 TYR AAA C   
963  O O   . TYR A 135 ? 0.533 0.580 0.478 -0.030 -0.018 0.028  453 TYR AAA O   
964  C CB  . TYR A 135 ? 0.473 0.554 0.456 -0.034 -0.035 0.039  453 TYR AAA CB  
965  C CG  . TYR A 135 ? 0.474 0.534 0.436 -0.033 -0.046 0.034  453 TYR AAA CG  
966  C CD1 . TYR A 135 ? 0.517 0.563 0.452 -0.028 -0.047 0.035  453 TYR AAA CD1 
967  C CD2 . TYR A 135 ? 0.500 0.552 0.466 -0.035 -0.056 0.028  453 TYR AAA CD2 
968  C CE1 . TYR A 135 ? 0.526 0.556 0.436 -0.023 -0.060 0.030  453 TYR AAA CE1 
969  C CE2 . TYR A 135 ? 0.540 0.577 0.484 -0.033 -0.069 0.020  453 TYR AAA CE2 
970  C CZ  . TYR A 135 ? 0.545 0.572 0.458 -0.026 -0.073 0.021  453 TYR AAA CZ  
971  O OH  . TYR A 135 ? 0.615 0.630 0.499 -0.021 -0.089 0.013  453 TYR AAA OH  
972  N N   . ARG A 136 ? 0.481 0.562 0.472 -0.028 -0.018 0.039  454 ARG AAA N   
973  C CA  . ARG A 136 ? 0.493 0.557 0.482 -0.025 -0.013 0.037  454 ARG AAA CA  
974  C C   . ARG A 136 ? 0.512 0.556 0.501 -0.031 -0.025 0.031  454 ARG AAA C   
975  O O   . ARG A 136 ? 0.533 0.587 0.542 -0.034 -0.031 0.035  454 ARG AAA O   
976  C CB  . ARG A 136 ? 0.461 0.542 0.471 -0.017 -0.004 0.047  454 ARG AAA CB  
977  C CG  . ARG A 136 ? 0.483 0.543 0.493 -0.011 0.006  0.047  454 ARG AAA CG  
978  C CD  . ARG A 136 ? 0.498 0.578 0.527 0.003  0.016  0.062  454 ARG AAA CD  
979  N NE  . ARG A 136 ? 0.478 0.594 0.510 0.009  0.017  0.064  454 ARG AAA NE  
980  C CZ  . ARG A 136 ? 0.486 0.606 0.515 0.013  0.025  0.058  454 ARG AAA CZ  
981  N NH1 . ARG A 136 ? 0.528 0.616 0.546 0.013  0.033  0.053  454 ARG AAA NH1 
982  N NH2 . ARG A 136 ? 0.452 0.610 0.491 0.015  0.025  0.057  454 ARG AAA NH2 
983  N N   . LEU A 137 ? 0.534 0.551 0.500 -0.032 -0.026 0.020  455 LEU AAA N   
984  C CA  . LEU A 137 ? 0.533 0.535 0.495 -0.039 -0.041 0.008  455 LEU AAA CA  
985  C C   . LEU A 137 ? 0.521 0.505 0.496 -0.042 -0.032 0.002  455 LEU AAA C   
986  O O   . LEU A 137 ? 0.512 0.490 0.503 -0.051 -0.041 -0.007 455 LEU AAA O   
987  C CB  . LEU A 137 ? 0.564 0.549 0.483 -0.037 -0.048 -0.002 455 LEU AAA CB  
988  C CG  . LEU A 137 ? 0.657 0.626 0.559 -0.041 -0.066 -0.019 455 LEU AAA CG  
989  C CD1 . LEU A 137 ? 0.648 0.639 0.581 -0.048 -0.084 -0.022 455 LEU AAA CD1 
990  C CD2 . LEU A 137 ? 0.703 0.656 0.554 -0.034 -0.071 -0.024 455 LEU AAA CD2 
991  N N   . PHE A 138 ? 0.562 0.537 0.534 -0.034 -0.014 0.007  456 PHE AAA N   
992  C CA  . PHE A 138 ? 0.595 0.545 0.577 -0.034 -0.000 0.003  456 PHE AAA CA  
993  C C   . PHE A 138 ? 0.589 0.552 0.594 -0.021 0.018  0.023  456 PHE AAA C   
994  O O   . PHE A 138 ? 0.621 0.605 0.621 -0.011 0.023  0.033  456 PHE AAA O   
995  C CB  . PHE A 138 ? 0.643 0.562 0.592 -0.032 0.007  -0.011 456 PHE AAA CB  
996  C CG  . PHE A 138 ? 0.702 0.608 0.617 -0.040 -0.011 -0.030 456 PHE AAA CG  
997  C CD1 . PHE A 138 ? 0.712 0.608 0.631 -0.052 -0.025 -0.048 456 PHE AAA CD1 
998  C CD2 . PHE A 138 ? 0.695 0.601 0.574 -0.034 -0.013 -0.029 456 PHE AAA CD2 
999  C CE1 . PHE A 138 ? 0.726 0.616 0.611 -0.055 -0.045 -0.066 456 PHE AAA CE1 
1000 C CE2 . PHE A 138 ? 0.778 0.672 0.619 -0.036 -0.029 -0.044 456 PHE AAA CE2 
1001 C CZ  . PHE A 138 ? 0.735 0.622 0.577 -0.045 -0.048 -0.062 456 PHE AAA CZ  
1002 N N   . ARG A 139 ? 0.618 0.567 0.646 -0.021 0.029  0.028  457 ARG AAA N   
1003 C CA  . ARG A 139 ? 0.612 0.569 0.657 -0.004 0.049  0.049  457 ARG AAA CA  
1004 C C   . ARG A 139 ? 0.620 0.540 0.682 -0.005 0.067  0.049  457 ARG AAA C   
1005 O O   . ARG A 139 ? 0.671 0.577 0.746 -0.022 0.061  0.036  457 ARG AAA O   
1006 C CB  . ARG A 139 ? 0.575 0.570 0.632 0.002  0.042  0.066  457 ARG AAA CB  
1007 C CG  . ARG A 139 ? 0.570 0.585 0.634 0.023  0.056  0.088  457 ARG AAA CG  
1008 C CD  . ARG A 139 ? 0.524 0.581 0.591 0.029  0.047  0.100  457 ARG AAA CD  
1009 N NE  . ARG A 139 ? 0.558 0.643 0.627 0.052  0.054  0.117  457 ARG AAA NE  
1010 C CZ  . ARG A 139 ? 0.534 0.616 0.610 0.070  0.069  0.138  457 ARG AAA CZ  
1011 N NH1 . ARG A 139 ? 0.533 0.582 0.619 0.066  0.082  0.144  457 ARG AAA NH1 
1012 N NH2 . ARG A 139 ? 0.534 0.648 0.609 0.094  0.072  0.154  457 ARG AAA NH2 
1013 N N   . LYS A 140 ? 0.700 0.607 0.766 0.012  0.089  0.063  458 LYS AAA N   
1014 C CA  . LYS A 140 ? 0.757 0.621 0.839 0.014  0.115  0.065  458 LYS AAA CA  
1015 C C   . LYS A 140 ? 0.729 0.595 0.838 0.013  0.123  0.081  458 LYS AAA C   
1016 O O   . LYS A 140 ? 0.735 0.563 0.863 0.005  0.141  0.076  458 LYS AAA O   
1017 C CB  . LYS A 140 ? 0.860 0.715 0.939 0.040  0.138  0.083  458 LYS AAA CB  
1018 C CG  . LYS A 140 ? 1.045 0.881 1.104 0.040  0.143  0.067  458 LYS AAA CG  
1019 C CD  . LYS A 140 ? 1.205 1.051 1.266 0.069  0.161  0.087  458 LYS AAA CD  
1020 C CE  . LYS A 140 ? 1.240 1.147 1.302 0.082  0.145  0.100  458 LYS AAA CE  
1021 N NZ  . LYS A 140 ? 1.271 1.198 1.343 0.112  0.160  0.122  458 LYS AAA NZ  
1022 N N   . SER A 141 ? 0.656 0.562 0.767 0.021  0.112  0.098  459 SER AAA N   
1023 C CA  . SER A 141 ? 0.657 0.565 0.789 0.022  0.123  0.115  459 SER AAA CA  
1024 C C   . SER A 141 ? 0.593 0.545 0.721 0.021  0.102  0.120  459 SER AAA C   
1025 O O   . SER A 141 ? 0.574 0.556 0.683 0.023  0.083  0.115  459 SER AAA O   
1026 C CB  . SER A 141 ? 0.687 0.582 0.822 0.050  0.151  0.144  459 SER AAA CB  
1027 O OG  . SER A 141 ? 0.668 0.603 0.784 0.074  0.143  0.161  459 SER AAA OG  
1028 N N   . ASN A 142 ? 0.621 0.574 0.768 0.017  0.109  0.129  460 ASN AAA N   
1029 C CA  . ASN A 142 ? 0.587 0.577 0.732 0.017  0.095  0.136  460 ASN AAA CA  
1030 C C   . ASN A 142 ? 0.547 0.568 0.669 0.043  0.096  0.158  460 ASN AAA C   
1031 O O   . ASN A 142 ? 0.536 0.545 0.654 0.064  0.116  0.178  460 ASN AAA O   
1032 C CB  . ASN A 142 ? 0.628 0.606 0.801 0.007  0.108  0.141  460 ASN AAA CB  
1033 C CG  . ASN A 142 ? 0.630 0.592 0.830 -0.021 0.100  0.115  460 ASN AAA CG  
1034 O OD1 . ASN A 142 ? 0.665 0.630 0.855 -0.032 0.079  0.092  460 ASN AAA OD1 
1035 N ND2 . ASN A 142 ? 0.591 0.538 0.827 -0.031 0.116  0.116  460 ASN AAA ND2 
1036 N N   . LEU A 143 ? 0.485 0.544 0.594 0.041  0.076  0.153  461 LEU AAA N   
1037 C CA  . LEU A 143 ? 0.508 0.604 0.597 0.062  0.074  0.169  461 LEU AAA CA  
1038 C C   . LEU A 143 ? 0.572 0.663 0.662 0.077  0.093  0.193  461 LEU AAA C   
1039 O O   . LEU A 143 ? 0.617 0.688 0.726 0.063  0.102  0.192  461 LEU AAA O   
1040 C CB  . LEU A 143 ? 0.464 0.593 0.545 0.050  0.052  0.153  461 LEU AAA CB  
1041 C CG  . LEU A 143 ? 0.504 0.640 0.579 0.039  0.036  0.133  461 LEU AAA CG  
1042 C CD1 . LEU A 143 ? 0.507 0.670 0.574 0.029  0.021  0.121  461 LEU AAA CD1 
1043 C CD2 . LEU A 143 ? 0.476 0.626 0.545 0.055  0.039  0.138  461 LEU AAA CD2 
1044 N N   . LYS A 144 ? 0.542 0.655 0.612 0.105  0.099  0.214  462 LYS AAA N   
1045 C CA  . LYS A 144 ? 0.544 0.665 0.600 0.124  0.112  0.237  462 LYS AAA CA  
1046 C C   . LYS A 144 ? 0.520 0.677 0.563 0.114  0.092  0.224  462 LYS AAA C   
1047 O O   . LYS A 144 ? 0.475 0.657 0.518 0.100  0.070  0.202  462 LYS AAA O   
1048 C CB  . LYS A 144 ? 0.583 0.721 0.616 0.160  0.120  0.263  462 LYS AAA CB  
1049 C CG  . LYS A 144 ? 0.644 0.736 0.686 0.176  0.150  0.284  462 LYS AAA CG  
1050 C CD  . LYS A 144 ? 0.662 0.728 0.726 0.159  0.149  0.266  462 LYS AAA CD  
1051 C CE  . LYS A 144 ? 0.708 0.735 0.777 0.180  0.178  0.286  462 LYS AAA CE  
1052 N NZ  . LYS A 144 ? 0.706 0.722 0.786 0.171  0.172  0.268  462 LYS AAA NZ  
1053 N N   . PRO A 145 ? 0.523 0.683 0.555 0.122  0.103  0.238  463 PRO AAA N   
1054 C CA  . PRO A 145 ? 0.506 0.698 0.523 0.114  0.088  0.225  463 PRO AAA CA  
1055 C C   . PRO A 145 ? 0.486 0.726 0.481 0.125  0.066  0.215  463 PRO AAA C   
1056 O O   . PRO A 145 ? 0.519 0.776 0.497 0.151  0.068  0.231  463 PRO AAA O   
1057 C CB  . PRO A 145 ? 0.554 0.740 0.554 0.131  0.109  0.247  463 PRO AAA CB  
1058 C CG  . PRO A 145 ? 0.575 0.714 0.594 0.136  0.138  0.269  463 PRO AAA CG  
1059 C CD  . PRO A 145 ? 0.584 0.713 0.615 0.139  0.134  0.266  463 PRO AAA CD  
1060 N N   . PHE A 146 ? 0.470 0.731 0.469 0.104  0.047  0.189  464 PHE AAA N   
1061 C CA  . PHE A 146 ? 0.468 0.776 0.453 0.106  0.027  0.172  464 PHE AAA CA  
1062 C C   . PHE A 146 ? 0.457 0.778 0.452 0.113  0.019  0.170  464 PHE AAA C   
1063 O O   . PHE A 146 ? 0.440 0.805 0.429 0.117  0.004  0.157  464 PHE AAA O   
1064 C CB  . PHE A 146 ? 0.508 0.849 0.461 0.125  0.025  0.179  464 PHE AAA CB  
1065 C CG  . PHE A 146 ? 0.518 0.847 0.461 0.117  0.034  0.177  464 PHE AAA CG  
1066 C CD1 . PHE A 146 ? 0.459 0.780 0.417 0.090  0.029  0.155  464 PHE AAA CD1 
1067 C CD2 . PHE A 146 ? 0.526 0.851 0.443 0.138  0.049  0.200  464 PHE AAA CD2 
1068 C CE1 . PHE A 146 ? 0.467 0.778 0.418 0.084  0.038  0.154  464 PHE AAA CE1 
1069 C CE2 . PHE A 146 ? 0.503 0.815 0.411 0.131  0.061  0.198  464 PHE AAA CE2 
1070 C CZ  . PHE A 146 ? 0.484 0.792 0.411 0.104  0.054  0.175  464 PHE AAA CZ  
1071 N N   . GLU A 147 ? 0.505 0.789 0.516 0.113  0.030  0.178  465 GLU AAA N   
1072 C CA  . GLU A 147 ? 0.526 0.816 0.550 0.115  0.025  0.172  465 GLU AAA CA  
1073 C C   . GLU A 147 ? 0.456 0.753 0.489 0.088  0.012  0.143  465 GLU AAA C   
1074 O O   . GLU A 147 ? 0.462 0.733 0.500 0.068  0.012  0.134  465 GLU AAA O   
1075 C CB  . GLU A 147 ? 0.526 0.767 0.563 0.116  0.043  0.183  465 GLU AAA CB  
1076 C CG  . GLU A 147 ? 0.516 0.759 0.561 0.124  0.043  0.181  465 GLU AAA CG  
1077 C CD  . GLU A 147 ? 0.562 0.756 0.617 0.130  0.065  0.194  465 GLU AAA CD  
1078 O OE1 . GLU A 147 ? 0.560 0.717 0.618 0.126  0.079  0.204  465 GLU AAA OE1 
1079 O OE2 . GLU A 147 ? 0.563 0.752 0.625 0.138  0.069  0.193  465 GLU AAA OE2 
1080 N N   A ARG A 148 ? 0.472 0.803 0.511 0.091  0.002  0.131  466 ARG AAA N   
1081 N N   B ARG A 148 ? 0.480 0.813 0.519 0.090  0.002  0.131  466 ARG AAA N   
1082 C CA  A ARG A 148 ? 0.459 0.793 0.508 0.068  -0.005 0.106  466 ARG AAA CA  
1083 C CA  B ARG A 148 ? 0.472 0.806 0.521 0.068  -0.005 0.106  466 ARG AAA CA  
1084 C C   A ARG A 148 ? 0.446 0.769 0.507 0.071  0.001  0.106  466 ARG AAA C   
1085 C C   B ARG A 148 ? 0.454 0.776 0.515 0.071  0.001  0.106  466 ARG AAA C   
1086 O O   A ARG A 148 ? 0.456 0.813 0.525 0.089  -0.001 0.111  466 ARG AAA O   
1087 O O   B ARG A 148 ? 0.461 0.816 0.530 0.090  -0.000 0.112  466 ARG AAA O   
1088 C CB  A ARG A 148 ? 0.467 0.853 0.516 0.063  -0.017 0.088  466 ARG AAA CB  
1089 C CB  B ARG A 148 ? 0.493 0.878 0.543 0.062  -0.017 0.087  466 ARG AAA CB  
1090 C CG  A ARG A 148 ? 0.462 0.843 0.520 0.037  -0.019 0.063  466 ARG AAA CG  
1091 C CG  B ARG A 148 ? 0.495 0.878 0.557 0.038  -0.019 0.063  466 ARG AAA CG  
1092 C CD  A ARG A 148 ? 0.468 0.895 0.526 0.031  -0.028 0.045  466 ARG AAA CD  
1093 C CD  B ARG A 148 ? 0.512 0.945 0.582 0.031  -0.028 0.042  466 ARG AAA CD  
1094 N NE  A ARG A 148 ? 0.436 0.868 0.509 0.009  -0.027 0.020  466 ARG AAA NE  
1095 N NE  B ARG A 148 ? 0.553 0.998 0.604 0.033  -0.033 0.042  466 ARG AAA NE  
1096 C CZ  A ARG A 148 ? 0.446 0.911 0.541 0.006  -0.028 0.006  466 ARG AAA CZ  
1097 C CZ  B ARG A 148 ? 0.549 1.047 0.596 0.041  -0.044 0.033  466 ARG AAA CZ  
1098 N NH1 A ARG A 148 ? 0.457 0.956 0.563 0.027  -0.033 0.015  466 ARG AAA NH1 
1099 N NH1 B ARG A 148 ? 0.618 1.165 0.682 0.047  -0.053 0.023  466 ARG AAA NH1 
1100 N NH2 A ARG A 148 ? 0.420 0.881 0.529 -0.016 -0.021 -0.017 466 ARG AAA NH2 
1101 N NH2 B ARG A 148 ? 0.546 1.046 0.571 0.042  -0.046 0.034  466 ARG AAA NH2 
1102 N N   . ASP A 149 ? 0.477 0.754 0.539 0.057  0.007  0.100  467 ASP AAA N   
1103 C CA  . ASP A 149 ? 0.427 0.686 0.495 0.058  0.015  0.098  467 ASP AAA CA  
1104 C C   . ASP A 149 ? 0.447 0.707 0.516 0.039  0.011  0.076  467 ASP AAA C   
1105 O O   . ASP A 149 ? 0.437 0.668 0.495 0.023  0.009  0.069  467 ASP AAA O   
1106 C CB  . ASP A 149 ? 0.458 0.664 0.521 0.057  0.025  0.104  467 ASP AAA CB  
1107 C CG  . ASP A 149 ? 0.471 0.655 0.537 0.061  0.035  0.102  467 ASP AAA CG  
1108 O OD1 . ASP A 149 ? 0.461 0.670 0.534 0.064  0.036  0.095  467 ASP AAA OD1 
1109 O OD2 . ASP A 149 ? 0.506 0.646 0.569 0.060  0.045  0.105  467 ASP AAA OD2 
1110 N N   . ILE A 150 ? 0.405 0.699 0.488 0.042  0.012  0.068  468 ILE AAA N   
1111 C CA  . ILE A 150 ? 0.446 0.737 0.532 0.025  0.016  0.049  468 ILE AAA CA  
1112 C C   . ILE A 150 ? 0.414 0.689 0.505 0.029  0.029  0.048  468 ILE AAA C   
1113 O O   . ILE A 150 ? 0.464 0.741 0.561 0.019  0.037  0.035  468 ILE AAA O   
1114 C CB  . ILE A 150 ? 0.436 0.780 0.540 0.018  0.010  0.034  468 ILE AAA CB  
1115 C CG1 . ILE A 150 ? 0.456 0.856 0.584 0.035  0.006  0.036  468 ILE AAA CG1 
1116 C CG2 . ILE A 150 ? 0.467 0.817 0.559 0.011  -0.000 0.033  468 ILE AAA CG2 
1117 C CD1 . ILE A 150 ? 0.475 0.929 0.626 0.024  -0.000 0.014  468 ILE AAA CD1 
1118 N N   . SER A 151 ? 0.428 0.680 0.515 0.044  0.036  0.062  469 SER AAA N   
1119 C CA  . SER A 151 ? 0.458 0.688 0.547 0.050  0.051  0.060  469 SER AAA CA  
1120 C C   . SER A 151 ? 0.517 0.696 0.579 0.033  0.057  0.048  469 SER AAA C   
1121 O O   . SER A 151 ? 0.484 0.642 0.529 0.022  0.047  0.046  469 SER AAA O   
1122 C CB  . SER A 151 ? 0.430 0.641 0.520 0.070  0.059  0.077  469 SER AAA CB  
1123 O OG  . SER A 151 ? 0.443 0.611 0.513 0.063  0.057  0.081  469 SER AAA OG  
1124 N N   . THR A 152 ? 0.581 0.744 0.641 0.033  0.072  0.042  470 THR AAA N   
1125 C CA  . THR A 152 ? 0.552 0.666 0.579 0.022  0.079  0.032  470 THR AAA CA  
1126 C C   . THR A 152 ? 0.612 0.693 0.629 0.031  0.096  0.032  470 THR AAA C   
1127 O O   . THR A 152 ? 0.742 0.798 0.740 0.028  0.110  0.023  470 THR AAA O   
1128 C CB  . THR A 152 ? 0.524 0.649 0.553 0.010  0.086  0.021  470 THR AAA CB  
1129 O OG1 . THR A 152 ? 0.463 0.623 0.524 0.017  0.100  0.019  470 THR AAA OG1 
1130 C CG2 . THR A 152 ? 0.474 0.623 0.509 -0.002 0.073  0.018  470 THR AAA CG2 
1131 N N   . GLU A 153 ? 0.644 0.719 0.670 0.044  0.098  0.042  471 GLU AAA N   
1132 C CA  . GLU A 153 ? 0.667 0.702 0.681 0.053  0.115  0.041  471 GLU AAA CA  
1133 C C   . GLU A 153 ? 0.664 0.645 0.638 0.040  0.111  0.029  471 GLU AAA C   
1134 O O   . GLU A 153 ? 0.610 0.586 0.578 0.031  0.094  0.028  471 GLU AAA O   
1135 C CB  . GLU A 153 ? 0.747 0.790 0.784 0.072  0.120  0.057  471 GLU AAA CB  
1136 C CG  . GLU A 153 ? 0.955 1.044 1.027 0.092  0.131  0.067  471 GLU AAA CG  
1137 C CD  . GLU A 153 ? 1.114 1.236 1.211 0.113  0.127  0.088  471 GLU AAA CD  
1138 O OE1 . GLU A 153 ? 1.182 1.365 1.303 0.120  0.115  0.093  471 GLU AAA OE1 
1139 O OE2 . GLU A 153 ? 1.156 1.243 1.247 0.123  0.136  0.099  471 GLU AAA OE2 
1140 N N   . ILE A 154 ? 0.694 0.638 0.641 0.040  0.127  0.018  472 ILE AAA N   
1141 C CA  . ILE A 154 ? 0.711 0.603 0.615 0.031  0.123  0.003  472 ILE AAA CA  
1142 C C   . ILE A 154 ? 0.689 0.564 0.603 0.030  0.117  0.003  472 ILE AAA C   
1143 O O   . ILE A 154 ? 0.715 0.585 0.650 0.042  0.134  0.012  472 ILE AAA O   
1144 C CB  . ILE A 154 ? 0.735 0.591 0.610 0.036  0.146  -0.007 472 ILE AAA CB  
1145 C CG1 . ILE A 154 ? 0.755 0.626 0.626 0.037  0.158  -0.006 472 ILE AAA CG1 
1146 C CG2 . ILE A 154 ? 0.780 0.586 0.606 0.027  0.140  -0.026 472 ILE AAA CG2 
1147 C CD1 . ILE A 154 ? 0.745 0.632 0.605 0.025  0.140  -0.006 472 ILE AAA CD1 
1148 N N   . TYR A 155 ? 0.680 0.545 0.581 0.016  0.097  -0.005 473 TYR AAA N   
1149 C CA  . TYR A 155 ? 0.684 0.535 0.601 0.010  0.091  -0.007 473 TYR AAA CA  
1150 C C   . TYR A 155 ? 0.829 0.629 0.719 0.004  0.099  -0.028 473 TYR AAA C   
1151 O O   . TYR A 155 ? 0.876 0.659 0.727 -0.005 0.088  -0.047 473 TYR AAA O   
1152 C CB  . TYR A 155 ? 0.671 0.541 0.592 -0.003 0.066  -0.008 473 TYR AAA CB  
1153 C CG  . TYR A 155 ? 0.689 0.546 0.628 -0.013 0.060  -0.014 473 TYR AAA CG  
1154 C CD1 . TYR A 155 ? 0.673 0.544 0.649 -0.008 0.067  0.004  473 TYR AAA CD1 
1155 C CD2 . TYR A 155 ? 0.739 0.571 0.659 -0.028 0.047  -0.037 473 TYR AAA CD2 
1156 C CE1 . TYR A 155 ? 0.702 0.558 0.699 -0.018 0.066  -0.001 473 TYR AAA CE1 
1157 C CE2 . TYR A 155 ? 0.746 0.570 0.692 -0.040 0.042  -0.046 473 TYR AAA CE2 
1158 C CZ  . TYR A 155 ? 0.749 0.582 0.735 -0.036 0.054  -0.027 473 TYR AAA CZ  
1159 O OH  . TYR A 155 ? 0.775 0.597 0.790 -0.050 0.054  -0.036 473 TYR AAA OH  
1160 N N   . GLN A 156 ? 0.832 0.609 0.740 0.010  0.120  -0.026 474 GLN AAA N   
1161 C CA  . GLN A 156 ? 0.901 0.626 0.791 0.003  0.132  -0.048 474 GLN AAA CA  
1162 C C   . GLN A 156 ? 0.971 0.686 0.871 -0.017 0.115  -0.064 474 GLN AAA C   
1163 O O   . GLN A 156 ? 1.001 0.717 0.939 -0.017 0.123  -0.053 474 GLN AAA O   
1164 C CB  . GLN A 156 ? 0.933 0.636 0.845 0.020  0.165  -0.036 474 GLN AAA CB  
1165 C CG  . GLN A 156 ? 1.013 0.657 0.905 0.014  0.184  -0.060 474 GLN AAA CG  
1166 C CD  . GLN A 156 ? 1.044 0.666 0.961 0.034  0.220  -0.044 474 GLN AAA CD  
1167 O OE1 . GLN A 156 ? 1.034 0.680 0.962 0.056  0.233  -0.022 474 GLN AAA OE1 
1168 N NE2 . GLN A 156 ? 1.037 0.613 0.963 0.026  0.237  -0.057 474 GLN AAA NE2 
1169 N N   . ALA A 157 ? 1.053 0.761 0.920 -0.032 0.093  -0.089 475 ALA AAA N   
1170 C CA  . ALA A 157 ? 1.060 0.767 0.938 -0.052 0.071  -0.110 475 ALA AAA CA  
1171 C C   . ALA A 157 ? 1.147 0.806 1.024 -0.064 0.088  -0.137 475 ALA AAA C   
1172 O O   . ALA A 157 ? 1.202 0.856 1.116 -0.079 0.087  -0.146 475 ALA AAA O   
1173 C CB  . ALA A 157 ? 1.032 0.756 0.872 -0.059 0.040  -0.124 475 ALA AAA CB  
1174 N N   . GLY A 158 ? 1.235 0.858 1.074 -0.057 0.105  -0.149 476 GLY AAA N   
1175 C CA  . GLY A 158 ? 1.272 0.843 1.100 -0.068 0.122  -0.180 476 GLY AAA CA  
1176 C C   . GLY A 158 ? 1.296 0.834 1.149 -0.054 0.164  -0.164 476 GLY AAA C   
1177 O O   . GLY A 158 ? 1.247 0.809 1.137 -0.039 0.175  -0.129 476 GLY AAA O   
1178 N N   . SER A 159 ? 1.336 0.820 1.168 -0.057 0.188  -0.188 477 SER AAA N   
1179 C CA  . SER A 159 ? 1.391 0.834 1.247 -0.043 0.232  -0.176 477 SER AAA CA  
1180 C C   . SER A 159 ? 1.403 0.837 1.229 -0.018 0.254  -0.163 477 SER AAA C   
1181 O O   . SER A 159 ? 1.421 0.834 1.270 0.001  0.289  -0.143 477 SER AAA O   
1182 C CB  . SER A 159 ? 1.428 0.814 1.287 -0.063 0.250  -0.212 477 SER AAA CB  
1183 O OG  . SER A 159 ? 1.469 0.842 1.279 -0.082 0.228  -0.255 477 SER AAA OG  
1184 N N   . THR A 160 ? 1.338 0.787 1.116 -0.017 0.236  -0.172 478 THR AAA N   
1185 C CA  . THR A 160 ? 1.330 0.776 1.086 0.006  0.258  -0.157 478 THR AAA CA  
1186 C C   . THR A 160 ? 1.213 0.719 1.001 0.022  0.250  -0.119 478 THR AAA C   
1187 O O   . THR A 160 ? 1.081 0.628 0.872 0.014  0.218  -0.113 478 THR AAA O   
1188 C CB  . THR A 160 ? 1.401 0.826 1.087 0.001  0.251  -0.184 478 THR AAA CB  
1189 O OG1 . THR A 160 ? 1.348 0.817 1.016 -0.004 0.215  -0.180 478 THR AAA OG1 
1190 C CG2 . THR A 160 ? 1.464 0.838 1.115 -0.018 0.251  -0.228 478 THR AAA CG2 
1191 N N   . PRO A 161 ? 1.210 0.724 1.026 0.046  0.278  -0.093 479 PRO AAA N   
1192 C CA  . PRO A 161 ? 1.120 0.695 0.967 0.062  0.270  -0.061 479 PRO AAA CA  
1193 C C   . PRO A 161 ? 1.067 0.665 0.883 0.061  0.259  -0.064 479 PRO AAA C   
1194 O O   . PRO A 161 ? 1.137 0.700 0.910 0.060  0.273  -0.082 479 PRO AAA O   
1195 C CB  . PRO A 161 ? 1.135 0.708 1.017 0.089  0.305  -0.038 479 PRO AAA CB  
1196 C CG  . PRO A 161 ? 1.207 0.712 1.062 0.090  0.337  -0.060 479 PRO AAA CG  
1197 C CD  . PRO A 161 ? 1.234 0.701 1.057 0.061  0.319  -0.093 479 PRO AAA CD  
1198 N N   . CYS A 162 ? 0.953 0.606 0.790 0.061  0.239  -0.046 480 CYS AAA N   
1199 C CA  . CYS A 162 ? 0.942 0.618 0.754 0.058  0.228  -0.048 480 CYS AAA CA  
1200 C C   . CYS A 162 ? 0.967 0.663 0.797 0.075  0.254  -0.034 480 CYS AAA C   
1201 O O   . CYS A 162 ? 0.987 0.669 0.783 0.074  0.263  -0.043 480 CYS AAA O   
1202 C CB  . CYS A 162 ? 0.890 0.612 0.720 0.048  0.196  -0.038 480 CYS AAA CB  
1203 S SG  . CYS A 162 ? 0.917 0.618 0.732 0.027  0.168  -0.056 480 CYS AAA SG  
1204 N N   . ASN A 163 ? 0.918 0.648 0.801 0.092  0.265  -0.013 481 ASN AAA N   
1205 C CA  . ASN A 163 ? 0.896 0.658 0.810 0.110  0.287  -0.001 481 ASN AAA CA  
1206 C C   . ASN A 163 ? 0.862 0.659 0.772 0.100  0.277  -0.002 481 ASN AAA C   
1207 O O   . ASN A 163 ? 0.919 0.716 0.829 0.106  0.300  -0.004 481 ASN AAA O   
1208 C CB  . ASN A 163 ? 0.964 0.678 0.858 0.121  0.323  -0.010 481 ASN AAA CB  
1209 C CG  . ASN A 163 ? 1.036 0.707 0.934 0.131  0.340  -0.010 481 ASN AAA CG  
1210 O OD1 . ASN A 163 ? 1.000 0.689 0.931 0.137  0.332  0.005  481 ASN AAA OD1 
1211 N ND2 . ASN A 163 ? 1.129 0.742 0.992 0.132  0.366  -0.027 481 ASN AAA ND2 
1212 N N   . GLY A 164 ? 0.802 0.623 0.710 0.085  0.246  -0.001 482 GLY AAA N   
1213 C CA  . GLY A 164 ? 0.787 0.642 0.697 0.076  0.237  -0.001 482 GLY AAA CA  
1214 C C   . GLY A 164 ? 0.828 0.640 0.679 0.065  0.241  -0.015 482 GLY AAA C   
1215 O O   . GLY A 164 ? 0.825 0.655 0.674 0.057  0.239  -0.014 482 GLY AAA O   
1216 N N   . VAL A 165 ? 0.909 0.665 0.711 0.064  0.248  -0.029 483 VAL AAA N   
1217 C CA  . VAL A 165 ? 0.874 0.586 0.608 0.058  0.249  -0.043 483 VAL AAA CA  
1218 C C   . VAL A 165 ? 0.840 0.547 0.547 0.045  0.213  -0.050 483 VAL AAA C   
1219 O O   . VAL A 165 ? 0.831 0.525 0.541 0.041  0.201  -0.058 483 VAL AAA O   
1220 C CB  . VAL A 165 ? 0.934 0.591 0.627 0.066  0.275  -0.057 483 VAL AAA CB  
1221 C CG1 . VAL A 165 ? 1.017 0.631 0.633 0.063  0.277  -0.070 483 VAL AAA CG1 
1222 C CG2 . VAL A 165 ? 0.927 0.593 0.657 0.081  0.311  -0.048 483 VAL AAA CG2 
1223 N N   . GLU A 166 ? 0.836 0.554 0.523 0.039  0.198  -0.047 484 GLU AAA N   
1224 C CA  . GLU A 166 ? 0.847 0.558 0.502 0.029  0.165  -0.056 484 GLU AAA CA  
1225 C C   . GLU A 166 ? 0.953 0.612 0.541 0.031  0.166  -0.076 484 GLU AAA C   
1226 O O   . GLU A 166 ? 0.972 0.599 0.523 0.039  0.193  -0.080 484 GLU AAA O   
1227 C CB  . GLU A 166 ? 0.842 0.570 0.486 0.027  0.156  -0.046 484 GLU AAA CB  
1228 C CG  . GLU A 166 ? 0.808 0.587 0.513 0.022  0.151  -0.031 484 GLU AAA CG  
1229 C CD  . GLU A 166 ? 0.786 0.576 0.481 0.019  0.147  -0.023 484 GLU AAA CD  
1230 O OE1 . GLU A 166 ? 0.843 0.600 0.485 0.023  0.154  -0.025 484 GLU AAA OE1 
1231 O OE2 . GLU A 166 ? 0.788 0.617 0.527 0.013  0.138  -0.015 484 GLU AAA OE2 
1232 N N   . GLY A 167 ? 0.944 0.595 0.519 0.022  0.139  -0.091 485 GLY AAA N   
1233 C CA  . GLY A 167 ? 1.038 0.648 0.549 0.021  0.131  -0.116 485 GLY AAA CA  
1234 C C   . GLY A 167 ? 1.066 0.688 0.583 0.007  0.095  -0.131 485 GLY AAA C   
1235 O O   . GLY A 167 ? 0.977 0.637 0.537 0.002  0.075  -0.118 485 GLY AAA O   
1236 N N   . PHE A 168 ? 1.182 0.773 0.659 0.002  0.086  -0.159 486 PHE AAA N   
1237 C CA  . PHE A 168 ? 1.264 0.865 0.758 -0.014 0.055  -0.180 486 PHE AAA CA  
1238 C C   . PHE A 168 ? 1.172 0.784 0.741 -0.022 0.066  -0.172 486 PHE AAA C   
1239 O O   . PHE A 168 ? 1.144 0.734 0.728 -0.017 0.098  -0.168 486 PHE AAA O   
1240 C CB  . PHE A 168 ? 1.428 0.989 0.863 -0.019 0.049  -0.217 486 PHE AAA CB  
1241 C CG  . PHE A 168 ? 1.539 1.105 1.001 -0.039 0.026  -0.246 486 PHE AAA CG  
1242 C CD1 . PHE A 168 ? 1.555 1.164 1.044 -0.049 -0.011 -0.247 486 PHE AAA CD1 
1243 C CD2 . PHE A 168 ? 1.662 1.190 1.127 -0.050 0.043  -0.273 486 PHE AAA CD2 
1244 C CE1 . PHE A 168 ? 1.579 1.195 1.101 -0.070 -0.031 -0.275 486 PHE AAA CE1 
1245 C CE2 . PHE A 168 ? 1.673 1.204 1.169 -0.072 0.025  -0.302 486 PHE AAA CE2 
1246 C CZ  . PHE A 168 ? 1.656 1.233 1.182 -0.082 -0.013 -0.304 486 PHE AAA CZ  
1247 N N   . ASN A 169 ? 1.145 0.794 0.760 -0.033 0.042  -0.166 487 ASN AAA N   
1248 C CA  . ASN A 169 ? 1.166 0.826 0.850 -0.039 0.052  -0.156 487 ASN AAA CA  
1249 C C   . ASN A 169 ? 1.079 0.751 0.792 -0.024 0.079  -0.125 487 ASN AAA C   
1250 O O   . ASN A 169 ? 1.045 0.714 0.802 -0.023 0.097  -0.116 487 ASN AAA O   
1251 C CB  . ASN A 169 ? 1.304 0.925 0.996 -0.050 0.065  -0.181 487 ASN AAA CB  
1252 C CG  . ASN A 169 ? 1.434 1.056 1.127 -0.071 0.037  -0.213 487 ASN AAA CG  
1253 O OD1 . ASN A 169 ? 1.503 1.091 1.189 -0.083 0.045  -0.243 487 ASN AAA OD1 
1254 N ND2 . ASN A 169 ? 1.446 1.110 1.151 -0.076 0.005  -0.208 487 ASN AAA ND2 
1255 N N   . CYS A 170 ? 0.936 0.624 0.630 -0.013 0.083  -0.110 488 CYS AAA N   
1256 C CA  . CYS A 170 ? 0.843 0.553 0.569 -0.001 0.104  -0.083 488 CYS AAA CA  
1257 C C   . CYS A 170 ? 0.767 0.513 0.494 0.001  0.090  -0.069 488 CYS AAA C   
1258 O O   . CYS A 170 ? 0.799 0.536 0.490 0.006  0.097  -0.068 488 CYS AAA O   
1259 C CB  . CYS A 170 ? 0.850 0.531 0.557 0.012  0.136  -0.085 488 CYS AAA CB  
1260 S SG  . CYS A 170 ? 0.925 0.571 0.654 0.015  0.163  -0.093 488 CYS AAA SG  
1261 N N   . TYR A 171 ? 0.722 0.504 0.488 -0.004 0.073  -0.057 489 TYR AAA N   
1262 C CA  . TYR A 171 ? 0.729 0.539 0.491 -0.007 0.055  -0.048 489 TYR AAA CA  
1263 C C   . TYR A 171 ? 0.664 0.511 0.467 -0.002 0.065  -0.028 489 TYR AAA C   
1264 O O   . TYR A 171 ? 0.674 0.540 0.518 0.000  0.069  -0.019 489 TYR AAA O   
1265 C CB  . TYR A 171 ? 0.725 0.549 0.501 -0.017 0.027  -0.053 489 TYR AAA CB  
1266 C CG  . TYR A 171 ? 0.781 0.578 0.526 -0.025 0.013  -0.077 489 TYR AAA CG  
1267 C CD1 . TYR A 171 ? 0.861 0.633 0.548 -0.020 0.011  -0.090 489 TYR AAA CD1 
1268 C CD2 . TYR A 171 ? 0.797 0.595 0.573 -0.036 0.003  -0.088 489 TYR AAA CD2 
1269 C CE1 . TYR A 171 ? 0.930 0.680 0.585 -0.027 -0.005 -0.116 489 TYR AAA CE1 
1270 C CE2 . TYR A 171 ? 0.827 0.604 0.581 -0.046 -0.011 -0.115 489 TYR AAA CE2 
1271 C CZ  . TYR A 171 ? 0.913 0.668 0.605 -0.041 -0.017 -0.130 489 TYR AAA CZ  
1272 O OH  . TYR A 171 ? 1.034 0.773 0.701 -0.051 -0.034 -0.160 489 TYR AAA OH  
1273 N N   . PHE A 172 ? 0.643 0.501 0.433 -0.000 0.068  -0.022 490 PHE AAA N   
1274 C CA  . PHE A 172 ? 0.616 0.514 0.442 -0.001 0.068  -0.009 490 PHE AAA CA  
1275 C C   . PHE A 172 ? 0.615 0.534 0.465 -0.008 0.045  -0.005 490 PHE AAA C   
1276 O O   . PHE A 172 ? 0.678 0.586 0.509 -0.013 0.027  -0.011 490 PHE AAA O   
1277 C CB  . PHE A 172 ? 0.623 0.518 0.426 -0.002 0.075  -0.007 490 PHE AAA CB  
1278 C CG  . PHE A 172 ? 0.612 0.547 0.457 -0.004 0.083  0.002  490 PHE AAA CG  
1279 C CD1 . PHE A 172 ? 0.633 0.588 0.509 -0.000 0.102  0.003  490 PHE AAA CD1 
1280 C CD2 . PHE A 172 ? 0.566 0.521 0.422 -0.011 0.071  0.006  490 PHE AAA CD2 
1281 C CE1 . PHE A 172 ? 0.602 0.600 0.519 -0.004 0.106  0.006  490 PHE AAA CE1 
1282 C CE2 . PHE A 172 ? 0.581 0.573 0.474 -0.015 0.078  0.009  490 PHE AAA CE2 
1283 C CZ  . PHE A 172 ? 0.553 0.568 0.476 -0.012 0.094  0.008  490 PHE AAA CZ  
1284 N N   . PRO A 173 ? 0.565 0.517 0.457 -0.006 0.045  0.005  491 PRO AAA N   
1285 C CA  . PRO A 173 ? 0.542 0.508 0.456 -0.011 0.028  0.010  491 PRO AAA CA  
1286 C C   . PRO A 173 ? 0.535 0.524 0.454 -0.017 0.015  0.014  491 PRO AAA C   
1287 O O   . PRO A 173 ? 0.552 0.549 0.486 -0.021 0.002  0.016  491 PRO AAA O   
1288 C CB  . PRO A 173 ? 0.517 0.506 0.466 -0.002 0.038  0.022  491 PRO AAA CB  
1289 C CG  . PRO A 173 ? 0.557 0.566 0.512 0.004  0.053  0.024  491 PRO AAA CG  
1290 C CD  . PRO A 173 ? 0.562 0.540 0.483 0.002  0.061  0.013  491 PRO AAA CD  
1291 N N   . LEU A 174 ? 0.510 0.505 0.418 -0.017 0.020  0.014  492 LEU AAA N   
1292 C CA  . LEU A 174 ? 0.495 0.506 0.406 -0.022 0.012  0.018  492 LEU AAA CA  
1293 C C   . LEU A 174 ? 0.553 0.537 0.426 -0.022 0.007  0.014  492 LEU AAA C   
1294 O O   . LEU A 174 ? 0.573 0.531 0.415 -0.018 0.017  0.009  492 LEU AAA O   
1295 C CB  . LEU A 174 ? 0.495 0.531 0.423 -0.023 0.025  0.020  492 LEU AAA CB  
1296 C CG  . LEU A 174 ? 0.490 0.561 0.453 -0.019 0.030  0.023  492 LEU AAA CG  
1297 C CD1 . LEU A 174 ? 0.489 0.590 0.471 -0.024 0.039  0.020  492 LEU AAA CD1 
1298 C CD2 . LEU A 174 ? 0.458 0.543 0.438 -0.017 0.018  0.031  492 LEU AAA CD2 
1299 N N   . GLN A 175 ? 0.539 0.530 0.414 -0.023 -0.007 0.017  493 GLN AAA N   
1300 C CA  . GLN A 175 ? 0.605 0.576 0.444 -0.019 -0.013 0.017  493 GLN AAA CA  
1301 C C   . GLN A 175 ? 0.605 0.587 0.454 -0.020 -0.009 0.025  493 GLN AAA C   
1302 O O   . GLN A 175 ? 0.547 0.556 0.432 -0.025 -0.011 0.028  493 GLN AAA O   
1303 C CB  . GLN A 175 ? 0.657 0.624 0.489 -0.018 -0.037 0.011  493 GLN AAA CB  
1304 C CG  . GLN A 175 ? 0.716 0.669 0.509 -0.009 -0.049 0.012  493 GLN AAA CG  
1305 C CD  . GLN A 175 ? 0.746 0.665 0.487 -0.000 -0.036 0.010  493 GLN AAA CD  
1306 O OE1 . GLN A 175 ? 0.677 0.582 0.406 0.002  -0.012 0.017  493 GLN AAA OE1 
1307 N NE2 . GLN A 175 ? 0.754 0.659 0.465 0.003  -0.050 -0.002 493 GLN AAA NE2 
1308 N N   . SER A 176 ? 0.581 0.541 0.398 -0.013 -0.000 0.029  494 SER AAA N   
1309 C CA  . SER A 176 ? 0.584 0.545 0.406 -0.012 0.007  0.036  494 SER AAA CA  
1310 C C   . SER A 176 ? 0.605 0.572 0.426 -0.005 -0.015 0.042  494 SER AAA C   
1311 O O   . SER A 176 ? 0.655 0.614 0.451 0.003  -0.032 0.040  494 SER AAA O   
1312 C CB  . SER A 176 ? 0.597 0.527 0.386 -0.007 0.032  0.041  494 SER AAA CB  
1313 O OG  . SER A 176 ? 0.716 0.618 0.458 0.006  0.026  0.043  494 SER AAA OG  
1314 N N   . TYR A 177 ? 0.624 0.609 0.473 -0.009 -0.014 0.046  495 TYR AAA N   
1315 C CA  . TYR A 177 ? 0.648 0.633 0.494 0.001  -0.025 0.055  495 TYR AAA CA  
1316 C C   . TYR A 177 ? 0.688 0.639 0.493 0.014  -0.008 0.064  495 TYR AAA C   
1317 O O   . TYR A 177 ? 0.759 0.692 0.556 0.009  0.018  0.063  495 TYR AAA O   
1318 C CB  . TYR A 177 ? 0.589 0.594 0.472 -0.005 -0.019 0.058  495 TYR AAA CB  
1319 C CG  . TYR A 177 ? 0.555 0.591 0.475 -0.014 -0.031 0.053  495 TYR AAA CG  
1320 C CD1 . TYR A 177 ? 0.574 0.624 0.510 -0.012 -0.053 0.053  495 TYR AAA CD1 
1321 C CD2 . TYR A 177 ? 0.496 0.546 0.436 -0.025 -0.020 0.048  495 TYR AAA CD2 
1322 C CE1 . TYR A 177 ? 0.506 0.580 0.478 -0.020 -0.058 0.051  495 TYR AAA CE1 
1323 C CE2 . TYR A 177 ? 0.489 0.564 0.458 -0.030 -0.027 0.047  495 TYR AAA CE2 
1324 C CZ  . TYR A 177 ? 0.508 0.591 0.492 -0.028 -0.044 0.050  495 TYR AAA CZ  
1325 O OH  . TYR A 177 ? 0.465 0.567 0.476 -0.032 -0.045 0.051  495 TYR AAA OH  
1326 N N   . GLY A 178 ? 0.646 0.588 0.425 0.031  -0.021 0.073  496 GLY AAA N   
1327 C CA  . GLY A 178 ? 0.765 0.670 0.504 0.047  0.000  0.086  496 GLY AAA CA  
1328 C C   . GLY A 178 ? 0.752 0.657 0.504 0.057  0.005  0.099  496 GLY AAA C   
1329 O O   . GLY A 178 ? 0.980 0.886 0.713 0.077  -0.012 0.109  496 GLY AAA O   
1330 N N   . PHE A 179 ? 0.705 0.613 0.490 0.043  0.027  0.096  497 PHE AAA N   
1331 C CA  . PHE A 179 ? 0.699 0.610 0.504 0.050  0.032  0.105  497 PHE AAA CA  
1332 C C   . PHE A 179 ? 0.754 0.622 0.521 0.071  0.055  0.123  497 PHE AAA C   
1333 O O   . PHE A 179 ? 0.743 0.578 0.496 0.066  0.088  0.123  497 PHE AAA O   
1334 C CB  . PHE A 179 ? 0.694 0.620 0.541 0.029  0.047  0.093  497 PHE AAA CB  
1335 C CG  . PHE A 179 ? 0.609 0.576 0.490 0.015  0.024  0.082  497 PHE AAA CG  
1336 C CD1 . PHE A 179 ? 0.583 0.575 0.480 0.022  -0.002 0.086  497 PHE AAA CD1 
1337 C CD2 . PHE A 179 ? 0.577 0.558 0.476 -0.004 0.032  0.068  497 PHE AAA CD2 
1338 C CE1 . PHE A 179 ? 0.616 0.640 0.545 0.010  -0.017 0.077  497 PHE AAA CE1 
1339 C CE2 . PHE A 179 ? 0.534 0.549 0.461 -0.013 0.015  0.061  497 PHE AAA CE2 
1340 C CZ  . PHE A 179 ? 0.560 0.593 0.501 -0.006 -0.008 0.067  497 PHE AAA CZ  
1341 N N   . GLN A 180 ? 0.789 0.660 0.542 0.096  0.038  0.139  498 GLN AAA N   
1342 C CA  . GLN A 180 ? 0.871 0.703 0.590 0.123  0.059  0.161  498 GLN AAA CA  
1343 C C   . GLN A 180 ? 0.828 0.674 0.581 0.132  0.058  0.170  498 GLN AAA C   
1344 O O   . GLN A 180 ? 0.771 0.661 0.558 0.130  0.029  0.165  498 GLN AAA O   
1345 C CB  . GLN A 180 ? 0.911 0.735 0.576 0.152  0.039  0.175  498 GLN AAA CB  
1346 C CG  . GLN A 180 ? 1.006 0.811 0.631 0.146  0.042  0.167  498 GLN AAA CG  
1347 C CD  . GLN A 180 ? 1.093 0.884 0.654 0.177  0.026  0.181  498 GLN AAA CD  
1348 O OE1 . GLN A 180 ? 1.141 0.891 0.657 0.203  0.050  0.203  498 GLN AAA OE1 
1349 N NE2 . GLN A 180 ? 1.067 0.895 0.626 0.177  -0.016 0.169  498 GLN AAA NE2 
1350 N N   . PRO A 181 ? 0.851 0.658 0.596 0.144  0.095  0.184  499 PRO AAA N   
1351 C CA  . PRO A 181 ? 0.829 0.644 0.608 0.151  0.100  0.191  499 PRO AAA CA  
1352 C C   . PRO A 181 ? 0.872 0.717 0.651 0.183  0.067  0.209  499 PRO AAA C   
1353 O O   . PRO A 181 ? 0.860 0.727 0.678 0.186  0.063  0.211  499 PRO AAA O   
1354 C CB  . PRO A 181 ? 0.880 0.636 0.643 0.156  0.151  0.201  499 PRO AAA CB  
1355 C CG  . PRO A 181 ? 0.949 0.665 0.658 0.166  0.166  0.211  499 PRO AAA CG  
1356 C CD  . PRO A 181 ? 0.862 0.611 0.569 0.147  0.136  0.193  499 PRO AAA CD  
1357 N N   . THR A 182 ? 0.904 0.750 0.640 0.206  0.045  0.220  500 THR AAA N   
1358 C CA  . THR A 182 ? 0.907 0.788 0.638 0.238  0.008  0.235  500 THR AAA CA  
1359 C C   . THR A 182 ? 0.843 0.783 0.604 0.221  -0.039 0.213  500 THR AAA C   
1360 O O   . THR A 182 ? 0.835 0.813 0.599 0.242  -0.075 0.218  500 THR AAA O   
1361 C CB  . THR A 182 ? 0.973 0.822 0.633 0.273  0.008  0.257  500 THR AAA CB  
1362 O OG1 . THR A 182 ? 0.965 0.794 0.588 0.256  0.011  0.243  500 THR AAA OG1 
1363 C CG2 . THR A 182 ? 1.023 0.813 0.655 0.298  0.055  0.284  500 THR AAA CG2 
1364 N N   . ASN A 183 ? 0.817 0.767 0.603 0.185  -0.039 0.189  501 ASN AAA N   
1365 C CA  . ASN A 183 ? 0.755 0.757 0.576 0.167  -0.077 0.169  501 ASN AAA CA  
1366 C C   . ASN A 183 ? 0.740 0.785 0.620 0.171  -0.092 0.171  501 ASN AAA C   
1367 O O   . ASN A 183 ? 0.710 0.743 0.612 0.175  -0.067 0.182  501 ASN AAA O   
1368 C CB  . ASN A 183 ? 0.747 0.748 0.586 0.132  -0.068 0.148  501 ASN AAA CB  
1369 C CG  . ASN A 183 ? 0.757 0.729 0.550 0.125  -0.060 0.141  501 ASN AAA CG  
1370 O OD1 . ASN A 183 ? 0.790 0.756 0.595 0.100  -0.046 0.128  501 ASN AAA OD1 
1371 N ND2 . ASN A 183 ? 0.751 0.705 0.491 0.148  -0.068 0.151  501 ASN AAA ND2 
1372 N N   . GLY A 184 ? 0.700 0.794 0.608 0.169  -0.130 0.160  502 GLY AAA N   
1373 C CA  . GLY A 184 ? 0.691 0.832 0.668 0.163  -0.143 0.155  502 GLY AAA CA  
1374 C C   . GLY A 184 ? 0.634 0.764 0.642 0.134  -0.116 0.146  502 GLY AAA C   
1375 O O   . GLY A 184 ? 0.567 0.674 0.553 0.114  -0.104 0.136  502 GLY AAA O   
1376 N N   . VAL A 185 ? 0.638 0.786 0.694 0.134  -0.105 0.151  503 VAL AAA N   
1377 C CA  . VAL A 185 ? 0.636 0.769 0.712 0.112  -0.075 0.146  503 VAL AAA CA  
1378 C C   . VAL A 185 ? 0.581 0.730 0.674 0.084  -0.085 0.127  503 VAL AAA C   
1379 O O   . VAL A 185 ? 0.643 0.774 0.730 0.067  -0.064 0.120  503 VAL AAA O   
1380 C CB  . VAL A 185 ? 0.657 0.803 0.776 0.121  -0.061 0.155  503 VAL AAA CB  
1381 C CG1 . VAL A 185 ? 0.725 0.860 0.859 0.098  -0.033 0.146  503 VAL AAA CG1 
1382 C CG2 . VAL A 185 ? 0.692 0.812 0.790 0.150  -0.044 0.175  503 VAL AAA CG2 
1383 N N   . GLY A 186 ? 0.567 0.749 0.681 0.081  -0.115 0.118  504 GLY AAA N   
1384 C CA  . GLY A 186 ? 0.586 0.779 0.715 0.057  -0.123 0.102  504 GLY AAA CA  
1385 C C   . GLY A 186 ? 0.617 0.777 0.698 0.048  -0.116 0.095  504 GLY AAA C   
1386 O O   . GLY A 186 ? 0.639 0.798 0.729 0.029  -0.109 0.086  504 GLY AAA O   
1387 N N   . TYR A 187 ? 0.660 0.796 0.693 0.063  -0.116 0.102  505 TYR AAA N   
1388 C CA  . TYR A 187 ? 0.680 0.783 0.665 0.057  -0.107 0.096  505 TYR AAA CA  
1389 C C   . TYR A 187 ? 0.634 0.704 0.597 0.057  -0.073 0.104  505 TYR AAA C   
1390 O O   . TYR A 187 ? 0.639 0.683 0.569 0.051  -0.061 0.100  505 TYR AAA O   
1391 C CB  . TYR A 187 ? 0.776 0.873 0.719 0.072  -0.128 0.096  505 TYR AAA CB  
1392 C CG  . TYR A 187 ? 0.868 0.991 0.824 0.063  -0.157 0.079  505 TYR AAA CG  
1393 C CD1 . TYR A 187 ? 0.890 1.055 0.887 0.066  -0.184 0.074  505 TYR AAA CD1 
1394 C CD2 . TYR A 187 ? 0.948 1.054 0.881 0.049  -0.156 0.066  505 TYR AAA CD2 
1395 C CE1 . TYR A 187 ? 0.944 1.131 0.957 0.053  -0.209 0.054  505 TYR AAA CE1 
1396 C CE2 . TYR A 187 ? 0.997 1.120 0.941 0.038  -0.179 0.048  505 TYR AAA CE2 
1397 C CZ  . TYR A 187 ? 1.035 1.199 1.020 0.039  -0.206 0.040  505 TYR AAA CZ  
1398 O OH  . TYR A 187 ? 1.045 1.224 1.045 0.025  -0.226 0.018  505 TYR AAA OH  
1399 N N   . GLN A 188 ? 0.564 0.633 0.547 0.062  -0.057 0.113  506 GLN AAA N   
1400 C CA  . GLN A 188 ? 0.596 0.634 0.566 0.057  -0.023 0.114  506 GLN AAA CA  
1401 C C   . GLN A 188 ? 0.573 0.619 0.561 0.033  -0.012 0.100  506 GLN AAA C   
1402 O O   . GLN A 188 ? 0.517 0.592 0.535 0.024  -0.025 0.094  506 GLN AAA O   
1403 C CB  . GLN A 188 ? 0.624 0.655 0.608 0.072  -0.008 0.127  506 GLN AAA CB  
1404 C CG  . GLN A 188 ? 0.599 0.616 0.558 0.101  -0.012 0.145  506 GLN AAA CG  
1405 C CD  . GLN A 188 ? 0.627 0.630 0.598 0.117  0.010  0.159  506 GLN AAA CD  
1406 O OE1 . GLN A 188 ? 0.568 0.567 0.563 0.104  0.032  0.152  506 GLN AAA OE1 
1407 N NE2 . GLN A 188 ? 0.605 0.601 0.560 0.148  0.005  0.179  506 GLN AAA NE2 
1408 N N   . PRO A 189 ? 0.548 0.571 0.518 0.023  0.012  0.093  507 PRO AAA N   
1409 C CA  . PRO A 189 ? 0.488 0.525 0.473 0.003  0.019  0.079  507 PRO AAA CA  
1410 C C   . PRO A 189 ? 0.507 0.558 0.519 -0.002 0.028  0.077  507 PRO AAA C   
1411 O O   . PRO A 189 ? 0.461 0.499 0.476 0.007  0.042  0.083  507 PRO AAA O   
1412 C CB  . PRO A 189 ? 0.486 0.497 0.449 -0.006 0.042  0.071  507 PRO AAA CB  
1413 C CG  . PRO A 189 ? 0.590 0.567 0.535 0.010  0.059  0.083  507 PRO AAA CG  
1414 C CD  . PRO A 189 ? 0.591 0.576 0.531 0.030  0.035  0.098  507 PRO AAA CD  
1415 N N   . TYR A 190 ? 0.481 0.558 0.511 -0.012 0.022  0.070  508 TYR AAA N   
1416 C CA  . TYR A 190 ? 0.478 0.568 0.525 -0.018 0.034  0.065  508 TYR AAA CA  
1417 C C   . TYR A 190 ? 0.470 0.570 0.509 -0.032 0.041  0.050  508 TYR AAA C   
1418 O O   . TYR A 190 ? 0.456 0.569 0.493 -0.036 0.029  0.048  508 TYR AAA O   
1419 C CB  . TYR A 190 ? 0.472 0.585 0.548 -0.013 0.022  0.073  508 TYR AAA CB  
1420 C CG  . TYR A 190 ? 0.504 0.616 0.598 0.001  0.019  0.085  508 TYR AAA CG  
1421 C CD1 . TYR A 190 ? 0.509 0.612 0.594 0.013  0.006  0.093  508 TYR AAA CD1 
1422 C CD2 . TYR A 190 ? 0.443 0.565 0.562 0.005  0.030  0.090  508 TYR AAA CD2 
1423 C CE1 . TYR A 190 ? 0.523 0.632 0.626 0.029  0.001  0.105  508 TYR AAA CE1 
1424 C CE2 . TYR A 190 ? 0.507 0.632 0.648 0.020  0.028  0.101  508 TYR AAA CE2 
1425 C CZ  . TYR A 190 ? 0.468 0.590 0.603 0.033  0.012  0.109  508 TYR AAA CZ  
1426 O OH  . TYR A 190 ? 0.459 0.590 0.617 0.051  0.007  0.121  508 TYR AAA OH  
1427 N N   . ARG A 191 ? 0.488 0.584 0.525 -0.039 0.059  0.039  509 ARG AAA N   
1428 C CA  . ARG A 191 ? 0.464 0.582 0.498 -0.051 0.062  0.023  509 ARG AAA CA  
1429 C C   . ARG A 191 ? 0.459 0.601 0.501 -0.047 0.055  0.029  509 ARG AAA C   
1430 O O   . ARG A 191 ? 0.490 0.628 0.544 -0.040 0.061  0.037  509 ARG AAA O   
1431 C CB  . ARG A 191 ? 0.507 0.611 0.534 -0.061 0.084  0.005  509 ARG AAA CB  
1432 C CG  . ARG A 191 ? 0.476 0.560 0.495 -0.068 0.093  -0.002 509 ARG AAA CG  
1433 C CD  . ARG A 191 ? 0.506 0.572 0.524 -0.081 0.119  -0.022 509 ARG AAA CD  
1434 N NE  . ARG A 191 ? 0.495 0.543 0.508 -0.087 0.128  -0.026 509 ARG AAA NE  
1435 C CZ  . ARG A 191 ? 0.542 0.582 0.561 -0.104 0.149  -0.048 509 ARG AAA CZ  
1436 N NH1 . ARG A 191 ? 0.568 0.615 0.594 -0.118 0.162  -0.071 509 ARG AAA NH1 
1437 N NH2 . ARG A 191 ? 0.540 0.561 0.556 -0.108 0.159  -0.048 509 ARG AAA NH2 
1438 N N   . VAL A 192 ? 0.438 0.604 0.477 -0.049 0.045  0.026  510 VAL AAA N   
1439 C CA  . VAL A 192 ? 0.433 0.619 0.476 -0.043 0.042  0.034  510 VAL AAA CA  
1440 C C   . VAL A 192 ? 0.459 0.669 0.485 -0.046 0.044  0.020  510 VAL AAA C   
1441 O O   . VAL A 192 ? 0.426 0.650 0.447 -0.051 0.037  0.010  510 VAL AAA O   
1442 C CB  . VAL A 192 ? 0.482 0.672 0.535 -0.037 0.028  0.049  510 VAL AAA CB  
1443 C CG1 . VAL A 192 ? 0.462 0.667 0.519 -0.030 0.030  0.059  510 VAL AAA CG1 
1444 C CG2 . VAL A 192 ? 0.449 0.622 0.518 -0.034 0.021  0.058  510 VAL AAA CG2 
1445 N N   . VAL A 193 ? 0.434 0.653 0.453 -0.042 0.053  0.020  511 VAL AAA N   
1446 C CA  . VAL A 193 ? 0.498 0.746 0.496 -0.040 0.051  0.009  511 VAL AAA CA  
1447 C C   . VAL A 193 ? 0.489 0.744 0.482 -0.026 0.052  0.030  511 VAL AAA C   
1448 O O   . VAL A 193 ? 0.503 0.743 0.504 -0.022 0.065  0.040  511 VAL AAA O   
1449 C CB  . VAL A 193 ? 0.533 0.783 0.517 -0.050 0.063  -0.015 511 VAL AAA CB  
1450 C CG1 . VAL A 193 ? 0.566 0.851 0.523 -0.046 0.058  -0.027 511 VAL AAA CG1 
1451 C CG2 . VAL A 193 ? 0.475 0.715 0.466 -0.066 0.067  -0.036 511 VAL AAA CG2 
1452 N N   . VAL A 194 ? 0.472 0.748 0.455 -0.017 0.042  0.037  512 VAL AAA N   
1453 C CA  . VAL A 194 ? 0.466 0.747 0.440 -0.000 0.047  0.058  512 VAL AAA CA  
1454 C C   . VAL A 194 ? 0.509 0.820 0.447 0.009  0.046  0.049  512 VAL AAA C   
1455 O O   . VAL A 194 ? 0.517 0.857 0.446 0.009  0.031  0.038  512 VAL AAA O   
1456 C CB  . VAL A 194 ? 0.483 0.761 0.471 0.006  0.040  0.077  512 VAL AAA CB  
1457 C CG1 . VAL A 194 ? 0.491 0.767 0.471 0.023  0.051  0.100  512 VAL AAA CG1 
1458 C CG2 . VAL A 194 ? 0.450 0.703 0.470 -0.004 0.037  0.080  512 VAL AAA CG2 
1459 N N   . LEU A 195 ? 0.495 0.803 0.414 0.016  0.061  0.054  513 LEU AAA N   
1460 C CA  . LEU A 195 ? 0.550 0.885 0.425 0.029  0.061  0.046  513 LEU AAA CA  
1461 C C   . LEU A 195 ? 0.582 0.917 0.440 0.053  0.068  0.077  513 LEU AAA C   
1462 O O   . LEU A 195 ? 0.627 0.934 0.494 0.057  0.088  0.096  513 LEU AAA O   
1463 C CB  . LEU A 195 ? 0.578 0.901 0.437 0.023  0.078  0.032  513 LEU AAA CB  
1464 C CG  . LEU A 195 ? 0.599 0.912 0.473 0.001  0.079  0.003  513 LEU AAA CG  
1465 C CD1 . LEU A 195 ? 0.607 0.907 0.462 -0.002 0.099  -0.011 513 LEU AAA CD1 
1466 C CD2 . LEU A 195 ? 0.649 0.995 0.520 -0.010 0.059  -0.024 513 LEU AAA CD2 
1467 N N   . SER A 196 ? 0.603 0.968 0.440 0.068  0.053  0.081  514 SER AAA N   
1468 C CA  . SER A 196 ? 0.632 1.000 0.442 0.096  0.061  0.111  514 SER AAA CA  
1469 C C   . SER A 196 ? 0.736 1.130 0.492 0.112  0.062  0.103  514 SER AAA C   
1470 O O   . SER A 196 ? 0.703 1.137 0.441 0.107  0.041  0.075  514 SER AAA O   
1471 C CB  . SER A 196 ? 0.661 1.047 0.479 0.107  0.046  0.123  514 SER AAA CB  
1472 O OG  . SER A 196 ? 0.636 0.991 0.497 0.097  0.050  0.134  514 SER AAA OG  
1473 N N   . PHE A 197 ? 0.835 1.207 0.565 0.128  0.086  0.125  515 PHE AAA N   
1474 C CA  . PHE A 197 ? 0.878 1.270 0.545 0.150  0.090  0.125  515 PHE AAA CA  
1475 C C   . PHE A 197 ? 0.947 1.349 0.584 0.185  0.091  0.159  515 PHE AAA C   
1476 O O   . PHE A 197 ? 0.921 1.286 0.574 0.195  0.115  0.193  515 PHE AAA O   
1477 C CB  . PHE A 197 ? 0.929 1.287 0.586 0.148  0.121  0.129  515 PHE AAA CB  
1478 C CG  . PHE A 197 ? 0.913 1.254 0.606 0.117  0.124  0.102  515 PHE AAA CG  
1479 C CD1 . PHE A 197 ? 0.886 1.252 0.576 0.099  0.103  0.063  515 PHE AAA CD1 
1480 C CD2 . PHE A 197 ? 0.882 1.184 0.615 0.108  0.148  0.115  515 PHE AAA CD2 
1481 C CE1 . PHE A 197 ? 0.844 1.190 0.566 0.073  0.110  0.041  515 PHE AAA CE1 
1482 C CE2 . PHE A 197 ? 0.822 1.110 0.587 0.084  0.151  0.094  515 PHE AAA CE2 
1483 C CZ  . PHE A 197 ? 0.808 1.115 0.565 0.068  0.133  0.058  515 PHE AAA CZ  
1484 N N   . GLU A 198 ? 1.009 1.462 0.608 0.202  0.066  0.148  516 GLU AAA N   
1485 C CA  . GLU A 198 ? 1.100 1.569 0.662 0.242  0.064  0.181  516 GLU AAA CA  
1486 C C   . GLU A 198 ? 1.166 1.646 0.653 0.271  0.074  0.189  516 GLU AAA C   
1487 O O   . GLU A 198 ? 1.100 1.610 0.556 0.262  0.061  0.154  516 GLU AAA O   
1488 C CB  . GLU A 198 ? 1.144 1.667 0.717 0.246  0.029  0.168  516 GLU AAA CB  
1489 C CG  . GLU A 198 ? 1.144 1.657 0.786 0.218  0.020  0.157  516 GLU AAA CG  
1490 C CD  . GLU A 198 ? 1.088 1.547 0.772 0.215  0.043  0.188  516 GLU AAA CD  
1491 O OE1 . GLU A 198 ? 1.108 1.548 0.842 0.186  0.040  0.174  516 GLU AAA OE1 
1492 O OE2 . GLU A 198 ? 1.106 1.538 0.770 0.241  0.066  0.225  516 GLU AAA OE2 
1493 N N   . LEU A 199 ? 1.259 1.710 0.718 0.303  0.102  0.233  517 LEU AAA N   
1494 C CA  . LEU A 199 ? 1.434 1.892 0.810 0.342  0.114  0.252  517 LEU AAA CA  
1495 C C   . LEU A 199 ? 1.509 1.976 0.858 0.386  0.115  0.293  517 LEU AAA C   
1496 O O   . LEU A 199 ? 1.407 1.828 0.791 0.390  0.140  0.327  517 LEU AAA O   
1497 C CB  . LEU A 199 ? 1.457 1.855 0.823 0.341  0.159  0.271  517 LEU AAA CB  
1498 C CG  . LEU A 199 ? 1.475 1.877 0.812 0.325  0.163  0.238  517 LEU AAA CG  
1499 C CD1 . LEU A 199 ? 1.486 1.832 0.806 0.335  0.213  0.266  517 LEU AAA CD1 
1500 C CD2 . LEU A 199 ? 1.480 1.939 0.742 0.344  0.134  0.213  517 LEU AAA CD2 
1501 N N   . LEU A 200 ? 1.680 2.206 0.971 0.417  0.087  0.289  518 LEU AAA N   
1502 C CA  . LEU A 200 ? 1.895 2.432 1.143 0.469  0.089  0.333  518 LEU AAA CA  
1503 C C   . LEU A 200 ? 2.139 2.729 1.295 0.506  0.070  0.327  518 LEU AAA C   
1504 O O   . LEU A 200 ? 1.971 2.593 1.109 0.484  0.050  0.282  518 LEU AAA O   
1505 C CB  . LEU A 200 ? 1.870 2.438 1.170 0.468  0.062  0.333  518 LEU AAA CB  
1506 C CG  . LEU A 200 ? 1.806 2.422 1.161 0.426  0.023  0.280  518 LEU AAA CG  
1507 C CD1 . LEU A 200 ? 1.868 2.570 1.181 0.441  -0.021 0.249  518 LEU AAA CD1 
1508 C CD2 . LEU A 200 ? 1.639 2.248 1.065 0.414  0.018  0.287  518 LEU AAA CD2 
1567 N N   . GLN B 1   ? 1.312 1.567 1.356 -0.004 0.013  0.150  1   GLN BBB N   
1568 C CA  . GLN B 1   ? 1.335 1.532 1.359 -0.019 0.005  0.118  1   GLN BBB CA  
1569 C C   . GLN B 1   ? 1.269 1.410 1.282 -0.039 0.003  0.092  1   GLN BBB C   
1570 O O   . GLN B 1   ? 1.278 1.390 1.278 -0.050 0.001  0.086  1   GLN BBB O   
1571 C CB  . GLN B 1   ? 1.415 1.626 1.453 -0.043 -0.007 0.141  1   GLN BBB CB  
1572 C CG  . GLN B 1   ? 1.521 1.709 1.541 -0.036 -0.005 0.127  1   GLN BBB CG  
1573 C CD  . GLN B 1   ? 1.544 1.706 1.545 -0.056 -0.021 0.125  1   GLN BBB CD  
1574 O OE1 . GLN B 1   ? 1.384 1.516 1.359 -0.047 -0.012 0.112  1   GLN BBB OE1 
1575 N NE2 . GLN B 1   ? 1.472 1.649 1.489 -0.075 -0.050 0.144  1   GLN BBB NE2 
1576 N N   . VAL B 2   ? 1.131 1.264 1.144 -0.034 0.006  0.082  2   VAL BBB N   
1577 C CA  . VAL B 2   ? 1.057 1.146 1.064 -0.044 0.008  0.062  2   VAL BBB CA  
1578 C C   . VAL B 2   ? 1.047 1.128 1.057 -0.024 0.006  0.047  2   VAL BBB C   
1579 O O   . VAL B 2   ? 1.022 1.137 1.022 0.003  0.007  0.052  2   VAL BBB O   
1580 C CB  . VAL B 2   ? 1.058 1.130 1.055 -0.067 0.000  0.065  2   VAL BBB CB  
1581 C CG1 . VAL B 2   ? 1.091 1.147 1.067 -0.076 -0.017 0.068  2   VAL BBB CG1 
1582 C CG2 . VAL B 2   ? 1.100 1.203 1.122 -0.074 -0.007 0.084  2   VAL BBB CG2 
1583 N N   . GLN B 3   ? 1.070 1.116 1.095 -0.029 0.003  0.036  3   GLN BBB N   
1584 C CA  . GLN B 3   ? 1.083 1.108 1.117 -0.016 -0.011 0.019  3   GLN BBB CA  
1585 C C   . GLN B 3   ? 1.004 1.022 1.042 -0.036 0.004  0.024  3   GLN BBB C   
1586 O O   . GLN B 3   ? 0.915 0.929 0.949 -0.049 0.019  0.036  3   GLN BBB O   
1587 C CB  . GLN B 3   ? 1.184 1.171 1.260 -0.008 -0.042 0.013  3   GLN BBB CB  
1588 C CG  . GLN B 3   ? 1.338 1.288 1.412 0.021  -0.083 -0.016 3   GLN BBB CG  
1589 C CD  . GLN B 3   ? 1.443 1.337 1.557 0.036  -0.141 -0.028 3   GLN BBB CD  
1590 O OE1 . GLN B 3   ? 1.431 1.317 1.524 0.059  -0.155 -0.037 3   GLN BBB OE1 
1591 N NE2 . GLN B 3   ? 1.422 1.274 1.606 0.024  -0.185 -0.025 3   GLN BBB NE2 
1592 N N   . LEU B 4   ? 0.980 0.997 1.012 -0.027 -0.000 0.014  4   LEU BBB N   
1593 C CA  . LEU B 4   ? 0.964 0.972 0.998 -0.042 0.011  0.017  4   LEU BBB CA  
1594 C C   . LEU B 4   ? 0.868 0.854 0.935 -0.035 -0.004 0.010  4   LEU BBB C   
1595 O O   . LEU B 4   ? 0.885 0.861 0.950 -0.012 -0.032 -0.009 4   LEU BBB O   
1596 C CB  . LEU B 4   ? 0.884 0.916 0.900 -0.041 0.016  0.023  4   LEU BBB CB  
1597 C CG  . LEU B 4   ? 0.888 0.949 0.904 -0.052 0.016  0.044  4   LEU BBB CG  
1598 C CD1 . LEU B 4   ? 0.898 1.001 0.935 -0.051 0.017  0.075  4   LEU BBB CD1 
1599 C CD2 . LEU B 4   ? 0.896 0.922 0.901 -0.073 0.009  0.041  4   LEU BBB CD2 
1600 N N   . VAL B 5   ? 0.897 0.878 0.992 -0.047 0.010  0.028  5   VAL BBB N   
1601 C CA  . VAL B 5   ? 0.963 0.934 1.116 -0.047 -0.007 0.038  5   VAL BBB CA  
1602 C C   . VAL B 5   ? 0.907 0.882 1.040 -0.048 0.016  0.040  5   VAL BBB C   
1603 O O   . VAL B 5   ? 0.923 0.907 1.032 -0.045 0.046  0.055  5   VAL BBB O   
1604 C CB  . VAL B 5   ? 0.984 0.966 1.219 -0.054 -0.010 0.082  5   VAL BBB CB  
1605 C CG1 . VAL B 5   ? 1.014 0.988 1.342 -0.062 -0.044 0.105  5   VAL BBB CG1 
1606 C CG2 . VAL B 5   ? 1.027 1.000 1.279 -0.055 -0.032 0.082  5   VAL BBB CG2 
1607 N N   . GLU B 6   ? 0.911 0.877 1.042 -0.043 -0.001 0.022  6   GLU BBB N   
1608 C CA  . GLU B 6   ? 0.994 0.962 1.114 -0.044 0.015  0.025  6   GLU BBB CA  
1609 C C   . GLU B 6   ? 1.030 1.002 1.222 -0.047 0.007  0.051  6   GLU BBB C   
1610 O O   . GLU B 6   ? 1.074 1.038 1.334 -0.051 -0.028 0.063  6   GLU BBB O   
1611 C CB  . GLU B 6   ? 1.022 0.992 1.111 -0.032 0.003  0.002  6   GLU BBB CB  
1612 C CG  . GLU B 6   ? 0.959 0.951 1.006 -0.027 0.013  0.001  6   GLU BBB CG  
1613 C CD  . GLU B 6   ? 1.013 1.031 1.037 0.004  0.005  -0.003 6   GLU BBB CD  
1614 O OE1 . GLU B 6   ? 1.021 1.045 1.047 0.007  0.011  0.002  6   GLU BBB OE1 
1615 O OE2 . GLU B 6   ? 1.101 1.137 1.099 0.036  -0.004 -0.009 6   GLU BBB OE2 
1616 N N   . SER B 7   ? 1.047 1.111 1.462 -0.040 -0.106 0.131  7   SER BBB N   
1617 C CA  . SER B 7   ? 0.991 1.053 1.325 -0.062 -0.091 0.121  7   SER BBB CA  
1618 C C   . SER B 7   ? 0.933 1.037 1.286 -0.068 -0.087 0.118  7   SER BBB C   
1619 O O   . SER B 7   ? 0.916 1.031 1.317 -0.061 -0.108 0.123  7   SER BBB O   
1620 C CB  . SER B 7   ? 1.024 1.038 1.283 -0.078 -0.114 0.118  7   SER BBB CB  
1621 O OG  . SER B 7   ? 1.021 1.019 1.285 -0.078 -0.151 0.122  7   SER BBB OG  
1622 N N   . GLY B 8   ? 0.856 0.979 1.177 -0.078 -0.064 0.110  8   GLY BBB N   
1623 C CA  . GLY B 8   ? 0.795 0.953 1.123 -0.083 -0.061 0.105  8   GLY BBB CA  
1624 C C   . GLY B 8   ? 0.817 0.999 1.161 -0.076 -0.037 0.103  8   GLY BBB C   
1625 O O   . GLY B 8   ? 0.843 1.051 1.191 -0.078 -0.036 0.098  8   GLY BBB O   
1626 N N   . GLY B 9   ? 0.806 0.971 1.152 -0.068 -0.017 0.106  9   GLY BBB N   
1627 C CA  . GLY B 9   ? 0.859 1.022 1.196 -0.062 0.008  0.104  9   GLY BBB CA  
1628 C C   . GLY B 9   ? 0.888 1.056 1.177 -0.074 0.005  0.094  9   GLY BBB C   
1629 O O   . GLY B 9   ? 0.797 0.982 1.073 -0.089 -0.011 0.088  9   GLY BBB O   
1630 N N   . GLY B 10  ? 0.917 1.069 1.182 -0.070 0.018  0.091  10  GLY BBB N   
1631 C CA  . GLY B 10  ? 0.972 1.125 1.198 -0.080 0.007  0.081  10  GLY BBB CA  
1632 C C   . GLY B 10  ? 0.972 1.107 1.179 -0.070 0.013  0.080  10  GLY BBB C   
1633 O O   . GLY B 10  ? 0.973 1.092 1.195 -0.057 0.034  0.087  10  GLY BBB O   
1634 N N   . SER B 11  ? 1.064 1.195 1.240 -0.076 -0.006 0.071  11  SER BBB N   
1635 C CA  . SER B 11  ? 1.058 1.166 1.205 -0.067 -0.012 0.067  11  SER BBB CA  
1636 C C   . SER B 11  ? 0.975 1.138 1.166 -0.065 -0.028 0.062  11  SER BBB C   
1637 O O   . SER B 11  ? 0.868 1.080 1.097 -0.074 -0.038 0.058  11  SER BBB O   
1638 C CB  . SER B 11  ? 1.192 1.259 1.282 -0.074 -0.034 0.060  11  SER BBB CB  
1639 O OG  . SER B 11  ? 1.296 1.280 1.315 -0.068 -0.015 0.065  11  SER BBB OG  
1640 N N   . VAL B 12  ? 0.902 1.047 1.080 -0.052 -0.027 0.063  12  VAL BBB N   
1641 C CA  . VAL B 12  ? 0.885 1.068 1.090 -0.046 -0.045 0.057  12  VAL BBB CA  
1642 C C   . VAL B 12  ? 0.937 1.070 1.093 -0.034 -0.050 0.056  12  VAL BBB C   
1643 O O   . VAL B 12  ? 0.953 1.020 1.056 -0.031 -0.031 0.062  12  VAL BBB O   
1644 C CB  . VAL B 12  ? 0.873 1.092 1.125 -0.044 -0.034 0.063  12  VAL BBB CB  
1645 C CG1 . VAL B 12  ? 0.831 1.097 1.119 -0.055 -0.040 0.060  12  VAL BBB CG1 
1646 C CG2 . VAL B 12  ? 0.875 1.069 1.135 -0.042 -0.007 0.075  12  VAL BBB CG2 
1647 N N   . GLN B 13  ? 0.994 1.148 1.161 -0.026 -0.073 0.049  13  GLN BBB N   
1648 C CA  . GLN B 13  ? 1.105 1.209 1.223 -0.012 -0.082 0.047  13  GLN BBB CA  
1649 C C   . GLN B 13  ? 1.032 1.135 1.163 -0.007 -0.058 0.055  13  GLN BBB C   
1650 O O   . GLN B 13  ? 0.923 1.077 1.110 -0.012 -0.049 0.059  13  GLN BBB O   
1651 C CB  . GLN B 13  ? 1.158 1.288 1.292 -0.003 -0.123 0.035  13  GLN BBB CB  
1652 C CG  . GLN B 13  ? 1.182 1.328 1.328 -0.012 -0.151 0.026  13  GLN BBB CG  
1653 C CD  . GLN B 13  ? 1.220 1.366 1.370 0.001  -0.196 0.015  13  GLN BBB CD  
1654 O OE1 . GLN B 13  ? 1.391 1.479 1.489 0.003  -0.228 0.011  13  GLN BBB OE1 
1655 N NE2 . GLN B 13  ? 1.140 1.343 1.348 0.011  -0.201 0.009  13  GLN BBB NE2 
1656 N N   . PRO B 14  ? 0.998 1.035 1.073 0.001  -0.049 0.058  14  PRO BBB N   
1657 C CA  . PRO B 14  ? 0.966 1.001 1.054 0.004  -0.032 0.064  14  PRO BBB CA  
1658 C C   . PRO B 14  ? 0.856 0.958 1.000 0.007  -0.051 0.060  14  PRO BBB C   
1659 O O   . PRO B 14  ? 0.825 0.955 0.977 0.013  -0.080 0.049  14  PRO BBB O   
1660 C CB  . PRO B 14  ? 1.046 0.995 1.047 0.014  -0.035 0.063  14  PRO BBB CB  
1661 C CG  . PRO B 14  ? 1.145 1.030 1.082 0.012  -0.030 0.062  14  PRO BBB CG  
1662 C CD  . PRO B 14  ? 1.056 1.004 1.040 0.006  -0.054 0.056  14  PRO BBB CD  
1663 N N   . GLY B 15  ? 0.764 0.887 0.948 0.001  -0.035 0.068  15  GLY BBB N   
1664 C CA  . GLY B 15  ? 0.765 0.932 0.985 0.002  -0.050 0.065  15  GLY BBB CA  
1665 C C   . GLY B 15  ? 0.695 0.916 0.960 -0.005 -0.056 0.063  15  GLY BBB C   
1666 O O   . GLY B 15  ? 0.680 0.925 0.965 -0.006 -0.064 0.062  15  GLY BBB O   
1667 N N   . GLY B 16  ? 0.716 0.943 0.984 -0.012 -0.051 0.063  16  GLY BBB N   
1668 C CA  . GLY B 16  ? 0.665 0.930 0.965 -0.022 -0.052 0.061  16  GLY BBB CA  
1669 C C   . GLY B 16  ? 0.683 0.951 1.012 -0.031 -0.043 0.072  16  GLY BBB C   
1670 O O   . GLY B 16  ? 0.675 0.922 1.013 -0.030 -0.032 0.081  16  GLY BBB O   
1671 N N   . SER B 17  ? 0.646 0.935 0.990 -0.039 -0.048 0.071  17  SER BBB N   
1672 C CA  . SER B 17  ? 0.677 0.962 1.046 -0.047 -0.050 0.081  17  SER BBB CA  
1673 C C   . SER B 17  ? 0.643 0.929 1.013 -0.055 -0.046 0.082  17  SER BBB C   
1674 O O   . SER B 17  ? 0.686 0.982 1.038 -0.060 -0.044 0.074  17  SER BBB O   
1675 C CB  . SER B 17  ? 0.646 0.930 1.011 -0.048 -0.065 0.080  17  SER BBB CB  
1676 O OG  . SER B 17  ? 0.781 1.070 1.127 -0.055 -0.068 0.074  17  SER BBB OG  
1677 N N   . LEU B 18  ? 0.750 1.181 1.349 0.019  -0.118 0.072  18  LEU BBB N   
1678 C CA  . LEU B 18  ? 0.703 1.132 1.310 -0.024 -0.110 0.082  18  LEU BBB CA  
1679 C C   . LEU B 18  ? 0.670 1.058 1.238 -0.014 -0.083 0.076  18  LEU BBB C   
1680 O O   . LEU B 18  ? 0.727 1.061 1.249 0.012  -0.080 0.058  18  LEU BBB O   
1681 C CB  . LEU B 18  ? 0.727 1.094 1.309 -0.060 -0.137 0.073  18  LEU BBB CB  
1682 C CG  . LEU B 18  ? 0.740 1.148 1.361 -0.084 -0.169 0.080  18  LEU BBB CG  
1683 C CD1 . LEU B 18  ? 0.752 1.089 1.329 -0.110 -0.195 0.063  18  LEU BBB CD1 
1684 C CD2 . LEU B 18  ? 0.755 1.242 1.445 -0.113 -0.167 0.105  18  LEU BBB CD2 
1685 N N   . ARG B 19  ? 0.664 1.074 1.250 -0.038 -0.066 0.092  19  ARG BBB N   
1686 C CA  . ARG B 19  ? 0.670 1.050 1.220 -0.031 -0.040 0.090  19  ARG BBB CA  
1687 C C   . ARG B 19  ? 0.655 0.986 1.194 -0.073 -0.044 0.097  19  ARG BBB C   
1688 O O   . ARG B 19  ? 0.656 1.023 1.239 -0.105 -0.046 0.121  19  ARG BBB O   
1689 C CB  . ARG B 19  ? 0.695 1.163 1.277 -0.010 -0.011 0.107  19  ARG BBB CB  
1690 C CG  . ARG B 19  ? 0.732 1.190 1.287 -0.009 0.015  0.114  19  ARG BBB CG  
1691 C CD  . ARG B 19  ? 0.806 1.299 1.339 0.043  0.036  0.100  19  ARG BBB CD  
1692 N NE  . ARG B 19  ? 0.852 1.378 1.373 0.049  0.064  0.113  19  ARG BBB NE  
1693 C CZ  . ARG B 19  ? 0.899 1.411 1.372 0.087  0.078  0.091  19  ARG BBB CZ  
1694 N NH1 . ARG B 19  ? 0.881 1.337 1.315 0.117  0.063  0.055  19  ARG BBB NH1 
1695 N NH2 . ARG B 19  ? 0.975 1.527 1.436 0.091  0.103  0.107  19  ARG BBB NH2 
1696 N N   . LEU B 20  ? 0.695 0.947 1.179 -0.072 -0.047 0.079  20  LEU BBB N   
1697 C CA  . LEU B 20  ? 0.685 0.881 1.149 -0.100 -0.051 0.082  20  LEU BBB CA  
1698 C C   . LEU B 20  ? 0.681 0.883 1.134 -0.094 -0.023 0.095  20  LEU BBB C   
1699 O O   . LEU B 20  ? 0.656 0.881 1.092 -0.063 -0.005 0.089  20  LEU BBB O   
1700 C CB  . LEU B 20  ? 0.686 0.810 1.098 -0.098 -0.068 0.057  20  LEU BBB CB  
1701 C CG  . LEU B 20  ? 0.716 0.823 1.134 -0.117 -0.099 0.048  20  LEU BBB CG  
1702 C CD1 . LEU B 20  ? 0.742 0.915 1.214 -0.122 -0.111 0.059  20  LEU BBB CD1 
1703 C CD2 . LEU B 20  ? 0.718 0.782 1.085 -0.103 -0.112 0.028  20  LEU BBB CD2 
1704 N N   . SER B 21  ? 0.732 0.912 1.192 -0.121 -0.023 0.112  21  SER BBB N   
1705 C CA  . SER B 21  ? 0.736 0.923 1.190 -0.121 0.001  0.134  21  SER BBB CA  
1706 C C   . SER B 21  ? 0.746 0.850 1.166 -0.134 -0.008 0.129  21  SER BBB C   
1707 O O   . SER B 21  ? 0.804 0.867 1.234 -0.160 -0.032 0.126  21  SER BBB O   
1708 C CB  . SER B 21  ? 0.751 1.008 1.263 -0.143 0.011  0.173  21  SER BBB CB  
1709 O OG  . SER B 21  ? 0.735 1.081 1.270 -0.116 0.031  0.179  21  SER BBB OG  
1710 N N   . CYS B 22  ? 0.791 0.874 1.170 -0.114 0.008  0.125  22  CYS BBB N   
1711 C CA  . CYS B 22  ? 0.848 0.862 1.191 -0.116 0.005  0.123  22  CYS BBB CA  
1712 C C   . CYS B 22  ? 0.843 0.878 1.191 -0.116 0.027  0.155  22  CYS BBB C   
1713 O O   . CYS B 22  ? 0.793 0.863 1.120 -0.091 0.047  0.154  22  CYS BBB O   
1714 C CB  . CYS B 22  ? 0.899 0.881 1.191 -0.092 0.003  0.094  22  CYS BBB CB  
1715 S SG  . CYS B 22  ? 0.950 0.858 1.201 -0.087 -0.005 0.086  22  CYS BBB SG  
1716 N N   . LEU B 23  ? 0.842 0.859 1.218 -0.143 0.021  0.184  23  LEU BBB N   
1717 C CA  . LEU B 23  ? 0.866 0.902 1.251 -0.148 0.040  0.224  23  LEU BBB CA  
1718 C C   . LEU B 23  ? 0.875 0.829 1.222 -0.141 0.032  0.222  23  LEU BBB C   
1719 O O   . LEU B 23  ? 0.895 0.774 1.239 -0.155 0.006  0.208  23  LEU BBB O   
1720 C CB  . LEU B 23  ? 0.889 0.957 1.336 -0.187 0.035  0.266  23  LEU BBB CB  
1721 C CG  . LEU B 23  ? 0.934 1.026 1.398 -0.198 0.052  0.319  23  LEU BBB CG  
1722 C CD1 . LEU B 23  ? 0.866 1.036 1.307 -0.164 0.087  0.328  23  LEU BBB CD1 
1723 C CD2 . LEU B 23  ? 0.945 1.083 1.479 -0.243 0.046  0.365  23  LEU BBB CD2 
1724 N N   . GLY B 24  ? 0.848 0.818 1.166 -0.117 0.053  0.232  24  GLY BBB N   
1725 C CA  . GLY B 24  ? 0.907 0.814 1.189 -0.103 0.050  0.235  24  GLY BBB CA  
1726 C C   . GLY B 24  ? 0.948 0.836 1.253 -0.122 0.052  0.284  24  GLY BBB C   
1727 O O   . GLY B 24  ? 0.932 0.892 1.264 -0.131 0.071  0.321  24  GLY BBB O   
1728 N N   . SER B 25  ? 1.060 0.857 1.354 -0.126 0.031  0.284  25  SER BBB N   
1729 C CA  . SER B 25  ? 1.129 0.887 1.436 -0.138 0.029  0.332  25  SER BBB CA  
1730 C C   . SER B 25  ? 1.102 0.912 1.382 -0.108 0.057  0.355  25  SER BBB C   
1731 O O   . SER B 25  ? 1.202 1.075 1.506 -0.121 0.075  0.402  25  SER BBB O   
1732 C CB  . SER B 25  ? 1.198 0.835 1.484 -0.135 -0.001 0.316  25  SER BBB CB  
1733 O OG  . SER B 25  ? 1.229 0.843 1.464 -0.094 -0.002 0.267  25  SER BBB OG  
1734 N N   . GLY B 26  ? 1.026 0.822 1.258 -0.069 0.061  0.325  26  GLY BBB N   
1735 C CA  . GLY B 26  ? 0.995 0.848 1.199 -0.040 0.084  0.340  26  GLY BBB CA  
1736 C C   . GLY B 26  ? 0.927 0.864 1.119 -0.028 0.100  0.314  26  GLY BBB C   
1737 O O   . GLY B 26  ? 0.886 0.831 1.091 -0.040 0.093  0.284  26  GLY BBB O   
1738 N N   . SER B 27  ? 0.886 0.881 1.053 -0.005 0.117  0.324  27  SER BBB N   
1739 C CA  . SER B 27  ? 0.826 0.890 0.973 0.010  0.127  0.294  27  SER BBB CA  
1740 C C   . SER B 27  ? 0.799 0.831 0.932 0.015  0.112  0.245  27  SER BBB C   
1741 O O   . SER B 27  ? 0.852 0.837 0.968 0.026  0.101  0.235  27  SER BBB O   
1742 C CB  . SER B 27  ? 0.816 0.926 0.929 0.035  0.139  0.307  27  SER BBB CB  
1743 O OG  . SER B 27  ? 0.815 0.993 0.914 0.045  0.147  0.285  27  SER BBB OG  
1744 N N   . LEU B 28  ? 0.752 0.815 0.893 0.010  0.111  0.219  28  LEU BBB N   
1745 C CA  . LEU B 28  ? 0.737 0.783 0.864 0.013  0.098  0.179  28  LEU BBB CA  
1746 C C   . LEU B 28  ? 0.694 0.782 0.792 0.030  0.100  0.162  28  LEU BBB C   
1747 O O   . LEU B 28  ? 0.737 0.814 0.826 0.030  0.088  0.135  28  LEU BBB O   
1748 C CB  . LEU B 28  ? 0.747 0.793 0.902 -0.003 0.092  0.164  28  LEU BBB CB  
1749 C CG  . LEU B 28  ? 0.758 0.760 0.943 -0.025 0.081  0.174  28  LEU BBB CG  
1750 C CD1 . LEU B 28  ? 0.774 0.784 0.984 -0.039 0.071  0.155  28  LEU BBB CD1 
1751 C CD2 . LEU B 28  ? 0.748 0.683 0.914 -0.020 0.067  0.165  28  LEU BBB CD2 
1752 N N   . ASP B 29  ? 0.706 0.839 0.789 0.042  0.113  0.179  29  ASP BBB N   
1753 C CA  . ASP B 29  ? 0.713 0.888 0.766 0.057  0.111  0.160  29  ASP BBB CA  
1754 C C   . ASP B 29  ? 0.706 0.864 0.742 0.059  0.095  0.140  29  ASP BBB C   
1755 O O   . ASP B 29  ? 0.671 0.837 0.696 0.057  0.082  0.113  29  ASP BBB O   
1756 C CB  . ASP B 29  ? 0.734 0.959 0.768 0.072  0.125  0.185  29  ASP BBB CB  
1757 C CG  . ASP B 29  ? 0.802 1.075 0.846 0.075  0.142  0.201  29  ASP BBB CG  
1758 O OD1 . ASP B 29  ? 0.725 0.992 0.798 0.063  0.144  0.196  29  ASP BBB OD1 
1759 O OD2 . ASP B 29  ? 0.832 1.158 0.855 0.090  0.154  0.221  29  ASP BBB OD2 
1760 N N   . TYR B 30  ? 0.692 0.829 0.726 0.063  0.094  0.155  30  TYR BBB N   
1761 C CA  . TYR B 30  ? 0.699 0.839 0.719 0.068  0.082  0.145  30  TYR BBB CA  
1762 C C   . TYR B 30  ? 0.651 0.757 0.682 0.057  0.071  0.125  30  TYR BBB C   
1763 O O   . TYR B 30  ? 0.679 0.798 0.704 0.058  0.062  0.119  30  TYR BBB O   
1764 C CB  . TYR B 30  ? 0.725 0.864 0.738 0.087  0.087  0.169  30  TYR BBB CB  
1765 C CG  . TYR B 30  ? 0.786 0.963 0.785 0.102  0.096  0.195  30  TYR BBB CG  
1766 C CD1 . TYR B 30  ? 0.812 1.038 0.796 0.101  0.096  0.189  30  TYR BBB CD1 
1767 C CD2 . TYR B 30  ? 0.860 1.021 0.856 0.120  0.102  0.224  30  TYR BBB CD2 
1768 C CE1 . TYR B 30  ? 0.877 1.145 0.842 0.116  0.103  0.213  30  TYR BBB CE1 
1769 C CE2 . TYR B 30  ? 0.871 1.070 0.853 0.135  0.109  0.253  30  TYR BBB CE2 
1770 C CZ  . TYR B 30  ? 0.913 1.170 0.879 0.132  0.111  0.248  30  TYR BBB CZ  
1771 O OH  . TYR B 30  ? 0.929 1.231 0.877 0.149  0.117  0.277  30  TYR BBB OH  
1772 N N   . TYR B 31  ? 0.657 0.729 0.707 0.046  0.072  0.120  31  TYR BBB N   
1773 C CA  . TYR B 31  ? 0.663 0.703 0.720 0.038  0.062  0.104  31  TYR BBB CA  
1774 C C   . TYR B 31  ? 0.650 0.695 0.714 0.024  0.052  0.084  31  TYR BBB C   
1775 O O   . TYR B 31  ? 0.624 0.681 0.696 0.022  0.055  0.081  31  TYR BBB O   
1776 C CB  . TYR B 31  ? 0.727 0.721 0.799 0.034  0.063  0.110  31  TYR BBB CB  
1777 C CG  . TYR B 31  ? 0.748 0.715 0.811 0.050  0.067  0.127  31  TYR BBB CG  
1778 C CD1 . TYR B 31  ? 0.809 0.783 0.876 0.054  0.078  0.154  31  TYR BBB CD1 
1779 C CD2 . TYR B 31  ? 0.817 0.751 0.867 0.064  0.060  0.118  31  TYR BBB CD2 
1780 C CE1 . TYR B 31  ? 0.865 0.805 0.925 0.069  0.078  0.173  31  TYR BBB CE1 
1781 C CE2 . TYR B 31  ? 0.859 0.758 0.898 0.084  0.061  0.131  31  TYR BBB CE2 
1782 C CZ  . TYR B 31  ? 0.875 0.771 0.921 0.085  0.069  0.159  31  TYR BBB CZ  
1783 O OH  . TYR B 31  ? 0.959 0.812 0.995 0.107  0.067  0.175  31  TYR BBB OH  
1784 N N   . ALA B 32  ? 0.627 0.667 0.688 0.019  0.040  0.074  32  ALA BBB N   
1785 C CA  . ALA B 32  ? 0.610 0.637 0.680 0.006  0.028  0.060  32  ALA BBB CA  
1786 C C   . ALA B 32  ? 0.588 0.585 0.671 0.003  0.027  0.057  32  ALA BBB C   
1787 O O   . ALA B 32  ? 0.605 0.585 0.681 0.010  0.030  0.061  32  ALA BBB O   
1788 C CB  . ALA B 32  ? 0.595 0.633 0.657 -0.002 0.015  0.059  32  ALA BBB CB  
1789 N N   . ILE B 33  ? 0.604 0.593 0.704 -0.006 0.022  0.048  33  ILE BBB N   
1790 C CA  . ILE B 33  ? 0.599 0.565 0.716 -0.013 0.017  0.046  33  ILE BBB CA  
1791 C C   . ILE B 33  ? 0.581 0.541 0.699 -0.019 0.001  0.035  33  ILE BBB C   
1792 O O   . ILE B 33  ? 0.594 0.564 0.716 -0.020 -0.004 0.030  33  ILE BBB O   
1793 C CB  . ILE B 33  ? 0.647 0.623 0.791 -0.018 0.024  0.053  33  ILE BBB CB  
1794 C CG1 . ILE B 33  ? 0.653 0.639 0.794 -0.012 0.040  0.071  33  ILE BBB CG1 
1795 C CG2 . ILE B 33  ? 0.686 0.642 0.853 -0.031 0.014  0.051  33  ILE BBB CG2 
1796 C CD1 . ILE B 33  ? 0.661 0.613 0.794 -0.011 0.040  0.080  33  ILE BBB CD1 
1797 N N   . GLY B 34  ? 0.614 0.558 0.724 -0.020 -0.007 0.031  34  GLY BBB N   
1798 C CA  . GLY B 34  ? 0.685 0.629 0.793 -0.025 -0.022 0.025  34  GLY BBB CA  
1799 C C   . GLY B 34  ? 0.688 0.618 0.812 -0.032 -0.033 0.017  34  GLY BBB C   
1800 O O   . GLY B 34  ? 0.678 0.590 0.807 -0.034 -0.030 0.016  34  GLY BBB O   
1801 N N   . TRP B 35  ? 0.651 0.587 0.785 -0.037 -0.046 0.015  35  TRP BBB N   
1802 C CA  . TRP B 35  ? 0.685 0.616 0.833 -0.044 -0.061 0.008  35  TRP BBB CA  
1803 C C   . TRP B 35  ? 0.715 0.646 0.836 -0.040 -0.075 0.005  35  TRP BBB C   
1804 O O   . TRP B 35  ? 0.744 0.688 0.859 -0.039 -0.078 0.014  35  TRP BBB O   
1805 C CB  . TRP B 35  ? 0.694 0.644 0.878 -0.047 -0.065 0.011  35  TRP BBB CB  
1806 C CG  . TRP B 35  ? 0.655 0.620 0.867 -0.049 -0.051 0.016  35  TRP BBB CG  
1807 C CD1 . TRP B 35  ? 0.659 0.639 0.874 -0.038 -0.036 0.020  35  TRP BBB CD1 
1808 C CD2 . TRP B 35  ? 0.667 0.640 0.910 -0.062 -0.051 0.022  35  TRP BBB CD2 
1809 N NE1 . TRP B 35  ? 0.659 0.663 0.900 -0.041 -0.023 0.029  35  TRP BBB NE1 
1810 C CE2 . TRP B 35  ? 0.686 0.686 0.948 -0.058 -0.032 0.034  35  TRP BBB CE2 
1811 C CE3 . TRP B 35  ? 0.708 0.666 0.962 -0.078 -0.068 0.018  35  TRP BBB CE3 
1812 C CZ2 . TRP B 35  ? 0.696 0.718 0.995 -0.073 -0.027 0.049  35  TRP BBB CZ2 
1813 C CZ3 . TRP B 35  ? 0.726 0.695 1.016 -0.096 -0.067 0.031  35  TRP BBB CZ3 
1814 C CH2 . TRP B 35  ? 0.691 0.695 1.007 -0.095 -0.045 0.049  35  TRP BBB CH2 
1815 N N   . PHE B 36  ? 0.704 0.620 0.807 -0.039 -0.084 -0.008 36  PHE BBB N   
1816 C CA  . PHE B 36  ? 0.742 0.665 0.814 -0.032 -0.098 -0.014 36  PHE BBB CA  
1817 C C   . PHE B 36  ? 0.786 0.704 0.873 -0.042 -0.120 -0.026 36  PHE BBB C   
1818 O O   . PHE B 36  ? 0.808 0.714 0.928 -0.055 -0.123 -0.029 36  PHE BBB O   
1819 C CB  . PHE B 36  ? 0.770 0.684 0.801 -0.014 -0.093 -0.025 36  PHE BBB CB  
1820 C CG  . PHE B 36  ? 0.729 0.664 0.747 -0.004 -0.073 -0.010 36  PHE BBB CG  
1821 C CD1 . PHE B 36  ? 0.697 0.622 0.729 -0.005 -0.058 -0.005 36  PHE BBB CD1 
1822 C CD2 . PHE B 36  ? 0.735 0.708 0.725 0.007  -0.071 0.001  36  PHE BBB CD2 
1823 C CE1 . PHE B 36  ? 0.679 0.629 0.701 0.004  -0.043 0.009  36  PHE BBB CE1 
1824 C CE2 . PHE B 36  ? 0.709 0.711 0.693 0.013  -0.055 0.017  36  PHE BBB CE2 
1825 C CZ  . PHE B 36  ? 0.682 0.672 0.683 0.011  -0.042 0.020  36  PHE BBB CZ  
1826 N N   . ARG B 37  ? 0.769 0.704 0.834 -0.037 -0.136 -0.028 37  ARG BBB N   
1827 C CA  . ARG B 37  ? 0.794 0.731 0.868 -0.045 -0.162 -0.040 37  ARG BBB CA  
1828 C C   . ARG B 37  ? 0.830 0.772 0.850 -0.030 -0.175 -0.054 37  ARG BBB C   
1829 O O   . ARG B 37  ? 0.786 0.750 0.773 -0.015 -0.162 -0.043 37  ARG BBB O   
1830 C CB  . ARG B 37  ? 0.779 0.743 0.892 -0.053 -0.168 -0.022 37  ARG BBB CB  
1831 C CG  . ARG B 37  ? 0.756 0.744 0.850 -0.043 -0.172 -0.004 37  ARG BBB CG  
1832 C CD  . ARG B 37  ? 0.696 0.699 0.828 -0.045 -0.181 0.012  37  ARG BBB CD  
1833 N NE  . ARG B 37  ? 0.755 0.768 0.869 -0.038 -0.186 0.035  37  ARG BBB NE  
1834 C CZ  . ARG B 37  ? 0.738 0.755 0.874 -0.035 -0.197 0.052  37  ARG BBB CZ  
1835 N NH1 . ARG B 37  ? 0.736 0.758 0.915 -0.032 -0.200 0.047  37  ARG BBB NH1 
1836 N NH2 . ARG B 37  ? 0.745 0.766 0.864 -0.032 -0.204 0.078  37  ARG BBB NH2 
1837 N N   . GLN B 38  ? 0.875 0.801 0.887 -0.035 -0.200 -0.079 38  GLN BBB N   
1838 C CA  . GLN B 38  ? 0.992 0.915 0.945 -0.017 -0.218 -0.104 38  GLN BBB CA  
1839 C C   . GLN B 38  ? 1.070 1.004 1.035 -0.031 -0.252 -0.114 38  GLN BBB C   
1840 O O   . GLN B 38  ? 1.045 0.956 1.051 -0.055 -0.267 -0.123 38  GLN BBB O   
1841 C CB  . GLN B 38  ? 1.080 0.950 1.007 -0.006 -0.217 -0.133 38  GLN BBB CB  
1842 C CG  . GLN B 38  ? 1.168 1.019 1.032 0.017  -0.240 -0.171 38  GLN BBB CG  
1843 C CD  . GLN B 38  ? 1.177 1.062 0.982 0.055  -0.221 -0.170 38  GLN BBB CD  
1844 O OE1 . GLN B 38  ? 1.139 1.005 0.927 0.075  -0.201 -0.175 38  GLN BBB OE1 
1845 N NE2 . GLN B 38  ? 1.181 1.124 0.958 0.066  -0.225 -0.160 38  GLN BBB NE2 
1846 N N   . ALA B 39  ? 1.171 1.148 1.108 -0.019 -0.262 -0.106 39  ALA BBB N   
1847 C CA  . ALA B 39  ? 1.225 1.221 1.160 -0.027 -0.298 -0.118 39  ALA BBB CA  
1848 C C   . ALA B 39  ? 1.301 1.291 1.161 -0.004 -0.316 -0.153 39  ALA BBB C   
1849 O O   . ALA B 39  ? 1.290 1.293 1.101 0.023  -0.296 -0.152 39  ALA BBB O   
1850 C CB  . ALA B 39  ? 1.209 1.258 1.161 -0.026 -0.298 -0.082 39  ALA BBB CB  
1851 N N   . PRO B 40  ? 1.393 1.367 1.242 -0.013 -0.355 -0.186 40  PRO BBB N   
1852 C CA  . PRO B 40  ? 1.495 1.458 1.265 0.013  -0.378 -0.228 40  PRO BBB CA  
1853 C C   . PRO B 40  ? 1.525 1.558 1.242 0.044  -0.366 -0.208 40  PRO BBB C   
1854 O O   . PRO B 40  ? 1.459 1.542 1.202 0.034  -0.369 -0.174 40  PRO BBB O   
1855 C CB  . PRO B 40  ? 1.535 1.481 1.317 -0.011 -0.427 -0.258 40  PRO BBB CB  
1856 C CG  . PRO B 40  ? 1.463 1.443 1.332 -0.046 -0.427 -0.219 40  PRO BBB CG  
1857 C CD  . PRO B 40  ? 1.383 1.357 1.295 -0.048 -0.382 -0.185 40  PRO BBB CD  
1858 N N   . GLY B 41  ? 1.195 1.395 1.215 -0.054 0.042  -0.116 41  GLY BBB N   
1859 C CA  . GLY B 41  ? 1.300 1.499 1.298 -0.060 0.035  -0.105 41  GLY BBB CA  
1860 C C   . GLY B 41  ? 1.366 1.525 1.358 -0.046 0.027  -0.086 41  GLY BBB C   
1861 O O   . GLY B 41  ? 1.323 1.477 1.311 -0.060 0.037  -0.090 41  GLY BBB O   
1862 N N   . LYS B 42  ? 1.458 1.597 1.451 -0.022 0.012  -0.070 42  LYS BBB N   
1863 C CA  . LYS B 42  ? 1.423 1.522 1.407 -0.011 0.005  -0.053 42  LYS BBB CA  
1864 C C   . LYS B 42  ? 1.299 1.386 1.310 -0.011 0.023  -0.062 42  LYS BBB C   
1865 O O   . LYS B 42  ? 1.142 1.235 1.176 -0.011 0.035  -0.076 42  LYS BBB O   
1866 C CB  . LYS B 42  ? 1.505 1.590 1.488 0.016  -0.013 -0.041 42  LYS BBB CB  
1867 C CG  . LYS B 42  ? 1.604 1.694 1.559 0.029  -0.039 -0.032 42  LYS BBB CG  
1868 C CD  . LYS B 42  ? 1.562 1.638 1.520 0.063  -0.059 -0.026 42  LYS BBB CD  
1869 C CE  . LYS B 42  ? 1.547 1.667 1.509 0.087  -0.079 -0.035 42  LYS BBB CE  
1870 N NZ  . LYS B 42  ? 1.516 1.622 1.481 0.125  -0.101 -0.035 42  LYS BBB NZ  
1871 N N   . GLU B 43  ? 1.245 1.312 1.249 -0.011 0.022  -0.053 43  GLU BBB N   
1872 C CA  . GLU B 43  ? 1.170 1.229 1.198 -0.004 0.032  -0.059 43  GLU BBB CA  
1873 C C   . GLU B 43  ? 1.056 1.097 1.097 0.015  0.026  -0.050 43  GLU BBB C   
1874 O O   . GLU B 43  ? 0.955 0.987 0.983 0.023  0.014  -0.039 43  GLU BBB O   
1875 C CB  . GLU B 43  ? 1.209 1.268 1.223 -0.017 0.033  -0.056 43  GLU BBB CB  
1876 C CG  . GLU B 43  ? 1.323 1.416 1.338 -0.038 0.046  -0.076 43  GLU BBB CG  
1877 C CD  . GLU B 43  ? 1.420 1.532 1.436 -0.051 0.053  -0.085 43  GLU BBB CD  
1878 O OE1 . GLU B 43  ? 1.378 1.466 1.375 -0.052 0.046  -0.069 43  GLU BBB OE1 
1879 O OE2 . GLU B 43  ? 1.508 1.662 1.544 -0.059 0.066  -0.111 43  GLU BBB OE2 
1880 N N   . ARG B 44  ? 0.947 0.981 1.008 0.023  0.033  -0.056 44  ARG BBB N   
1881 C CA  . ARG B 44  ? 0.948 0.966 1.016 0.035  0.029  -0.048 44  ARG BBB CA  
1882 C C   . ARG B 44  ? 0.909 0.922 0.968 0.038  0.021  -0.036 44  ARG BBB C   
1883 O O   . ARG B 44  ? 0.944 0.962 0.996 0.030  0.023  -0.037 44  ARG BBB O   
1884 C CB  . ARG B 44  ? 0.981 0.986 1.063 0.043  0.034  -0.052 44  ARG BBB CB  
1885 C CG  . ARG B 44  ? 1.011 0.993 1.089 0.047  0.030  -0.043 44  ARG BBB CG  
1886 C CD  . ARG B 44  ? 1.068 1.028 1.150 0.060  0.027  -0.041 44  ARG BBB CD  
1887 N NE  . ARG B 44  ? 1.130 1.065 1.211 0.065  0.031  -0.052 44  ARG BBB NE  
1888 C CZ  . ARG B 44  ? 1.202 1.147 1.300 0.081  0.032  -0.066 44  ARG BBB CZ  
1889 N NH1 . ARG B 44  ? 1.308 1.221 1.404 0.088  0.035  -0.080 44  ARG BBB NH1 
1890 N NH2 . ARG B 44  ? 1.157 1.143 1.273 0.087  0.030  -0.071 44  ARG BBB NH2 
1891 N N   . GLU B 45  ? 0.855 0.860 0.912 0.045  0.015  -0.029 45  GLU BBB N   
1892 C CA  . GLU B 45  ? 0.863 0.854 0.907 0.049  0.008  -0.021 45  GLU BBB CA  
1893 C C   . GLU B 45  ? 0.803 0.794 0.858 0.054  0.008  -0.020 45  GLU BBB C   
1894 O O   . GLU B 45  ? 0.741 0.742 0.804 0.057  0.008  -0.025 45  GLU BBB O   
1895 C CB  . GLU B 45  ? 0.906 0.885 0.930 0.056  -0.005 -0.018 45  GLU BBB CB  
1896 C CG  . GLU B 45  ? 0.957 0.906 0.963 0.063  -0.014 -0.013 45  GLU BBB CG  
1897 C CD  . GLU B 45  ? 1.032 0.959 1.015 0.079  -0.032 -0.010 45  GLU BBB CD  
1898 O OE1 . GLU B 45  ? 1.090 0.969 1.039 0.081  -0.042 -0.002 45  GLU BBB OE1 
1899 O OE2 . GLU B 45  ? 1.009 0.965 1.005 0.091  -0.038 -0.017 45  GLU BBB OE2 
1900 N N   . GLY B 46  ? 0.781 0.692 0.745 0.024  -0.080 -0.023 46  GLY BBB N   
1901 C CA  . GLY B 46  ? 0.725 0.649 0.725 0.001  -0.065 -0.011 46  GLY BBB CA  
1902 C C   . GLY B 46  ? 0.722 0.656 0.741 -0.008 -0.068 -0.008 46  GLY BBB C   
1903 O O   . GLY B 46  ? 0.809 0.745 0.808 -0.000 -0.066 -0.002 46  GLY BBB O   
1904 N N   . VAL B 47  ? 0.682 0.623 0.741 -0.021 -0.071 -0.011 47  VAL BBB N   
1905 C CA  . VAL B 47  ? 0.688 0.643 0.770 -0.026 -0.074 -0.010 47  VAL BBB CA  
1906 C C   . VAL B 47  ? 0.638 0.610 0.731 -0.034 -0.055 0.002  47  VAL BBB C   
1907 O O   . VAL B 47  ? 0.601 0.578 0.688 -0.031 -0.053 0.004  47  VAL BBB O   
1908 C CB  . VAL B 47  ? 0.732 0.693 0.857 -0.034 -0.088 -0.018 47  VAL BBB CB  
1909 C CG1 . VAL B 47  ? 0.774 0.757 0.927 -0.037 -0.089 -0.016 47  VAL BBB CG1 
1910 C CG2 . VAL B 47  ? 0.785 0.725 0.900 -0.024 -0.114 -0.035 47  VAL BBB CG2 
1911 N N   . SER B 48  ? 0.607 0.587 0.714 -0.042 -0.043 0.009  48  SER BBB N   
1912 C CA  . SER B 48  ? 0.625 0.624 0.742 -0.045 -0.028 0.018  48  SER BBB CA  
1913 C C   . SER B 48  ? 0.588 0.590 0.706 -0.049 -0.015 0.026  48  SER BBB C   
1914 O O   . SER B 48  ? 0.672 0.665 0.799 -0.052 -0.018 0.026  48  SER BBB O   
1915 C CB  . SER B 48  ? 0.596 0.617 0.743 -0.045 -0.028 0.018  48  SER BBB CB  
1916 O OG  . SER B 48  ? 0.618 0.657 0.765 -0.041 -0.015 0.024  48  SER BBB OG  
1917 N N   . CYS B 49  ? 0.559 0.572 0.669 -0.047 -0.003 0.032  49  CYS BBB N   
1918 C CA  . CYS B 49  ? 0.589 0.608 0.697 -0.047 0.009  0.040  49  CYS BBB CA  
1919 C C   . CYS B 49  ? 0.545 0.586 0.656 -0.042 0.019  0.044  49  CYS BBB C   
1920 O O   . CYS B 49  ? 0.526 0.568 0.628 -0.037 0.013  0.037  49  CYS BBB O   
1921 C CB  . CYS B 49  ? 0.632 0.638 0.715 -0.046 0.010  0.040  49  CYS BBB CB  
1922 S SG  . CYS B 49  ? 0.591 0.603 0.672 -0.044 0.023  0.049  49  CYS BBB SG  
1923 N N   . ILE B 50  ? 0.543 0.599 0.663 -0.040 0.030  0.054  50  ILE BBB N   
1924 C CA  . ILE B 50  ? 0.583 0.663 0.698 -0.029 0.040  0.058  50  ILE BBB CA  
1925 C C   . ILE B 50  ? 0.583 0.664 0.686 -0.027 0.048  0.066  50  ILE BBB C   
1926 O O   . ILE B 50  ? 0.597 0.670 0.711 -0.033 0.053  0.076  50  ILE BBB O   
1927 C CB  . ILE B 50  ? 0.585 0.695 0.724 -0.023 0.049  0.068  50  ILE BBB CB  
1928 C CG1 . ILE B 50  ? 0.585 0.723 0.709 -0.003 0.058  0.069  50  ILE BBB CG1 
1929 C CG2 . ILE B 50  ? 0.579 0.694 0.747 -0.033 0.057  0.087  50  ILE BBB CG2 
1930 C CD1 . ILE B 50  ? 0.671 0.844 0.812 0.009  0.066  0.076  50  ILE BBB CD1 
1931 N N   . ALA B 51  ? 0.552 0.638 0.636 -0.017 0.047  0.059  51  ALA BBB N   
1932 C CA  . ALA B 51  ? 0.557 0.647 0.629 -0.013 0.053  0.065  51  ALA BBB CA  
1933 C C   . ALA B 51  ? 0.553 0.665 0.629 -0.002 0.068  0.081  51  ALA BBB C   
1934 O O   . ALA B 51  ? 0.494 0.626 0.582 0.004  0.075  0.087  51  ALA BBB O   
1935 C CB  . ALA B 51  ? 0.593 0.684 0.649 -0.006 0.043  0.052  51  ALA BBB CB  
1936 N N   . SER B 52  ? 0.548 0.660 0.615 0.002  0.075  0.089  52  SER BBB N   
1937 C CA  . SER B 52  ? 0.576 0.710 0.642 0.014  0.090  0.108  52  SER BBB CA  
1938 C C   . SER B 52  ? 0.606 0.770 0.657 0.036  0.093  0.104  52  SER BBB C   
1939 O O   . SER B 52  ? 0.579 0.769 0.636 0.047  0.108  0.123  52  SER BBB O   
1940 C CB  . SER B 52  ? 0.555 0.681 0.606 0.018  0.092  0.113  52  SER BBB CB  
1941 O OG  . SER B 52  ? 0.593 0.743 0.633 0.037  0.104  0.128  52  SER BBB OG  
1942 N N   . SER B 53  ? 0.608 0.768 0.643 0.042  0.077  0.081  53  SER BBB N   
1943 C CA  . SER B 53  ? 0.640 0.822 0.654 0.068  0.072  0.068  53  SER BBB CA  
1944 C C   . SER B 53  ? 0.586 0.782 0.609 0.074  0.075  0.068  53  SER BBB C   
1945 O O   . SER B 53  ? 0.652 0.872 0.657 0.101  0.074  0.060  53  SER BBB O   
1946 C CB  . SER B 53  ? 0.656 0.821 0.658 0.069  0.048  0.042  53  SER BBB CB  
1947 O OG  . SER B 53  ? 0.647 0.790 0.663 0.053  0.036  0.031  53  SER BBB OG  
1948 N N   . GLY B 54  ? 0.592 0.775 0.642 0.053  0.076  0.073  54  GLY BBB N   
1949 C CA  . GLY B 54  ? 0.585 0.784 0.652 0.055  0.079  0.075  54  GLY BBB CA  
1950 C C   . GLY B 54  ? 0.616 0.806 0.670 0.066  0.061  0.048  54  GLY BBB C   
1951 O O   . GLY B 54  ? 0.691 0.897 0.757 0.072  0.063  0.048  54  GLY BBB O   
1952 N N   . ASP B 55  ? 0.638 0.805 0.673 0.068  0.042  0.028  55  ASP BBB N   
1953 C CA  . ASP B 55  ? 0.668 0.820 0.692 0.079  0.019  0.002  55  ASP BBB CA  
1954 C C   . ASP B 55  ? 0.665 0.777 0.698 0.055  0.001  -0.007 55  ASP BBB C   
1955 O O   . ASP B 55  ? 0.650 0.743 0.678 0.061  -0.022 -0.026 55  ASP BBB O   
1956 C CB  . ASP B 55  ? 0.686 0.851 0.682 0.110  0.009  -0.015 55  ASP BBB CB  
1957 C CG  . ASP B 55  ? 0.717 0.870 0.704 0.104  0.001  -0.018 55  ASP BBB CG  
1958 O OD1 . ASP B 55  ? 0.719 0.857 0.722 0.078  0.006  -0.005 55  ASP BBB OD1 
1959 O OD2 . ASP B 55  ? 0.844 1.003 0.809 0.129  -0.013 -0.035 55  ASP BBB OD2 
1960 N N   . ARG B 56  ? 0.610 0.711 0.656 0.031  0.008  0.007  56  ARG BBB N   
1961 C CA  . ARG B 56  ? 0.642 0.713 0.697 0.010  -0.003 0.006  56  ARG BBB CA  
1962 C C   . ARG B 56  ? 0.593 0.661 0.660 -0.003 0.007  0.017  56  ARG BBB C   
1963 O O   . ARG B 56  ? 0.573 0.654 0.647 -0.006 0.022  0.030  56  ARG BBB O   
1964 C CB  . ARG B 56  ? 0.628 0.691 0.684 -0.002 -0.004 0.012  56  ARG BBB CB  
1965 C CG  . ARG B 56  ? 0.694 0.767 0.740 0.010  -0.011 0.004  56  ARG BBB CG  
1966 C CD  . ARG B 56  ? 0.745 0.805 0.792 0.018  -0.036 -0.016 56  ARG BBB CD  
1967 N NE  . ARG B 56  ? 0.741 0.801 0.790 0.020  -0.052 -0.024 56  ARG BBB NE  
1968 C CZ  . ARG B 56  ? 0.797 0.869 0.829 0.042  -0.061 -0.039 56  ARG BBB CZ  
1969 N NH1 . ARG B 56  ? 0.891 0.983 0.900 0.068  -0.051 -0.043 56  ARG BBB NH1 
1970 N NH2 . ARG B 56  ? 0.824 0.894 0.865 0.041  -0.081 -0.048 56  ARG BBB NH2 
1971 N N   . THR B 57  ? 0.596 0.649 0.669 -0.008 -0.003 0.012  57  THR BBB N   
1972 C CA  . THR B 57  ? 0.607 0.654 0.690 -0.017 -0.000 0.018  57  THR BBB CA  
1973 C C   . THR B 57  ? 0.604 0.626 0.684 -0.027 -0.012 0.018  57  THR BBB C   
1974 O O   . THR B 57  ? 0.703 0.712 0.779 -0.025 -0.024 0.012  57  THR BBB O   
1975 C CB  . THR B 57  ? 0.612 0.677 0.707 -0.007 0.000  0.015  57  THR BBB CB  
1976 O OG1 . THR B 57  ? 0.671 0.728 0.757 0.005  -0.014 0.001  57  THR BBB OG1 
1977 C CG2 . THR B 57  ? 0.598 0.696 0.701 0.003  0.016  0.024  57  THR BBB CG2 
1978 N N   . ILE B 58  ? 0.638 0.652 0.717 -0.035 -0.009 0.024  58  ILE BBB N   
1979 C CA  . ILE B 58  ? 0.588 0.583 0.660 -0.039 -0.018 0.026  58  ILE BBB CA  
1980 C C   . ILE B 58  ? 0.582 0.574 0.657 -0.037 -0.022 0.023  58  ILE BBB C   
1981 O O   . ILE B 58  ? 0.598 0.602 0.686 -0.038 -0.017 0.022  58  ILE BBB O   
1982 C CB  . ILE B 58  ? 0.593 0.583 0.655 -0.044 -0.012 0.037  58  ILE BBB CB  
1983 C CG1 . ILE B 58  ? 0.583 0.579 0.642 -0.044 -0.003 0.038  58  ILE BBB CG1 
1984 C CG2 . ILE B 58  ? 0.510 0.503 0.576 -0.048 -0.013 0.040  58  ILE BBB CG2 
1985 C CD1 . ILE B 58  ? 0.619 0.614 0.664 -0.043 0.003  0.047  58  ILE BBB CD1 
1986 N N   . TYR B 59  ? 0.603 0.581 0.669 -0.035 -0.032 0.023  59  TYR BBB N   
1987 C CA  . TYR B 59  ? 0.596 0.570 0.664 -0.030 -0.041 0.018  59  TYR BBB CA  
1988 C C   . TYR B 59  ? 0.632 0.590 0.677 -0.027 -0.046 0.025  59  TYR BBB C   
1989 O O   . TYR B 59  ? 0.682 0.631 0.719 -0.029 -0.045 0.035  59  TYR BBB O   
1990 C CB  . TYR B 59  ? 0.613 0.591 0.692 -0.024 -0.050 0.010  59  TYR BBB CB  
1991 C CG  . TYR B 59  ? 0.570 0.571 0.668 -0.021 -0.043 0.005  59  TYR BBB CG  
1992 C CD1 . TYR B 59  ? 0.578 0.600 0.698 -0.022 -0.040 0.005  59  TYR BBB CD1 
1993 C CD2 . TYR B 59  ? 0.571 0.577 0.667 -0.015 -0.041 0.003  59  TYR BBB CD2 
1994 C CE1 . TYR B 59  ? 0.567 0.619 0.708 -0.018 -0.030 0.007  59  TYR BBB CE1 
1995 C CE2 . TYR B 59  ? 0.591 0.624 0.698 -0.007 -0.032 -0.000 59  TYR BBB CE2 
1996 C CZ  . TYR B 59  ? 0.565 0.624 0.695 -0.008 -0.025 0.005  59  TYR BBB CZ  
1997 O OH  . TYR B 59  ? 0.573 0.666 0.717 0.002  -0.013 0.009  59  TYR BBB OH  
1998 N N   . ALA B 60  ? 0.636 0.591 0.673 -0.021 -0.052 0.020  60  ALA BBB N   
1999 C CA  . ALA B 60  ? 0.633 0.576 0.644 -0.011 -0.059 0.024  60  ALA BBB CA  
2000 C C   . ALA B 60  ? 0.601 0.536 0.615 -0.007 -0.068 0.026  60  ALA BBB C   
2001 O O   . ALA B 60  ? 0.648 0.589 0.682 -0.008 -0.075 0.015  60  ALA BBB O   
2002 C CB  . ALA B 60  ? 0.631 0.571 0.634 -0.001 -0.070 0.011  60  ALA BBB CB  
2003 N N   . ASP B 61  ? 0.641 0.565 0.637 -0.003 -0.068 0.042  61  ASP BBB N   
2004 C CA  . ASP B 61  ? 0.693 0.604 0.691 0.001  -0.079 0.046  61  ASP BBB CA  
2005 C C   . ASP B 61  ? 0.717 0.629 0.718 0.012  -0.094 0.029  61  ASP BBB C   
2006 O O   . ASP B 61  ? 0.734 0.642 0.750 0.013  -0.102 0.022  61  ASP BBB O   
2007 C CB  . ASP B 61  ? 0.776 0.675 0.751 0.007  -0.077 0.071  61  ASP BBB CB  
2008 C CG  . ASP B 61  ? 0.896 0.794 0.882 -0.006 -0.066 0.093  61  ASP BBB CG  
2009 O OD1 . ASP B 61  ? 0.884 0.790 0.890 -0.018 -0.061 0.086  61  ASP BBB OD1 
2010 O OD2 . ASP B 61  ? 1.087 0.980 1.065 -0.003 -0.063 0.119  61  ASP BBB OD2 
2011 N N   . SER B 62  ? 0.718 0.636 0.708 0.021  -0.100 0.020  62  SER BBB N   
2012 C CA  . SER B 62  ? 0.754 0.674 0.747 0.032  -0.118 0.005  62  SER BBB CA  
2013 C C   . SER B 62  ? 0.721 0.660 0.754 0.024  -0.121 -0.010 62  SER BBB C   
2014 O O   . SER B 62  ? 0.685 0.631 0.731 0.032  -0.135 -0.021 62  SER BBB O   
2015 C CB  . SER B 62  ? 0.748 0.666 0.717 0.046  -0.128 -0.003 62  SER BBB CB  
2016 O OG  . SER B 62  ? 0.708 0.634 0.690 0.038  -0.126 -0.013 62  SER BBB OG  
2017 N N   . VAL B 63  ? 0.722 0.672 0.774 0.011  -0.107 -0.009 63  VAL BBB N   
2018 C CA  . VAL B 63  ? 0.678 0.653 0.769 0.005  -0.106 -0.018 63  VAL BBB CA  
2019 C C   . VAL B 63  ? 0.656 0.639 0.756 0.006  -0.097 -0.015 63  VAL BBB C   
2020 O O   . VAL B 63  ? 0.650 0.660 0.779 0.007  -0.094 -0.020 63  VAL BBB O   
2021 C CB  . VAL B 63  ? 0.663 0.647 0.770 -0.006 -0.100 -0.019 63  VAL BBB CB  
2022 C CG1 . VAL B 63  ? 0.719 0.688 0.808 -0.001 -0.113 -0.025 63  VAL BBB CG1 
2023 C CG2 . VAL B 63  ? 0.671 0.655 0.772 -0.015 -0.081 -0.009 63  VAL BBB CG2 
2024 N N   . LYS B 64  ? 0.634 0.597 0.714 0.006  -0.094 -0.008 64  LYS BBB N   
2025 C CA  . LYS B 64  ? 0.634 0.598 0.719 0.011  -0.092 -0.011 64  LYS BBB CA  
2026 C C   . LYS B 64  ? 0.626 0.602 0.724 0.026  -0.103 -0.022 64  LYS BBB C   
2027 O O   . LYS B 64  ? 0.635 0.599 0.726 0.033  -0.116 -0.023 64  LYS BBB O   
2028 C CB  . LYS B 64  ? 0.635 0.568 0.703 0.009  -0.097 -0.003 64  LYS BBB CB  
2029 C CG  . LYS B 64  ? 0.646 0.574 0.706 -0.005 -0.085 0.010  64  LYS BBB CG  
2030 C CD  . LYS B 64  ? 0.680 0.585 0.736 -0.010 -0.090 0.021  64  LYS BBB CD  
2031 C CE  . LYS B 64  ? 0.739 0.649 0.795 -0.023 -0.078 0.031  64  LYS BBB CE  
2032 N NZ  . LYS B 64  ? 0.833 0.724 0.892 -0.031 -0.081 0.050  64  LYS BBB NZ  
2033 N N   . GLY B 65  ? 0.623 0.626 0.739 0.033  -0.096 -0.028 65  GLY BBB N   
2034 C CA  . GLY B 65  ? 0.614 0.637 0.743 0.052  -0.104 -0.038 65  GLY BBB CA  
2035 C C   . GLY B 65  ? 0.600 0.657 0.758 0.051  -0.104 -0.038 65  GLY BBB C   
2036 O O   . GLY B 65  ? 0.636 0.719 0.811 0.067  -0.108 -0.044 65  GLY BBB O   
2037 N N   . ARG B 66  ? 0.591 0.647 0.757 0.034  -0.102 -0.032 66  ARG BBB N   
2038 C CA  . ARG B 66  ? 0.617 0.702 0.820 0.029  -0.106 -0.032 66  ARG BBB CA  
2039 C C   . ARG B 66  ? 0.599 0.711 0.831 0.014  -0.089 -0.021 66  ARG BBB C   
2040 O O   . ARG B 66  ? 0.635 0.789 0.910 0.015  -0.084 -0.015 66  ARG BBB O   
2041 C CB  . ARG B 66  ? 0.595 0.655 0.786 0.025  -0.124 -0.037 66  ARG BBB CB  
2042 C CG  . ARG B 66  ? 0.652 0.686 0.811 0.040  -0.138 -0.042 66  ARG BBB CG  
2043 C CD  . ARG B 66  ? 0.690 0.709 0.837 0.044  -0.157 -0.047 66  ARG BBB CD  
2044 N NE  . ARG B 66  ? 0.708 0.706 0.831 0.036  -0.156 -0.045 66  ARG BBB NE  
2045 C CZ  . ARG B 66  ? 0.717 0.720 0.854 0.030  -0.166 -0.052 66  ARG BBB CZ  
2046 N NH1 . ARG B 66  ? 0.706 0.737 0.890 0.026  -0.177 -0.059 66  ARG BBB NH1 
2047 N NH2 . ARG B 66  ? 0.782 0.763 0.889 0.029  -0.165 -0.051 66  ARG BBB NH2 
2048 N N   . PHE B 67  ? 0.622 0.710 0.833 0.003  -0.081 -0.016 67  PHE BBB N   
2049 C CA  . PHE B 67  ? 0.598 0.702 0.831 -0.011 -0.066 -0.005 67  PHE BBB CA  
2050 C C   . PHE B 67  ? 0.579 0.689 0.794 -0.005 -0.048 0.001  67  PHE BBB C   
2051 O O   . PHE B 67  ? 0.612 0.695 0.792 -0.000 -0.051 -0.005 67  PHE BBB O   
2052 C CB  . PHE B 67  ? 0.594 0.668 0.814 -0.024 -0.073 -0.006 67  PHE BBB CB  
2053 C CG  . PHE B 67  ? 0.616 0.681 0.849 -0.026 -0.095 -0.015 67  PHE BBB CG  
2054 C CD1 . PHE B 67  ? 0.596 0.677 0.851 -0.019 -0.109 -0.022 67  PHE BBB CD1 
2055 C CD2 . PHE B 67  ? 0.636 0.674 0.855 -0.032 -0.104 -0.020 67  PHE BBB CD2 
2056 C CE1 . PHE B 67  ? 0.645 0.717 0.909 -0.019 -0.133 -0.034 67  PHE BBB CE1 
2057 C CE2 . PHE B 67  ? 0.672 0.698 0.898 -0.029 -0.128 -0.033 67  PHE BBB CE2 
2058 C CZ  . PHE B 67  ? 0.625 0.668 0.873 -0.023 -0.144 -0.040 67  PHE BBB CZ  
2059 N N   . THR B 68  ? 0.555 0.703 0.799 -0.005 -0.032 0.013  68  THR BBB N   
2060 C CA  . THR B 68  ? 0.561 0.722 0.791 0.003  -0.014 0.020  68  THR BBB CA  
2061 C C   . THR B 68  ? 0.586 0.756 0.835 -0.012 -0.001 0.037  68  THR BBB C   
2062 O O   . THR B 68  ? 0.594 0.790 0.888 -0.021 0.003  0.051  68  THR BBB O   
2063 C CB  . THR B 68  ? 0.558 0.761 0.796 0.026  -0.005 0.021  68  THR BBB CB  
2064 O OG1 . THR B 68  ? 0.571 0.757 0.790 0.039  -0.022 0.003  68  THR BBB OG1 
2065 C CG2 . THR B 68  ? 0.554 0.771 0.770 0.040  0.010  0.025  68  THR BBB CG2 
2066 N N   . ILE B 69  ? 0.600 0.749 0.821 -0.015 0.005  0.038  69  ILE BBB N   
2067 C CA  . ILE B 69  ? 0.585 0.740 0.817 -0.025 0.019  0.055  69  ILE BBB CA  
2068 C C   . ILE B 69  ? 0.533 0.724 0.760 -0.008 0.039  0.066  69  ILE BBB C   
2069 O O   . ILE B 69  ? 0.602 0.793 0.799 0.010  0.036  0.052  69  ILE BBB O   
2070 C CB  . ILE B 69  ? 0.553 0.670 0.758 -0.034 0.015  0.050  69  ILE BBB CB  
2071 C CG1 . ILE B 69  ? 0.581 0.697 0.804 -0.046 0.023  0.065  69  ILE BBB CG1 
2072 C CG2 . ILE B 69  ? 0.561 0.668 0.728 -0.023 0.017  0.042  69  ILE BBB CG2 
2073 C CD1 . ILE B 69  ? 0.618 0.696 0.814 -0.052 0.017  0.058  69  ILE BBB CD1 
2074 N N   . SER B 70  ? 0.534 0.753 0.790 -0.012 0.055  0.089  70  SER BBB N   
2075 C CA  . SER B 70  ? 0.570 0.830 0.822 0.007  0.077  0.106  70  SER BBB CA  
2076 C C   . SER B 70  ? 0.585 0.849 0.859 -0.006 0.090  0.132  70  SER BBB C   
2077 O O   . SER B 70  ? 0.557 0.798 0.860 -0.030 0.080  0.137  70  SER BBB O   
2078 C CB  . SER B 70  ? 0.578 0.890 0.853 0.025  0.086  0.115  70  SER BBB CB  
2079 O OG  . SER B 70  ? 0.583 0.910 0.915 0.006  0.083  0.128  70  SER BBB OG  
2080 N N   . ARG B 71  ? 0.607 0.899 0.866 0.011  0.110  0.149  71  ARG BBB N   
2081 C CA  . ARG B 71  ? 0.631 0.930 0.913 0.000  0.125  0.180  71  ARG BBB CA  
2082 C C   . ARG B 71  ? 0.651 1.008 0.936 0.025  0.152  0.208  71  ARG BBB C   
2083 O O   . ARG B 71  ? 0.643 1.022 0.889 0.055  0.155  0.194  71  ARG BBB O   
2084 C CB  . ARG B 71  ? 0.616 0.872 0.864 -0.005 0.118  0.170  71  ARG BBB CB  
2085 C CG  . ARG B 71  ? 0.633 0.891 0.827 0.019  0.121  0.154  71  ARG BBB CG  
2086 C CD  . ARG B 71  ? 0.636 0.852 0.803 0.011  0.111  0.143  71  ARG BBB CD  
2087 N NE  . ARG B 71  ? 0.610 0.817 0.798 -0.002 0.120  0.167  71  ARG BBB NE  
2088 C CZ  . ARG B 71  ? 0.621 0.792 0.799 -0.012 0.112  0.162  71  ARG BBB CZ  
2089 N NH1 . ARG B 71  ? 0.696 0.841 0.844 -0.013 0.098  0.136  71  ARG BBB NH1 
2090 N NH2 . ARG B 71  ? 0.646 0.809 0.847 -0.022 0.118  0.185  71  ARG BBB NH2 
2091 N N   . ASP B 72  ? 0.679 1.061 1.011 0.013  0.168  0.247  72  ASP BBB N   
2092 C CA  . ASP B 72  ? 0.668 1.111 1.007 0.036  0.199  0.285  72  ASP BBB CA  
2093 C C   . ASP B 72  ? 0.644 1.065 0.975 0.029  0.207  0.306  72  ASP BBB C   
2094 O O   . ASP B 72  ? 0.621 1.018 1.000 -0.001 0.201  0.325  72  ASP BBB O   
2095 C CB  . ASP B 72  ? 0.669 1.164 1.079 0.027  0.213  0.322  72  ASP BBB CB  
2096 C CG  . ASP B 72  ? 0.705 1.275 1.116 0.060  0.248  0.360  72  ASP BBB CG  
2097 O OD1 . ASP B 72  ? 0.754 1.330 1.135 0.075  0.264  0.378  72  ASP BBB OD1 
2098 O OD2 . ASP B 72  ? 0.725 1.352 1.165 0.072  0.259  0.372  72  ASP BBB OD2 
2099 N N   . TYR B 73  ? 0.659 1.085 0.933 0.057  0.214  0.299  73  TYR BBB N   
2100 C CA  . TYR B 73  ? 0.715 1.122 0.974 0.057  0.222  0.317  73  TYR BBB CA  
2101 C C   . TYR B 73  ? 0.758 1.210 1.063 0.057  0.250  0.375  73  TYR BBB C   
2102 O O   . TYR B 73  ? 0.777 1.200 1.109 0.035  0.250  0.398  73  TYR BBB O   
2103 C CB  . TYR B 73  ? 0.721 1.130 0.909 0.090  0.221  0.294  73  TYR BBB CB  
2104 C CG  . TYR B 73  ? 0.699 1.058 0.852 0.084  0.192  0.245  73  TYR BBB CG  
2105 C CD1 . TYR B 73  ? 0.687 0.995 0.834 0.064  0.178  0.234  73  TYR BBB CD1 
2106 C CD2 . TYR B 73  ? 0.679 1.043 0.806 0.100  0.180  0.212  73  TYR BBB CD2 
2107 C CE1 . TYR B 73  ? 0.670 0.941 0.790 0.058  0.155  0.195  73  TYR BBB CE1 
2108 C CE2 . TYR B 73  ? 0.700 1.020 0.802 0.092  0.154  0.173  73  TYR BBB CE2 
2109 C CZ  . TYR B 73  ? 0.673 0.950 0.773 0.071  0.144  0.167  73  TYR BBB CZ  
2110 O OH  . TYR B 73  ? 0.672 0.913 0.751 0.063  0.122  0.135  73  TYR BBB OH  
2111 N N   . GLY B 74  ? 0.747 1.267 1.061 0.081  0.273  0.399  74  GLY BBB N   
2112 C CA  . GLY B 74  ? 0.814 1.390 1.179 0.083  0.304  0.461  74  GLY BBB CA  
2113 C C   . GLY B 74  ? 0.828 1.382 1.279 0.036  0.296  0.487  74  GLY BBB C   
2114 O O   . GLY B 74  ? 0.860 1.412 1.348 0.022  0.308  0.531  74  GLY BBB O   
2115 N N   . LYS B 75  ? 0.802 1.339 1.286 0.013  0.274  0.461  75  LYS BBB N   
2116 C CA  . LYS B 75  ? 0.799 1.315 1.369 -0.030 0.259  0.479  75  LYS BBB CA  
2117 C C   . LYS B 75  ? 0.741 1.169 1.298 -0.056 0.226  0.445  75  LYS BBB C   
2118 O O   . LYS B 75  ? 0.704 1.102 1.323 -0.090 0.206  0.452  75  LYS BBB O   
2119 C CB  . LYS B 75  ? 0.800 1.346 1.408 -0.036 0.251  0.466  75  LYS BBB CB  
2120 C CG  . LYS B 75  ? 0.813 1.453 1.439 -0.008 0.283  0.498  75  LYS BBB CG  
2121 C CD  . LYS B 75  ? 0.811 1.478 1.465 -0.009 0.272  0.478  75  LYS BBB CD  
2122 C CE  . LYS B 75  ? 0.811 1.574 1.523 0.005  0.303  0.527  75  LYS BBB CE  
2123 N NZ  . LYS B 75  ? 0.788 1.568 1.565 -0.015 0.286  0.519  75  LYS BBB NZ  
2124 N N   . ASN B 76  ? 0.772 1.164 1.252 -0.039 0.218  0.409  76  ASN BBB N   
2125 C CA  . ASN B 76  ? 0.775 1.091 1.234 -0.056 0.192  0.380  76  ASN BBB CA  
2126 C C   . ASN B 76  ? 0.746 1.025 1.233 -0.081 0.160  0.348  76  ASN BBB C   
2127 O O   . ASN B 76  ? 0.717 0.944 1.227 -0.103 0.138  0.342  76  ASN BBB O   
2128 C CB  . ASN B 76  ? 0.822 1.115 1.311 -0.069 0.196  0.416  76  ASN BBB CB  
2129 C CG  . ASN B 76  ? 0.833 1.055 1.287 -0.076 0.172  0.385  76  ASN BBB CG  
2130 O OD1 . ASN B 76  ? 0.936 1.146 1.324 -0.058 0.170  0.354  76  ASN BBB OD1 
2131 N ND2 . ASN B 76  ? 0.839 1.015 1.339 -0.102 0.151  0.391  76  ASN BBB ND2 
2132 N N   . THR B 77  ? 0.695 0.999 1.177 -0.074 0.157  0.327  77  THR BBB N   
2133 C CA  . THR B 77  ? 0.694 0.967 1.197 -0.093 0.127  0.296  77  THR BBB CA  
2134 C C   . THR B 77  ? 0.613 0.875 1.054 -0.076 0.118  0.253  77  THR BBB C   
2135 O O   . THR B 77  ? 0.583 0.877 0.985 -0.051 0.134  0.250  77  THR BBB O   
2136 C CB  . THR B 77  ? 0.742 1.054 1.323 -0.109 0.126  0.319  77  THR BBB CB  
2137 O OG1 . THR B 77  ? 0.783 1.156 1.355 -0.086 0.145  0.323  77  THR BBB OG1 
2138 C CG2 . THR B 77  ? 0.717 1.045 1.370 -0.128 0.136  0.369  77  THR BBB CG2 
2139 N N   . VAL B 78  ? 0.609 0.828 1.045 -0.089 0.090  0.221  78  VAL BBB N   
2140 C CA  . VAL B 78  ? 0.614 0.820 1.005 -0.077 0.078  0.184  78  VAL BBB CA  
2141 C C   . VAL B 78  ? 0.627 0.840 1.059 -0.088 0.061  0.176  78  VAL BBB C   
2142 O O   . VAL B 78  ? 0.610 0.811 1.093 -0.109 0.047  0.185  78  VAL BBB O   
2143 C CB  . VAL B 78  ? 0.612 0.764 0.953 -0.078 0.063  0.158  78  VAL BBB CB  
2144 C CG1 . VAL B 78  ? 0.579 0.720 0.879 -0.068 0.052  0.127  78  VAL BBB CG1 
2145 C CG2 . VAL B 78  ? 0.603 0.755 0.914 -0.068 0.079  0.169  78  VAL BBB CG2 
2146 N N   . TYR B 79  ? 0.623 0.854 1.034 -0.074 0.059  0.158  79  TYR BBB N   
2147 C CA  . TYR B 79  ? 0.634 0.880 1.080 -0.078 0.045  0.150  79  TYR BBB CA  
2148 C C   . TYR B 79  ? 0.608 0.817 1.007 -0.072 0.024  0.114  79  TYR BBB C   
2149 O O   . TYR B 79  ? 0.560 0.756 0.906 -0.058 0.030  0.101  79  TYR BBB O   
2150 C CB  . TYR B 79  ? 0.621 0.932 1.090 -0.062 0.065  0.168  79  TYR BBB CB  
2151 C CG  . TYR B 79  ? 0.620 0.979 1.128 -0.062 0.092  0.210  79  TYR BBB CG  
2152 C CD1 . TYR B 79  ? 0.641 1.024 1.228 -0.084 0.092  0.240  79  TYR BBB CD1 
2153 C CD2 . TYR B 79  ? 0.588 0.973 1.057 -0.038 0.117  0.221  79  TYR BBB CD2 
2154 C CE1 . TYR B 79  ? 0.631 1.062 1.259 -0.084 0.119  0.285  79  TYR BBB CE1 
2155 C CE2 . TYR B 79  ? 0.629 1.064 1.130 -0.033 0.145  0.263  79  TYR BBB CE2 
2156 C CZ  . TYR B 79  ? 0.648 1.107 1.230 -0.057 0.148  0.298  79  TYR BBB CZ  
2157 O OH  . TYR B 79  ? 0.672 1.183 1.291 -0.053 0.177  0.347  79  TYR BBB OH  
2158 N N   . LEU B 80  ? 0.610 0.805 1.032 -0.081 0.000  0.100  80  LEU BBB N   
2159 C CA  . LEU B 80  ? 0.572 0.744 0.957 -0.072 -0.017 0.072  80  LEU BBB CA  
2160 C C   . LEU B 80  ? 0.557 0.767 0.980 -0.067 -0.023 0.073  80  LEU BBB C   
2161 O O   . LEU B 80  ? 0.592 0.809 1.067 -0.082 -0.038 0.077  80  LEU BBB O   
2162 C CB  . LEU B 80  ? 0.571 0.693 0.938 -0.080 -0.042 0.053  80  LEU BBB CB  
2163 C CG  . LEU B 80  ? 0.591 0.689 0.911 -0.067 -0.055 0.030  80  LEU BBB CG  
2164 C CD1 . LEU B 80  ? 0.596 0.686 0.865 -0.056 -0.039 0.028  80  LEU BBB CD1 
2165 C CD2 . LEU B 80  ? 0.606 0.662 0.908 -0.069 -0.079 0.012  80  LEU BBB CD2 
2166 N N   . GLN B 81  ? 0.589 0.823 0.991 -0.047 -0.012 0.069  81  GLN BBB N   
2167 C CA  . GLN B 81  ? 0.583 0.855 1.014 -0.037 -0.017 0.067  81  GLN BBB CA  
2168 C C   . GLN B 81  ? 0.584 0.818 0.987 -0.033 -0.044 0.040  81  GLN BBB C   
2169 O O   . GLN B 81  ? 0.602 0.806 0.950 -0.021 -0.045 0.026  81  GLN BBB O   
2170 C CB  . GLN B 81  ? 0.603 0.914 1.017 -0.011 0.003  0.072  81  GLN BBB CB  
2171 C CG  . GLN B 81  ? 0.616 0.974 1.064 0.003  0.001  0.072  81  GLN BBB CG  
2172 C CD  . GLN B 81  ? 0.606 1.010 1.133 -0.013 0.002  0.096  81  GLN BBB CD  
2173 O OE1 . GLN B 81  ? 0.614 1.046 1.177 -0.024 0.020  0.124  81  GLN BBB OE1 
2174 N NE2 . GLN B 81  ? 0.572 0.985 1.131 -0.016 -0.019 0.086  81  GLN BBB NE2 
2175 N N   . MET B 82  ? 0.560 0.794 1.001 -0.044 -0.065 0.035  82  MET BBB N   
2176 C CA  . MET B 82  ? 0.620 0.817 1.034 -0.040 -0.093 0.011  82  MET BBB CA  
2177 C C   . MET B 82  ? 0.624 0.851 1.060 -0.027 -0.104 0.005  82  MET BBB C   
2178 O O   . MET B 82  ? 0.617 0.869 1.110 -0.036 -0.118 0.007  82  MET BBB O   
2179 C CB  . MET B 82  ? 0.646 0.816 1.080 -0.057 -0.115 0.005  82  MET BBB CB  
2180 C CG  . MET B 82  ? 0.678 0.815 1.088 -0.066 -0.107 0.009  82  MET BBB CG  
2181 S SD  . MET B 82  ? 0.788 0.892 1.225 -0.082 -0.138 -0.002 82  MET BBB SD  
2182 C CE  . MET B 82  ? 0.754 0.814 1.120 -0.062 -0.161 -0.031 82  MET BBB CE  
2183 N N   . ASN B 83  ? 0.602 0.825 0.997 -0.006 -0.099 -0.004 83  ASN BBB N   
2184 C CA  . ASN B 83  ? 0.599 0.845 1.004 0.012  -0.111 -0.013 83  ASN BBB CA  
2185 C C   . ASN B 83  ? 0.615 0.814 0.977 0.020  -0.135 -0.032 83  ASN BBB C   
2186 O O   . ASN B 83  ? 0.645 0.799 0.964 0.014  -0.137 -0.036 83  ASN BBB O   
2187 C CB  . ASN B 83  ? 0.597 0.868 0.986 0.035  -0.092 -0.010 83  ASN BBB CB  
2188 C CG  . ASN B 83  ? 0.594 0.917 1.019 0.034  -0.066 0.012  83  ASN BBB CG  
2189 O OD1 . ASN B 83  ? 0.641 0.999 1.124 0.017  -0.062 0.029  83  ASN BBB OD1 
2190 N ND2 . ASN B 83  ? 0.587 0.915 0.977 0.052  -0.048 0.013  83  ASN BBB ND2 
2191 N N   . SER B 84  ? 0.624 0.837 0.997 0.034  -0.151 -0.041 84  SER BBB N   
2192 C CA  . SER B 84  ? 0.655 0.829 0.983 0.048  -0.173 -0.056 84  SER BBB CA  
2193 C C   . SER B 84  ? 0.678 0.817 0.991 0.036  -0.190 -0.063 84  SER BBB C   
2194 O O   . SER B 84  ? 0.711 0.808 0.969 0.043  -0.194 -0.067 84  SER BBB O   
2195 C CB  . SER B 84  ? 0.680 0.820 0.952 0.061  -0.163 -0.057 84  SER BBB CB  
2196 O OG  . SER B 84  ? 0.670 0.839 0.953 0.076  -0.151 -0.055 84  SER BBB OG  
2197 N N   . LEU B 85  ? 0.691 0.850 1.054 0.021  -0.201 -0.064 85  LEU BBB N   
2198 C CA  . LEU B 85  ? 0.713 0.839 1.065 0.012  -0.219 -0.074 85  LEU BBB CA  
2199 C C   . LEU B 85  ? 0.762 0.866 1.082 0.031  -0.249 -0.093 85  LEU BBB C   
2200 O O   . LEU B 85  ? 0.749 0.876 1.087 0.043  -0.261 -0.098 85  LEU BBB O   
2201 C CB  . LEU B 85  ? 0.735 0.887 1.160 -0.010 -0.227 -0.070 85  LEU BBB CB  
2202 C CG  . LEU B 85  ? 0.713 0.873 1.156 -0.028 -0.200 -0.050 85  LEU BBB CG  
2203 C CD1 . LEU B 85  ? 0.691 0.887 1.219 -0.049 -0.206 -0.038 85  LEU BBB CD1 
2204 C CD2 . LEU B 85  ? 0.714 0.824 1.106 -0.031 -0.199 -0.056 85  LEU BBB CD2 
2205 N N   . LYS B 86  ? 0.775 0.838 1.047 0.036  -0.260 -0.102 86  LYS BBB N   
2206 C CA  . LYS B 86  ? 0.814 0.854 1.040 0.060  -0.285 -0.118 86  LYS BBB CA  
2207 C C   . LYS B 86  ? 0.849 0.866 1.066 0.060  -0.309 -0.135 86  LYS BBB C   
2208 O O   . LYS B 86  ? 0.873 0.880 1.099 0.045  -0.300 -0.131 86  LYS BBB O   
2209 C CB  . LYS B 86  ? 0.806 0.817 0.962 0.075  -0.268 -0.106 86  LYS BBB CB  
2210 C CG  . LYS B 86  ? 0.814 0.835 0.971 0.074  -0.245 -0.091 86  LYS BBB CG  
2211 C CD  . LYS B 86  ? 0.882 0.871 0.980 0.083  -0.231 -0.078 86  LYS BBB CD  
2212 C CE  . LYS B 86  ? 0.882 0.870 0.977 0.089  -0.220 -0.068 86  LYS BBB CE  
2213 N NZ  . LYS B 86  ? 0.909 0.863 0.956 0.093  -0.208 -0.052 86  LYS BBB NZ  
2214 N N   . PRO B 87  ? 0.875 0.879 1.067 0.083  -0.342 -0.155 87  PRO BBB N   
2215 C CA  . PRO B 87  ? 0.914 0.893 1.090 0.090  -0.370 -0.176 87  PRO BBB CA  
2216 C C   . PRO B 87  ? 0.922 0.872 1.045 0.093  -0.350 -0.170 87  PRO BBB C   
2217 O O   . PRO B 87  ? 0.932 0.867 1.067 0.088  -0.366 -0.184 87  PRO BBB O   
2218 C CB  . PRO B 87  ? 0.937 0.906 1.068 0.124  -0.401 -0.195 87  PRO BBB CB  
2219 C CG  . PRO B 87  ? 0.905 0.903 1.063 0.126  -0.398 -0.187 87  PRO BBB CG  
2220 C CD  . PRO B 87  ? 0.884 0.895 1.056 0.105  -0.356 -0.159 87  PRO BBB CD  
2221 N N   . GLU B 88  ? 0.909 0.853 0.983 0.099  -0.317 -0.148 88  GLU BBB N   
2222 C CA  . GLU B 88  ? 0.933 0.856 0.956 0.103  -0.295 -0.138 88  GLU BBB CA  
2223 C C   . GLU B 88  ? 0.903 0.829 0.968 0.075  -0.279 -0.131 88  GLU BBB C   
2224 O O   . GLU B 88  ? 0.927 0.837 0.960 0.078  -0.267 -0.128 88  GLU BBB O   
2225 C CB  . GLU B 88  ? 0.967 0.889 0.945 0.111  -0.266 -0.113 88  GLU BBB CB  
2226 C CG  . GLU B 88  ? 0.949 0.883 0.959 0.087  -0.236 -0.092 88  GLU BBB CG  
2227 C CD  . GLU B 88  ? 1.018 0.950 1.004 0.093  -0.221 -0.072 88  GLU BBB CD  
2228 O OE1 . GLU B 88  ? 0.928 0.857 0.911 0.081  -0.195 -0.053 88  GLU BBB OE1 
2229 O OE2 . GLU B 88  ? 0.912 0.844 0.887 0.110  -0.237 -0.076 88  GLU BBB OE2 
2230 N N   . ASP B 89  ? 0.835 0.785 0.967 0.051  -0.276 -0.127 89  ASP BBB N   
2231 C CA  . ASP B 89  ? 0.806 0.764 0.983 0.024  -0.259 -0.115 89  ASP BBB CA  
2232 C C   . ASP B 89  ? 0.832 0.778 1.047 0.016  -0.287 -0.133 89  ASP BBB C   
2233 O O   . ASP B 89  ? 0.817 0.759 1.056 -0.002 -0.276 -0.124 89  ASP BBB O   
2234 C CB  . ASP B 89  ? 0.750 0.745 0.979 0.007  -0.241 -0.099 89  ASP BBB CB  
2235 C CG  . ASP B 89  ? 0.754 0.754 0.949 0.016  -0.216 -0.085 89  ASP BBB CG  
2236 O OD1 . ASP B 89  ? 0.795 0.773 0.937 0.023  -0.202 -0.078 89  ASP BBB OD1 
2237 O OD2 . ASP B 89  ? 0.755 0.781 0.978 0.015  -0.213 -0.080 89  ASP BBB OD2 
2238 N N   . THR B 90  ? 0.827 0.764 1.046 0.029  -0.326 -0.157 90  THR BBB N   
2239 C CA  . THR B 90  ? 0.856 0.775 1.115 0.023  -0.363 -0.178 90  THR BBB CA  
2240 C C   . THR B 90  ? 0.848 0.733 1.067 0.028  -0.357 -0.182 90  THR BBB C   
2241 O O   . THR B 90  ? 0.926 0.793 1.068 0.057  -0.354 -0.189 90  THR BBB O   
2242 C CB  . THR B 90  ? 0.871 0.783 1.124 0.045  -0.409 -0.208 90  THR BBB CB  
2243 O OG1 . THR B 90  ? 0.863 0.812 1.174 0.033  -0.413 -0.201 90  THR BBB OG1 
2244 C CG2 . THR B 90  ? 0.888 0.769 1.167 0.046  -0.455 -0.237 90  THR BBB CG2 
2245 N N   . ALA B 91  ? 0.804 0.683 1.073 0.004  -0.355 -0.174 91  ALA BBB N   
2246 C CA  . ALA B 91  ? 0.875 0.721 1.113 0.009  -0.351 -0.178 91  ALA BBB CA  
2247 C C   . ALA B 91  ? 0.853 0.697 1.164 -0.023 -0.349 -0.163 91  ALA BBB C   
2248 O O   . ALA B 91  ? 0.845 0.723 1.225 -0.049 -0.339 -0.142 91  ALA BBB O   
2249 C CB  . ALA B 91  ? 0.868 0.719 1.040 0.020  -0.309 -0.159 91  ALA BBB CB  
2250 N N   . MET B 92  ? 0.890 0.698 1.184 -0.019 -0.357 -0.172 92  MET BBB N   
2251 C CA  . MET B 92  ? 0.921 0.724 1.264 -0.045 -0.343 -0.150 92  MET BBB CA  
2252 C C   . MET B 92  ? 0.862 0.691 1.174 -0.049 -0.290 -0.120 92  MET BBB C   
2253 O O   . MET B 92  ? 0.832 0.654 1.070 -0.026 -0.274 -0.125 92  MET BBB O   
2254 C CB  . MET B 92  ? 1.004 0.755 1.331 -0.034 -0.369 -0.171 92  MET BBB CB  
2255 C CG  . MET B 92  ? 1.186 0.903 1.561 -0.036 -0.427 -0.199 92  MET BBB CG  
2256 S SD  . MET B 92  ? 1.246 0.941 1.724 -0.075 -0.444 -0.181 92  MET BBB SD  
2257 C CE  . MET B 92  ? 1.189 0.945 1.768 -0.112 -0.434 -0.149 92  MET BBB CE  
2258 N N   . TYR B 93  ? 0.812 0.673 1.179 -0.075 -0.264 -0.089 93  TYR BBB N   
2259 C CA  . TYR B 93  ? 0.766 0.652 1.110 -0.079 -0.218 -0.062 93  TYR BBB CA  
2260 C C   . TYR B 93  ? 0.788 0.660 1.155 -0.092 -0.208 -0.045 93  TYR BBB C   
2261 O O   . TYR B 93  ? 0.774 0.645 1.212 -0.113 -0.223 -0.035 93  TYR BBB O   
2262 C CB  . TYR B 93  ? 0.742 0.678 1.121 -0.091 -0.196 -0.041 93  TYR BBB CB  
2263 C CG  . TYR B 93  ? 0.739 0.686 1.079 -0.074 -0.197 -0.053 93  TYR BBB CG  
2264 C CD1 . TYR B 93  ? 0.754 0.691 1.099 -0.065 -0.231 -0.077 93  TYR BBB CD1 
2265 C CD2 . TYR B 93  ? 0.712 0.677 1.012 -0.066 -0.167 -0.043 93  TYR BBB CD2 
2266 C CE1 . TYR B 93  ? 0.746 0.692 1.055 -0.048 -0.233 -0.086 93  TYR BBB CE1 
2267 C CE2 . TYR B 93  ? 0.711 0.682 0.979 -0.051 -0.171 -0.052 93  TYR BBB CE2 
2268 C CZ  . TYR B 93  ? 0.694 0.656 0.966 -0.041 -0.202 -0.072 93  TYR BBB CZ  
2269 O OH  . TYR B 93  ? 0.726 0.693 0.965 -0.025 -0.206 -0.079 93  TYR BBB OH  
2270 N N   . TYR B 94  ? 0.777 0.640 1.090 -0.080 -0.185 -0.041 94  TYR BBB N   
2271 C CA  . TYR B 94  ? 0.805 0.653 1.125 -0.087 -0.173 -0.026 94  TYR BBB CA  
2272 C C   . TYR B 94  ? 0.726 0.608 1.027 -0.089 -0.131 -0.001 94  TYR BBB C   
2273 O O   . TYR B 94  ? 0.770 0.662 1.021 -0.075 -0.117 -0.007 94  TYR BBB O   
2274 C CB  . TYR B 94  ? 0.846 0.651 1.114 -0.065 -0.188 -0.049 94  TYR BBB CB  
2275 C CG  . TYR B 94  ? 0.869 0.635 1.140 -0.054 -0.234 -0.081 94  TYR BBB CG  
2276 C CD1 . TYR B 94  ? 0.867 0.632 1.096 -0.033 -0.250 -0.105 94  TYR BBB CD1 
2277 C CD2 . TYR B 94  ? 0.910 0.638 1.222 -0.063 -0.264 -0.087 94  TYR BBB CD2 
2278 C CE1 . TYR B 94  ? 0.971 0.702 1.197 -0.018 -0.295 -0.138 94  TYR BBB CE1 
2279 C CE2 . TYR B 94  ? 0.966 0.655 1.282 -0.050 -0.312 -0.121 94  TYR BBB CE2 
2280 C CZ  . TYR B 94  ? 1.002 0.693 1.271 -0.026 -0.328 -0.148 94  TYR BBB CZ  
2281 O OH  . TYR B 94  ? 1.100 0.754 1.365 -0.008 -0.377 -0.185 94  TYR BBB OH  
2282 N N   . CYS B 95  ? 0.687 0.585 1.027 -0.104 -0.113 0.026  95  CYS BBB N   
2283 C CA  . CYS B 95  ? 0.717 0.638 1.030 -0.100 -0.078 0.045  95  CYS BBB CA  
2284 C C   . CYS B 95  ? 0.679 0.569 0.961 -0.091 -0.077 0.043  95  CYS BBB C   
2285 O O   . CYS B 95  ? 0.694 0.548 0.993 -0.093 -0.101 0.035  95  CYS BBB O   
2286 C CB  . CYS B 95  ? 0.751 0.712 1.113 -0.114 -0.056 0.077  95  CYS BBB CB  
2287 S SG  . CYS B 95  ? 0.856 0.805 1.289 -0.134 -0.065 0.103  95  CYS BBB SG  
2288 N N   . ALA B 96  ? 0.656 0.558 0.893 -0.080 -0.054 0.047  96  ALA BBB N   
2289 C CA  . ALA B 96  ? 0.667 0.547 0.873 -0.069 -0.050 0.045  96  ALA BBB CA  
2290 C C   . ALA B 96  ? 0.635 0.545 0.826 -0.066 -0.020 0.064  96  ALA BBB C   
2291 O O   . ALA B 96  ? 0.648 0.588 0.832 -0.067 -0.006 0.068  96  ALA BBB O   
2292 C CB  . ALA B 96  ? 0.693 0.553 0.850 -0.049 -0.063 0.020  96  ALA BBB CB  
2293 N N   . ALA B 97  ? 0.657 0.555 0.842 -0.062 -0.014 0.074  97  ALA BBB N   
2294 C CA  . ALA B 97  ? 0.620 0.544 0.792 -0.058 0.011  0.092  97  ALA BBB CA  
2295 C C   . ALA B 97  ? 0.605 0.521 0.732 -0.041 0.014  0.082  97  ALA BBB C   
2296 O O   . ALA B 97  ? 0.651 0.535 0.768 -0.033 0.000  0.071  97  ALA BBB O   
2297 C CB  . ALA B 97  ? 0.644 0.568 0.853 -0.066 0.018  0.119  97  ALA BBB CB  
2298 N N   . LEU B 98  ? 0.579 0.524 0.684 -0.035 0.030  0.084  98  LEU BBB N   
2299 C CA  . LEU B 98  ? 0.654 0.599 0.728 -0.021 0.036  0.081  98  LEU BBB CA  
2300 C C   . LEU B 98  ? 0.636 0.609 0.707 -0.018 0.052  0.096  98  LEU BBB C   
2301 O O   . LEU B 98  ? 0.710 0.705 0.796 -0.024 0.060  0.104  98  LEU BBB O   
2302 C CB  . LEU B 98  ? 0.680 0.631 0.726 -0.013 0.032  0.066  98  LEU BBB CB  
2303 C CG  . LEU B 98  ? 0.660 0.637 0.705 -0.019 0.038  0.066  98  LEU BBB CG  
2304 C CD1 . LEU B 98  ? 0.613 0.616 0.653 -0.016 0.050  0.074  98  LEU BBB CD1 
2305 C CD2 . LEU B 98  ? 0.693 0.668 0.718 -0.014 0.033  0.056  98  LEU BBB CD2 
2306 N N   . GLN B 99  ? 0.669 0.644 0.722 -0.006 0.057  0.098  99  GLN BBB N   
2307 C CA  . GLN B 99  ? 0.638 0.636 0.684 0.001  0.069  0.110  99  GLN BBB CA  
2308 C C   . GLN B 99  ? 0.605 0.623 0.631 0.009  0.070  0.100  99  GLN BBB C   
2309 O O   . GLN B 99  ? 0.555 0.568 0.568 0.020  0.069  0.098  99  GLN BBB O   
2310 C CB  . GLN B 99  ? 0.663 0.643 0.712 0.008  0.072  0.124  99  GLN BBB CB  
2311 C CG  . GLN B 99  ? 0.685 0.690 0.736 0.014  0.086  0.144  99  GLN BBB CG  
2312 C CD  . GLN B 99  ? 0.736 0.725 0.791 0.022  0.089  0.163  99  GLN BBB CD  
2313 O OE1 . GLN B 99  ? 0.724 0.676 0.792 0.017  0.080  0.166  99  GLN BBB OE1 
2314 N NE2 . GLN B 99  ? 0.708 0.721 0.750 0.035  0.101  0.177  99  GLN BBB NE2 
2315 N N   . GLY B 100 ? 0.562 0.601 0.590 0.004  0.070  0.094  100 GLY BBB N   
2316 C CA  . GLY B 100 ? 0.560 0.619 0.580 0.006  0.068  0.088  100 GLY BBB CA  
2317 C C   . GLY B 100 ? 0.534 0.616 0.555 0.010  0.069  0.088  100 GLY BBB C   
2318 O O   . GLY B 100 ? 0.484 0.569 0.502 0.017  0.075  0.097  100 GLY BBB O   
2319 N N   . SER B 101 ? 0.547 0.646 0.572 0.007  0.061  0.081  101 SER BBB N   
2320 C CA  . SER B 101 ? 0.536 0.653 0.560 0.014  0.055  0.075  101 SER BBB CA  
2321 C C   . SER B 101 ? 0.561 0.674 0.585 0.013  0.054  0.071  101 SER BBB C   
2322 O O   . SER B 101 ? 0.534 0.632 0.564 0.003  0.056  0.072  101 SER BBB O   
2323 C CB  . SER B 101 ? 0.540 0.670 0.577 0.008  0.042  0.067  101 SER BBB CB  
2324 O OG  . SER B 101 ? 0.560 0.681 0.610 -0.006 0.038  0.066  101 SER BBB OG  
2325 N N   . TYR B 102 ? 0.589 0.717 0.604 0.026  0.049  0.065  102 TYR BBB N   
2326 C CA  . TYR B 102 ? 0.595 0.730 0.606 0.034  0.052  0.063  102 TYR BBB CA  
2327 C C   . TYR B 102 ? 0.576 0.698 0.599 0.022  0.044  0.054  102 TYR BBB C   
2328 O O   . TYR B 102 ? 0.561 0.682 0.587 0.022  0.052  0.059  102 TYR BBB O   
2329 C CB  . TYR B 102 ? 0.626 0.781 0.619 0.057  0.044  0.053  102 TYR BBB CB  
2330 C CG  . TYR B 102 ? 0.617 0.788 0.596 0.076  0.052  0.056  102 TYR BBB CG  
2331 C CD1 . TYR B 102 ? 0.659 0.838 0.641 0.078  0.074  0.080  102 TYR BBB CD1 
2332 C CD2 . TYR B 102 ? 0.653 0.834 0.619 0.095  0.037  0.036  102 TYR BBB CD2 
2333 C CE1 . TYR B 102 ? 0.621 0.826 0.594 0.098  0.085  0.088  102 TYR BBB CE1 
2334 C CE2 . TYR B 102 ? 0.666 0.869 0.614 0.119  0.045  0.039  102 TYR BBB CE2 
2335 C CZ  . TYR B 102 ? 0.627 0.846 0.580 0.121  0.072  0.067  102 TYR BBB CZ  
2336 O OH  . TYR B 102 ? 0.667 0.916 0.606 0.147  0.083  0.074  102 TYR BBB OH  
2337 N N   . TYR B 103 ? 0.556 0.667 0.587 0.011  0.029  0.044  103 TYR BBB N   
2338 C CA  . TYR B 103 ? 0.551 0.649 0.592 0.002  0.018  0.035  103 TYR BBB CA  
2339 C C   . TYR B 103 ? 0.548 0.631 0.600 -0.015 0.023  0.043  103 TYR BBB C   
2340 O O   . TYR B 103 ? 0.615 0.685 0.673 -0.023 0.015  0.039  103 TYR BBB O   
2341 C CB  . TYR B 103 ? 0.589 0.685 0.638 0.002  -0.004 0.020  103 TYR BBB CB  
2342 C CG  . TYR B 103 ? 0.627 0.735 0.660 0.025  -0.014 0.005  103 TYR BBB CG  
2343 C CD1 . TYR B 103 ? 0.648 0.767 0.663 0.044  -0.007 0.003  103 TYR BBB CD1 
2344 C CD2 . TYR B 103 ? 0.668 0.780 0.706 0.029  -0.033 -0.005 103 TYR BBB CD2 
2345 C CE1 . TYR B 103 ? 0.730 0.864 0.724 0.071  -0.016 -0.011 103 TYR BBB CE1 
2346 C CE2 . TYR B 103 ? 0.687 0.811 0.707 0.054  -0.047 -0.023 103 TYR BBB CE2 
2347 C CZ  . TYR B 103 ? 0.722 0.856 0.715 0.078  -0.038 -0.026 103 TYR BBB CZ  
2348 O OH  . TYR B 103 ? 0.759 0.907 0.726 0.109  -0.050 -0.043 103 TYR BBB OH  
2349 N N   . TYR B 104 ? 0.533 0.616 0.582 -0.018 0.034  0.054  104 TYR BBB N   
2350 C CA  . TYR B 104 ? 0.535 0.605 0.587 -0.027 0.036  0.059  104 TYR BBB CA  
2351 C C   . TYR B 104 ? 0.513 0.568 0.565 -0.031 0.037  0.058  104 TYR BBB C   
2352 O O   . TYR B 104 ? 0.514 0.571 0.568 -0.027 0.043  0.060  104 TYR BBB O   
2353 C CB  . TYR B 104 ? 0.548 0.620 0.592 -0.023 0.046  0.067  104 TYR BBB CB  
2354 C CG  . TYR B 104 ? 0.533 0.597 0.573 -0.025 0.047  0.071  104 TYR BBB CG  
2355 C CD1 . TYR B 104 ? 0.530 0.607 0.576 -0.028 0.046  0.077  104 TYR BBB CD1 
2356 C CD2 . TYR B 104 ? 0.548 0.593 0.580 -0.023 0.048  0.069  104 TYR BBB CD2 
2357 C CE1 . TYR B 104 ? 0.542 0.618 0.580 -0.026 0.049  0.083  104 TYR BBB CE1 
2358 C CE2 . TYR B 104 ? 0.550 0.588 0.571 -0.020 0.047  0.069  104 TYR BBB CE2 
2359 C CZ  . TYR B 104 ? 0.548 0.604 0.569 -0.019 0.050  0.077  104 TYR BBB CZ  
2360 O OH  . TYR B 104 ? 0.577 0.634 0.584 -0.010 0.052  0.081  104 TYR BBB OH  
2361 N N   . THR B 105 ? 0.538 0.583 0.591 -0.037 0.031  0.056  105 THR BBB N   
2362 C CA  . THR B 105 ? 0.547 0.578 0.601 -0.040 0.029  0.054  105 THR BBB CA  
2363 C C   . THR B 105 ? 0.589 0.612 0.632 -0.039 0.028  0.058  105 THR BBB C   
2364 O O   . THR B 105 ? 0.534 0.567 0.577 -0.041 0.029  0.065  105 THR BBB O   
2365 C CB  . THR B 105 ? 0.553 0.581 0.613 -0.042 0.020  0.047  105 THR BBB CB  
2366 O OG1 . THR B 105 ? 0.531 0.557 0.594 -0.046 0.012  0.048  105 THR BBB OG1 
2367 C CG2 . THR B 105 ? 0.568 0.609 0.634 -0.035 0.022  0.043  105 THR BBB CG2 
2368 N N   . GLY B 106 ? 0.700 0.710 0.736 -0.036 0.025  0.054  106 GLY BBB N   
2369 C CA  . GLY B 106 ? 0.649 0.653 0.668 -0.030 0.023  0.056  106 GLY BBB CA  
2370 C C   . GLY B 106 ? 0.681 0.667 0.692 -0.024 0.014  0.046  106 GLY BBB C   
2371 O O   . GLY B 106 ? 0.650 0.629 0.677 -0.028 0.010  0.040  106 GLY BBB O   
2372 N N   . PHE B 107 ? 0.662 0.644 0.652 -0.013 0.010  0.045  107 PHE BBB N   
2373 C CA  . PHE B 107 ? 0.686 0.649 0.663 -0.003 -0.004 0.032  107 PHE BBB CA  
2374 C C   . PHE B 107 ? 0.709 0.668 0.656 0.018  -0.005 0.028  107 PHE BBB C   
2375 O O   . PHE B 107 ? 0.786 0.734 0.710 0.034  -0.016 0.018  107 PHE BBB O   
2376 C CB  . PHE B 107 ? 0.698 0.660 0.667 -0.001 -0.011 0.033  107 PHE BBB CB  
2377 C CG  . PHE B 107 ? 0.711 0.673 0.706 -0.015 -0.015 0.032  107 PHE BBB CG  
2378 C CD1 . PHE B 107 ? 0.671 0.633 0.693 -0.025 -0.017 0.025  107 PHE BBB CD1 
2379 C CD2 . PHE B 107 ? 0.652 0.617 0.646 -0.017 -0.017 0.038  107 PHE BBB CD2 
2380 C CE1 . PHE B 107 ? 0.687 0.655 0.730 -0.033 -0.020 0.024  107 PHE BBB CE1 
2381 C CE2 . PHE B 107 ? 0.705 0.670 0.720 -0.025 -0.022 0.034  107 PHE BBB CE2 
2382 C CZ  . PHE B 107 ? 0.708 0.677 0.747 -0.032 -0.023 0.026  107 PHE BBB CZ  
2383 N N   . VAL B 108 ? 0.669 0.636 0.614 0.021  0.006  0.034  108 VAL BBB N   
2384 C CA  . VAL B 108 ? 0.706 0.672 0.622 0.045  0.007  0.029  108 VAL BBB CA  
2385 C C   . VAL B 108 ? 0.723 0.658 0.644 0.048  -0.009 0.012  108 VAL BBB C   
2386 O O   . VAL B 108 ? 0.688 0.623 0.627 0.039  -0.002 0.017  108 VAL BBB O   
2387 C CB  . VAL B 108 ? 0.706 0.701 0.619 0.049  0.026  0.046  108 VAL BBB CB  
2388 C CG1 . VAL B 108 ? 0.695 0.694 0.574 0.079  0.027  0.042  108 VAL BBB CG1 
2389 C CG2 . VAL B 108 ? 0.661 0.684 0.584 0.039  0.038  0.067  108 VAL BBB CG2 
2390 N N   . ALA B 109 ? 0.763 0.674 0.672 0.061  -0.030 -0.007 109 ALA BBB N   
2391 C CA  . ALA B 109 ? 0.820 0.695 0.744 0.060  -0.052 -0.025 109 ALA BBB CA  
2392 C C   . ALA B 109 ? 0.780 0.647 0.694 0.072  -0.048 -0.025 109 ALA BBB C   
2393 O O   . ALA B 109 ? 0.842 0.689 0.784 0.059  -0.054 -0.025 109 ALA BBB O   
2394 C CB  . ALA B 109 ? 0.889 0.739 0.794 0.078  -0.079 -0.049 109 ALA BBB CB  
2395 N N   . ASN B 110 ? 0.719 0.717 0.973 0.046  -0.041 -0.095 110 ASN BBB N   
2396 C CA  . ASN B 110 ? 0.752 0.770 1.054 0.078  -0.033 -0.096 110 ASN BBB CA  
2397 C C   . ASN B 110 ? 0.718 0.752 1.044 0.077  -0.030 -0.043 110 ASN BBB C   
2398 O O   . ASN B 110 ? 0.775 0.809 1.161 0.104  -0.029 -0.031 110 ASN BBB O   
2399 C CB  . ASN B 110 ? 0.819 0.911 1.099 0.090  -0.023 -0.121 110 ASN BBB CB  
2400 C CG  . ASN B 110 ? 0.878 0.990 1.219 0.134  -0.016 -0.132 110 ASN BBB CG  
2401 O OD1 . ASN B 110 ? 0.946 1.127 1.289 0.143  -0.008 -0.110 110 ASN BBB OD1 
2402 N ND2 . ASN B 110 ? 0.928 0.977 1.325 0.160  -0.024 -0.163 110 ASN BBB ND2 
2403 N N   . GLU B 111 ? 0.649 0.701 0.933 0.048  -0.031 -0.013 111 GLU BBB N   
2404 C CA  . GLU B 111 ? 0.596 0.679 0.892 0.041  -0.029 0.035  111 GLU BBB CA  
2405 C C   . GLU B 111 ? 0.600 0.647 0.936 0.037  -0.035 0.059  111 GLU BBB C   
2406 O O   . GLU B 111 ? 0.569 0.652 0.928 0.033  -0.034 0.103  111 GLU BBB O   
2407 C CB  . GLU B 111 ? 0.556 0.673 0.790 0.010  -0.030 0.047  111 GLU BBB CB  
2408 C CG  . GLU B 111 ? 0.546 0.715 0.746 0.004  -0.028 0.042  111 GLU BBB CG  
2409 C CD  . GLU B 111 ? 0.512 0.697 0.654 -0.033 -0.037 0.052  111 GLU BBB CD  
2410 O OE1 . GLU B 111 ? 0.504 0.651 0.629 -0.047 -0.044 0.050  111 GLU BBB OE1 
2411 O OE2 . GLU B 111 ? 0.520 0.756 0.637 -0.046 -0.038 0.061  111 GLU BBB OE2 
2412 N N   . TYR B 112 ? 0.609 0.603 0.952 0.034  -0.041 0.036  112 TYR BBB N   
2413 C CA  . TYR B 112 ? 0.654 0.625 1.038 0.025  -0.049 0.062  112 TYR BBB CA  
2414 C C   . TYR B 112 ? 0.710 0.640 1.170 0.045  -0.058 0.071  112 TYR BBB C   
2415 O O   . TYR B 112 ? 0.729 0.618 1.203 0.063  -0.062 0.027  112 TYR BBB O   
2416 C CB  . TYR B 112 ? 0.637 0.579 0.993 0.009  -0.054 0.038  112 TYR BBB CB  
2417 C CG  . TYR B 112 ? 0.643 0.615 0.942 -0.008 -0.050 0.036  112 TYR BBB CG  
2418 C CD1 . TYR B 112 ? 0.617 0.587 0.863 -0.011 -0.051 0.009  112 TYR BBB CD1 
2419 C CD2 . TYR B 112 ? 0.625 0.632 0.926 -0.020 -0.049 0.061  112 TYR BBB CD2 
2420 C CE1 . TYR B 112 ? 0.634 0.616 0.836 -0.024 -0.054 0.005  112 TYR BBB CE1 
2421 C CE2 . TYR B 112 ? 0.612 0.643 0.865 -0.029 -0.048 0.048  112 TYR BBB CE2 
2422 C CZ  . TYR B 112 ? 0.620 0.628 0.826 -0.030 -0.053 0.019  112 TYR BBB CZ  
2423 O OH  . TYR B 112 ? 0.621 0.636 0.787 -0.037 -0.057 0.003  112 TYR BBB OH  
2424 N N   . ASP B 113 ? 0.730 0.674 1.241 0.038  -0.065 0.126  113 ASP BBB N   
2425 C CA  . ASP B 113 ? 0.821 0.722 1.419 0.054  -0.082 0.151  113 ASP BBB CA  
2426 C C   . ASP B 113 ? 0.852 0.697 1.487 0.035  -0.099 0.155  113 ASP BBB C   
2427 O O   . ASP B 113 ? 0.935 0.708 1.626 0.051  -0.116 0.134  113 ASP BBB O   
2428 C CB  . ASP B 113 ? 0.898 0.855 1.535 0.052  -0.084 0.223  113 ASP BBB CB  
2429 C CG  . ASP B 113 ? 0.969 0.989 1.574 0.068  -0.069 0.224  113 ASP BBB CG  
2430 O OD1 . ASP B 113 ? 1.031 1.035 1.645 0.101  -0.065 0.186  113 ASP BBB OD1 
2431 O OD2 . ASP B 113 ? 1.059 1.156 1.631 0.046  -0.062 0.261  113 ASP BBB OD2 
2432 N N   . TYR B 114 ? 0.791 0.672 1.400 0.003  -0.098 0.177  114 TYR BBB N   
2433 C CA  . TYR B 114 ? 0.809 0.661 1.460 -0.023 -0.116 0.197  114 TYR BBB CA  
2434 C C   . TYR B 114 ? 0.773 0.623 1.368 -0.035 -0.109 0.152  114 TYR BBB C   
2435 O O   . TYR B 114 ? 0.735 0.637 1.265 -0.036 -0.092 0.136  114 TYR BBB O   
2436 C CB  . TYR B 114 ? 0.822 0.741 1.509 -0.050 -0.122 0.279  114 TYR BBB CB  
2437 C CG  . TYR B 114 ? 0.884 0.813 1.621 -0.035 -0.129 0.327  114 TYR BBB CG  
2438 C CD1 . TYR B 114 ? 0.970 0.822 1.794 -0.024 -0.156 0.348  114 TYR BBB CD1 
2439 C CD2 . TYR B 114 ? 0.885 0.892 1.583 -0.029 -0.111 0.344  114 TYR BBB CD2 
2440 C CE1 . TYR B 114 ? 1.004 0.863 1.881 -0.004 -0.164 0.392  114 TYR BBB CE1 
2441 C CE2 . TYR B 114 ? 0.929 0.954 1.673 -0.013 -0.118 0.389  114 TYR BBB CE2 
2442 C CZ  . TYR B 114 ? 0.971 0.922 1.807 0.002  -0.144 0.415  114 TYR BBB CZ  
2443 O OH  . TYR B 114 ? 1.025 0.995 1.915 0.022  -0.153 0.463  114 TYR BBB OH  
2444 N N   . TRP B 115 ? 0.793 0.585 1.419 -0.045 -0.126 0.131  115 TRP BBB N   
2445 C CA  . TRP B 115 ? 0.790 0.577 1.376 -0.056 -0.126 0.089  115 TRP BBB CA  
2446 C C   . TRP B 115 ? 0.794 0.586 1.424 -0.090 -0.144 0.124  115 TRP BBB C   
2447 O O   . TRP B 115 ? 0.822 0.566 1.521 -0.102 -0.166 0.151  115 TRP BBB O   
2448 C CB  . TRP B 115 ? 0.819 0.543 1.389 -0.037 -0.129 0.020  115 TRP BBB CB  
2449 C CG  . TRP B 115 ? 0.806 0.552 1.323 -0.011 -0.110 -0.011 115 TRP BBB CG  
2450 C CD1 . TRP B 115 ? 0.819 0.565 1.350 0.014  -0.104 -0.009 115 TRP BBB CD1 
2451 C CD2 . TRP B 115 ? 0.790 0.569 1.235 -0.012 -0.098 -0.040 115 TRP BBB CD2 
2452 N NE1 . TRP B 115 ? 0.784 0.568 1.253 0.025  -0.087 -0.034 115 TRP BBB NE1 
2453 C CE2 . TRP B 115 ? 0.762 0.561 1.178 0.008  -0.085 -0.052 115 TRP BBB CE2 
2454 C CE3 . TRP B 115 ? 0.781 0.575 1.187 -0.027 -0.099 -0.053 115 TRP BBB CE3 
2455 C CZ2 . TRP B 115 ? 0.766 0.595 1.118 0.007  -0.077 -0.072 115 TRP BBB CZ2 
2456 C CZ3 . TRP B 115 ? 0.744 0.560 1.090 -0.022 -0.091 -0.074 115 TRP BBB CZ3 
2457 C CH2 . TRP B 115 ? 0.739 0.570 1.057 -0.009 -0.082 -0.081 115 TRP BBB CH2 
2458 N N   . GLY B 116 ? 0.793 0.644 1.389 -0.105 -0.136 0.125  116 GLY BBB N   
2459 C CA  . GLY B 116 ? 0.822 0.693 1.453 -0.138 -0.152 0.149  116 GLY BBB CA  
2460 C C   . GLY B 116 ? 0.887 0.680 1.533 -0.145 -0.171 0.104  116 GLY BBB C   
2461 O O   . GLY B 116 ? 0.931 0.669 1.550 -0.120 -0.168 0.048  116 GLY BBB O   
2462 N N   . GLN B 117 ? 0.928 0.729 1.613 -0.180 -0.191 0.126  117 GLN BBB N   
2463 C CA  . GLN B 117 ? 1.012 0.740 1.719 -0.196 -0.216 0.087  117 GLN BBB CA  
2464 C C   . GLN B 117 ? 0.976 0.728 1.622 -0.187 -0.206 0.033  117 GLN BBB C   
2465 O O   . GLN B 117 ? 1.035 0.733 1.677 -0.189 -0.220 -0.019 117 GLN BBB O   
2466 C CB  . GLN B 117 ? 1.065 0.801 1.843 -0.245 -0.246 0.142  117 GLN BBB CB  
2467 C CG  . GLN B 117 ? 1.041 0.886 1.807 -0.270 -0.240 0.173  117 GLN BBB CG  
2468 C CD  . GLN B 117 ? 1.026 0.982 1.785 -0.268 -0.219 0.230  117 GLN BBB CD  
2469 O OE1 . GLN B 117 ? 1.024 0.987 1.757 -0.239 -0.199 0.230  117 GLN BBB OE1 
2470 N NE2 . GLN B 117 ? 0.953 1.010 1.735 -0.300 -0.223 0.277  117 GLN BBB NE2 
2471 N N   . GLY B 118 ? 0.868 0.702 1.471 -0.177 -0.185 0.044  118 GLY BBB N   
2472 C CA  . GLY B 118 ? 0.866 0.725 1.417 -0.164 -0.178 0.003  118 GLY BBB CA  
2473 C C   . GLY B 118 ? 0.861 0.787 1.429 -0.188 -0.187 0.024  118 GLY BBB C   
2474 O O   . GLY B 118 ? 0.989 0.905 1.605 -0.223 -0.208 0.043  118 GLY BBB O   
2475 N N   . ALA B 119 ? 0.832 0.825 1.365 -0.169 -0.173 0.020  119 ALA BBB N   
2476 C CA  . ALA B 119 ? 0.818 0.893 1.366 -0.180 -0.178 0.035  119 ALA BBB CA  
2477 C C   . ALA B 119 ? 0.820 0.884 1.333 -0.168 -0.185 -0.005 119 ALA BBB C   
2478 O O   . ALA B 119 ? 0.733 0.764 1.201 -0.140 -0.177 -0.034 119 ALA BBB O   
2479 C CB  . ALA B 119 ? 0.798 0.965 1.341 -0.160 -0.158 0.059  119 ALA BBB CB  
2480 N N   . PRO B 120 ? 0.810 0.910 1.347 -0.192 -0.202 -0.002 120 PRO BBB N   
2481 C CA  . PRO B 120 ? 0.794 0.897 1.304 -0.184 -0.212 -0.032 120 PRO BBB CA  
2482 C C   . PRO B 120 ? 0.763 0.938 1.261 -0.150 -0.202 -0.025 120 PRO BBB C   
2483 O O   . PRO B 120 ? 0.714 0.966 1.241 -0.146 -0.194 0.002  120 PRO BBB O   
2484 C CB  . PRO B 120 ? 0.834 0.957 1.381 -0.228 -0.236 -0.024 120 PRO BBB CB  
2485 C CG  . PRO B 120 ? 0.830 1.012 1.428 -0.250 -0.235 0.026  120 PRO BBB CG  
2486 C CD  . PRO B 120 ? 0.837 0.987 1.430 -0.232 -0.216 0.038  120 PRO BBB CD  
2487 N N   . VAL B 121 ? 0.741 0.893 1.201 -0.125 -0.205 -0.049 121 VAL BBB N   
2488 C CA  . VAL B 121 ? 0.730 0.932 1.186 -0.089 -0.206 -0.048 121 VAL BBB CA  
2489 C C   . VAL B 121 ? 0.720 0.922 1.163 -0.093 -0.228 -0.057 121 VAL BBB C   
2490 O O   . VAL B 121 ? 0.712 0.856 1.117 -0.098 -0.233 -0.073 121 VAL BBB O   
2491 C CB  . VAL B 121 ? 0.760 0.927 1.185 -0.053 -0.191 -0.059 121 VAL BBB CB  
2492 C CG1 . VAL B 121 ? 0.761 0.946 1.182 -0.014 -0.201 -0.066 121 VAL BBB CG1 
2493 C CG2 . VAL B 121 ? 0.753 0.950 1.192 -0.047 -0.170 -0.047 121 VAL BBB CG2 
2494 N N   . THR B 122 ? 0.691 0.968 1.167 -0.093 -0.240 -0.043 122 THR BBB N   
2495 C CA  . THR B 122 ? 0.744 1.038 1.213 -0.095 -0.264 -0.042 122 THR BBB CA  
2496 C C   . THR B 122 ? 0.754 1.101 1.247 -0.048 -0.270 -0.031 122 THR BBB C   
2497 O O   . THR B 122 ? 0.783 1.208 1.317 -0.033 -0.262 -0.021 122 THR BBB O   
2498 C CB  . THR B 122 ? 0.773 1.109 1.263 -0.142 -0.281 -0.037 122 THR BBB CB  
2499 O OG1 . THR B 122 ? 0.760 1.035 1.238 -0.177 -0.277 -0.055 122 THR BBB OG1 
2500 C CG2 . THR B 122 ? 0.798 1.156 1.274 -0.152 -0.306 -0.038 122 THR BBB CG2 
2501 N N   . VAL B 123 ? 0.787 1.097 1.258 -0.027 -0.285 -0.032 123 VAL BBB N   
2502 C CA  . VAL B 123 ? 0.829 1.171 1.330 0.021  -0.300 -0.022 123 VAL BBB CA  
2503 C C   . VAL B 123 ? 0.854 1.231 1.362 0.005  -0.331 0.000  123 VAL BBB C   
2504 O O   . VAL B 123 ? 0.823 1.154 1.291 -0.019 -0.345 0.004  123 VAL BBB O   
2505 C CB  . VAL B 123 ? 0.837 1.101 1.316 0.058  -0.301 -0.033 123 VAL BBB CB  
2506 C CG1 . VAL B 123 ? 0.880 1.160 1.398 0.111  -0.322 -0.027 123 VAL BBB CG1 
2507 C CG2 . VAL B 123 ? 0.831 1.070 1.297 0.067  -0.271 -0.054 123 VAL BBB CG2 
2508 N N   . SER B 124 ? 0.896 1.366 1.454 0.018  -0.341 0.016  124 SER BBB N   
2509 C CA  . SER B 124 ? 0.957 1.496 1.531 -0.012 -0.367 0.040  124 SER BBB CA  
2510 C C   . SER B 124 ? 1.043 1.596 1.640 0.025  -0.398 0.066  124 SER BBB C   
2511 O O   . SER B 124 ? 1.003 1.612 1.655 0.075  -0.402 0.073  124 SER BBB O   
2512 C CB  . SER B 124 ? 0.966 1.609 1.585 -0.025 -0.361 0.048  124 SER BBB CB  
2513 O OG  . SER B 124 ? 0.928 1.640 1.600 0.032  -0.358 0.054  124 SER BBB OG  
2514 N N   . SER B 125 ? 1.194 1.709 1.756 0.001  -0.422 0.082  125 SER BBB N   
2515 C CA  . SER B 125 ? 1.247 1.770 1.831 0.025  -0.460 0.121  125 SER BBB CA  
2516 C C   . SER B 125 ? 1.139 1.777 1.763 0.013  -0.483 0.152  125 SER BBB C   
2517 O O   . SER B 125 ? 1.045 1.749 1.728 0.052  -0.483 0.156  125 SER BBB O   
2518 C CB  . SER B 125 ? 1.321 1.784 1.850 -0.006 -0.475 0.135  125 SER BBB CB  
2519 O OG  . SER B 125 ? 1.377 1.877 1.861 -0.069 -0.471 0.125  125 SER BBB OG  
# 
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   ARG 1   319 ?   ?   ?   AAA . n 
A 1 2   VAL 2   320 ?   ?   ?   AAA . n 
A 1 3   GLN 3   321 ?   ?   ?   AAA . n 
A 1 4   PRO 4   322 ?   ?   ?   AAA . n 
A 1 5   THR 5   323 ?   ?   ?   AAA . n 
A 1 6   GLU 6   324 ?   ?   ?   AAA . n 
A 1 7   SER 7   325 ?   ?   ?   AAA . n 
A 1 8   ILE 8   326 ?   ?   ?   AAA . n 
A 1 9   VAL 9   327 ?   ?   ?   AAA . n 
A 1 10  ARG 10  328 ?   ?   ?   AAA . n 
A 1 11  PHE 11  329 ?   ?   ?   AAA . n 
A 1 12  PRO 12  330 ?   ?   ?   AAA . n 
A 1 13  ASN 13  331 ?   ?   ?   AAA . n 
A 1 14  ILE 14  332 332 ILE ILE AAA . n 
A 1 15  THR 15  333 333 THR THR AAA . n 
A 1 16  ASN 16  334 334 ASN ASN AAA . n 
A 1 17  LEU 17  335 335 LEU LEU AAA . n 
A 1 18  CYS 18  336 336 CYS CYS AAA . n 
A 1 19  PRO 19  337 337 PRO PRO AAA . n 
A 1 20  PHE 20  338 338 PHE PHE AAA . n 
A 1 21  GLY 21  339 339 GLY GLY AAA . n 
A 1 22  GLU 22  340 340 GLU GLU AAA . n 
A 1 23  VAL 23  341 341 VAL VAL AAA . n 
A 1 24  PHE 24  342 342 PHE PHE AAA . n 
A 1 25  ASN 25  343 343 ASN ASN AAA . n 
A 1 26  ALA 26  344 344 ALA ALA AAA . n 
A 1 27  THR 27  345 345 THR THR AAA . n 
A 1 28  ARG 28  346 346 ARG ARG AAA . n 
A 1 29  PHE 29  347 347 PHE PHE AAA . n 
A 1 30  ALA 30  348 348 ALA ALA AAA . n 
A 1 31  SER 31  349 349 SER SER AAA . n 
A 1 32  VAL 32  350 350 VAL VAL AAA . n 
A 1 33  TYR 33  351 351 TYR TYR AAA . n 
A 1 34  ALA 34  352 352 ALA ALA AAA . n 
A 1 35  TRP 35  353 353 TRP TRP AAA . n 
A 1 36  ASN 36  354 354 ASN ASN AAA . n 
A 1 37  ARG 37  355 355 ARG ARG AAA . n 
A 1 38  LYS 38  356 356 LYS LYS AAA . n 
A 1 39  ARG 39  357 357 ARG ARG AAA . n 
A 1 40  ILE 40  358 358 ILE ILE AAA . n 
A 1 41  SER 41  359 359 SER SER AAA . n 
A 1 42  ASN 42  360 360 ASN ASN AAA . n 
A 1 43  CYS 43  361 361 CYS CYS AAA . n 
A 1 44  VAL 44  362 362 VAL VAL AAA . n 
A 1 45  ALA 45  363 363 ALA ALA AAA . n 
A 1 46  ASP 46  364 364 ASP ASP AAA . n 
A 1 47  TYR 47  365 365 TYR TYR AAA . n 
A 1 48  SER 48  366 366 SER SER AAA . n 
A 1 49  VAL 49  367 367 VAL VAL AAA . n 
A 1 50  LEU 50  368 368 LEU LEU AAA . n 
A 1 51  TYR 51  369 369 TYR TYR AAA . n 
A 1 52  ASN 52  370 370 ASN ASN AAA . n 
A 1 53  SER 53  371 371 SER SER AAA . n 
A 1 54  ALA 54  372 372 ALA ALA AAA . n 
A 1 55  SER 55  373 373 SER SER AAA . n 
A 1 56  PHE 56  374 374 PHE PHE AAA . n 
A 1 57  SER 57  375 375 SER SER AAA . n 
A 1 58  THR 58  376 376 THR THR AAA . n 
A 1 59  PHE 59  377 377 PHE PHE AAA . n 
A 1 60  LYS 60  378 378 LYS LYS AAA . n 
A 1 61  CYS 61  379 379 CYS CYS AAA . n 
A 1 62  TYR 62  380 380 TYR TYR AAA . n 
A 1 63  GLY 63  381 381 GLY GLY AAA . n 
A 1 64  VAL 64  382 382 VAL VAL AAA . n 
A 1 65  SER 65  383 383 SER SER AAA . n 
A 1 66  PRO 66  384 384 PRO PRO AAA . n 
A 1 67  THR 67  385 385 THR THR AAA . n 
A 1 68  LYS 68  386 386 LYS LYS AAA . n 
A 1 69  LEU 69  387 387 LEU LEU AAA . n 
A 1 70  ASN 70  388 388 ASN ASN AAA . n 
A 1 71  ASP 71  389 389 ASP ASP AAA . n 
A 1 72  LEU 72  390 390 LEU LEU AAA . n 
A 1 73  CYS 73  391 391 CYS CYS AAA . n 
A 1 74  PHE 74  392 392 PHE PHE AAA . n 
A 1 75  THR 75  393 393 THR THR AAA . n 
A 1 76  ASN 76  394 394 ASN ASN AAA . n 
A 1 77  VAL 77  395 395 VAL VAL AAA . n 
A 1 78  TYR 78  396 396 TYR TYR AAA . n 
A 1 79  ALA 79  397 397 ALA ALA AAA . n 
A 1 80  ASP 80  398 398 ASP ASP AAA . n 
A 1 81  SER 81  399 399 SER SER AAA . n 
A 1 82  PHE 82  400 400 PHE PHE AAA . n 
A 1 83  VAL 83  401 401 VAL VAL AAA . n 
A 1 84  ILE 84  402 402 ILE ILE AAA . n 
A 1 85  ARG 85  403 403 ARG ARG AAA . n 
A 1 86  GLY 86  404 404 GLY GLY AAA . n 
A 1 87  ASP 87  405 405 ASP ASP AAA . n 
A 1 88  GLU 88  406 406 GLU GLU AAA . n 
A 1 89  VAL 89  407 407 VAL VAL AAA . n 
A 1 90  ARG 90  408 408 ARG ARG AAA . n 
A 1 91  GLN 91  409 409 GLN GLN AAA . n 
A 1 92  ILE 92  410 410 ILE ILE AAA . n 
A 1 93  ALA 93  411 411 ALA ALA AAA . n 
A 1 94  PRO 94  412 412 PRO PRO AAA . n 
A 1 95  GLY 95  413 413 GLY GLY AAA . n 
A 1 96  GLN 96  414 414 GLN GLN AAA . n 
A 1 97  THR 97  415 415 THR THR AAA . n 
A 1 98  GLY 98  416 416 GLY GLY AAA . n 
A 1 99  LYS 99  417 417 LYS LYS AAA . n 
A 1 100 ILE 100 418 418 ILE ILE AAA . n 
A 1 101 ALA 101 419 419 ALA ALA AAA . n 
A 1 102 ASP 102 420 420 ASP ASP AAA . n 
A 1 103 TYR 103 421 421 TYR TYR AAA . n 
A 1 104 ASN 104 422 422 ASN ASN AAA . n 
A 1 105 TYR 105 423 423 TYR TYR AAA . n 
A 1 106 LYS 106 424 424 LYS LYS AAA . n 
A 1 107 LEU 107 425 425 LEU LEU AAA . n 
A 1 108 PRO 108 426 426 PRO PRO AAA . n 
A 1 109 ASP 109 427 427 ASP ASP AAA . n 
A 1 110 ASP 110 428 428 ASP ASP AAA . n 
A 1 111 PHE 111 429 429 PHE PHE AAA . n 
A 1 112 THR 112 430 430 THR THR AAA . n 
A 1 113 GLY 113 431 431 GLY GLY AAA . n 
A 1 114 CYS 114 432 432 CYS CYS AAA . n 
A 1 115 VAL 115 433 433 VAL VAL AAA . n 
A 1 116 ILE 116 434 434 ILE ILE AAA . n 
A 1 117 ALA 117 435 435 ALA ALA AAA . n 
A 1 118 TRP 118 436 436 TRP TRP AAA . n 
A 1 119 ASN 119 437 437 ASN ASN AAA . n 
A 1 120 SER 120 438 438 SER SER AAA . n 
A 1 121 ASN 121 439 439 ASN ASN AAA . n 
A 1 122 ASN 122 440 440 ASN ASN AAA . n 
A 1 123 LEU 123 441 441 LEU LEU AAA . n 
A 1 124 ASP 124 442 442 ASP ASP AAA . n 
A 1 125 SER 125 443 443 SER SER AAA . n 
A 1 126 LYS 126 444 444 LYS LYS AAA . n 
A 1 127 VAL 127 445 445 VAL VAL AAA . n 
A 1 128 GLY 128 446 446 GLY GLY AAA . n 
A 1 129 GLY 129 447 447 GLY GLY AAA . n 
A 1 130 ASN 130 448 448 ASN ASN AAA . n 
A 1 131 TYR 131 449 449 TYR TYR AAA . n 
A 1 132 ASN 132 450 450 ASN ASN AAA . n 
A 1 133 TYR 133 451 451 TYR TYR AAA . n 
A 1 134 LEU 134 452 452 LEU LEU AAA . n 
A 1 135 TYR 135 453 453 TYR TYR AAA . n 
A 1 136 ARG 136 454 454 ARG ARG AAA . n 
A 1 137 LEU 137 455 455 LEU LEU AAA . n 
A 1 138 PHE 138 456 456 PHE PHE AAA . n 
A 1 139 ARG 139 457 457 ARG ARG AAA . n 
A 1 140 LYS 140 458 458 LYS LYS AAA . n 
A 1 141 SER 141 459 459 SER SER AAA . n 
A 1 142 ASN 142 460 460 ASN ASN AAA . n 
A 1 143 LEU 143 461 461 LEU LEU AAA . n 
A 1 144 LYS 144 462 462 LYS LYS AAA . n 
A 1 145 PRO 145 463 463 PRO PRO AAA . n 
A 1 146 PHE 146 464 464 PHE PHE AAA . n 
A 1 147 GLU 147 465 465 GLU GLU AAA . n 
A 1 148 ARG 148 466 466 ARG ARG AAA . n 
A 1 149 ASP 149 467 467 ASP ASP AAA . n 
A 1 150 ILE 150 468 468 ILE ILE AAA . n 
A 1 151 SER 151 469 469 SER SER AAA . n 
A 1 152 THR 152 470 470 THR THR AAA . n 
A 1 153 GLU 153 471 471 GLU GLU AAA . n 
A 1 154 ILE 154 472 472 ILE ILE AAA . n 
A 1 155 TYR 155 473 473 TYR TYR AAA . n 
A 1 156 GLN 156 474 474 GLN GLN AAA . n 
A 1 157 ALA 157 475 475 ALA ALA AAA . n 
A 1 158 GLY 158 476 476 GLY GLY AAA . n 
A 1 159 SER 159 477 477 SER SER AAA . n 
A 1 160 THR 160 478 478 THR THR AAA . n 
A 1 161 PRO 161 479 479 PRO PRO AAA . n 
A 1 162 CYS 162 480 480 CYS CYS AAA . n 
A 1 163 ASN 163 481 481 ASN ASN AAA . n 
A 1 164 GLY 164 482 482 GLY GLY AAA . n 
A 1 165 VAL 165 483 483 VAL VAL AAA . n 
A 1 166 GLU 166 484 484 GLU GLU AAA . n 
A 1 167 GLY 167 485 485 GLY GLY AAA . n 
A 1 168 PHE 168 486 486 PHE PHE AAA . n 
A 1 169 ASN 169 487 487 ASN ASN AAA . n 
A 1 170 CYS 170 488 488 CYS CYS AAA . n 
A 1 171 TYR 171 489 489 TYR TYR AAA . n 
A 1 172 PHE 172 490 490 PHE PHE AAA . n 
A 1 173 PRO 173 491 491 PRO PRO AAA . n 
A 1 174 LEU 174 492 492 LEU LEU AAA . n 
A 1 175 GLN 175 493 493 GLN GLN AAA . n 
A 1 176 SER 176 494 494 SER SER AAA . n 
A 1 177 TYR 177 495 495 TYR TYR AAA . n 
A 1 178 GLY 178 496 496 GLY GLY AAA . n 
A 1 179 PHE 179 497 497 PHE PHE AAA . n 
A 1 180 GLN 180 498 498 GLN GLN AAA . n 
A 1 181 PRO 181 499 499 PRO PRO AAA . n 
A 1 182 THR 182 500 500 THR THR AAA . n 
A 1 183 ASN 183 501 501 ASN ASN AAA . n 
A 1 184 GLY 184 502 502 GLY GLY AAA . n 
A 1 185 VAL 185 503 503 VAL VAL AAA . n 
A 1 186 GLY 186 504 504 GLY GLY AAA . n 
A 1 187 TYR 187 505 505 TYR TYR AAA . n 
A 1 188 GLN 188 506 506 GLN GLN AAA . n 
A 1 189 PRO 189 507 507 PRO PRO AAA . n 
A 1 190 TYR 190 508 508 TYR TYR AAA . n 
A 1 191 ARG 191 509 509 ARG ARG AAA . n 
A 1 192 VAL 192 510 510 VAL VAL AAA . n 
A 1 193 VAL 193 511 511 VAL VAL AAA . n 
A 1 194 VAL 194 512 512 VAL VAL AAA . n 
A 1 195 LEU 195 513 513 LEU LEU AAA . n 
A 1 196 SER 196 514 514 SER SER AAA . n 
A 1 197 PHE 197 515 515 PHE PHE AAA . n 
A 1 198 GLU 198 516 516 GLU GLU AAA . n 
A 1 199 LEU 199 517 517 LEU LEU AAA . n 
A 1 200 LEU 200 518 518 LEU LEU AAA . n 
A 1 201 HIS 201 519 519 HIS HIS AAA . n 
A 1 202 ALA 202 520 520 ALA ALA AAA . n 
A 1 203 PRO 203 521 521 PRO PRO AAA . n 
A 1 204 ALA 204 522 522 ALA ALA AAA . n 
A 1 205 THR 205 523 523 THR THR AAA . n 
A 1 206 VAL 206 524 524 VAL VAL AAA . n 
A 1 207 CYS 207 525 525 CYS CYS AAA . n 
A 1 208 GLY 208 526 526 GLY GLY AAA . n 
A 1 209 PRO 209 527 527 PRO PRO AAA . n 
A 1 210 LYS 210 528 ?   ?   ?   AAA . n 
A 1 211 LYS 211 529 ?   ?   ?   AAA . n 
A 1 212 SER 212 530 ?   ?   ?   AAA . n 
A 1 213 THR 213 531 ?   ?   ?   AAA . n 
A 1 214 ASN 214 532 ?   ?   ?   AAA . n 
A 1 215 LEU 215 533 ?   ?   ?   AAA . n 
A 1 216 VAL 216 534 ?   ?   ?   AAA . n 
A 1 217 LYS 217 535 ?   ?   ?   AAA . n 
A 1 218 ASN 218 536 ?   ?   ?   AAA . n 
A 1 219 LYS 219 537 ?   ?   ?   AAA . n 
A 1 220 CYS 220 538 ?   ?   ?   AAA . n 
A 1 221 VAL 221 539 ?   ?   ?   AAA . n 
A 1 222 ASN 222 540 ?   ?   ?   AAA . n 
A 1 223 PHE 223 541 ?   ?   ?   AAA . n 
A 1 224 HIS 224 542 ?   ?   ?   AAA . n 
A 1 225 HIS 225 543 ?   ?   ?   AAA . n 
A 1 226 HIS 226 544 ?   ?   ?   AAA . n 
A 1 227 HIS 227 545 ?   ?   ?   AAA . n 
A 1 228 HIS 228 546 ?   ?   ?   AAA . n 
A 1 229 HIS 229 547 ?   ?   ?   AAA . n 
B 2 1   GLN 1   1   1   GLN GLN BBB . n 
B 2 2   VAL 2   2   2   VAL VAL BBB . n 
B 2 3   GLN 3   3   3   GLN GLN BBB . n 
B 2 4   LEU 4   4   4   LEU LEU BBB . n 
B 2 5   VAL 5   5   5   VAL VAL BBB . n 
B 2 6   GLU 6   6   6   GLU GLU BBB . n 
B 2 7   SER 7   7   7   SER SER BBB . n 
B 2 8   GLY 8   8   8   GLY GLY BBB . n 
B 2 9   GLY 9   9   9   GLY GLY BBB . n 
B 2 10  GLY 10  10  10  GLY GLY BBB . n 
B 2 11  SER 11  11  11  SER SER BBB . n 
B 2 12  VAL 12  12  12  VAL VAL BBB . n 
B 2 13  GLN 13  13  13  GLN GLN BBB . n 
B 2 14  PRO 14  14  14  PRO PRO BBB . n 
B 2 15  GLY 15  15  15  GLY GLY BBB . n 
B 2 16  GLY 16  16  16  GLY GLY BBB . n 
B 2 17  SER 17  17  17  SER SER BBB . n 
B 2 18  LEU 18  18  18  LEU LEU BBB . n 
B 2 19  ARG 19  19  19  ARG ARG BBB . n 
B 2 20  LEU 20  20  20  LEU LEU BBB . n 
B 2 21  SER 21  21  21  SER SER BBB . n 
B 2 22  CYS 22  22  22  CYS CYS BBB . n 
B 2 23  LEU 23  23  23  LEU LEU BBB . n 
B 2 24  GLY 24  24  24  GLY GLY BBB . n 
B 2 25  SER 25  25  25  SER SER BBB . n 
B 2 26  GLY 26  26  26  GLY GLY BBB . n 
B 2 27  SER 27  27  27  SER SER BBB . n 
B 2 28  LEU 28  28  28  LEU LEU BBB . n 
B 2 29  ASP 29  29  29  ASP ASP BBB . n 
B 2 30  TYR 30  30  30  TYR TYR BBB . n 
B 2 31  TYR 31  31  31  TYR TYR BBB . n 
B 2 32  ALA 32  32  32  ALA ALA BBB . n 
B 2 33  ILE 33  33  33  ILE ILE BBB . n 
B 2 34  GLY 34  34  34  GLY GLY BBB . n 
B 2 35  TRP 35  35  35  TRP TRP BBB . n 
B 2 36  PHE 36  36  36  PHE PHE BBB . n 
B 2 37  ARG 37  37  37  ARG ARG BBB . n 
B 2 38  GLN 38  38  38  GLN GLN BBB . n 
B 2 39  ALA 39  39  39  ALA ALA BBB . n 
B 2 40  PRO 40  40  40  PRO PRO BBB . n 
B 2 41  GLY 41  41  41  GLY GLY BBB . n 
B 2 42  LYS 42  42  42  LYS LYS BBB . n 
B 2 43  GLU 43  43  43  GLU GLU BBB . n 
B 2 44  ARG 44  44  44  ARG ARG BBB . n 
B 2 45  GLU 45  45  45  GLU GLU BBB . n 
B 2 46  GLY 46  46  46  GLY GLY BBB . n 
B 2 47  VAL 47  47  47  VAL VAL BBB . n 
B 2 48  SER 48  48  48  SER SER BBB . n 
B 2 49  CYS 49  49  49  CYS CYS BBB . n 
B 2 50  ILE 50  50  50  ILE ILE BBB . n 
B 2 51  ALA 51  51  51  ALA ALA BBB . n 
B 2 52  SER 52  52  52  SER SER BBB . n 
B 2 53  SER 53  53  53  SER SER BBB . n 
B 2 54  GLY 54  54  54  GLY GLY BBB . n 
B 2 55  ASP 55  55  55  ASP ASP BBB . n 
B 2 56  ARG 56  56  56  ARG ARG BBB . n 
B 2 57  THR 57  57  57  THR THR BBB . n 
B 2 58  ILE 58  58  58  ILE ILE BBB . n 
B 2 59  TYR 59  59  59  TYR TYR BBB . n 
B 2 60  ALA 60  60  60  ALA ALA BBB . n 
B 2 61  ASP 61  61  61  ASP ASP BBB . n 
B 2 62  SER 62  62  62  SER SER BBB . n 
B 2 63  VAL 63  63  63  VAL VAL BBB . n 
B 2 64  LYS 64  64  64  LYS LYS BBB . n 
B 2 65  GLY 65  65  65  GLY GLY BBB . n 
B 2 66  ARG 66  66  66  ARG ARG BBB . n 
B 2 67  PHE 67  67  67  PHE PHE BBB . n 
B 2 68  THR 68  68  68  THR THR BBB . n 
B 2 69  ILE 69  69  69  ILE ILE BBB . n 
B 2 70  SER 70  70  70  SER SER BBB . n 
B 2 71  ARG 71  71  71  ARG ARG BBB . n 
B 2 72  ASP 72  72  72  ASP ASP BBB . n 
B 2 73  TYR 73  73  73  TYR TYR BBB . n 
B 2 74  GLY 74  74  74  GLY GLY BBB . n 
B 2 75  LYS 75  75  75  LYS LYS BBB . n 
B 2 76  ASN 76  76  76  ASN ASN BBB . n 
B 2 77  THR 77  77  77  THR THR BBB . n 
B 2 78  VAL 78  78  78  VAL VAL BBB . n 
B 2 79  TYR 79  79  79  TYR TYR BBB . n 
B 2 80  LEU 80  80  80  LEU LEU BBB . n 
B 2 81  GLN 81  81  81  GLN GLN BBB . n 
B 2 82  MET 82  82  82  MET MET BBB . n 
B 2 83  ASN 83  83  83  ASN ASN BBB . n 
B 2 84  SER 84  84  84  SER SER BBB . n 
B 2 85  LEU 85  85  85  LEU LEU BBB . n 
B 2 86  LYS 86  86  86  LYS LYS BBB . n 
B 2 87  PRO 87  87  87  PRO PRO BBB . n 
B 2 88  GLU 88  88  88  GLU GLU BBB . n 
B 2 89  ASP 89  89  89  ASP ASP BBB . n 
B 2 90  THR 90  90  90  THR THR BBB . n 
B 2 91  ALA 91  91  91  ALA ALA BBB . n 
B 2 92  MET 92  92  92  MET MET BBB . n 
B 2 93  TYR 93  93  93  TYR TYR BBB . n 
B 2 94  TYR 94  94  94  TYR TYR BBB . n 
B 2 95  CYS 95  95  95  CYS CYS BBB . n 
B 2 96  ALA 96  96  96  ALA ALA BBB . n 
B 2 97  ALA 97  97  97  ALA ALA BBB . n 
B 2 98  LEU 98  98  98  LEU LEU BBB . n 
B 2 99  GLN 99  99  99  GLN GLN BBB . n 
B 2 100 GLY 100 100 100 GLY GLY BBB . n 
B 2 101 SER 101 101 101 SER SER BBB . n 
B 2 102 TYR 102 102 102 TYR TYR BBB . n 
B 2 103 TYR 103 103 103 TYR TYR BBB . n 
B 2 104 TYR 104 104 104 TYR TYR BBB . n 
B 2 105 THR 105 105 105 THR THR BBB . n 
B 2 106 GLY 106 106 106 GLY GLY BBB . n 
B 2 107 PHE 107 107 107 PHE PHE BBB . n 
B 2 108 VAL 108 108 108 VAL VAL BBB . n 
B 2 109 ALA 109 109 109 ALA ALA BBB . n 
B 2 110 ASN 110 110 110 ASN ASN BBB . n 
B 2 111 GLU 111 111 111 GLU GLU BBB . n 
B 2 112 TYR 112 112 112 TYR TYR BBB . n 
B 2 113 ASP 113 113 113 ASP ASP BBB . n 
B 2 114 TYR 114 114 114 TYR TYR BBB . n 
B 2 115 TRP 115 115 115 TRP TRP BBB . n 
B 2 116 GLY 116 116 116 GLY GLY BBB . n 
B 2 117 GLN 117 117 117 GLN GLN BBB . n 
B 2 118 GLY 118 118 118 GLY GLY BBB . n 
B 2 119 ALA 119 119 119 ALA ALA BBB . n 
B 2 120 PRO 120 120 120 PRO PRO BBB . n 
B 2 121 VAL 121 121 121 VAL VAL BBB . n 
B 2 122 THR 122 122 122 THR THR BBB . n 
B 2 123 VAL 123 123 123 VAL VAL BBB . n 
B 2 124 SER 124 124 124 SER SER BBB . n 
B 2 125 SER 125 125 125 SER SER BBB . n 
B 2 126 GLU 126 126 ?   ?   ?   BBB . n 
B 2 127 GLN 127 127 ?   ?   ?   BBB . n 
B 2 128 LYS 128 128 ?   ?   ?   BBB . n 
B 2 129 LEU 129 129 ?   ?   ?   BBB . n 
B 2 130 ILE 130 130 ?   ?   ?   BBB . n 
B 2 131 SER 131 131 ?   ?   ?   BBB . n 
B 2 132 GLU 132 132 ?   ?   ?   BBB . n 
B 2 133 GLU 133 133 ?   ?   ?   BBB . n 
B 2 134 ASP 134 134 ?   ?   ?   BBB . n 
B 2 135 LEU 135 135 ?   ?   ?   BBB . n 
B 2 136 LYS 136 136 ?   ?   ?   BBB . n 
B 2 137 LYS 137 137 ?   ?   ?   BBB . n 
B 2 138 LYS 138 138 ?   ?   ?   BBB . n 
B 2 139 HIS 139 139 ?   ?   ?   BBB . n 
B 2 140 HIS 140 140 ?   ?   ?   BBB . n 
B 2 141 HIS 141 141 ?   ?   ?   BBB . n 
B 2 142 HIS 142 142 ?   ?   ?   BBB . n 
B 2 143 HIS 143 143 ?   ?   ?   BBB . n 
B 2 144 HIS 144 144 ?   ?   ?   BBB . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 3 NAG 1   601 251 NAG NAG AAA . 
D 4 PO4 1   602 1   PO4 PO4 AAA . 
E 5 PEG 1   201 201 PEG PEG BBB . 
F 5 PEG 1   202 401 PEG PEG BBB . 
G 5 PEG 1   203 501 PEG PEG BBB . 
H 6 HOH 1   701 115 HOH HOH AAA . 
H 6 HOH 2   702 77  HOH HOH AAA . 
H 6 HOH 3   703 41  HOH HOH AAA . 
H 6 HOH 4   704 6   HOH HOH AAA . 
H 6 HOH 5   705 135 HOH HOH AAA . 
H 6 HOH 6   706 65  HOH HOH AAA . 
H 6 HOH 7   707 43  HOH HOH AAA . 
H 6 HOH 8   708 107 HOH HOH AAA . 
H 6 HOH 9   709 106 HOH HOH AAA . 
H 6 HOH 10  710 68  HOH HOH AAA . 
H 6 HOH 11  711 21  HOH HOH AAA . 
H 6 HOH 12  712 56  HOH HOH AAA . 
H 6 HOH 13  713 53  HOH HOH AAA . 
H 6 HOH 14  714 136 HOH HOH AAA . 
H 6 HOH 15  715 78  HOH HOH AAA . 
H 6 HOH 16  716 71  HOH HOH AAA . 
H 6 HOH 17  717 13  HOH HOH AAA . 
H 6 HOH 18  718 15  HOH HOH AAA . 
H 6 HOH 19  719 67  HOH HOH AAA . 
H 6 HOH 20  720 150 HOH HOH AAA . 
H 6 HOH 21  721 1   HOH HOH AAA . 
H 6 HOH 22  722 131 HOH HOH AAA . 
H 6 HOH 23  723 9   HOH HOH AAA . 
H 6 HOH 24  724 117 HOH HOH AAA . 
H 6 HOH 25  725 8   HOH HOH AAA . 
H 6 HOH 26  726 108 HOH HOH AAA . 
H 6 HOH 27  727 10  HOH HOH AAA . 
H 6 HOH 28  728 38  HOH HOH AAA . 
H 6 HOH 29  729 33  HOH HOH AAA . 
H 6 HOH 30  730 2   HOH HOH AAA . 
H 6 HOH 31  731 4   HOH HOH AAA . 
H 6 HOH 32  732 62  HOH HOH AAA . 
H 6 HOH 33  733 148 HOH HOH AAA . 
H 6 HOH 34  734 55  HOH HOH AAA . 
H 6 HOH 35  735 3   HOH HOH AAA . 
H 6 HOH 36  736 79  HOH HOH AAA . 
H 6 HOH 37  737 94  HOH HOH AAA . 
H 6 HOH 38  738 17  HOH HOH AAA . 
H 6 HOH 39  739 39  HOH HOH AAA . 
H 6 HOH 40  740 57  HOH HOH AAA . 
H 6 HOH 41  741 27  HOH HOH AAA . 
H 6 HOH 42  742 105 HOH HOH AAA . 
H 6 HOH 43  743 32  HOH HOH AAA . 
H 6 HOH 44  744 63  HOH HOH AAA . 
H 6 HOH 45  745 80  HOH HOH AAA . 
H 6 HOH 46  746 24  HOH HOH AAA . 
H 6 HOH 47  747 25  HOH HOH AAA . 
H 6 HOH 48  748 66  HOH HOH AAA . 
H 6 HOH 49  749 88  HOH HOH AAA . 
H 6 HOH 50  750 14  HOH HOH AAA . 
H 6 HOH 51  751 34  HOH HOH AAA . 
H 6 HOH 52  752 119 HOH HOH AAA . 
H 6 HOH 53  753 26  HOH HOH AAA . 
H 6 HOH 54  754 37  HOH HOH AAA . 
H 6 HOH 55  755 47  HOH HOH AAA . 
H 6 HOH 56  756 19  HOH HOH AAA . 
H 6 HOH 57  757 44  HOH HOH AAA . 
H 6 HOH 58  758 141 HOH HOH AAA . 
H 6 HOH 59  759 50  HOH HOH AAA . 
H 6 HOH 60  760 28  HOH HOH AAA . 
H 6 HOH 61  761 52  HOH HOH AAA . 
H 6 HOH 62  762 11  HOH HOH AAA . 
H 6 HOH 63  763 116 HOH HOH AAA . 
H 6 HOH 64  764 87  HOH HOH AAA . 
H 6 HOH 65  765 70  HOH HOH AAA . 
H 6 HOH 66  766 140 HOH HOH AAA . 
H 6 HOH 67  767 92  HOH HOH AAA . 
H 6 HOH 68  768 89  HOH HOH AAA . 
H 6 HOH 69  769 64  HOH HOH AAA . 
H 6 HOH 70  770 59  HOH HOH AAA . 
H 6 HOH 71  771 93  HOH HOH AAA . 
H 6 HOH 72  772 152 HOH HOH AAA . 
H 6 HOH 73  773 85  HOH HOH AAA . 
H 6 HOH 74  774 83  HOH HOH AAA . 
H 6 HOH 75  775 61  HOH HOH AAA . 
H 6 HOH 76  776 97  HOH HOH AAA . 
H 6 HOH 77  777 36  HOH HOH AAA . 
H 6 HOH 78  778 128 HOH HOH AAA . 
H 6 HOH 79  779 72  HOH HOH AAA . 
H 6 HOH 80  780 147 HOH HOH AAA . 
H 6 HOH 81  781 151 HOH HOH AAA . 
H 6 HOH 82  782 103 HOH HOH AAA . 
H 6 HOH 83  783 118 HOH HOH AAA . 
H 6 HOH 84  784 49  HOH HOH AAA . 
H 6 HOH 85  785 90  HOH HOH AAA . 
H 6 HOH 86  786 40  HOH HOH AAA . 
H 6 HOH 87  787 126 HOH HOH AAA . 
H 6 HOH 88  788 133 HOH HOH AAA . 
H 6 HOH 89  789 45  HOH HOH AAA . 
H 6 HOH 90  790 130 HOH HOH AAA . 
H 6 HOH 91  791 137 HOH HOH AAA . 
H 6 HOH 92  792 139 HOH HOH AAA . 
H 6 HOH 93  793 120 HOH HOH AAA . 
H 6 HOH 94  794 138 HOH HOH AAA . 
H 6 HOH 95  795 125 HOH HOH AAA . 
H 6 HOH 96  796 112 HOH HOH AAA . 
H 6 HOH 97  797 102 HOH HOH AAA . 
H 6 HOH 98  798 111 HOH HOH AAA . 
H 6 HOH 99  799 132 HOH HOH AAA . 
H 6 HOH 100 800 42  HOH HOH AAA . 
H 6 HOH 101 801 46  HOH HOH AAA . 
H 6 HOH 102 802 76  HOH HOH AAA . 
H 6 HOH 103 803 129 HOH HOH AAA . 
H 6 HOH 104 804 74  HOH HOH AAA . 
H 6 HOH 105 805 127 HOH HOH AAA . 
H 6 HOH 106 806 95  HOH HOH AAA . 
H 6 HOH 107 807 101 HOH HOH AAA . 
I 6 HOH 1   301 142 HOH HOH BBB . 
I 6 HOH 2   302 114 HOH HOH BBB . 
I 6 HOH 3   303 110 HOH HOH BBB . 
I 6 HOH 4   304 29  HOH HOH BBB . 
I 6 HOH 5   305 134 HOH HOH BBB . 
I 6 HOH 6   306 98  HOH HOH BBB . 
I 6 HOH 7   307 7   HOH HOH BBB . 
I 6 HOH 8   308 124 HOH HOH BBB . 
I 6 HOH 9   309 12  HOH HOH BBB . 
I 6 HOH 10  310 48  HOH HOH BBB . 
I 6 HOH 11  311 23  HOH HOH BBB . 
I 6 HOH 12  312 91  HOH HOH BBB . 
I 6 HOH 13  313 30  HOH HOH BBB . 
I 6 HOH 14  314 82  HOH HOH BBB . 
I 6 HOH 15  315 22  HOH HOH BBB . 
I 6 HOH 16  316 51  HOH HOH BBB . 
I 6 HOH 17  317 149 HOH HOH BBB . 
I 6 HOH 18  318 20  HOH HOH BBB . 
I 6 HOH 19  319 18  HOH HOH BBB . 
I 6 HOH 20  320 122 HOH HOH BBB . 
I 6 HOH 21  321 123 HOH HOH BBB . 
I 6 HOH 22  322 146 HOH HOH BBB . 
I 6 HOH 23  323 153 HOH HOH BBB . 
I 6 HOH 24  324 75  HOH HOH BBB . 
I 6 HOH 25  325 145 HOH HOH BBB . 
I 6 HOH 26  326 96  HOH HOH BBB . 
I 6 HOH 27  327 121 HOH HOH BBB . 
I 6 HOH 28  328 143 HOH HOH BBB . 
I 6 HOH 29  329 69  HOH HOH BBB . 
I 6 HOH 30  330 144 HOH HOH BBB . 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I 
# 
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)' 2680  ? 
1 MORE         5     ? 
1 'SSA (A^2)'  15310 ? 
# 
_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_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2021-05-12 
2 'Structure model' 1 1 2021-05-19 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            citation 
# 
_pdbx_audit_revision_item.ordinal             1 
_pdbx_audit_revision_item.revision_ordinal    2 
_pdbx_audit_revision_item.data_content_type   'Structure model' 
_pdbx_audit_revision_item.item                '_citation.journal_volume' 
# 
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 24.7403  -8.0440  40.7998 0.4335 ? 0.0430  ? -0.0576 ? 0.4185 ? 0.0203  ? 0.4610 ? 1.5262  ? 
2.9238  ? -4.7456 ? 16.6277 ? -11.5694 ? 18.2101 ? 0.1191  ? 0.0135  ? -0.2780 ? 0.3179  ? 0.0662  ? -0.3730 ? -0.1528 ? -0.2562 ? 
-0.1854 ? 
2  'X-RAY DIFFRACTION' ? refined 23.9572  -14.8402 21.3555 0.1393 ? -0.0965 ? -0.0064 ? 0.4361 ? -0.0514 ? 0.1008 ? 4.2219  ? 
-3.7277 ? -0.8394 ? 10.6080 ? 1.2311   ? 4.5501  ? -0.0464 ? -0.6413 ? 0.6095  ? 0.5957  ? 0.0648  ? -0.3732 ? -0.6014 ? 0.5923  ? 
-0.0184 ? 
3  'X-RAY DIFFRACTION' ? refined 13.7579  -15.4150 32.6247 0.3633 ? 0.1163  ? 0.0487  ? 0.7664 ? 0.0231  ? 0.1247 ? 6.9856  ? 
-1.0741 ? -0.4644 ? 2.4046  ? -1.1267  ? 0.9887  ? -0.2849 ? -1.4964 ? -0.1441 ? 0.7676  ? 0.2626  ? -0.0037 ? -0.2944 ? 0.4509  ? 
0.0223  ? 
4  'X-RAY DIFFRACTION' ? refined 12.8601  -22.6064 16.0379 0.0322 ? -0.0044 ? -0.0290 ? 0.2111 ? 0.0777  ? 0.1565 ? 1.9108  ? 
-1.8625 ? -2.2153 ? 6.6770  ? -1.8632  ? 5.9312  ? 0.0973  ? 0.0693  ? -0.2840 ? -0.2742 ? 0.1147  ? 0.9369  ? 0.0086  ? -0.1752 ? 
-0.2120 ? 
5  'X-RAY DIFFRACTION' ? refined 20.0492  -24.4321 11.5165 0.0345 ? -0.0323 ? -0.0232 ? 0.1668 ? 0.0517  ? 0.0612 ? 3.6899  ? 
-1.2248 ? -2.4261 ? 3.9860  ? 0.5622   ? 3.1607  ? -0.0179 ? -0.1810 ? -0.2505 ? -0.2997 ? 0.0782  ? 0.1789  ? 0.0846  ? 0.1419  ? 
-0.0603 ? 
6  'X-RAY DIFFRACTION' ? refined -8.7025  -23.0787 21.3860 0.3330 ? -0.0388 ? 0.0094  ? 0.3606 ? 0.0246  ? 0.3568 ? 12.0814 ? 
-9.9780 ? 7.4581  ? 10.3439 ? -8.1377  ? 7.5142  ? 0.4075  ? 0.2237  ? -0.4344 ? -0.0487 ? -0.3395 ? 0.3838  ? 0.1348  ? 0.5722  ? 
-0.0680 ? 
7  'X-RAY DIFFRACTION' ? refined -25.3223 -8.7817  11.4117 0.2189 ? -0.0498 ? -0.0145 ? 0.4439 ? 0.0738  ? 0.5037 ? 0.0357  ? 
0.1838  ? 0.3533  ? 10.6456 ? 0.2039   ? 3.9138  ? 0.0158  ? -0.0421 ? -0.0052 ? -0.8020 ? -0.2325 ? -0.3640 ? 0.1613  ? -0.3335 ? 
0.2167  ? 
8  'X-RAY DIFFRACTION' ? refined -10.6009 -14.8753 19.0229 0.2498 ? -0.0648 ? -0.0174 ? 0.1856 ? 0.0451  ? 0.4722 ? 6.8955  ? 
-1.6268 ? 2.5108  ? 3.0393  ? -1.9169  ? 7.3259  ? -0.0162 ? -0.3073 ? -0.6898 ? -0.2387 ? 0.1384  ? 0.8280  ? 0.6238  ? -0.4557 ? 
-0.1222 ? 
9  'X-RAY DIFFRACTION' ? refined -7.7277  -11.7587 2.9823  0.3655 ? 0.0213  ? 0.0191  ? 0.4057 ? -0.0460 ? 0.4025 ? 4.3288  ? 
2.5009  ? 0.6741  ? 2.4838  ? 3.4791   ? 9.4146  ? -0.3539 ? 0.5706  ? -0.1705 ? -0.2859 ? 0.1752  ? -0.0233 ? -0.2466 ? -0.1779 ? 
0.1787  ? 
10 'X-RAY DIFFRACTION' ? refined -9.3360  -7.9494  18.4019 0.1423 ? -0.0537 ? -0.0078 ? 0.1896 ? 0.0375  ? 0.3242 ? 4.8472  ? 
-2.9861 ? 1.8932  ? 3.3067  ? -0.9542  ? 3.3453  ? -0.0415 ? -0.3161 ? -0.4977 ? -0.2156 ? 0.0463  ? 0.6933  ? 0.0922  ? -0.3661 ? 
-0.0048 ? 
11 'X-RAY DIFFRACTION' ? refined -11.2490 -16.0966 11.9725 0.3254 ? -0.0735 ? -0.1231 ? 0.2020 ? -0.0554 ? 0.7015 ? 12.0046 ? 
1.5633  ? 3.4826  ? 1.6903  ? -1.3020  ? 7.6274  ? 0.0733  ? -0.3773 ? -1.4718 ? -0.3760 ? 0.1285  ? 0.4084  ? 0.5417  ? -0.5917 ? 
-0.2018 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1  'X-RAY DIFFRACTION' 1  ? ? AAA 332 ? ? ? AAA 335 ? ALL ? 
2  'X-RAY DIFFRACTION' 2  ? ? AAA 336 ? ? ? AAA 356 ? ALL ? 
3  'X-RAY DIFFRACTION' 3  ? ? AAA 357 ? ? ? AAA 396 ? ALL ? 
4  'X-RAY DIFFRACTION' 4  ? ? AAA 397 ? ? ? AAA 415 ? ALL ? 
5  'X-RAY DIFFRACTION' 5  ? ? AAA 416 ? ? ? AAA 518 ? ALL ? 
6  'X-RAY DIFFRACTION' 6  ? ? BBB 1   ? ? ? BBB 6   ? ALL ? 
7  'X-RAY DIFFRACTION' 7  ? ? BBB 7   ? ? ? BBB 17  ? ALL ? 
8  'X-RAY DIFFRACTION' 8  ? ? BBB 18  ? ? ? BBB 40  ? ALL ? 
9  'X-RAY DIFFRACTION' 9  ? ? BBB 41  ? ? ? BBB 45  ? ALL ? 
10 'X-RAY DIFFRACTION' 10 ? ? BBB 46  ? ? ? BBB 109 ? ALL ? 
11 'X-RAY DIFFRACTION' 11 ? ? BBB 110 ? ? ? BBB 125 ? 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 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .        4 
# 
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 PHE AAA 377 ? ? -150.36 84.42  
2 1 ASN AAA 422 ? ? -120.98 -54.97 
3 1 PHE AAA 429 ? ? -39.92  127.47 
4 1 HIS AAA 519 ? ? -60.39  93.78  
5 1 ALA AAA 520 ? ? 179.94  165.17 
6 1 SER BBB 7   ? ? -173.38 148.32 
7 1 ALA BBB 91  ? ? 179.68  166.47 
# 
_pdbx_unobs_or_zero_occ_atoms.id               1 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num    1 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag     Y 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag   1 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id     AAA 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id     CYS 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id      336 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code     ? 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id     O 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id     ? 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id    A 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id    CYS 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id     18 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id    O 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 AAA ARG 319 ? A ARG 1   
2  1 Y 1 AAA VAL 320 ? A VAL 2   
3  1 Y 1 AAA GLN 321 ? A GLN 3   
4  1 Y 1 AAA PRO 322 ? A PRO 4   
5  1 Y 1 AAA THR 323 ? A THR 5   
6  1 Y 1 AAA GLU 324 ? A GLU 6   
7  1 Y 1 AAA SER 325 ? A SER 7   
8  1 Y 1 AAA ILE 326 ? A ILE 8   
9  1 Y 1 AAA VAL 327 ? A VAL 9   
10 1 Y 1 AAA ARG 328 ? A ARG 10  
11 1 Y 1 AAA PHE 329 ? A PHE 11  
12 1 Y 1 AAA PRO 330 ? A PRO 12  
13 1 Y 1 AAA ASN 331 ? A ASN 13  
14 1 Y 1 AAA LYS 528 ? A LYS 210 
15 1 Y 1 AAA LYS 529 ? A LYS 211 
16 1 Y 1 AAA SER 530 ? A SER 212 
17 1 Y 1 AAA THR 531 ? A THR 213 
18 1 Y 1 AAA ASN 532 ? A ASN 214 
19 1 Y 1 AAA LEU 533 ? A LEU 215 
20 1 Y 1 AAA VAL 534 ? A VAL 216 
21 1 Y 1 AAA LYS 535 ? A LYS 217 
22 1 Y 1 AAA ASN 536 ? A ASN 218 
23 1 Y 1 AAA LYS 537 ? A LYS 219 
24 1 Y 1 AAA CYS 538 ? A CYS 220 
25 1 Y 1 AAA VAL 539 ? A VAL 221 
26 1 Y 1 AAA ASN 540 ? A ASN 222 
27 1 Y 1 AAA PHE 541 ? A PHE 223 
28 1 Y 1 AAA HIS 542 ? A HIS 224 
29 1 Y 1 AAA HIS 543 ? A HIS 225 
30 1 Y 1 AAA HIS 544 ? A HIS 226 
31 1 Y 1 AAA HIS 545 ? A HIS 227 
32 1 Y 1 AAA HIS 546 ? A HIS 228 
33 1 Y 1 AAA HIS 547 ? A HIS 229 
34 1 Y 1 BBB GLU 126 ? B GLU 126 
35 1 Y 1 BBB GLN 127 ? B GLN 127 
36 1 Y 1 BBB LYS 128 ? B LYS 128 
37 1 Y 1 BBB LEU 129 ? B LEU 129 
38 1 Y 1 BBB ILE 130 ? B ILE 130 
39 1 Y 1 BBB SER 131 ? B SER 131 
40 1 Y 1 BBB GLU 132 ? B GLU 132 
41 1 Y 1 BBB GLU 133 ? B GLU 133 
42 1 Y 1 BBB ASP 134 ? B ASP 134 
43 1 Y 1 BBB LEU 135 ? B LEU 135 
44 1 Y 1 BBB LYS 136 ? B LYS 136 
45 1 Y 1 BBB LYS 137 ? B LYS 137 
46 1 Y 1 BBB LYS 138 ? B LYS 138 
47 1 Y 1 BBB HIS 139 ? B HIS 139 
48 1 Y 1 BBB HIS 140 ? B HIS 140 
49 1 Y 1 BBB HIS 141 ? B HIS 141 
50 1 Y 1 BBB HIS 142 ? B HIS 142 
51 1 Y 1 BBB HIS 143 ? B HIS 143 
52 1 Y 1 BBB HIS 144 ? B HIS 144 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
NAG 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DGlcpNAcb                      
NAG 'COMMON NAME'                         GMML     1.0 N-acetyl-b-D-glucopyranosamine 
NAG 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 b-D-GlcpNAc                    
NAG 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 GlcNAc                         
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 2-acetamido-2-deoxy-beta-D-glucopyranose NAG 
4 'PHOSPHATE ION'                          PO4 
5 'DI(HYDROXYETHYL)ETHER'                  PEG 
6 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                ? 
# 
