data_7OAP
# 
_entry.id   7OAP 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.347 
_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   7OAP         pdb_00007oap 10.2210/pdb7oap/pdb 
WWPDB D_1292115384 ?            ?                   
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        7OAP 
_pdbx_database_status.recvd_initial_deposition_date   2021-04-19 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Naismith, J.H.' 1 0000-0001-6744-5061 
'Mikolajek, H.'  2 0000-0003-0776-9974 
# 
_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                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Res Sq' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2693-5015 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19' 
_citation.year                      2021 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.21203/rs.3.rs-548968/v1 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Huo, J.'          1  ? 
primary 'Mikolajek, H.'    2  ? 
primary 'Le Bas, A.'       3  ? 
primary 'Clark, J.'        4  ? 
primary 'Sharma, P.'       5  ? 
primary 'Kipar, A.'        6  ? 
primary 'Dormon, J.'       7  ? 
primary 'Norman, C.'       8  ? 
primary 'Weckener, M.'     9  ? 
primary 'Clare, D.'        10 ? 
primary 'Harrison, P.'     11 ? 
primary 'Tree, J.'         12 ? 
primary 'Buttigieg, K.'    13 ? 
primary 'Salguero, F.'     14 ? 
primary 'Watson, R.'       15 ? 
primary 'Knott, D.'        16 ? 
primary 'Carnell, O.'      17 ? 
primary 'Ngabo, D.'        18 ? 
primary 'Elmore, M.'       19 ? 
primary 'Fotheringham, S.' 20 ? 
primary 'Harding, A.'      21 ? 
primary 'Ward, P.'         22 ? 
primary 'Moynie, L.'       23 ? 
primary 'Dumoux, M.'       24 ? 
primary 'Hall, Y.'         25 ? 
primary 'Hiscox, J.'       26 ? 
primary 'Owen, A.'         27 ? 
primary 'James, W.'        28 ? 
primary 'Carroll, M.'      29 ? 
primary 'Stewart, J.'      30 ? 
primary 'Naismith, J.'     31 ? 
primary 'Owens, R.'        32 ? 
# 
_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                     7OAP 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     105.683 
_cell.length_a_esd                 ? 
_cell.length_b                     105.683 
_cell.length_b_esd                 ? 
_cell.length_c                     112.539 
_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                         7OAP 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                96 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 43 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'C1 nanobody'                            14659.114 1   ? ? ? ? 
2 polymer     man 'Spike protein S1'                       23619.461 1   ? ? ? ? 
3 polymer     man 'H3 nanobody'                            15134.849 1   ? ? ? ? 
4 non-polymer syn 2-acetamido-2-deoxy-beta-D-glucopyranose 221.208   1   ? ? ? ? 
5 non-polymer syn 'CITRIC ACID'                            192.124   1   ? ? ? ? 
6 non-polymer syn 'CHLORIDE ION'                           35.453    1   ? ? ? ? 
7 water       nat water                                    18.015    235 ? ? ? ? 
# 
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 
;QVQLVESGGGLVQPGGSLRLSCAASGFTNDFYSIAWFRQAPGKEREGVSWLSVSDNTPTYVDSVKDRFTISRHNANNTVY
LQMNMLKPEDTAIYYCAAGRFAGRDTWPSSYDYWGQGTQVTVSSKHHHHHH
;
;QVQLVESGGGLVQPGGSLRLSCAASGFTNDFYSIAWFRQAPGKEREGVSWLSVSDNTPTYVDSVKDRFTISRHNANNTVY
LQMNMLKPEDTAIYYCAAGRFAGRDTWPSSYDYWGQGTQVTVSSKHHHHHH
;
AAA ? 
2 'polypeptide(L)' no no 
;NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQI
APGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYF
PLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNKHHHHHH
;
;NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQI
APGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYF
PLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNKHHHHHH
;
EEE ? 
3 'polypeptide(L)' no no 
;MAQVQLVESGGGLVKTGGSLRLSCAASGRTFSTYSMGWFRQAPGKEREFVAGMRWTGSSTFYSDSVKGRFTVSRNNAKDT
VYLHMNSLKPEDTAVYYCAITTIVRAYYTEYTEADFGSWGQGTQVTVSSKHHHHHH
;
;MAQVQLVESGGGLVKTGGSLRLSCAASGRTFSTYSMGWFRQAPGKEREFVAGMRWTGSSTFYSDSVKGRFTVSRNNAKDT
VYLHMNSLKPEDTAVYYCAITTIVRAYYTEYTEADFGSWGQGTQVTVSSKHHHHHH
;
FFF ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLN n 
1 2   VAL n 
1 3   GLN n 
1 4   LEU n 
1 5   VAL n 
1 6   GLU n 
1 7   SER n 
1 8   GLY n 
1 9   GLY n 
1 10  GLY n 
1 11  LEU n 
1 12  VAL n 
1 13  GLN n 
1 14  PRO n 
1 15  GLY n 
1 16  GLY n 
1 17  SER n 
1 18  LEU n 
1 19  ARG n 
1 20  LEU n 
1 21  SER n 
1 22  CYS n 
1 23  ALA n 
1 24  ALA n 
1 25  SER n 
1 26  GLY n 
1 27  PHE n 
1 28  THR n 
1 29  ASN n 
1 30  ASP n 
1 31  PHE n 
1 32  TYR n 
1 33  SER n 
1 34  ILE n 
1 35  ALA n 
1 36  TRP n 
1 37  PHE n 
1 38  ARG n 
1 39  GLN n 
1 40  ALA n 
1 41  PRO n 
1 42  GLY n 
1 43  LYS n 
1 44  GLU n 
1 45  ARG n 
1 46  GLU n 
1 47  GLY n 
1 48  VAL n 
1 49  SER n 
1 50  TRP n 
1 51  LEU n 
1 52  SER n 
1 53  VAL n 
1 54  SER n 
1 55  ASP n 
1 56  ASN n 
1 57  THR n 
1 58  PRO n 
1 59  THR n 
1 60  TYR n 
1 61  VAL n 
1 62  ASP n 
1 63  SER n 
1 64  VAL n 
1 65  LYS n 
1 66  ASP n 
1 67  ARG n 
1 68  PHE n 
1 69  THR n 
1 70  ILE n 
1 71  SER n 
1 72  ARG n 
1 73  HIS n 
1 74  ASN n 
1 75  ALA n 
1 76  ASN n 
1 77  ASN n 
1 78  THR n 
1 79  VAL n 
1 80  TYR n 
1 81  LEU n 
1 82  GLN n 
1 83  MET n 
1 84  ASN n 
1 85  MET n 
1 86  LEU n 
1 87  LYS n 
1 88  PRO n 
1 89  GLU n 
1 90  ASP n 
1 91  THR n 
1 92  ALA n 
1 93  ILE n 
1 94  TYR n 
1 95  TYR n 
1 96  CYS n 
1 97  ALA n 
1 98  ALA n 
1 99  GLY n 
1 100 ARG n 
1 101 PHE n 
1 102 ALA n 
1 103 GLY n 
1 104 ARG n 
1 105 ASP n 
1 106 THR n 
1 107 TRP n 
1 108 PRO n 
1 109 SER n 
1 110 SER n 
1 111 TYR n 
1 112 ASP n 
1 113 TYR n 
1 114 TRP n 
1 115 GLY n 
1 116 GLN n 
1 117 GLY n 
1 118 THR n 
1 119 GLN n 
1 120 VAL n 
1 121 THR n 
1 122 VAL n 
1 123 SER n 
1 124 SER n 
1 125 LYS n 
1 126 HIS n 
1 127 HIS n 
1 128 HIS n 
1 129 HIS n 
1 130 HIS n 
1 131 HIS n 
2 1   ASN n 
2 2   ILE n 
2 3   THR n 
2 4   ASN n 
2 5   LEU n 
2 6   CYS n 
2 7   PRO n 
2 8   PHE n 
2 9   GLY n 
2 10  GLU n 
2 11  VAL n 
2 12  PHE n 
2 13  ASN n 
2 14  ALA n 
2 15  THR n 
2 16  ARG n 
2 17  PHE n 
2 18  ALA n 
2 19  SER n 
2 20  VAL n 
2 21  TYR n 
2 22  ALA n 
2 23  TRP n 
2 24  ASN n 
2 25  ARG n 
2 26  LYS n 
2 27  ARG n 
2 28  ILE n 
2 29  SER n 
2 30  ASN n 
2 31  CYS n 
2 32  VAL n 
2 33  ALA n 
2 34  ASP n 
2 35  TYR n 
2 36  SER n 
2 37  VAL n 
2 38  LEU n 
2 39  TYR n 
2 40  ASN n 
2 41  SER n 
2 42  ALA n 
2 43  SER n 
2 44  PHE n 
2 45  SER n 
2 46  THR n 
2 47  PHE n 
2 48  LYS n 
2 49  CYS n 
2 50  TYR n 
2 51  GLY n 
2 52  VAL n 
2 53  SER n 
2 54  PRO n 
2 55  THR n 
2 56  LYS n 
2 57  LEU n 
2 58  ASN n 
2 59  ASP n 
2 60  LEU n 
2 61  CYS n 
2 62  PHE n 
2 63  THR n 
2 64  ASN n 
2 65  VAL n 
2 66  TYR n 
2 67  ALA n 
2 68  ASP n 
2 69  SER n 
2 70  PHE n 
2 71  VAL n 
2 72  ILE n 
2 73  ARG n 
2 74  GLY n 
2 75  ASP n 
2 76  GLU n 
2 77  VAL n 
2 78  ARG n 
2 79  GLN n 
2 80  ILE n 
2 81  ALA n 
2 82  PRO n 
2 83  GLY n 
2 84  GLN n 
2 85  THR n 
2 86  GLY n 
2 87  LYS n 
2 88  ILE n 
2 89  ALA n 
2 90  ASP n 
2 91  TYR n 
2 92  ASN n 
2 93  TYR n 
2 94  LYS n 
2 95  LEU n 
2 96  PRO n 
2 97  ASP n 
2 98  ASP n 
2 99  PHE n 
2 100 THR n 
2 101 GLY n 
2 102 CYS n 
2 103 VAL n 
2 104 ILE n 
2 105 ALA n 
2 106 TRP n 
2 107 ASN n 
2 108 SER n 
2 109 ASN n 
2 110 ASN n 
2 111 LEU n 
2 112 ASP n 
2 113 SER n 
2 114 LYS n 
2 115 VAL n 
2 116 GLY n 
2 117 GLY n 
2 118 ASN n 
2 119 TYR n 
2 120 ASN n 
2 121 TYR n 
2 122 LEU n 
2 123 TYR n 
2 124 ARG n 
2 125 LEU n 
2 126 PHE n 
2 127 ARG n 
2 128 LYS n 
2 129 SER n 
2 130 ASN n 
2 131 LEU n 
2 132 LYS n 
2 133 PRO n 
2 134 PHE n 
2 135 GLU n 
2 136 ARG n 
2 137 ASP n 
2 138 ILE n 
2 139 SER n 
2 140 THR n 
2 141 GLU n 
2 142 ILE n 
2 143 TYR n 
2 144 GLN n 
2 145 ALA n 
2 146 GLY n 
2 147 SER n 
2 148 THR n 
2 149 PRO n 
2 150 CYS n 
2 151 ASN n 
2 152 GLY n 
2 153 VAL n 
2 154 GLU n 
2 155 GLY n 
2 156 PHE n 
2 157 ASN n 
2 158 CYS n 
2 159 TYR n 
2 160 PHE n 
2 161 PRO n 
2 162 LEU n 
2 163 GLN n 
2 164 SER n 
2 165 TYR n 
2 166 GLY n 
2 167 PHE n 
2 168 GLN n 
2 169 PRO n 
2 170 THR n 
2 171 ASN n 
2 172 GLY n 
2 173 VAL n 
2 174 GLY n 
2 175 TYR n 
2 176 GLN n 
2 177 PRO n 
2 178 TYR n 
2 179 ARG n 
2 180 VAL n 
2 181 VAL n 
2 182 VAL n 
2 183 LEU n 
2 184 SER n 
2 185 PHE n 
2 186 GLU n 
2 187 LEU n 
2 188 LEU n 
2 189 HIS n 
2 190 ALA n 
2 191 PRO n 
2 192 ALA n 
2 193 THR n 
2 194 VAL n 
2 195 CYS n 
2 196 GLY n 
2 197 PRO n 
2 198 LYS n 
2 199 LYS n 
2 200 SER n 
2 201 THR n 
2 202 ASN n 
2 203 LYS n 
2 204 HIS n 
2 205 HIS n 
2 206 HIS n 
2 207 HIS n 
2 208 HIS n 
2 209 HIS n 
3 1   MET n 
3 2   ALA n 
3 3   GLN n 
3 4   VAL n 
3 5   GLN n 
3 6   LEU n 
3 7   VAL n 
3 8   GLU n 
3 9   SER n 
3 10  GLY n 
3 11  GLY n 
3 12  GLY n 
3 13  LEU n 
3 14  VAL n 
3 15  LYS n 
3 16  THR n 
3 17  GLY n 
3 18  GLY n 
3 19  SER n 
3 20  LEU n 
3 21  ARG n 
3 22  LEU n 
3 23  SER n 
3 24  CYS n 
3 25  ALA n 
3 26  ALA n 
3 27  SER n 
3 28  GLY n 
3 29  ARG n 
3 30  THR n 
3 31  PHE n 
3 32  SER n 
3 33  THR n 
3 34  TYR n 
3 35  SER n 
3 36  MET n 
3 37  GLY n 
3 38  TRP n 
3 39  PHE n 
3 40  ARG n 
3 41  GLN n 
3 42  ALA n 
3 43  PRO n 
3 44  GLY n 
3 45  LYS n 
3 46  GLU n 
3 47  ARG n 
3 48  GLU n 
3 49  PHE n 
3 50  VAL n 
3 51  ALA n 
3 52  GLY n 
3 53  MET n 
3 54  ARG n 
3 55  TRP n 
3 56  THR n 
3 57  GLY n 
3 58  SER n 
3 59  SER n 
3 60  THR n 
3 61  PHE n 
3 62  TYR n 
3 63  SER n 
3 64  ASP n 
3 65  SER n 
3 66  VAL n 
3 67  LYS n 
3 68  GLY n 
3 69  ARG n 
3 70  PHE n 
3 71  THR n 
3 72  VAL n 
3 73  SER n 
3 74  ARG n 
3 75  ASN n 
3 76  ASN n 
3 77  ALA n 
3 78  LYS n 
3 79  ASP n 
3 80  THR n 
3 81  VAL n 
3 82  TYR n 
3 83  LEU n 
3 84  HIS n 
3 85  MET n 
3 86  ASN n 
3 87  SER n 
3 88  LEU n 
3 89  LYS n 
3 90  PRO n 
3 91  GLU n 
3 92  ASP n 
3 93  THR n 
3 94  ALA n 
3 95  VAL n 
3 96  TYR n 
3 97  TYR n 
3 98  CYS n 
3 99  ALA n 
3 100 ILE n 
3 101 THR n 
3 102 THR n 
3 103 ILE n 
3 104 VAL n 
3 105 ARG n 
3 106 ALA n 
3 107 TYR n 
3 108 TYR n 
3 109 THR n 
3 110 GLU n 
3 111 TYR n 
3 112 THR n 
3 113 GLU n 
3 114 ALA n 
3 115 ASP n 
3 116 PHE n 
3 117 GLY n 
3 118 SER n 
3 119 TRP n 
3 120 GLY n 
3 121 GLN n 
3 122 GLY n 
3 123 THR n 
3 124 GLN n 
3 125 VAL n 
3 126 THR n 
3 127 VAL n 
3 128 SER n 
3 129 SER n 
3 130 LYS n 
3 131 HIS n 
3 132 HIS n 
3 133 HIS n 
3 134 HIS n 
3 135 HIS n 
3 136 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' 1 131 ?                       ? ?      ? ? ? ? ? ? 'Lama glama' 9844    ? ? ? ? ? ? ? ? 
'Escherichia coli' 562  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 209 '2019-nCoV, SARS-CoV-2' ? 'S, 2' ? ? ? ? ? ? 
'Severe acute respiratory syndrome coronavirus 2' 2697049 ? ? ? ? ? ? ? ? 'Homo sapiens'     9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
? ? ? ? ? 
3 1 sample 'Biological sequence' 1 136 ?                       ? ?      ? ? ? ? ? ? 'Lama glama' 9844    ? ? ? ? ? ? ? ? 
'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 PDB 7OAP        7OAP   ? 1 ? 1   
2 UNP SPIKE_SARS2 P0DTC2 ? 2 
;NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQI
APGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYF
PLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTN
;
331 
3 PDB 7OAP        7OAP   ? 3 ? 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 7OAP AAA 1 ? 131 ? 7OAP   1   ? 131 ? 1   131 
2 2 7OAP EEE 1 ? 202 ? P0DTC2 331 ? 532 ? 331 532 
3 3 7OAP FFF 1 ? 136 ? 7OAP   -1  ? 134 ? -1  134 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
2 7OAP LYS EEE 203 ? UNP P0DTC2 ? ? 'expression tag' 533 1 
2 7OAP HIS EEE 204 ? UNP P0DTC2 ? ? 'expression tag' 534 2 
2 7OAP HIS EEE 205 ? UNP P0DTC2 ? ? 'expression tag' 535 3 
2 7OAP HIS EEE 206 ? UNP P0DTC2 ? ? 'expression tag' 536 4 
2 7OAP HIS EEE 207 ? UNP P0DTC2 ? ? 'expression tag' 537 5 
2 7OAP HIS EEE 208 ? UNP P0DTC2 ? ? 'expression tag' 538 6 
2 7OAP HIS EEE 209 ? UNP P0DTC2 ? ? 'expression tag' 539 7 
# 
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 
CIT non-polymer                  . 'CITRIC ACID'                            ? 'C6 H8 O7'       192.124 
CL  non-polymer                  . 'CHLORIDE ION'                           ? 'Cl -1'          35.453  
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 
PHE 'L-peptide linking'          y PHENYLALANINE                            ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking'          y PROLINE                                  ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking'          y SERINE                                   ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking'          y THREONINE                                ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking'          y TRYPTOPHAN                               ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking'          y TYROSINE                                 ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking'          y VALINE                                   ? 'C5 H11 N O2'    117.146 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   7OAP 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                      ? 
_exptl_crystal.density_diffrn              ? 
_exptl_crystal.density_Matthews            2.94 
_exptl_crystal.density_method              ? 
_exptl_crystal.density_percent_sol         58.18 
_exptl_crystal.description                 ? 
_exptl_crystal.F_000                       ? 
_exptl_crystal.id                          1 
_exptl_crystal.preparation                 ? 
_exptl_crystal.size_max                    ? 
_exptl_crystal.size_mid                    ? 
_exptl_crystal.size_min                    ? 
_exptl_crystal.size_rad                    ? 
_exptl_crystal.colour_lustre               ? 
_exptl_crystal.colour_modifier             ? 
_exptl_crystal.colour_primary              ? 
_exptl_crystal.density_meas                ? 
_exptl_crystal.density_meas_esd            ? 
_exptl_crystal.density_meas_gt             ? 
_exptl_crystal.density_meas_lt             ? 
_exptl_crystal.density_meas_temp           ? 
_exptl_crystal.density_meas_temp_esd       ? 
_exptl_crystal.density_meas_temp_gt        ? 
_exptl_crystal.density_meas_temp_lt        ? 
_exptl_crystal.pdbx_crystal_image_url      ? 
_exptl_crystal.pdbx_crystal_image_format   ? 
_exptl_crystal.pdbx_mosaicity              ? 
_exptl_crystal.pdbx_mosaicity_esd          ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '1.0 M Lithium chloride, 0.1 M Citrate pH 4, 20 % Peg 6000' 
_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 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2020-09-16 
_diffrn_detector.pdbx_frequency               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9762 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'DIAMOND BEAMLINE I03' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9762 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I03 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       7OAP 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.9 
_reflns.d_resolution_low                               62.254 
_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                                     50645 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                25.4 
_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                          14.4 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                0.025 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.99 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.9 
_reflns_shell.d_res_low                                     1.95 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.7 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             3478 
_reflns_shell.percent_possible_all                          100 
_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                               22.1 
_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                                  0.94 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            0.759 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            0.759 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            -1.518 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               44.250 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.967 
_refine.correlation_coeff_Fo_to_Fc_free          0.958 
_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                                 7OAP 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.901 
_refine.ls_d_res_low                             62.254 
_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                     50645 
_refine.ls_number_reflns_R_free                  2656 
_refine.ls_number_reflns_R_work                  47989 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.923 
_refine.ls_percent_reflns_R_free                 5.244 
_refine.ls_R_factor_all                          0.182 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2040 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1802 
_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                      6ZBP 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.119 
_refine.pdbx_overall_ESU_R_Free                  0.111 
_refine.pdbx_solvent_vdw_probe_radii             1.000 
_refine.pdbx_solvent_ion_probe_radii             0.700 
_refine.pdbx_solvent_shrinkage_radii             0.700 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             6.988 
_refine.overall_SU_ML                            0.099 
_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        3509 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         28 
_refine_hist.number_atoms_solvent             235 
_refine_hist.number_atoms_total               3772 
_refine_hist.d_res_high                       1.901 
_refine_hist.d_res_low                        62.254 
# 
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' ? 0.010  0.013  3667 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.018  3267 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.528  1.655  4999 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.342  1.583  7513 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.375  5.000  459  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 28.989 21.684 196  ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.460 15.000 552  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.764 15.000 24   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.068  0.200  464  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.008  0.020  4275 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.020  947  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.192  0.200  542  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.175  0.200  2941 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.175  0.200  1763 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.077  0.200  1828 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.146  0.200  192  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.040  0.200  1    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.235  0.200  16   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.220  0.200  36   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.135  0.200  18   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.040  2.033  1803 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.036  2.031  1802 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.937  3.033  2252 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.938  3.035  2253 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.370  2.399  1864 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.194  2.390  1861 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.978  3.469  2740 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.977  3.473  2741 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 7.253  24.123 3963 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 7.254  24.146 3964 ? r_lrange_other                 ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
'X-RAY DIFFRACTION' 1.901 1.950  3671 . 181 3478 99.6731  . 0.328 . 0.307 . 0.329 . . . . . 0.324 . 20 . 0.591 0.598 
'X-RAY DIFFRACTION' 1.950 2.004  3604 . 174 3429 99.9723  . 0.281 . 0.270 . 0.281 . . . . . 0.273 . 20 . 0.795 0.771 
'X-RAY DIFFRACTION' 2.004 2.062  3490 . 165 3323 99.9427  . 0.234 . 0.215 . 0.235 . . . . . 0.225 . 20 . 0.868 0.876 
'X-RAY DIFFRACTION' 2.062 2.125  3403 . 175 3225 99.9118  . 0.216 . 0.225 . 0.215 . . . . . 0.201 . 20 . 0.897 0.892 
'X-RAY DIFFRACTION' 2.125 2.195  3294 . 176 3113 99.8482  . 0.209 . 0.221 . 0.208 . . . . . 0.186 . 20 . 0.907 0.909 
'X-RAY DIFFRACTION' 2.195 2.272  3197 . 165 3029 99.9062  . 0.188 . 0.231 . 0.186 . . . . . 0.160 . 20 . 0.933 0.908 
'X-RAY DIFFRACTION' 2.272 2.357  3090 . 171 2916 99.9029  . 0.178 . 0.218 . 0.176 . . . . . 0.151 . 20 . 0.940 0.930 
'X-RAY DIFFRACTION' 2.357 2.453  2993 . 137 2854 99.9332  . 0.179 . 0.243 . 0.176 . . . . . 0.146 . 20 . 0.946 0.922 
'X-RAY DIFFRACTION' 2.453 2.562  2845 . 142 2702 99.9649  . 0.171 . 0.216 . 0.168 . . . . . 0.137 . 20 . 0.955 0.945 
'X-RAY DIFFRACTION' 2.562 2.687  2738 . 142 2596 100.0000 . 0.161 . 0.187 . 0.159 . . . . . 0.128 . 20 . 0.961 0.955 
'X-RAY DIFFRACTION' 2.687 2.832  2613 . 123 2488 99.9235  . 0.176 . 0.229 . 0.174 . . . . . 0.142 . 20 . 0.953 0.945 
'X-RAY DIFFRACTION' 2.832 3.004  2490 . 156 2332 99.9197  . 0.180 . 0.195 . 0.179 . . . . . 0.149 . 20 . 0.958 0.953 
'X-RAY DIFFRACTION' 3.004 3.210  2342 . 144 2198 100.0000 . 0.193 . 0.219 . 0.191 . . . . . 0.168 . 20 . 0.953 0.946 
'X-RAY DIFFRACTION' 3.210 3.467  2180 . 125 2055 100.0000 . 0.198 . 0.216 . 0.197 . . . . . 0.180 . 20 . 0.961 0.956 
'X-RAY DIFFRACTION' 3.467 3.797  2036 . 112 1924 100.0000 . 0.178 . 0.203 . 0.177 . . . . . 0.160 . 20 . 0.967 0.959 
'X-RAY DIFFRACTION' 3.797 4.243  1839 . 105 1734 100.0000 . 0.143 . 0.147 . 0.143 . . . . . 0.129 . 20 . 0.976 0.977 
'X-RAY DIFFRACTION' 4.243 4.895  1638 . 62  1576 100.0000 . 0.123 . 0.146 . 0.122 . . . . . 0.112 . 20 . 0.984 0.982 
'X-RAY DIFFRACTION' 4.895 5.986  1417 . 83  1334 100.0000 . 0.174 . 0.219 . 0.172 . . . . . 0.154 . 20 . 0.970 0.959 
'X-RAY DIFFRACTION' 5.986 8.427  1114 . 75  1039 100.0000 . 0.196 . 0.181 . 0.197 . . . . . 0.176 . 20 . 0.962 0.961 
'X-RAY DIFFRACTION' 8.427 62.254 687  . 43  643  99.8544  . 0.218 . 0.241 . 0.216 . . . . . 0.210 . 20 . 0.954 0.963 
# 
_struct.entry_id                     7OAP 
_struct.title                        'Nanobody H3 AND C1 bound to RBD' 
_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        7OAP 
_struct_keywords.text            'RBD, nanobody, high affinity, ANTIVIRAL PROTEIN' 
_struct_keywords.pdbx_keywords   'ANTIVIRAL 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 6 ? 
G N N 7 ? 
H N N 7 ? 
I N N 7 ? 
# 
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 ASP A 62  ? LYS A 65  ? ASP AAA 62  LYS AAA 65  5 ? 4 
HELX_P HELX_P2  AA2 LYS A 87  ? THR A 91  ? LYS AAA 87  THR AAA 91  5 ? 5 
HELX_P HELX_P3  AA3 TRP A 107 ? TYR A 111 ? TRP AAA 107 TYR AAA 111 5 ? 5 
HELX_P HELX_P4  AA4 PHE B 8   ? ASN B 13  ? PHE EEE 338 ASN EEE 343 1 ? 6 
HELX_P HELX_P5  AA5 SER B 19  ? TRP B 23  ? SER EEE 349 TRP EEE 353 5 ? 5 
HELX_P HELX_P6  AA6 ASP B 34  ? ASN B 40  ? ASP EEE 364 ASN EEE 370 1 ? 7 
HELX_P HELX_P7  AA7 SER B 53  ? ASN B 58  ? SER EEE 383 ASN EEE 388 1 ? 6 
HELX_P HELX_P8  AA8 ASP B 75  ? ILE B 80  ? ASP EEE 405 ILE EEE 410 5 ? 6 
HELX_P HELX_P9  AA9 GLY B 86  ? ASN B 92  ? GLY EEE 416 ASN EEE 422 1 ? 7 
HELX_P HELX_P10 AB1 SER B 108 ? SER B 113 ? SER EEE 438 SER EEE 443 1 ? 6 
HELX_P HELX_P11 AB2 GLY B 172 ? TYR B 175 ? GLY EEE 502 TYR EEE 505 5 ? 4 
HELX_P HELX_P12 AB3 ARG C 29  ? TYR C 34  ? ARG FFF 27  TYR FFF 32  1 ? 6 
HELX_P HELX_P13 AB4 LYS C 89  ? THR C 93  ? LYS FFF 87  THR FFF 91  5 ? 5 
HELX_P HELX_P14 AB5 TYR C 107 ? TYR C 111 ? TYR FFF 105 TYR FFF 109 5 ? 5 
HELX_P HELX_P15 AB6 THR C 112 ? PHE C 116 ? THR FFF 110 PHE FFF 114 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 22  SG  ? ? ? 1_555 A CYS 96  SG ? ? AAA CYS 22  AAA CYS 96  1_555 ? ? ? ? ? ? ? 2.134 ? ? 
disulf2 disulf ?   ? B CYS 6   SG  ? ? ? 1_555 B CYS 31  SG ? ? EEE CYS 336 EEE CYS 361 1_555 ? ? ? ? ? ? ? 2.073 ? ? 
disulf3 disulf ?   ? B CYS 49  SG  ? ? ? 1_555 B CYS 102 SG ? ? EEE CYS 379 EEE CYS 432 1_555 ? ? ? ? ? ? ? 2.197 ? ? 
disulf4 disulf ?   ? B CYS 61  SG  ? ? ? 1_555 B CYS 195 SG ? ? EEE CYS 391 EEE CYS 525 1_555 ? ? ? ? ? ? ? 2.137 ? ? 
disulf5 disulf ?   ? B CYS 150 SG  ? ? ? 1_555 B CYS 158 SG ? ? EEE CYS 480 EEE CYS 488 1_555 ? ? ? ? ? ? ? 2.124 ? ? 
disulf6 disulf ?   ? C CYS 24  SG  ? ? ? 1_555 C CYS 98  SG ? ? FFF CYS 22  FFF CYS 96  1_555 ? ? ? ? ? ? ? 2.196 ? ? 
covale1 covale one ? B ASN 13  ND2 ? ? ? 1_555 D NAG .   C1 ? ? EEE ASN 343 EEE NAG 601 1_555 ? ? ? ? ? ? ? 1.447 ? 
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 ? 4 ? 
AA2 ? 6 ? 
AA3 ? 4 ? 
AA4 ? 6 ? 
AA5 ? 3 ? 
AA6 ? 2 ? 
AA7 ? 2 ? 
AA8 ? 4 ? 
AA9 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA2 1 2 ? parallel      
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? parallel      
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA4 4 5 ? anti-parallel 
AA4 5 6 ? anti-parallel 
AA5 1 2 ? parallel      
AA5 2 3 ? anti-parallel 
AA6 1 2 ? anti-parallel 
AA7 1 2 ? anti-parallel 
AA8 1 2 ? anti-parallel 
AA8 2 3 ? anti-parallel 
AA8 3 4 ? anti-parallel 
AA9 1 2 ? parallel      
AA9 2 3 ? anti-parallel 
AA9 3 4 ? anti-parallel 
AA9 4 5 ? anti-parallel 
AA9 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 4   ? SER A 7   ? LEU AAA 4   SER AAA 7   
AA1 2 LEU A 18  ? ALA A 24  ? LEU AAA 18  ALA AAA 24  
AA1 3 THR A 78  ? MET A 83  ? THR AAA 78  MET AAA 83  
AA1 4 PHE A 68  ? HIS A 73  ? PHE AAA 68  HIS AAA 73  
AA2 1 GLY A 10  ? VAL A 12  ? GLY AAA 10  VAL AAA 12  
AA2 2 THR A 118 ? VAL A 122 ? THR AAA 118 VAL AAA 122 
AA2 3 ALA A 92  ? GLY A 99  ? ALA AAA 92  GLY AAA 99  
AA2 4 SER A 33  ? GLN A 39  ? SER AAA 33  GLN AAA 39  
AA2 5 GLU A 46  ? SER A 52  ? GLU AAA 46  SER AAA 52  
AA2 6 THR A 57  ? TYR A 60  ? THR AAA 57  TYR AAA 60  
AA3 1 GLY A 10  ? VAL A 12  ? GLY AAA 10  VAL AAA 12  
AA3 2 THR A 118 ? VAL A 122 ? THR AAA 118 VAL AAA 122 
AA3 3 ALA A 92  ? GLY A 99  ? ALA AAA 92  GLY AAA 99  
AA3 4 TYR A 113 ? TRP A 114 ? TYR AAA 113 TRP AAA 114 
AA4 1 ALA A 102 ? ASP A 105 ? ALA AAA 102 ASP AAA 105 
AA4 2 THR B 46  ? TYR B 50  ? THR EEE 376 TYR EEE 380 
AA4 3 GLY B 101 ? ASN B 107 ? GLY EEE 431 ASN EEE 437 
AA4 4 PRO B 177 ? GLU B 186 ? PRO EEE 507 GLU EEE 516 
AA4 5 ASN B 64  ? ARG B 73  ? ASN EEE 394 ARG EEE 403 
AA4 6 ASN B 24  ? ILE B 28  ? ASN EEE 354 ILE EEE 358 
AA5 1 CYS B 31  ? VAL B 32  ? CYS EEE 361 VAL EEE 362 
AA5 2 VAL B 194 ? CYS B 195 ? VAL EEE 524 CYS EEE 525 
AA5 3 CYS B 61  ? PHE B 62  ? CYS EEE 391 PHE EEE 392 
AA6 1 LEU B 122 ? ARG B 124 ? LEU EEE 452 ARG EEE 454 
AA6 2 LEU B 162 ? SER B 164 ? LEU EEE 492 SER EEE 494 
AA7 1 TYR B 143 ? GLN B 144 ? TYR EEE 473 GLN EEE 474 
AA7 2 CYS B 158 ? TYR B 159 ? CYS EEE 488 TYR EEE 489 
AA8 1 VAL C 7   ? SER C 9   ? VAL FFF 5   SER FFF 7   
AA8 2 LEU C 20  ? ALA C 25  ? LEU FFF 18  ALA FFF 23  
AA8 3 THR C 80  ? MET C 85  ? THR FFF 78  MET FFF 83  
AA8 4 PHE C 70  ? ARG C 74  ? PHE FFF 68  ARG FFF 72  
AA9 1 GLY C 12  ? LYS C 15  ? GLY FFF 10  LYS FFF 13  
AA9 2 THR C 123 ? SER C 128 ? THR FFF 121 SER FFF 126 
AA9 3 ALA C 94  ? THR C 101 ? ALA FFF 92  THR FFF 99  
AA9 4 SER C 35  ? GLN C 41  ? SER FFF 33  GLN FFF 39  
AA9 5 GLU C 48  ? MET C 53  ? GLU FFF 46  MET FFF 51  
AA9 6 THR C 60  ? TYR C 62  ? THR FFF 58  TYR FFF 60  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N VAL A 5   ? N VAL AAA 5   O ALA A 23  ? O ALA AAA 23  
AA1 2 3 N LEU A 18  ? N LEU AAA 18  O MET A 83  ? O MET AAA 83  
AA1 3 4 O GLN A 82  ? O GLN AAA 82  N THR A 69  ? N THR AAA 69  
AA2 1 2 N GLY A 10  ? N GLY AAA 10  O THR A 121 ? O THR AAA 121 
AA2 2 3 O THR A 118 ? O THR AAA 118 N TYR A 94  ? N TYR AAA 94  
AA2 3 4 O TYR A 95  ? O TYR AAA 95  N PHE A 37  ? N PHE AAA 37  
AA2 4 5 N TRP A 36  ? N TRP AAA 36  O SER A 49  ? O SER AAA 49  
AA2 5 6 N TRP A 50  ? N TRP AAA 50  O THR A 59  ? O THR AAA 59  
AA3 1 2 N GLY A 10  ? N GLY AAA 10  O THR A 121 ? O THR AAA 121 
AA3 2 3 O THR A 118 ? O THR AAA 118 N TYR A 94  ? N TYR AAA 94  
AA3 3 4 N ALA A 98  ? N ALA AAA 98  O TYR A 113 ? O TYR AAA 113 
AA4 1 2 N ALA A 102 ? N ALA AAA 102 O CYS B 49  ? O CYS EEE 379 
AA4 2 3 N LYS B 48  ? N LYS EEE 378 O VAL B 103 ? O VAL EEE 433 
AA4 3 4 N ILE B 104 ? N ILE EEE 434 O VAL B 181 ? O VAL EEE 511 
AA4 4 5 O VAL B 182 ? O VAL EEE 512 N ASP B 68  ? N ASP EEE 398 
AA4 5 6 O VAL B 65  ? O VAL EEE 395 N ILE B 28  ? N ILE EEE 358 
AA5 1 2 N CYS B 31  ? N CYS EEE 361 O CYS B 195 ? O CYS EEE 525 
AA5 2 3 O VAL B 194 ? O VAL EEE 524 N PHE B 62  ? N PHE EEE 392 
AA6 1 2 N TYR B 123 ? N TYR EEE 453 O GLN B 163 ? O GLN EEE 493 
AA7 1 2 N TYR B 143 ? N TYR EEE 473 O TYR B 159 ? O TYR EEE 489 
AA8 1 2 N VAL C 7   ? N VAL FFF 5   O ALA C 25  ? O ALA FFF 23  
AA8 2 3 N LEU C 20  ? N LEU FFF 18  O MET C 85  ? O MET FFF 83  
AA8 3 4 O TYR C 82  ? O TYR FFF 80  N SER C 73  ? N SER FFF 71  
AA9 1 2 N GLY C 12  ? N GLY FFF 10  O THR C 126 ? O THR FFF 124 
AA9 2 3 O THR C 123 ? O THR FFF 121 N TYR C 96  ? N TYR FFF 94  
AA9 3 4 O TYR C 97  ? O TYR FFF 95  N PHE C 39  ? N PHE FFF 37  
AA9 4 5 N TRP C 38  ? N TRP FFF 36  O ALA C 51  ? O ALA FFF 49  
AA9 5 6 N GLY C 52  ? N GLY FFF 50  O PHE C 61  ? O PHE FFF 59  
# 
_atom_sites.entry_id                    7OAP 
_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]   0.009462 
_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]   0.009462 
_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]   0.008886 
_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   
CL 11.460 0.010  7.196 1.166  6.255 18.519 1.645 47.778 -9.345  
H  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S  6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.049   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
_atom_site.pdbx_tls_group_id 
ATOM   1    N  N   . GLN A 1 1   ? 33.710  -25.368 8.403   1.000 97.843  0 1   GLN AAA N   1 ? 1  
ATOM   2    C  CA  . GLN A 1 1   ? 34.292  -24.020 8.108   1.000 97.593  0 1   GLN AAA CA  1 ? 1  
ATOM   3    C  C   . GLN A 1 1   ? 33.236  -22.936 8.374   1.000 93.341  0 1   GLN AAA C   1 ? 1  
ATOM   4    O  O   . GLN A 1 1   ? 33.367  -22.246 9.413   1.000 98.614  0 1   GLN AAA O   1 ? 1  
ATOM   5    C  CB  . GLN A 1 1   ? 34.837  -23.969 6.680   1.000 99.155  0 1   GLN AAA CB  1 ? 1  
ATOM   6    C  CG  . GLN A 1 1   ? 36.049  -24.866 6.463   1.000 103.571 0 1   GLN AAA CG  1 ? 1  
ATOM   7    C  CD  . GLN A 1 1   ? 36.334  -25.112 5.000   1.000 104.622 0 1   GLN AAA CD  1 ? 1  
ATOM   8    O  OE1 . GLN A 1 1   ? 35.445  -25.439 4.212   1.000 103.213 0 1   GLN AAA OE1 1 ? 1  
ATOM   9    N  NE2 . GLN A 1 1   ? 37.594  -24.966 4.625   1.000 105.799 0 1   GLN AAA NE2 1 ? 1  
ATOM   10   N  N   . VAL A 1 2   ? 32.230  -22.777 7.502   1.000 85.337  0 2   VAL AAA N   1 ? 1  
ATOM   11   C  CA  . VAL A 1 2   ? 31.125  -21.795 7.732   1.000 79.996  0 2   VAL AAA CA  1 ? 1  
ATOM   12   C  C   . VAL A 1 2   ? 30.292  -22.297 8.908   1.000 76.981  0 2   VAL AAA C   1 ? 1  
ATOM   13   O  O   . VAL A 1 2   ? 29.972  -23.497 8.936   1.000 77.689  0 2   VAL AAA O   1 ? 1  
ATOM   14   C  CB  . VAL A 1 2   ? 30.215  -21.572 6.511   1.000 78.744  0 2   VAL AAA CB  1 ? 1  
ATOM   15   C  CG1 . VAL A 1 2   ? 29.046  -20.656 6.854   1.000 74.591  0 2   VAL AAA CG1 1 ? 1  
ATOM   16   C  CG2 . VAL A 1 2   ? 30.986  -21.032 5.318   1.000 81.259  0 2   VAL AAA CG2 1 ? 1  
ATOM   17   N  N   . GLN A 1 3   ? 29.945  -21.394 9.821   1.000 74.912  0 3   GLN AAA N   1 ? 1  
ATOM   18   C  CA  . GLN A 1 3   ? 29.160  -21.697 11.044  1.000 73.933  0 3   GLN AAA CA  1 ? 1  
ATOM   19   C  C   . GLN A 1 3   ? 28.246  -20.510 11.353  1.000 69.989  0 3   GLN AAA C   1 ? 1  
ATOM   20   O  O   . GLN A 1 3   ? 28.684  -19.353 11.187  1.000 69.839  0 3   GLN AAA O   1 ? 1  
ATOM   21   C  CB  . GLN A 1 3   ? 30.123  -21.983 12.193  1.000 78.595  0 3   GLN AAA CB  1 ? 1  
ATOM   22   C  CG  . GLN A 1 3   ? 29.501  -22.732 13.359  1.000 80.768  0 3   GLN AAA CG  1 ? 1  
ATOM   23   C  CD  . GLN A 1 3   ? 30.527  -22.949 14.444  1.000 86.090  0 3   GLN AAA CD  1 ? 1  
ATOM   24   O  OE1 . GLN A 1 3   ? 31.733  -22.866 14.210  1.000 89.334  0 3   GLN AAA OE1 1 ? 1  
ATOM   25   N  NE2 . GLN A 1 3   ? 30.055  -23.221 15.650  1.000 88.549  0 3   GLN AAA NE2 1 ? 1  
ATOM   26   N  N   . LEU A 1 4   ? 27.019  -20.793 11.775  1.000 67.221  0 4   LEU AAA N   1 ? 1  
ATOM   27   C  CA  . LEU A 1 4   ? 26.045  -19.767 12.218  1.000 65.800  0 4   LEU AAA CA  1 ? 1  
ATOM   28   C  C   . LEU A 1 4   ? 25.729  -20.025 13.688  1.000 67.623  0 4   LEU AAA C   1 ? 1  
ATOM   29   O  O   . LEU A 1 4   ? 25.290  -21.143 14.009  1.000 67.922  0 4   LEU AAA O   1 ? 1  
ATOM   30   C  CB  . LEU A 1 4   ? 24.766  -19.860 11.377  1.000 64.700  0 4   LEU AAA CB  1 ? 1  
ATOM   31   C  CG  . LEU A 1 4   ? 24.945  -19.700 9.874   1.000 63.270  0 4   LEU AAA CG  1 ? 1  
ATOM   32   C  CD1 . LEU A 1 4   ? 23.600  -19.816 9.171   1.000 63.149  0 4   LEU AAA CD1 1 ? 1  
ATOM   33   C  CD2 . LEU A 1 4   ? 25.617  -18.375 9.557   1.000 63.823  0 4   LEU AAA CD2 1 ? 1  
ATOM   34   N  N   . VAL A 1 5   ? 25.940  -19.025 14.537  1.000 69.041  0 5   VAL AAA N   1 ? 1  
ATOM   35   C  CA  . VAL A 1 5   ? 25.699  -19.144 16.001  1.000 71.464  0 5   VAL AAA CA  1 ? 1  
ATOM   36   C  C   . VAL A 1 5   ? 24.460  -18.310 16.323  1.000 69.521  0 5   VAL AAA C   1 ? 1  
ATOM   37   O  O   . VAL A 1 5   ? 24.492  -17.069 16.141  1.000 67.484  0 5   VAL AAA O   1 ? 1  
ATOM   38   C  CB  . VAL A 1 5   ? 26.933  -18.741 16.827  1.000 74.093  0 5   VAL AAA CB  1 ? 1  
ATOM   39   C  CG1 . VAL A 1 5   ? 26.595  -18.603 18.304  1.000 76.959  0 5   VAL AAA CG1 1 ? 1  
ATOM   40   C  CG2 . VAL A 1 5   ? 28.084  -19.719 16.618  1.000 76.252  0 5   VAL AAA CG2 1 ? 1  
ATOM   41   N  N   . GLU A 1 6   ? 23.409  -19.001 16.759  1.000 69.602  0 6   GLU AAA N   1 ? 1  
ATOM   42   C  CA  . GLU A 1 6   ? 22.089  -18.419 17.089  1.000 70.579  0 6   GLU AAA CA  1 ? 1  
ATOM   43   C  C   . GLU A 1 6   ? 22.007  -18.227 18.604  1.000 73.397  0 6   GLU AAA C   1 ? 1  
ATOM   44   O  O   . GLU A 1 6   ? 22.619  -19.041 19.304  1.000 76.008  0 6   GLU AAA O   1 ? 1  
ATOM   45   C  CB  . GLU A 1 6   ? 20.996  -19.363 16.596  1.000 71.046  0 6   GLU AAA CB  1 ? 1  
ATOM   46   C  CG  . GLU A 1 6   ? 19.881  -18.640 15.894  1.000 71.123  0 6   GLU AAA CG  1 ? 1  
ATOM   47   C  CD  . GLU A 1 6   ? 18.775  -19.569 15.452  1.000 70.807  0 6   GLU AAA CD  1 ? 1  
ATOM   48   O  OE1 . GLU A 1 6   ? 19.083  -20.535 14.712  1.000 68.223  0 6   GLU AAA OE1 1 ? 1  
ATOM   49   O  OE2 . GLU A 1 6   ? 17.621  -19.333 15.877  1.000 73.108  0 6   GLU AAA OE2 1 ? 1  
ATOM   50   N  N   . SER A 1 7   ? 21.292  -17.192 19.062  1.000 72.833  0 7   SER AAA N   1 ? 1  
ATOM   51   C  CA  . SER A 1 7   ? 20.909  -16.963 20.480  1.000 77.341  0 7   SER AAA CA  1 ? 1  
ATOM   52   C  C   . SER A 1 7   ? 19.764  -15.947 20.557  1.000 76.356  0 7   SER AAA C   1 ? 1  
ATOM   53   O  O   . SER A 1 7   ? 19.392  -15.390 19.500  1.000 70.187  0 7   SER AAA O   1 ? 1  
ATOM   54   C  CB  . SER A 1 7   ? 22.085  -16.497 21.288  1.000 82.738  0 7   SER AAA CB  1 ? 1  
ATOM   55   O  OG  . SER A 1 7   ? 22.569  -15.258 20.790  1.000 88.289  0 7   SER AAA OG  1 ? 1  
ATOM   56   N  N   . GLY A 1 8   ? 19.223  -15.741 21.765  1.000 76.751  0 8   GLY AAA N   1 ? 1  
ATOM   57   C  CA  . GLY A 1 8   ? 18.361  -14.589 22.121  1.000 78.952  0 8   GLY AAA CA  1 ? 1  
ATOM   58   C  C   . GLY A 1 8   ? 16.908  -14.968 22.457  1.000 77.290  0 8   GLY AAA C   1 ? 1  
ATOM   59   O  O   . GLY A 1 8   ? 16.116  -14.037 22.843  1.000 84.125  0 8   GLY AAA O   1 ? 1  
ATOM   60   N  N   . GLY A 1 9   ? 16.574  -16.273 22.329  1.000 72.935  0 9   GLY AAA N   1 ? 1  
ATOM   61   C  CA  . GLY A 1 9   ? 15.193  -16.782 22.487  1.000 71.790  0 9   GLY AAA CA  1 ? 1  
ATOM   62   C  C   . GLY A 1 9   ? 14.732  -16.720 23.939  1.000 73.495  0 9   GLY AAA C   1 ? 1  
ATOM   63   O  O   . GLY A 1 9   ? 15.573  -16.465 24.819  1.000 72.882  0 9   GLY AAA O   1 ? 1  
ATOM   64   N  N   . GLY A 1 10  ? 13.438  -16.944 24.181  1.000 72.550  0 10  GLY AAA N   1 ? 1  
ATOM   65   C  CA  . GLY A 1 10  ? 12.894  -17.100 25.540  1.000 75.761  0 10  GLY AAA CA  1 ? 1  
ATOM   66   C  C   . GLY A 1 10  ? 11.376  -17.084 25.576  1.000 74.726  0 10  GLY AAA C   1 ? 1  
ATOM   67   O  O   . GLY A 1 10  ? 10.734  -17.211 24.498  1.000 69.433  0 10  GLY AAA O   1 ? 1  
ATOM   68   N  N   . LEU A 1 11  ? 10.844  -16.950 26.797  1.000 74.839  0 11  LEU AAA N   1 ? 1  
ATOM   69   C  CA  A LEU A 1 11  ? 9.392   -16.804 27.091  0.600 74.366  0 11  LEU AAA CA  1 ? 1  
ATOM   70   C  CA  B LEU A 1 11  ? 9.396   -16.808 27.100  0.400 75.642  0 11  LEU AAA CA  1 ? 1  
ATOM   71   C  C   . LEU A 1 11  ? 9.089   -15.310 27.255  1.000 75.261  0 11  LEU AAA C   1 ? 1  
ATOM   72   O  O   . LEU A 1 11  ? 9.825   -14.638 28.020  1.000 78.875  0 11  LEU AAA O   1 ? 1  
ATOM   73   C  CB  A LEU A 1 11  ? 9.045   -17.587 28.367  0.600 76.667  0 11  LEU AAA CB  1 ? 1  
ATOM   74   C  CB  B LEU A 1 11  ? 9.077   -17.586 28.385  0.400 79.348  0 11  LEU AAA CB  1 ? 1  
ATOM   75   C  CG  A LEU A 1 11  ? 7.598   -17.469 28.854  0.600 76.480  0 11  LEU AAA CG  1 ? 1  
ATOM   76   C  CG  B LEU A 1 11  ? 9.811   -18.918 28.576  0.400 81.264  0 11  LEU AAA CG  1 ? 1  
ATOM   77   C  CD1 A LEU A 1 11  ? 6.663   -18.284 27.975  0.600 74.634  0 11  LEU AAA CD1 1 ? 1  
ATOM   78   C  CD1 B LEU A 1 11  ? 9.621   -19.448 29.991  0.400 86.243  0 11  LEU AAA CD1 1 ? 1  
ATOM   79   C  CD2 A LEU A 1 11  ? 7.467   -17.898 30.309  0.600 79.843  0 11  LEU AAA CD2 1 ? 1  
ATOM   80   C  CD2 B LEU A 1 11  ? 9.354   -19.947 27.554  0.400 80.061  0 11  LEU AAA CD2 1 ? 1  
ATOM   81   N  N   . VAL A 1 12  ? 8.054   -14.816 26.572  1.000 74.132  0 12  VAL AAA N   1 ? 1  
ATOM   82   C  CA  . VAL A 1 12  ? 7.595   -13.394 26.657  1.000 76.906  0 12  VAL AAA CA  1 ? 1  
ATOM   83   C  C   . VAL A 1 12  ? 6.064   -13.405 26.709  1.000 78.689  0 12  VAL AAA C   1 ? 1  
ATOM   84   O  O   . VAL A 1 12  ? 5.469   -14.386 26.194  1.000 79.775  0 12  VAL AAA O   1 ? 1  
ATOM   85   C  CB  . VAL A 1 12  ? 8.122   -12.556 25.470  1.000 76.972  0 12  VAL AAA CB  1 ? 1  
ATOM   86   C  CG1 . VAL A 1 12  ? 7.270   -12.720 24.221  1.000 75.277  0 12  VAL AAA CG1 1 ? 1  
ATOM   87   C  CG2 . VAL A 1 12  ? 8.253   -11.084 25.817  1.000 79.273  0 12  VAL AAA CG2 1 ? 1  
ATOM   88   N  N   . GLN A 1 13  ? 5.452   -12.373 27.299  1.000 79.555  0 13  GLN AAA N   1 ? 1  
ATOM   89   C  CA  . GLN A 1 13  ? 3.974   -12.197 27.291  1.000 81.786  0 13  GLN AAA CA  1 ? 1  
ATOM   90   C  C   . GLN A 1 13  ? 3.550   -11.680 25.918  1.000 78.053  0 13  GLN AAA C   1 ? 1  
ATOM   91   O  O   . GLN A 1 13  ? 4.354   -11.069 25.216  1.000 74.767  0 13  GLN AAA O   1 ? 1  
ATOM   92   C  CB  . GLN A 1 13  ? 3.502   -11.203 28.353  1.000 86.800  0 13  GLN AAA CB  1 ? 1  
ATOM   93   C  CG  . GLN A 1 13  ? 4.020   -11.474 29.755  1.000 90.504  0 13  GLN AAA CG  1 ? 1  
ATOM   94   C  CD  . GLN A 1 13  ? 3.565   -10.358 30.660  1.000 98.146  0 13  GLN AAA CD  1 ? 1  
ATOM   95   O  OE1 . GLN A 1 13  ? 2.380   -10.230 30.950  1.000 104.861 0 13  GLN AAA OE1 1 ? 1  
ATOM   96   N  NE2 . GLN A 1 13  ? 4.497   -9.522  31.088  1.000 101.496 0 13  GLN AAA NE2 1 ? 1  
ATOM   97   N  N   . PRO A 1 14  ? 2.265   -11.850 25.530  1.000 77.601  0 14  PRO AAA N   1 ? 1  
ATOM   98   C  CA  . PRO A 1 14  ? 1.746   -11.243 24.304  1.000 78.548  0 14  PRO AAA CA  1 ? 1  
ATOM   99   C  C   . PRO A 1 14  ? 1.874   -9.716  24.407  1.000 79.217  0 14  PRO AAA C   1 ? 1  
ATOM   100  O  O   . PRO A 1 14  ? 1.467   -9.171  25.410  1.000 81.311  0 14  PRO AAA O   1 ? 1  
ATOM   101  C  CB  . PRO A 1 14  ? 0.275   -11.693 24.225  1.000 80.580  0 14  PRO AAA CB  1 ? 1  
ATOM   102  C  CG  . PRO A 1 14  ? 0.163   -12.847 25.221  1.000 80.522  0 14  PRO AAA CG  1 ? 1  
ATOM   103  C  CD  . PRO A 1 14  ? 1.234   -12.595 26.264  1.000 80.458  0 14  PRO AAA CD  1 ? 1  
ATOM   104  N  N   . GLY A 1 15  ? 2.477   -9.083  23.399  1.000 77.455  0 15  GLY AAA N   1 ? 1  
ATOM   105  C  CA  . GLY A 1 15  ? 2.799   -7.642  23.388  1.000 79.208  0 15  GLY AAA CA  1 ? 1  
ATOM   106  C  C   . GLY A 1 15  ? 4.284   -7.377  23.601  1.000 78.588  0 15  GLY AAA C   1 ? 1  
ATOM   107  O  O   . GLY A 1 15  ? 4.747   -6.291  23.195  1.000 82.117  0 15  GLY AAA O   1 ? 1  
ATOM   108  N  N   . GLY A 1 16  ? 5.021   -8.339  24.171  1.000 76.655  0 16  GLY AAA N   1 ? 1  
ATOM   109  C  CA  . GLY A 1 16  ? 6.457   -8.213  24.497  1.000 77.506  0 16  GLY AAA CA  1 ? 1  
ATOM   110  C  C   . GLY A 1 16  ? 7.374   -8.199  23.277  1.000 77.432  0 16  GLY AAA C   1 ? 1  
ATOM   111  O  O   . GLY A 1 16  ? 6.880   -8.380  22.132  1.000 75.018  0 16  GLY AAA O   1 ? 1  
ATOM   112  N  N   . SER A 1 17  ? 8.676   -7.981  23.520  1.000 78.148  0 17  SER AAA N   1 ? 1  
ATOM   113  C  CA  A SER A 1 17  ? 9.725   -7.895  22.469  0.600 76.393  0 17  SER AAA CA  1 ? 1  
ATOM   114  C  CA  B SER A 1 17  ? 9.746   -7.867  22.491  0.400 76.364  0 17  SER AAA CA  1 ? 1  
ATOM   115  C  C   . SER A 1 17  ? 10.830  -8.922  22.750  1.000 75.044  0 17  SER AAA C   1 ? 1  
ATOM   116  O  O   . SER A 1 17  ? 10.896  -9.427  23.881  1.000 71.764  0 17  SER AAA O   1 ? 1  
ATOM   117  C  CB  A SER A 1 17  ? 10.269  -6.492  22.348  0.600 78.732  0 17  SER AAA CB  1 ? 1  
ATOM   118  C  CB  B SER A 1 17  ? 10.324  -6.471  22.472  0.400 78.906  0 17  SER AAA CB  1 ? 1  
ATOM   119  O  OG  A SER A 1 17  ? 11.238  -6.223  23.349  0.600 80.905  0 17  SER AAA OG  1 ? 1  
ATOM   120  O  OG  B SER A 1 17  ? 11.725  -6.493  22.226  0.400 78.367  0 17  SER AAA OG  1 ? 1  
ATOM   121  N  N   . LEU A 1 18  ? 11.634  -9.227  21.727  1.000 74.870  0 18  LEU AAA N   1 ? 1  
ATOM   122  C  CA  . LEU A 1 18  ? 12.743  -10.225 21.770  1.000 74.919  0 18  LEU AAA CA  1 ? 1  
ATOM   123  C  C   . LEU A 1 18  ? 13.737  -9.900  20.642  1.000 72.972  0 18  LEU AAA C   1 ? 1  
ATOM   124  O  O   . LEU A 1 18  ? 13.289  -9.408  19.591  1.000 70.689  0 18  LEU AAA O   1 ? 1  
ATOM   125  C  CB  . LEU A 1 18  ? 12.130  -11.626 21.628  1.000 75.242  0 18  LEU AAA CB  1 ? 1  
ATOM   126  C  CG  . LEU A 1 18  ? 12.852  -12.793 22.311  1.000 78.072  0 18  LEU AAA CG  1 ? 1  
ATOM   127  C  CD1 . LEU A 1 18  ? 13.277  -12.451 23.734  1.000 79.030  0 18  LEU AAA CD1 1 ? 1  
ATOM   128  C  CD2 . LEU A 1 18  ? 11.960  -14.032 22.316  1.000 78.384  0 18  LEU AAA CD2 1 ? 1  
ATOM   129  N  N   . ARG A 1 19  ? 15.032  -10.124 20.867  1.000 72.382  0 19  ARG AAA N   1 ? 1  
ATOM   130  C  CA  . ARG A 1 19  ? 16.117  -9.807  19.902  1.000 73.610  0 19  ARG AAA CA  1 ? 1  
ATOM   131  C  C   . ARG A 1 19  ? 16.939  -11.074 19.675  1.000 70.403  0 19  ARG AAA C   1 ? 1  
ATOM   132  O  O   . ARG A 1 19  ? 17.741  -11.440 20.560  1.000 69.137  0 19  ARG AAA O   1 ? 1  
ATOM   133  C  CB  . ARG A 1 19  ? 16.993  -8.663  20.417  1.000 80.608  0 19  ARG AAA CB  1 ? 1  
ATOM   134  C  CG  . ARG A 1 19  ? 18.171  -8.313  19.521  1.000 84.320  0 19  ARG AAA CG  1 ? 1  
ATOM   135  C  CD  . ARG A 1 19  ? 19.121  -7.361  20.228  1.000 92.197  0 19  ARG AAA CD  1 ? 1  
ATOM   136  N  NE  . ARG A 1 19  ? 20.086  -6.746  19.331  1.000 96.998  0 19  ARG AAA NE  1 ? 1  
ATOM   137  C  CZ  . ARG A 1 19  ? 19.795  -5.824  18.411  1.000 101.410 0 19  ARG AAA CZ  1 ? 1  
ATOM   138  N  NH1 . ARG A 1 19  ? 18.548  -5.402  18.248  1.000 101.013 0 19  ARG AAA NH1 1 ? 1  
ATOM   139  N  NH2 . ARG A 1 19  ? 20.756  -5.332  17.644  1.000 102.270 0 19  ARG AAA NH2 1 ? 1  
ATOM   140  N  N   . LEU A 1 20  ? 16.709  -11.728 18.534  1.000 67.872  0 20  LEU AAA N   1 ? 1  
ATOM   141  C  CA  . LEU A 1 20  ? 17.465  -12.929 18.102  1.000 64.461  0 20  LEU AAA CA  1 ? 1  
ATOM   142  C  C   . LEU A 1 20  ? 18.714  -12.459 17.362  1.000 64.910  0 20  LEU AAA C   1 ? 1  
ATOM   143  O  O   . LEU A 1 20  ? 18.671  -11.385 16.716  1.000 65.272  0 20  LEU AAA O   1 ? 1  
ATOM   144  C  CB  . LEU A 1 20  ? 16.588  -13.824 17.221  1.000 63.001  0 20  LEU AAA CB  1 ? 1  
ATOM   145  C  CG  . LEU A 1 20  ? 15.184  -14.146 17.736  1.000 62.236  0 20  LEU AAA CG  1 ? 1  
ATOM   146  C  CD1 . LEU A 1 20  ? 14.537  -15.205 16.850  1.000 60.829  0 20  LEU AAA CD1 1 ? 1  
ATOM   147  C  CD2 . LEU A 1 20  ? 15.201  -14.607 19.193  1.000 64.610  0 20  LEU AAA CD2 1 ? 1  
ATOM   148  N  N   . SER A 1 21  ? 19.790  -13.229 17.482  1.000 65.217  0 21  SER AAA N   1 ? 1  
ATOM   149  C  CA  . SER A 1 21  ? 21.116  -12.905 16.907  1.000 66.670  0 21  SER AAA CA  1 ? 1  
ATOM   150  C  C   . SER A 1 21  ? 21.651  -14.133 16.165  1.000 64.273  0 21  SER AAA C   1 ? 1  
ATOM   151  O  O   . SER A 1 21  ? 21.536  -15.263 16.699  1.000 60.981  0 21  SER AAA O   1 ? 1  
ATOM   152  C  CB  . SER A 1 21  ? 22.067  -12.423 17.974  1.000 68.875  0 21  SER AAA CB  1 ? 1  
ATOM   153  O  OG  . SER A 1 21  ? 22.596  -13.517 18.712  1.000 72.120  0 21  SER AAA OG  1 ? 1  
ATOM   154  N  N   . CYS A 1 22  ? 22.183  -13.903 14.964  1.000 64.703  0 22  CYS AAA N   1 ? 1  
ATOM   155  C  CA  . CYS A 1 22  ? 22.841  -14.920 14.108  1.000 65.841  0 22  CYS AAA CA  1 ? 1  
ATOM   156  C  C   . CYS A 1 22  ? 24.261  -14.434 13.822  1.000 66.877  0 22  CYS AAA C   1 ? 1  
ATOM   157  O  O   . CYS A 1 22  ? 24.393  -13.401 13.139  1.000 65.280  0 22  CYS AAA O   1 ? 1  
ATOM   158  C  CB  . CYS A 1 22  ? 22.063  -15.113 12.808  1.000 68.898  0 22  CYS AAA CB  1 ? 1  
ATOM   159  S  SG  . CYS A 1 22  ? 22.698  -16.459 11.773  1.000 72.116  0 22  CYS AAA SG  1 ? 1  
ATOM   160  N  N   . ALA A 1 23  ? 25.272  -15.119 14.360  1.000 68.764  0 23  ALA AAA N   1 ? 1  
ATOM   161  C  CA  . ALA A 1 23  ? 26.697  -14.758 14.200  1.000 71.994  0 23  ALA AAA CA  1 ? 1  
ATOM   162  C  C   . ALA A 1 23  ? 27.312  -15.688 13.152  1.000 71.925  0 23  ALA AAA C   1 ? 1  
ATOM   163  O  O   . ALA A 1 23  ? 27.408  -16.895 13.423  1.000 75.351  0 23  ALA AAA O   1 ? 1  
ATOM   164  C  CB  . ALA A 1 23  ? 27.409  -14.828 15.532  1.000 73.939  0 23  ALA AAA CB  1 ? 1  
ATOM   165  N  N   . ALA A 1 24  ? 27.689  -15.134 12.000  1.000 72.864  0 24  ALA AAA N   1 ? 1  
ATOM   166  C  CA  . ALA A 1 24  ? 28.249  -15.863 10.837  1.000 75.097  0 24  ALA AAA CA  1 ? 1  
ATOM   167  C  C   . ALA A 1 24  ? 29.773  -15.793 10.887  1.000 79.967  0 24  ALA AAA C   1 ? 1  
ATOM   168  O  O   . ALA A 1 24  ? 30.300  -14.667 10.819  1.000 83.413  0 24  ALA AAA O   1 ? 1  
ATOM   169  C  CB  . ALA A 1 24  ? 27.743  -15.257 9.551   1.000 73.192  0 24  ALA AAA CB  1 ? 1  
ATOM   170  N  N   . SER A 1 25  ? 30.447  -16.942 10.981  1.000 84.422  0 25  SER AAA N   1 ? 1  
ATOM   171  C  CA  . SER A 1 25  ? 31.930  -17.031 10.931  1.000 87.424  0 25  SER AAA CA  1 ? 1  
ATOM   172  C  C   . SER A 1 25  ? 32.377  -17.280 9.483   1.000 86.264  0 25  SER AAA C   1 ? 1  
ATOM   173  O  O   . SER A 1 25  ? 32.363  -16.307 8.712   1.000 88.525  0 25  SER AAA O   1 ? 1  
ATOM   174  C  CB  . SER A 1 25  ? 32.473  -18.042 11.919  1.000 90.799  0 25  SER AAA CB  1 ? 1  
ATOM   175  O  OG  . SER A 1 25  ? 32.061  -19.359 11.600  1.000 94.540  0 25  SER AAA OG  1 ? 1  
ATOM   176  N  N   . GLY A 1 26  ? 32.669  -18.528 9.100   1.000 85.905  0 26  GLY AAA N   1 ? 1  
ATOM   177  C  CA  . GLY A 1 26  ? 33.668  -18.883 8.066   1.000 86.374  0 26  GLY AAA CA  1 ? 1  
ATOM   178  C  C   . GLY A 1 26  ? 33.406  -18.343 6.660   1.000 85.950  0 26  GLY AAA C   1 ? 1  
ATOM   179  O  O   . GLY A 1 26  ? 33.708  -19.088 5.703   1.000 86.953  0 26  GLY AAA O   1 ? 1  
ATOM   180  N  N   . PHE A 1 27  ? 32.950  -17.092 6.499   1.000 85.386  0 27  PHE AAA N   1 ? 1  
ATOM   181  C  CA  . PHE A 1 27  ? 32.801  -16.416 5.178   1.000 86.434  0 27  PHE AAA CA  1 ? 1  
ATOM   182  C  C   . PHE A 1 27  ? 34.033  -15.542 4.892   1.000 89.620  0 27  PHE AAA C   1 ? 1  
ATOM   183  O  O   . PHE A 1 27  ? 34.378  -14.667 5.715   1.000 88.752  0 27  PHE AAA O   1 ? 1  
ATOM   184  C  CB  . PHE A 1 27  ? 31.515  -15.582 5.105   1.000 86.187  0 27  PHE AAA CB  1 ? 1  
ATOM   185  C  CG  . PHE A 1 27  ? 30.246  -16.377 4.899   1.000 84.494  0 27  PHE AAA CG  1 ? 1  
ATOM   186  C  CD1 . PHE A 1 27  ? 30.031  -17.066 3.717   1.000 82.782  0 27  PHE AAA CD1 1 ? 1  
ATOM   187  C  CD2 . PHE A 1 27  ? 29.265  -16.434 5.884   1.000 83.279  0 27  PHE AAA CD2 1 ? 1  
ATOM   188  C  CE1 . PHE A 1 27  ? 28.874  -17.810 3.529   1.000 83.343  0 27  PHE AAA CE1 1 ? 1  
ATOM   189  C  CE2 . PHE A 1 27  ? 28.103  -17.170 5.692   1.000 79.836  0 27  PHE AAA CE2 1 ? 1  
ATOM   190  C  CZ  . PHE A 1 27  ? 27.911  -17.858 4.515   1.000 81.402  0 27  PHE AAA CZ  1 ? 1  
ATOM   191  N  N   . THR A 1 28  ? 34.683  -15.795 3.751   1.000 84.931  0 28  THR AAA N   1 ? 2  
ATOM   192  C  CA  . THR A 1 28  ? 35.667  -14.904 3.073   1.000 87.173  0 28  THR AAA CA  1 ? 2  
ATOM   193  C  C   . THR A 1 28  ? 35.162  -13.452 3.052   1.000 85.403  0 28  THR AAA C   1 ? 2  
ATOM   194  O  O   . THR A 1 28  ? 35.848  -12.576 3.613   1.000 90.318  0 28  THR AAA O   1 ? 2  
ATOM   195  C  CB  . THR A 1 28  ? 35.876  -15.356 1.622   1.000 88.057  0 28  THR AAA CB  1 ? 2  
ATOM   196  O  OG1 . THR A 1 28  ? 36.106  -16.764 1.649   1.000 90.808  0 28  THR AAA OG1 1 ? 2  
ATOM   197  C  CG2 . THR A 1 28  ? 37.006  -14.635 0.918   1.000 91.111  0 28  THR AAA CG2 1 ? 2  
ATOM   198  N  N   . ASN A 1 29  ? 33.991  -13.231 2.440   1.000 76.772  0 29  ASN AAA N   1 ? 2  
ATOM   199  C  CA  . ASN A 1 29  ? 33.510  -11.917 1.929   1.000 71.698  0 29  ASN AAA CA  1 ? 2  
ATOM   200  C  C   . ASN A 1 29  ? 32.072  -11.681 2.411   1.000 66.112  0 29  ASN AAA C   1 ? 2  
ATOM   201  O  O   . ASN A 1 29  ? 31.518  -12.591 3.038   1.000 65.250  0 29  ASN AAA O   1 ? 2  
ATOM   202  C  CB  . ASN A 1 29  ? 33.598  -11.901 0.403   1.000 70.852  0 29  ASN AAA CB  1 ? 2  
ATOM   203  C  CG  . ASN A 1 29  ? 32.962  -13.139 -0.201  1.000 68.423  0 29  ASN AAA CG  1 ? 2  
ATOM   204  O  OD1 . ASN A 1 29  ? 31.780  -13.400 0.015   1.000 64.964  0 29  ASN AAA OD1 1 ? 2  
ATOM   205  N  ND2 . ASN A 1 29  ? 33.742  -13.942 -0.903  1.000 69.265  0 29  ASN AAA ND2 1 ? 2  
ATOM   206  N  N   . ASP A 1 30  ? 31.494  -10.519 2.087   1.000 66.301  0 30  ASP AAA N   1 ? 2  
ATOM   207  C  CA  . ASP A 1 30  ? 30.089  -10.118 2.387   1.000 65.705  0 30  ASP AAA CA  1 ? 2  
ATOM   208  C  C   . ASP A 1 30  ? 29.068  -10.706 1.385   1.000 59.923  0 30  ASP AAA C   1 ? 2  
ATOM   209  O  O   . ASP A 1 30  ? 27.878  -10.331 1.499   1.000 53.709  0 30  ASP AAA O   1 ? 2  
ATOM   210  C  CB  . ASP A 1 30  ? 29.952  -8.591  2.367   1.000 73.070  0 30  ASP AAA CB  1 ? 2  
ATOM   211  C  CG  . ASP A 1 30  ? 30.541  -7.884  3.577   1.000 87.321  0 30  ASP AAA CG  1 ? 2  
ATOM   212  O  OD1 . ASP A 1 30  ? 31.007  -8.581  4.512   1.000 97.300  0 30  ASP AAA OD1 1 ? 2  
ATOM   213  O  OD2 . ASP A 1 30  ? 30.524  -6.631  3.586   1.000 99.376  0 30  ASP AAA OD2 1 ? 2  
ATOM   214  N  N   . PHE A 1 31  ? 29.462  -11.557 0.423   1.000 58.248  0 31  PHE AAA N   1 ? 2  
ATOM   215  C  CA  . PHE A 1 31  ? 28.527  -12.063 -0.628  1.000 57.176  0 31  PHE AAA CA  1 ? 2  
ATOM   216  C  C   . PHE A 1 31  ? 27.818  -13.345 -0.150  1.000 52.216  0 31  PHE AAA C   1 ? 2  
ATOM   217  O  O   . PHE A 1 31  ? 28.122  -14.491 -0.540  1.000 51.076  0 31  PHE AAA O   1 ? 2  
ATOM   218  C  CB  . PHE A 1 31  ? 29.207  -12.247 -1.984  1.000 59.990  0 31  PHE AAA CB  1 ? 2  
ATOM   219  C  CG  . PHE A 1 31  ? 28.209  -12.342 -3.112  1.000 60.826  0 31  PHE AAA CG  1 ? 2  
ATOM   220  C  CD1 . PHE A 1 31  ? 27.653  -11.196 -3.662  1.000 61.709  0 31  PHE AAA CD1 1 ? 2  
ATOM   221  C  CD2 . PHE A 1 31  ? 27.779  -13.580 -3.580  1.000 60.830  0 31  PHE AAA CD2 1 ? 2  
ATOM   222  C  CE1 . PHE A 1 31  ? 26.728  -11.284 -4.693  1.000 62.040  0 31  PHE AAA CE1 1 ? 2  
ATOM   223  C  CE2 . PHE A 1 31  ? 26.864  -13.665 -4.621  1.000 61.237  0 31  PHE AAA CE2 1 ? 2  
ATOM   224  C  CZ  . PHE A 1 31  ? 26.328  -12.518 -5.162  1.000 60.835  0 31  PHE AAA CZ  1 ? 2  
ATOM   225  N  N   . TYR A 1 32  ? 26.872  -13.132 0.747   1.000 51.056  0 32  TYR AAA N   1 ? 2  
ATOM   226  C  CA  . TYR A 1 32  ? 25.940  -14.162 1.250   1.000 47.715  0 32  TYR AAA CA  1 ? 2  
ATOM   227  C  C   . TYR A 1 32  ? 24.659  -13.412 1.621   1.000 46.638  0 32  TYR AAA C   1 ? 2  
ATOM   228  O  O   . TYR A 1 32  ? 24.631  -12.139 1.576   1.000 50.494  0 32  TYR AAA O   1 ? 2  
ATOM   229  C  CB  . TYR A 1 32  ? 26.611  -14.958 2.372   1.000 50.476  0 32  TYR AAA CB  1 ? 2  
ATOM   230  C  CG  . TYR A 1 32  ? 27.007  -14.178 3.604   1.000 51.561  0 32  TYR AAA CG  1 ? 2  
ATOM   231  C  CD1 . TYR A 1 32  ? 26.120  -14.010 4.656   1.000 52.490  0 32  TYR AAA CD1 1 ? 2  
ATOM   232  C  CD2 . TYR A 1 32  ? 28.285  -13.651 3.755   1.000 55.072  0 32  TYR AAA CD2 1 ? 2  
ATOM   233  C  CE1 . TYR A 1 32  ? 26.489  -13.343 5.823   1.000 55.528  0 32  TYR AAA CE1 1 ? 2  
ATOM   234  C  CE2 . TYR A 1 32  ? 28.666  -12.973 4.908   1.000 55.716  0 32  TYR AAA CE2 1 ? 2  
ATOM   235  C  CZ  . TYR A 1 32  ? 27.767  -12.821 5.952   1.000 56.955  0 32  TYR AAA CZ  1 ? 2  
ATOM   236  O  OH  . TYR A 1 32  ? 28.130  -12.165 7.102   1.000 62.358  0 32  TYR AAA OH  1 ? 2  
ATOM   237  N  N   . SER A 1 33  ? 23.609  -14.180 1.896   1.000 45.401  0 33  SER AAA N   1 ? 2  
ATOM   238  C  CA  . SER A 1 33  ? 22.349  -13.644 2.472   1.000 45.420  0 33  SER AAA CA  1 ? 2  
ATOM   239  C  C   . SER A 1 33  ? 21.915  -14.553 3.621   1.000 46.719  0 33  SER AAA C   1 ? 2  
ATOM   240  O  O   . SER A 1 33  ? 22.344  -15.721 3.654   1.000 46.145  0 33  SER AAA O   1 ? 2  
ATOM   241  C  CB  . SER A 1 33  ? 21.285  -13.480 1.436   1.000 45.974  0 33  SER AAA CB  1 ? 2  
ATOM   242  O  OG  . SER A 1 33  ? 21.761  -12.706 0.345   1.000 44.825  0 33  SER AAA OG  1 ? 2  
ATOM   243  N  N   . ILE A 1 34  ? 21.164  -13.977 4.554   1.000 47.789  0 34  ILE AAA N   1 ? 2  
ATOM   244  C  CA  . ILE A 1 34  ? 20.628  -14.653 5.762   1.000 50.022  0 34  ILE AAA CA  1 ? 2  
ATOM   245  C  C   . ILE A 1 34  ? 19.112  -14.735 5.567   1.000 48.477  0 34  ILE AAA C   1 ? 2  
ATOM   246  O  O   . ILE A 1 34  ? 18.523  -13.837 4.849   1.000 50.426  0 34  ILE AAA O   1 ? 2  
ATOM   247  C  CB  . ILE A 1 34  ? 21.034  -13.877 7.033   1.000 51.679  0 34  ILE AAA CB  1 ? 2  
ATOM   248  C  CG1 . ILE A 1 34  ? 22.555  -13.835 7.224   1.000 53.440  0 34  ILE AAA CG1 1 ? 2  
ATOM   249  C  CG2 . ILE A 1 34  ? 20.339  -14.419 8.279   1.000 53.391  0 34  ILE AAA CG2 1 ? 2  
ATOM   250  C  CD1 . ILE A 1 34  ? 23.219  -15.194 7.360   1.000 54.757  0 34  ILE AAA CD1 1 ? 2  
ATOM   251  N  N   . ALA A 1 35  ? 18.527  -15.810 6.120   1.000 47.387  0 35  ALA AAA N   1 ? 2  
ATOM   252  C  CA  . ALA A 1 35  ? 17.065  -15.991 6.244   1.000 46.361  0 35  ALA AAA CA  1 ? 2  
ATOM   253  C  C   . ALA A 1 35  ? 16.756  -16.395 7.678   1.000 47.608  0 35  ALA AAA C   1 ? 2  
ATOM   254  O  O   . ALA A 1 35  ? 17.594  -17.070 8.306   1.000 48.411  0 35  ALA AAA O   1 ? 2  
ATOM   255  C  CB  . ALA A 1 35  ? 16.574  -17.028 5.267   1.000 46.740  0 35  ALA AAA CB  1 ? 2  
ATOM   256  N  N   . TRP A 1 36  ? 15.612  -15.955 8.185   1.000 48.502  0 36  TRP AAA N   1 ? 2  
ATOM   257  C  CA  . TRP A 1 36  ? 15.034  -16.501 9.434   1.000 49.720  0 36  TRP AAA CA  1 ? 2  
ATOM   258  C  C   . TRP A 1 36  ? 13.836  -17.365 9.059   1.000 47.619  0 36  TRP AAA C   1 ? 2  
ATOM   259  O  O   . TRP A 1 36  ? 12.936  -16.871 8.347   1.000 45.773  0 36  TRP AAA O   1 ? 2  
ATOM   260  C  CB  . TRP A 1 36  ? 14.683  -15.386 10.413  1.000 51.734  0 36  TRP AAA CB  1 ? 2  
ATOM   261  C  CG  . TRP A 1 36  ? 15.888  -14.732 11.009  1.000 54.430  0 36  TRP AAA CG  1 ? 2  
ATOM   262  C  CD1 . TRP A 1 36  ? 16.511  -13.612 10.546  1.000 54.416  0 36  TRP AAA CD1 1 ? 2  
ATOM   263  C  CD2 . TRP A 1 36  ? 16.611  -15.145 12.183  1.000 56.753  0 36  TRP AAA CD2 1 ? 2  
ATOM   264  N  NE1 . TRP A 1 36  ? 17.560  -13.289 11.360  1.000 58.323  0 36  TRP AAA NE1 1 ? 2  
ATOM   265  C  CE2 . TRP A 1 36  ? 17.646  -14.205 12.375  1.000 58.394  0 36  TRP AAA CE2 1 ? 2  
ATOM   266  C  CE3 . TRP A 1 36  ? 16.483  -16.200 13.093  1.000 58.427  0 36  TRP AAA CE3 1 ? 2  
ATOM   267  C  CZ2 . TRP A 1 36  ? 18.563  -14.309 13.420  1.000 60.682  0 36  TRP AAA CZ2 1 ? 2  
ATOM   268  C  CZ3 . TRP A 1 36  ? 17.377  -16.294 14.138  1.000 61.235  0 36  TRP AAA CZ3 1 ? 2  
ATOM   269  C  CH2 . TRP A 1 36  ? 18.401  -15.357 14.300  1.000 62.369  0 36  TRP AAA CH2 1 ? 2  
ATOM   270  N  N   . PHE A 1 37  ? 13.899  -18.630 9.463   1.000 47.641  0 37  PHE AAA N   1 ? 2  
ATOM   271  C  CA  . PHE A 1 37  ? 12.822  -19.635 9.312   1.000 48.124  0 37  PHE AAA CA  1 ? 2  
ATOM   272  C  C   . PHE A 1 37  ? 12.274  -19.992 10.697  1.000 51.370  0 37  PHE AAA C   1 ? 2  
ATOM   273  O  O   . PHE A 1 37  ? 13.072  -20.279 11.622  1.000 51.559  0 37  PHE AAA O   1 ? 2  
ATOM   274  C  CB  . PHE A 1 37  ? 13.382  -20.879 8.627   1.000 48.812  0 37  PHE AAA CB  1 ? 2  
ATOM   275  C  CG  . PHE A 1 37  ? 13.596  -20.729 7.142   1.000 45.331  0 37  PHE AAA CG  1 ? 2  
ATOM   276  C  CD1 . PHE A 1 37  ? 14.787  -20.219 6.649   1.000 44.012  0 37  PHE AAA CD1 1 ? 2  
ATOM   277  C  CD2 . PHE A 1 37  ? 12.622  -21.134 6.250   1.000 45.343  0 37  PHE AAA CD2 1 ? 2  
ATOM   278  C  CE1 . PHE A 1 37  ? 14.986  -20.096 5.282   1.000 42.910  0 37  PHE AAA CE1 1 ? 2  
ATOM   279  C  CE2 . PHE A 1 37  ? 12.822  -21.018 4.878   1.000 44.988  0 37  PHE AAA CE2 1 ? 2  
ATOM   280  C  CZ  . PHE A 1 37  ? 14.011  -20.517 4.400   1.000 43.099  0 37  PHE AAA CZ  1 ? 2  
ATOM   281  N  N   . ARG A 1 38  ? 10.953  -19.952 10.848  1.000 52.188  0 38  ARG AAA N   1 ? 2  
ATOM   282  C  CA  . ARG A 1 38  ? 10.287  -20.382 12.101  1.000 55.231  0 38  ARG AAA CA  1 ? 2  
ATOM   283  C  C   . ARG A 1 38  ? 9.509   -21.676 11.836  1.000 55.578  0 38  ARG AAA C   1 ? 2  
ATOM   284  O  O   . ARG A 1 38  ? 8.933   -21.831 10.738  1.000 52.486  0 38  ARG AAA O   1 ? 2  
ATOM   285  C  CB  . ARG A 1 38  ? 9.438   -19.247 12.677  1.000 56.865  0 38  ARG AAA CB  1 ? 2  
ATOM   286  C  CG  . ARG A 1 38  ? 8.159   -18.934 11.922  1.000 57.497  0 38  ARG AAA CG  1 ? 2  
ATOM   287  C  CD  . ARG A 1 38  ? 7.466   -17.840 12.692  1.000 61.643  0 38  ARG AAA CD  1 ? 2  
ATOM   288  N  NE  . ARG A 1 38  ? 6.325   -17.244 12.026  1.000 63.758  0 38  ARG AAA NE  1 ? 2  
ATOM   289  C  CZ  . ARG A 1 38  ? 5.733   -16.117 12.417  1.000 68.334  0 38  ARG AAA CZ  1 ? 2  
ATOM   290  N  NH1 . ARG A 1 38  ? 6.163   -15.454 13.480  1.000 70.217  0 38  ARG AAA NH1 1 ? 2  
ATOM   291  N  NH2 . ARG A 1 38  ? 4.698   -15.657 11.739  1.000 69.564  0 38  ARG AAA NH2 1 ? 2  
ATOM   292  N  N   . GLN A 1 39  ? 9.546   -22.584 12.811  1.000 57.734  0 39  GLN AAA N   1 ? 2  
ATOM   293  C  CA  . GLN A 1 39  ? 8.849   -23.888 12.774  1.000 61.516  0 39  GLN AAA CA  1 ? 2  
ATOM   294  C  C   . GLN A 1 39  ? 7.912   -23.921 13.978  1.000 64.868  0 39  GLN AAA C   1 ? 2  
ATOM   295  O  O   . GLN A 1 39  ? 8.414   -24.162 15.080  1.000 64.527  0 39  GLN AAA O   1 ? 2  
ATOM   296  C  CB  . GLN A 1 39  ? 9.877   -25.019 12.779  1.000 64.847  0 39  GLN AAA CB  1 ? 2  
ATOM   297  C  CG  . GLN A 1 39  ? 9.302   -26.369 12.378  1.000 70.199  0 39  GLN AAA CG  1 ? 2  
ATOM   298  C  CD  . GLN A 1 39  ? 10.343  -27.452 12.501  1.000 74.780  0 39  GLN AAA CD  1 ? 2  
ATOM   299  O  OE1 . GLN A 1 39  ? 11.003  -27.827 11.527  1.000 75.717  0 39  GLN AAA OE1 1 ? 2  
ATOM   300  N  NE2 . GLN A 1 39  ? 10.522  -27.929 13.725  1.000 80.979  0 39  GLN AAA NE2 1 ? 2  
ATOM   301  N  N   . ALA A 1 40  ? 6.641   -23.570 13.755  1.000 65.756  0 40  ALA AAA N   1 ? 2  
ATOM   302  C  CA  . ALA A 1 40  ? 5.540   -23.587 14.743  1.000 70.550  0 40  ALA AAA CA  1 ? 2  
ATOM   303  C  C   . ALA A 1 40  ? 5.202   -25.042 15.040  1.000 74.585  0 40  ALA AAA C   1 ? 2  
ATOM   304  O  O   . ALA A 1 40  ? 5.580   -25.913 14.262  1.000 72.873  0 40  ALA AAA O   1 ? 2  
ATOM   305  C  CB  . ALA A 1 40  ? 4.351   -22.830 14.198  1.000 69.960  0 40  ALA AAA CB  1 ? 2  
ATOM   306  N  N   . PRO A 1 41  ? 4.519   -25.355 16.168  1.000 81.641  0 41  PRO AAA N   1 ? 2  
ATOM   307  C  CA  . PRO A 1 41  ? 4.113   -26.734 16.468  1.000 87.622  0 41  PRO AAA CA  1 ? 2  
ATOM   308  C  C   . PRO A 1 41  ? 3.360   -27.408 15.303  1.000 87.909  0 41  PRO AAA C   1 ? 2  
ATOM   309  O  O   . PRO A 1 41  ? 2.319   -26.907 14.888  1.000 89.058  0 41  PRO AAA O   1 ? 2  
ATOM   310  C  CB  . PRO A 1 41  ? 3.221   -26.623 17.726  1.000 90.320  0 41  PRO AAA CB  1 ? 2  
ATOM   311  C  CG  . PRO A 1 41  ? 2.936   -25.135 17.884  1.000 88.887  0 41  PRO AAA CG  1 ? 2  
ATOM   312  C  CD  . PRO A 1 41  ? 4.100   -24.416 17.223  1.000 83.928  0 41  PRO AAA CD  1 ? 2  
ATOM   313  N  N   . GLY A 1 42  ? 3.925   -28.498 14.774  1.000 87.548  0 42  GLY AAA N   1 ? 2  
ATOM   314  C  CA  . GLY A 1 42  ? 3.316   -29.313 13.705  1.000 89.981  0 42  GLY AAA CA  1 ? 2  
ATOM   315  C  C   . GLY A 1 42  ? 3.360   -28.665 12.322  1.000 85.344  0 42  GLY AAA C   1 ? 2  
ATOM   316  O  O   . GLY A 1 42  ? 2.761   -29.247 11.410  1.000 86.556  0 42  GLY AAA O   1 ? 2  
ATOM   317  N  N   . LYS A 1 43  ? 4.029   -27.521 12.138  1.000 83.886  0 43  LYS AAA N   1 ? 2  
ATOM   318  C  CA  . LYS A 1 43  ? 4.194   -26.879 10.799  1.000 81.476  0 43  LYS AAA CA  1 ? 2  
ATOM   319  C  C   . LYS A 1 43  ? 5.605   -27.152 10.257  1.000 79.148  0 43  LYS AAA C   1 ? 2  
ATOM   320  O  O   . LYS A 1 43  ? 6.497   -27.523 11.047  1.000 79.949  0 43  LYS AAA O   1 ? 2  
ATOM   321  C  CB  . LYS A 1 43  ? 3.934   -25.369 10.859  1.000 82.065  0 43  LYS AAA CB  1 ? 2  
ATOM   322  C  CG  . LYS A 1 43  ? 2.479   -24.944 10.708  1.000 88.088  0 43  LYS AAA CG  1 ? 2  
ATOM   323  C  CD  . LYS A 1 43  ? 1.698   -24.991 12.000  1.000 96.632  0 43  LYS AAA CD  1 ? 2  
ATOM   324  C  CE  . LYS A 1 43  ? 0.306   -24.407 11.886  1.000 102.159 0 43  LYS AAA CE  1 ? 2  
ATOM   325  N  NZ  . LYS A 1 43  ? -0.690  -25.428 11.482  1.000 106.008 0 43  LYS AAA NZ  1 ? 2  
ATOM   326  N  N   . GLU A 1 44  ? 5.800   -26.959 8.948   1.000 77.637  0 44  GLU AAA N   1 ? 2  
ATOM   327  C  CA  . GLU A 1 44  ? 7.132   -26.971 8.281   1.000 74.344  0 44  GLU AAA CA  1 ? 2  
ATOM   328  C  C   . GLU A 1 44  ? 7.838   -25.649 8.601   1.000 67.330  0 44  GLU AAA C   1 ? 2  
ATOM   329  O  O   . GLU A 1 44  ? 7.111   -24.681 8.892   1.000 62.772  0 44  GLU AAA O   1 ? 2  
ATOM   330  C  CB  . GLU A 1 44  ? 6.995   -27.110 6.759   1.000 78.653  0 44  GLU AAA CB  1 ? 2  
ATOM   331  C  CG  . GLU A 1 44  ? 6.206   -28.327 6.292   1.000 88.261  0 44  GLU AAA CG  1 ? 2  
ATOM   332  C  CD  . GLU A 1 44  ? 6.919   -29.664 6.424   1.000 95.277  0 44  GLU AAA CD  1 ? 2  
ATOM   333  O  OE1 . GLU A 1 44  ? 7.941   -29.725 7.145   1.000 101.383 0 44  GLU AAA OE1 1 ? 2  
ATOM   334  O  OE2 . GLU A 1 44  ? 6.451   -30.644 5.803   1.000 100.775 0 44  GLU AAA OE2 1 ? 2  
ATOM   335  N  N   . ARG A 1 45  ? 9.177   -25.612 8.526   1.000 64.837  0 45  ARG AAA N   1 ? 2  
ATOM   336  C  CA  . ARG A 1 45  ? 9.989   -24.363 8.545   1.000 66.338  0 45  ARG AAA CA  1 ? 2  
ATOM   337  C  C   . ARG A 1 45  ? 9.393   -23.384 7.519   1.000 64.404  0 45  ARG AAA C   1 ? 2  
ATOM   338  O  O   . ARG A 1 45  ? 9.102   -23.829 6.399   1.000 64.117  0 45  ARG AAA O   1 ? 2  
ATOM   339  C  CB  . ARG A 1 45  ? 11.451  -24.644 8.181   1.000 67.100  0 45  ARG AAA CB  1 ? 2  
ATOM   340  C  CG  . ARG A 1 45  ? 12.250  -25.385 9.239   1.000 73.743  0 45  ARG AAA CG  1 ? 2  
ATOM   341  C  CD  . ARG A 1 45  ? 13.555  -25.922 8.678   1.000 78.042  0 45  ARG AAA CD  1 ? 2  
ATOM   342  N  NE  . ARG A 1 45  ? 14.407  -26.496 9.714   1.000 87.519  0 45  ARG AAA NE  1 ? 2  
ATOM   343  C  CZ  . ARG A 1 45  ? 15.573  -27.109 9.499   1.000 94.734  0 45  ARG AAA CZ  1 ? 2  
ATOM   344  N  NH1 . ARG A 1 45  ? 16.046  -27.244 8.266   1.000 94.026  0 45  ARG AAA NH1 1 ? 2  
ATOM   345  N  NH2 . ARG A 1 45  ? 16.255  -27.598 10.525  1.000 93.238  0 45  ARG AAA NH2 1 ? 2  
ATOM   346  N  N   . GLU A 1 46  ? 9.178   -22.120 7.895   1.000 60.869  0 46  GLU AAA N   1 ? 2  
ATOM   347  C  CA  . GLU A 1 46  ? 8.622   -21.066 7.002   1.000 59.484  0 46  GLU AAA CA  1 ? 2  
ATOM   348  C  C   . GLU A 1 46  ? 9.477   -19.809 7.162   1.000 54.126  0 46  GLU AAA C   1 ? 2  
ATOM   349  O  O   . GLU A 1 46  ? 9.732   -19.400 8.323   1.000 48.437  0 46  GLU AAA O   1 ? 2  
ATOM   350  C  CB  . GLU A 1 46  ? 7.174   -20.723 7.354   1.000 66.517  0 46  GLU AAA CB  1 ? 2  
ATOM   351  C  CG  . GLU A 1 46  ? 6.169   -21.823 7.051   1.000 77.784  0 46  GLU AAA CG  1 ? 2  
ATOM   352  C  CD  . GLU A 1 46  ? 4.897   -21.738 7.892   1.000 92.197  0 46  GLU AAA CD  1 ? 2  
ATOM   353  O  OE1 . GLU A 1 46  ? 4.482   -20.598 8.212   1.000 102.250 0 46  GLU AAA OE1 1 ? 2  
ATOM   354  O  OE2 . GLU A 1 46  ? 4.332   -22.808 8.252   1.000 95.526  0 46  GLU AAA OE2 1 ? 2  
ATOM   355  N  N   . GLY A 1 47  ? 9.902   -19.220 6.046   1.000 47.348  0 47  GLY AAA N   1 ? 2  
ATOM   356  C  CA  . GLY A 1 47  ? 10.660  -17.958 6.056   1.000 46.704  0 47  GLY AAA CA  1 ? 2  
ATOM   357  C  C   . GLY A 1 47  ? 9.807   -16.838 6.623   1.000 49.320  0 47  GLY AAA C   1 ? 2  
ATOM   358  O  O   . GLY A 1 47  ? 8.600   -16.813 6.310   1.000 50.973  0 47  GLY AAA O   1 ? 2  
ATOM   359  N  N   . VAL A 1 48  ? 10.396  -15.941 7.425   1.000 49.861  0 48  VAL AAA N   1 ? 2  
ATOM   360  C  CA  . VAL A 1 48  ? 9.671   -14.745 7.967   1.000 52.088  0 48  VAL AAA CA  1 ? 2  
ATOM   361  C  C   . VAL A 1 48  ? 10.415  -13.432 7.634   1.000 50.920  0 48  VAL AAA C   1 ? 2  
ATOM   362  O  O   . VAL A 1 48  ? 9.720   -12.380 7.530   1.000 55.458  0 48  VAL AAA O   1 ? 2  
ATOM   363  C  CB  . VAL A 1 48  ? 9.411   -14.871 9.484   1.000 54.063  0 48  VAL AAA CB  1 ? 2  
ATOM   364  C  CG1 . VAL A 1 48  ? 8.357   -15.929 9.762   1.000 57.654  0 48  VAL AAA CG1 1 ? 2  
ATOM   365  C  CG2 . VAL A 1 48  ? 10.674  -15.145 10.283  1.000 53.438  0 48  VAL AAA CG2 1 ? 2  
ATOM   366  N  N   . SER A 1 49  ? 11.757  -13.470 7.549   1.000 49.770  0 49  SER AAA N   1 ? 2  
ATOM   367  C  CA  . SER A 1 49  ? 12.619  -12.306 7.176   1.000 52.105  0 49  SER AAA CA  1 ? 2  
ATOM   368  C  C   . SER A 1 49  ? 13.894  -12.741 6.443   1.000 48.563  0 49  SER AAA C   1 ? 2  
ATOM   369  O  O   . SER A 1 49  ? 14.507  -13.785 6.861   1.000 50.746  0 49  SER AAA O   1 ? 2  
ATOM   370  C  CB  . SER A 1 49  ? 12.988  -11.475 8.381   1.000 55.078  0 49  SER AAA CB  1 ? 2  
ATOM   371  O  OG  . SER A 1 49  ? 11.822  -11.116 9.110   1.000 63.253  0 49  SER AAA OG  1 ? 2  
ATOM   372  N  N   . TRP A 1 50  ? 14.316  -11.887 5.437   1.000 46.902  0 50  TRP AAA N   1 ? 2  
ATOM   373  C  CA  . TRP A 1 50  ? 15.577  -12.074 4.673   1.000 45.670  0 50  TRP AAA CA  1 ? 2  
ATOM   374  C  C   . TRP A 1 50  ? 16.411  -10.789 4.661   1.000 47.438  0 50  TRP AAA C   1 ? 2  
ATOM   375  O  O   . TRP A 1 50  ? 15.818  -9.671  4.648   1.000 53.141  0 50  TRP AAA O   1 ? 2  
ATOM   376  C  CB  . TRP A 1 50  ? 15.272  -12.468 3.227   1.000 49.057  0 50  TRP AAA CB  1 ? 2  
ATOM   377  C  CG  . TRP A 1 50  ? 14.477  -13.736 2.983   1.000 49.622  0 50  TRP AAA CG  1 ? 2  
ATOM   378  C  CD1 . TRP A 1 50  ? 14.962  -14.974 2.777   1.000 51.941  0 50  TRP AAA CD1 1 ? 2  
ATOM   379  C  CD2 . TRP A 1 50  ? 13.041  -13.878 3.056   1.000 53.189  0 50  TRP AAA CD2 1 ? 2  
ATOM   380  N  NE1 . TRP A 1 50  ? 13.936  -15.874 2.743   1.000 50.477  0 50  TRP AAA NE1 1 ? 2  
ATOM   381  C  CE2 . TRP A 1 50  ? 12.746  -15.227 2.851   1.000 51.203  0 50  TRP AAA CE2 1 ? 2  
ATOM   382  C  CE3 . TRP A 1 50  ? 11.985  -12.991 3.232   1.000 55.846  0 50  TRP AAA CE3 1 ? 2  
ATOM   383  C  CZ2 . TRP A 1 50  ? 11.443  -15.718 2.815   1.000 52.568  0 50  TRP AAA CZ2 1 ? 2  
ATOM   384  C  CZ3 . TRP A 1 50  ? 10.693  -13.480 3.247   1.000 58.166  0 50  TRP AAA CZ3 1 ? 2  
ATOM   385  C  CH2 . TRP A 1 50  ? 10.428  -14.820 3.024   1.000 57.778  0 50  TRP AAA CH2 1 ? 2  
ATOM   386  N  N   . LEU A 1 51  ? 17.743  -10.961 4.682   1.000 47.440  0 51  LEU AAA N   1 ? 2  
ATOM   387  C  CA  . LEU A 1 51  ? 18.736  -9.853  4.536   1.000 49.842  0 51  LEU AAA CA  1 ? 2  
ATOM   388  C  C   . LEU A 1 51  ? 19.787  -10.287 3.525   1.000 47.215  0 51  LEU AAA C   1 ? 2  
ATOM   389  O  O   . LEU A 1 51  ? 20.535  -11.238 3.809   1.000 49.413  0 51  LEU AAA O   1 ? 2  
ATOM   390  C  CB  . LEU A 1 51  ? 19.408  -9.511  5.879   1.000 50.970  0 51  LEU AAA CB  1 ? 2  
ATOM   391  C  CG  . LEU A 1 51  ? 20.310  -8.273  5.830   1.000 54.801  0 51  LEU AAA CG  1 ? 2  
ATOM   392  C  CD1 . LEU A 1 51  ? 19.489  -7.027  5.528   1.000 55.966  0 51  LEU AAA CD1 1 ? 2  
ATOM   393  C  CD2 . LEU A 1 51  ? 21.088  -8.097  7.124   1.000 59.942  0 51  LEU AAA CD2 1 ? 2  
ATOM   394  N  N   . SER A 1 52  ? 19.856  -9.572  2.415   1.000 48.618  0 52  SER AAA N   1 ? 2  
ATOM   395  C  CA  . SER A 1 52  ? 20.967  -9.655  1.433   1.000 50.536  0 52  SER AAA CA  1 ? 2  
ATOM   396  C  C   . SER A 1 52  ? 22.107  -8.760  1.938   1.000 50.707  0 52  SER AAA C   1 ? 2  
ATOM   397  O  O   . SER A 1 52  ? 21.911  -7.539  1.972   1.000 54.636  0 52  SER AAA O   1 ? 2  
ATOM   398  C  CB  . SER A 1 52  ? 20.481  -9.275  0.052   1.000 50.468  0 52  SER AAA CB  1 ? 2  
ATOM   399  O  OG  . SER A 1 52  ? 21.558  -9.341  -0.866  1.000 56.305  0 52  SER AAA OG  1 ? 2  
ATOM   400  N  N   . VAL A 1 53  ? 23.218  -9.347  2.383   1.000 49.658  0 53  VAL AAA N   1 ? 2  
ATOM   401  C  CA  . VAL A 1 53  ? 24.229  -8.650  3.231   1.000 54.415  0 53  VAL AAA CA  1 ? 2  
ATOM   402  C  C   . VAL A 1 53  ? 24.928  -7.564  2.404   1.000 56.914  0 53  VAL AAA C   1 ? 2  
ATOM   403  O  O   . VAL A 1 53  ? 24.926  -6.409  2.873   1.000 54.427  0 53  VAL AAA O   1 ? 2  
ATOM   404  C  CB  . VAL A 1 53  ? 25.204  -9.655  3.876   1.000 57.637  0 53  VAL AAA CB  1 ? 2  
ATOM   405  C  CG1 . VAL A 1 53  ? 26.407  -8.974  4.527   1.000 60.993  0 53  VAL AAA CG1 1 ? 2  
ATOM   406  C  CG2 . VAL A 1 53  ? 24.469  -10.523 4.893   1.000 56.479  0 53  VAL AAA CG2 1 ? 2  
ATOM   407  N  N   . SER A 1 54  ? 25.428  -7.887  1.199   1.000 58.110  0 54  SER AAA N   1 ? 2  
ATOM   408  C  CA  . SER A 1 54  ? 26.220  -6.952  0.347   1.000 60.887  0 54  SER AAA CA  1 ? 2  
ATOM   409  C  C   . SER A 1 54  ? 25.368  -5.718  0.017   1.000 61.171  0 54  SER AAA C   1 ? 2  
ATOM   410  O  O   . SER A 1 54  ? 25.893  -4.612  0.073   1.000 62.730  0 54  SER AAA O   1 ? 2  
ATOM   411  C  CB  . SER A 1 54  ? 26.783  -7.621  -0.893  1.000 61.765  0 54  SER AAA CB  1 ? 2  
ATOM   412  O  OG  . SER A 1 54  ? 25.809  -8.430  -1.551  1.000 66.113  0 54  SER AAA OG  1 ? 2  
ATOM   413  N  N   . ASP A 1 55  ? 24.075  -5.901  -0.233  1.000 62.181  0 55  ASP AAA N   1 ? 2  
ATOM   414  C  CA  . ASP A 1 55  ? 23.126  -4.828  -0.639  1.000 62.995  0 55  ASP AAA CA  1 ? 2  
ATOM   415  C  C   . ASP A 1 55  ? 22.451  -4.210  0.587   1.000 59.855  0 55  ASP AAA C   1 ? 2  
ATOM   416  O  O   . ASP A 1 55  ? 21.878  -3.119  0.449   1.000 57.700  0 55  ASP AAA O   1 ? 2  
ATOM   417  C  CB  . ASP A 1 55  ? 22.030  -5.387  -1.550  1.000 65.727  0 55  ASP AAA CB  1 ? 2  
ATOM   418  C  CG  . ASP A 1 55  ? 22.457  -5.478  -2.995  1.000 72.222  0 55  ASP AAA CG  1 ? 2  
ATOM   419  O  OD1 . ASP A 1 55  ? 23.677  -5.330  -3.231  1.000 80.791  0 55  ASP AAA OD1 1 ? 2  
ATOM   420  O  OD2 . ASP A 1 55  ? 21.570  -5.665  -3.870  1.000 71.068  0 55  ASP AAA OD2 1 ? 2  
ATOM   421  N  N   . ASN A 1 56  ? 22.462  -4.916  1.720   1.000 57.645  0 56  ASN AAA N   1 ? 2  
ATOM   422  C  CA  . ASN A 1 56  ? 21.757  -4.509  2.964   1.000 55.690  0 56  ASN AAA CA  1 ? 2  
ATOM   423  C  C   . ASN A 1 56  ? 20.264  -4.309  2.676   1.000 54.453  0 56  ASN AAA C   1 ? 2  
ATOM   424  O  O   . ASN A 1 56  ? 19.728  -3.282  3.071   1.000 54.763  0 56  ASN AAA O   1 ? 2  
ATOM   425  C  CB  . ASN A 1 56  ? 22.357  -3.231  3.542   1.000 58.938  0 56  ASN AAA CB  1 ? 2  
ATOM   426  C  CG  . ASN A 1 56  ? 22.171  -3.180  5.040   1.000 59.292  0 56  ASN AAA CG  1 ? 2  
ATOM   427  O  OD1 . ASN A 1 56  ? 22.122  -4.224  5.684   1.000 58.076  0 56  ASN AAA OD1 1 ? 2  
ATOM   428  N  ND2 . ASN A 1 56  ? 22.039  -1.990  5.581   1.000 61.040  0 56  ASN AAA ND2 1 ? 2  
ATOM   429  N  N   . THR A 1 57  ? 19.633  -5.220  1.929   1.000 51.755  0 57  THR AAA N   1 ? 2  
ATOM   430  C  CA  . THR A 1 57  ? 18.182  -5.149  1.623   1.000 52.624  0 57  THR AAA CA  1 ? 2  
ATOM   431  C  C   . THR A 1 57  ? 17.431  -6.138  2.497   1.000 50.661  0 57  THR AAA C   1 ? 2  
ATOM   432  O  O   . THR A 1 57  ? 17.683  -7.336  2.417   1.000 49.857  0 57  THR AAA O   1 ? 2  
ATOM   433  C  CB  . THR A 1 57  ? 17.873  -5.472  0.161   1.000 52.973  0 57  THR AAA CB  1 ? 2  
ATOM   434  O  OG1 . THR A 1 57  ? 19.011  -4.979  -0.537  1.000 54.442  0 57  THR AAA OG1 1 ? 2  
ATOM   435  C  CG2 . THR A 1 57  ? 16.567  -4.855  -0.296  1.000 54.091  0 57  THR AAA CG2 1 ? 2  
ATOM   436  N  N   . PRO A 1 58  ? 16.490  -5.661  3.338   1.000 53.080  0 58  PRO AAA N   1 ? 2  
ATOM   437  C  CA  . PRO A 1 58  ? 15.653  -6.550  4.131   1.000 51.341  0 58  PRO AAA CA  1 ? 2  
ATOM   438  C  C   . PRO A 1 58  ? 14.379  -6.890  3.347   1.000 51.407  0 58  PRO AAA C   1 ? 2  
ATOM   439  O  O   . PRO A 1 58  ? 13.969  -6.116  2.527   1.000 51.620  0 58  PRO AAA O   1 ? 2  
ATOM   440  C  CB  . PRO A 1 58  ? 15.373  -5.702  5.376   1.000 53.809  0 58  PRO AAA CB  1 ? 2  
ATOM   441  C  CG  . PRO A 1 58  ? 15.330  -4.270  4.853   1.000 57.061  0 58  PRO AAA CG  1 ? 2  
ATOM   442  C  CD  . PRO A 1 58  ? 16.197  -4.243  3.607   1.000 55.218  0 58  PRO AAA CD  1 ? 2  
ATOM   443  N  N   . THR A 1 59  ? 13.815  -8.064  3.613   1.000 49.182  0 59  THR AAA N   1 ? 2  
ATOM   444  C  CA  . THR A 1 59  ? 12.478  -8.494  3.149   1.000 48.439  0 59  THR AAA CA  1 ? 2  
ATOM   445  C  C   . THR A 1 59  ? 11.756  -9.136  4.331   1.000 48.297  0 59  THR AAA C   1 ? 2  
ATOM   446  O  O   . THR A 1 59  ? 12.424  -9.825  5.125   1.000 47.163  0 59  THR AAA O   1 ? 2  
ATOM   447  C  CB  . THR A 1 59  ? 12.606  -9.460  1.969   1.000 47.142  0 59  THR AAA CB  1 ? 2  
ATOM   448  O  OG1 . THR A 1 59  ? 13.413  -8.803  0.988   1.000 47.394  0 59  THR AAA OG1 1 ? 2  
ATOM   449  C  CG2 . THR A 1 59  ? 11.267  -9.852  1.377   1.000 47.946  0 59  THR AAA CG2 1 ? 2  
ATOM   450  N  N   . TYR A 1 60  ? 10.447  -8.935  4.430   1.000 50.226  0 60  TYR AAA N   1 ? 2  
ATOM   451  C  CA  . TYR A 1 60  ? 9.596   -9.524  5.496   1.000 52.713  0 60  TYR AAA CA  1 ? 2  
ATOM   452  C  C   . TYR A 1 60  ? 8.343   -10.113 4.864   1.000 51.795  0 60  TYR AAA C   1 ? 2  
ATOM   453  O  O   . TYR A 1 60  ? 7.839   -9.491  3.936   1.000 51.944  0 60  TYR AAA O   1 ? 2  
ATOM   454  C  CB  . TYR A 1 60  ? 9.190   -8.452  6.509   1.000 54.074  0 60  TYR AAA CB  1 ? 2  
ATOM   455  C  CG  . TYR A 1 60  ? 10.323  -7.586  7.007   1.000 55.199  0 60  TYR AAA CG  1 ? 2  
ATOM   456  C  CD1 . TYR A 1 60  ? 11.050  -7.946  8.132   1.000 54.759  0 60  TYR AAA CD1 1 ? 2  
ATOM   457  C  CD2 . TYR A 1 60  ? 10.655  -6.394  6.376   1.000 55.628  0 60  TYR AAA CD2 1 ? 2  
ATOM   458  C  CE1 . TYR A 1 60  ? 12.082  -7.156  8.616   1.000 55.094  0 60  TYR AAA CE1 1 ? 2  
ATOM   459  C  CE2 . TYR A 1 60  ? 11.689  -5.596  6.843   1.000 57.429  0 60  TYR AAA CE2 1 ? 2  
ATOM   460  C  CZ  . TYR A 1 60  ? 12.406  -5.978  7.970   1.000 57.134  0 60  TYR AAA CZ  1 ? 2  
ATOM   461  O  OH  . TYR A 1 60  ? 13.431  -5.213  8.448   1.000 58.542  0 60  TYR AAA OH  1 ? 2  
ATOM   462  N  N   . VAL A 1 61  ? 7.833   -11.223 5.395   1.000 51.696  0 61  VAL AAA N   1 ? 2  
ATOM   463  C  CA  . VAL A 1 61  ? 6.443   -11.681 5.099   1.000 53.198  0 61  VAL AAA CA  1 ? 2  
ATOM   464  C  C   . VAL A 1 61  ? 5.461   -10.675 5.718   1.000 56.949  0 61  VAL AAA C   1 ? 2  
ATOM   465  O  O   . VAL A 1 61  ? 5.843   -9.945  6.685   1.000 55.015  0 61  VAL AAA O   1 ? 2  
ATOM   466  C  CB  . VAL A 1 61  ? 6.174   -13.118 5.581   1.000 52.903  0 61  VAL AAA CB  1 ? 2  
ATOM   467  C  CG1 . VAL A 1 61  ? 7.158   -14.088 4.951   1.000 51.587  0 61  VAL AAA CG1 1 ? 2  
ATOM   468  C  CG2 . VAL A 1 61  ? 6.178   -13.246 7.101   1.000 53.148  0 61  VAL AAA CG2 1 ? 2  
ATOM   469  N  N   . ASP A 1 62  ? 4.240   -10.642 5.181   1.000 59.864  0 62  ASP AAA N   1 ? 2  
ATOM   470  C  CA  . ASP A 1 62  ? 3.226   -9.604  5.495   1.000 67.070  0 62  ASP AAA CA  1 ? 2  
ATOM   471  C  C   . ASP A 1 62  ? 2.850   -9.681  6.981   1.000 68.099  0 62  ASP AAA C   1 ? 2  
ATOM   472  O  O   . ASP A 1 62  ? 2.603   -8.626  7.570   1.000 71.444  0 62  ASP AAA O   1 ? 2  
ATOM   473  C  CB  . ASP A 1 62  ? 1.987   -9.741  4.606   1.000 73.023  0 62  ASP AAA CB  1 ? 2  
ATOM   474  C  CG  . ASP A 1 62  ? 1.592   -8.416  3.982   1.000 80.756  0 62  ASP AAA CG  1 ? 2  
ATOM   475  O  OD1 . ASP A 1 62  ? 2.387   -7.910  3.150   1.000 80.511  0 62  ASP AAA OD1 1 ? 2  
ATOM   476  O  OD2 . ASP A 1 62  ? 0.524   -7.877  4.366   1.000 86.041  0 62  ASP AAA OD2 1 ? 2  
ATOM   477  N  N   . SER A 1 63  ? 2.819   -10.883 7.563   1.000 67.069  0 63  SER AAA N   1 ? 2  
ATOM   478  C  CA  . SER A 1 63  ? 2.308   -11.140 8.936   1.000 69.921  0 63  SER AAA CA  1 ? 2  
ATOM   479  C  C   . SER A 1 63  ? 3.272   -10.595 9.998   1.000 68.983  0 63  SER AAA C   1 ? 2  
ATOM   480  O  O   . SER A 1 63  ? 2.840   -10.488 11.151  1.000 68.699  0 63  SER AAA O   1 ? 2  
ATOM   481  C  CB  . SER A 1 63  ? 2.044   -12.606 9.154   1.000 69.594  0 63  SER AAA CB  1 ? 2  
ATOM   482  O  OG  . SER A 1 63  ? 3.260   -13.334 9.165   1.000 69.137  0 63  SER AAA OG  1 ? 2  
ATOM   483  N  N   . VAL A 1 64  ? 4.527   -10.289 9.652   1.000 65.835  0 64  VAL AAA N   1 ? 2  
ATOM   484  C  CA  . VAL A 1 64  ? 5.524   -9.771  10.639  1.000 70.317  0 64  VAL AAA CA  1 ? 2  
ATOM   485  C  C   . VAL A 1 64  ? 5.995   -8.368  10.241  1.000 73.410  0 64  VAL AAA C   1 ? 2  
ATOM   486  O  O   . VAL A 1 64  ? 6.770   -7.777  11.029  1.000 74.239  0 64  VAL AAA O   1 ? 2  
ATOM   487  C  CB  . VAL A 1 64  ? 6.722   -10.724 10.808  1.000 67.448  0 64  VAL AAA CB  1 ? 2  
ATOM   488  C  CG1 . VAL A 1 64  ? 6.266   -12.151 11.099  1.000 66.857  0 64  VAL AAA CG1 1 ? 2  
ATOM   489  C  CG2 . VAL A 1 64  ? 7.667   -10.666 9.609   1.000 65.904  0 64  VAL AAA CG2 1 ? 2  
ATOM   490  N  N   . LYS A 1 65  ? 5.498   -7.839  9.119   1.000 78.517  0 65  LYS AAA N   1 ? 3  
ATOM   491  C  CA  . LYS A 1 65  ? 6.073   -6.661  8.415   1.000 85.803  0 65  LYS AAA CA  1 ? 3  
ATOM   492  C  C   . LYS A 1 65  ? 6.512   -5.598  9.435   1.000 88.688  0 65  LYS AAA C   1 ? 3  
ATOM   493  O  O   . LYS A 1 65  ? 7.747   -5.388  9.578   1.000 90.488  0 65  LYS AAA O   1 ? 3  
ATOM   494  C  CB  . LYS A 1 65  ? 5.081   -6.100  7.389   1.000 90.025  0 65  LYS AAA CB  1 ? 3  
ATOM   495  C  CG  . LYS A 1 65  ? 5.641   -4.960  6.554   1.000 95.617  0 65  LYS AAA CG  1 ? 3  
ATOM   496  C  CD  . LYS A 1 65  ? 4.865   -4.663  5.290   1.000 103.577 0 65  LYS AAA CD  1 ? 3  
ATOM   497  C  CE  . LYS A 1 65  ? 5.565   -3.637  4.420   1.000 106.535 0 65  LYS AAA CE  1 ? 3  
ATOM   498  N  NZ  . LYS A 1 65  ? 5.011   -3.600  3.045   1.000 109.678 0 65  LYS AAA NZ  1 ? 3  
ATOM   499  N  N   . ASP A 1 66  ? 5.558   -4.981  10.143  1.000 86.334  0 66  ASP AAA N   1 ? 3  
ATOM   500  C  CA  . ASP A 1 66  ? 5.803   -3.751  10.949  1.000 88.841  0 66  ASP AAA CA  1 ? 3  
ATOM   501  C  C   . ASP A 1 66  ? 6.346   -4.086  12.350  1.000 82.123  0 66  ASP AAA C   1 ? 3  
ATOM   502  O  O   . ASP A 1 66  ? 6.928   -3.188  12.980  1.000 81.778  0 66  ASP AAA O   1 ? 3  
ATOM   503  C  CB  . ASP A 1 66  ? 4.538   -2.893  11.009  1.000 94.602  0 66  ASP AAA CB  1 ? 3  
ATOM   504  C  CG  . ASP A 1 66  ? 4.278   -2.115  9.730   1.000 100.036 0 66  ASP AAA CG  1 ? 3  
ATOM   505  O  OD1 . ASP A 1 66  ? 5.265   -1.687  9.086   1.000 100.385 0 66  ASP AAA OD1 1 ? 3  
ATOM   506  O  OD2 . ASP A 1 66  ? 3.094   -1.940  9.386   1.000 104.164 0 66  ASP AAA OD2 1 ? 3  
ATOM   507  N  N   . ARG A 1 67  ? 6.195   -5.329  12.804  1.000 74.276  0 67  ARG AAA N   1 ? 3  
ATOM   508  C  CA  . ARG A 1 67  ? 6.574   -5.785  14.164  1.000 71.653  0 67  ARG AAA CA  1 ? 3  
ATOM   509  C  C   . ARG A 1 67  ? 8.043   -6.232  14.159  1.000 68.867  0 67  ARG AAA C   1 ? 3  
ATOM   510  O  O   . ARG A 1 67  ? 8.730   -6.033  15.175  1.000 65.910  0 67  ARG AAA O   1 ? 3  
ATOM   511  C  CB  . ARG A 1 67  ? 5.625   -6.908  14.600  1.000 72.272  0 67  ARG AAA CB  1 ? 3  
ATOM   512  C  CG  . ARG A 1 67  ? 4.155   -6.609  14.336  1.000 74.159  0 67  ARG AAA CG  1 ? 3  
ATOM   513  C  CD  . ARG A 1 67  ? 3.192   -7.627  14.920  1.000 75.494  0 67  ARG AAA CD  1 ? 3  
ATOM   514  N  NE  . ARG A 1 67  ? 3.193   -8.911  14.222  1.000 73.735  0 67  ARG AAA NE  1 ? 3  
ATOM   515  C  CZ  . ARG A 1 67  ? 3.786   -10.027 14.648  1.000 72.389  0 67  ARG AAA CZ  1 ? 3  
ATOM   516  N  NH1 . ARG A 1 67  ? 4.450   -10.053 15.793  1.000 73.664  0 67  ARG AAA NH1 1 ? 3  
ATOM   517  N  NH2 . ARG A 1 67  ? 3.713   -11.126 13.918  1.000 70.410  0 67  ARG AAA NH2 1 ? 3  
ATOM   518  N  N   . PHE A 1 68  ? 8.516   -6.829  13.060  1.000 66.346  0 68  PHE AAA N   1 ? 3  
ATOM   519  C  CA  . PHE A 1 68  ? 9.880   -7.412  12.953  1.000 62.087  0 68  PHE AAA CA  1 ? 3  
ATOM   520  C  C   . PHE A 1 68  ? 10.769  -6.465  12.143  1.000 61.050  0 68  PHE AAA C   1 ? 3  
ATOM   521  O  O   . PHE A 1 68  ? 10.319  -5.947  11.066  1.000 61.383  0 68  PHE AAA O   1 ? 3  
ATOM   522  C  CB  . PHE A 1 68  ? 9.860   -8.794  12.292  1.000 61.507  0 68  PHE AAA CB  1 ? 3  
ATOM   523  C  CG  . PHE A 1 68  ? 9.333   -9.954  13.103  1.000 61.520  0 68  PHE AAA CG  1 ? 3  
ATOM   524  C  CD1 . PHE A 1 68  ? 8.495   -9.778  14.196  1.000 64.225  0 68  PHE AAA CD1 1 ? 3  
ATOM   525  C  CD2 . PHE A 1 68  ? 9.637   -11.255 12.719  1.000 62.572  0 68  PHE AAA CD2 1 ? 3  
ATOM   526  C  CE1 . PHE A 1 68  ? 8.008   -10.869 14.905  1.000 64.792  0 68  PHE AAA CE1 1 ? 3  
ATOM   527  C  CE2 . PHE A 1 68  ? 9.153   -12.346 13.430  1.000 64.139  0 68  PHE AAA CE2 1 ? 3  
ATOM   528  C  CZ  . PHE A 1 68  ? 8.341   -12.152 14.528  1.000 64.629  0 68  PHE AAA CZ  1 ? 3  
ATOM   529  N  N   . THR A 1 69  ? 12.000  -6.275  12.627  1.000 59.197  0 69  THR AAA N   1 ? 3  
ATOM   530  C  CA  . THR A 1 69  ? 13.103  -5.563  11.930  1.000 60.056  0 69  THR AAA CA  1 ? 3  
ATOM   531  C  C   . THR A 1 69  ? 14.331  -6.470  11.912  1.000 57.985  0 69  THR AAA C   1 ? 3  
ATOM   532  O  O   . THR A 1 69  ? 14.720  -6.972  12.980  1.000 55.429  0 69  THR AAA O   1 ? 3  
ATOM   533  C  CB  . THR A 1 69  ? 13.436  -4.219  12.585  1.000 62.128  0 69  THR AAA CB  1 ? 3  
ATOM   534  O  OG1 . THR A 1 69  ? 12.239  -3.442  12.578  1.000 64.134  0 69  THR AAA OG1 1 ? 3  
ATOM   535  C  CG2 . THR A 1 69  ? 14.540  -3.473  11.867  1.000 63.898  0 69  THR AAA CG2 1 ? 3  
ATOM   536  N  N   . ILE A 1 70  ? 14.888  -6.685  10.722  1.000 57.619  0 70  ILE AAA N   1 ? 3  
ATOM   537  C  CA  . ILE A 1 70  ? 16.163  -7.431  10.534  1.000 57.908  0 70  ILE AAA CA  1 ? 3  
ATOM   538  C  C   . ILE A 1 70  ? 17.246  -6.398  10.231  1.000 59.540  0 70  ILE AAA C   1 ? 3  
ATOM   539  O  O   . ILE A 1 70  ? 16.941  -5.405  9.567   1.000 64.258  0 70  ILE AAA O   1 ? 3  
ATOM   540  C  CB  . ILE A 1 70  ? 16.036  -8.522  9.446   1.000 57.179  0 70  ILE AAA CB  1 ? 3  
ATOM   541  C  CG1 . ILE A 1 70  ? 17.224  -9.490  9.505   1.000 56.516  0 70  ILE AAA CG1 1 ? 3  
ATOM   542  C  CG2 . ILE A 1 70  ? 15.842  -7.920  8.057   1.000 59.255  0 70  ILE AAA CG2 1 ? 3  
ATOM   543  C  CD1 . ILE A 1 70  ? 17.087  -10.693 8.588   1.000 59.681  0 70  ILE AAA CD1 1 ? 3  
ATOM   544  N  N   . SER A 1 71  ? 18.452  -6.603  10.746  1.000 59.984  0 71  SER AAA N   1 ? 3  
ATOM   545  C  CA  . SER A 1 71  ? 19.600  -5.685  10.540  1.000 62.307  0 71  SER AAA CA  1 ? 3  
ATOM   546  C  C   . SER A 1 71  ? 20.899  -6.447  10.794  1.000 60.964  0 71  SER AAA C   1 ? 3  
ATOM   547  O  O   . SER A 1 71  ? 20.843  -7.622  11.232  1.000 58.991  0 71  SER AAA O   1 ? 3  
ATOM   548  C  CB  . SER A 1 71  ? 19.484  -4.455  11.408  1.000 64.851  0 71  SER AAA CB  1 ? 3  
ATOM   549  O  OG  . SER A 1 71  ? 19.455  -4.812  12.784  1.000 64.227  0 71  SER AAA OG  1 ? 3  
ATOM   550  N  N   . ARG A 1 72  ? 22.018  -5.805  10.489  1.000 63.018  0 72  ARG AAA N   1 ? 3  
ATOM   551  C  CA  . ARG A 1 72  ? 23.360  -6.392  10.667  1.000 65.592  0 72  ARG AAA CA  1 ? 3  
ATOM   552  C  C   . ARG A 1 72  ? 24.240  -5.354  11.360  1.000 69.774  0 72  ARG AAA C   1 ? 3  
ATOM   553  O  O   . ARG A 1 72  ? 24.114  -4.166  11.024  1.000 67.943  0 72  ARG AAA O   1 ? 3  
ATOM   554  C  CB  . ARG A 1 72  ? 23.931  -6.814  9.315   1.000 66.731  0 72  ARG AAA CB  1 ? 3  
ATOM   555  C  CG  . ARG A 1 72  ? 25.223  -7.607  9.428   1.000 68.686  0 72  ARG AAA CG  1 ? 3  
ATOM   556  C  CD  . ARG A 1 72  ? 25.619  -8.253  8.117   1.000 70.255  0 72  ARG AAA CD  1 ? 3  
ATOM   557  N  NE  . ARG A 1 72  ? 27.042  -8.546  8.096   1.000 73.979  0 72  ARG AAA NE  1 ? 3  
ATOM   558  C  CZ  . ARG A 1 72  ? 27.994  -7.653  7.836   1.000 78.187  0 72  ARG AAA CZ  1 ? 3  
ATOM   559  N  NH1 . ARG A 1 72  ? 27.680  -6.396  7.562   1.000 77.651  0 72  ARG AAA NH1 1 ? 3  
ATOM   560  N  NH2 . ARG A 1 72  ? 29.263  -8.023  7.850   1.000 82.560  0 72  ARG AAA NH2 1 ? 3  
ATOM   561  N  N   . HIS A 1 73  ? 25.059  -5.804  12.313  1.000 75.318  0 73  HIS AAA N   1 ? 3  
ATOM   562  C  CA  . HIS A 1 73  ? 26.175  -5.027  12.910  1.000 82.226  0 73  HIS AAA CA  1 ? 3  
ATOM   563  C  C   . HIS A 1 73  ? 27.480  -5.567  12.311  1.000 83.686  0 73  HIS AAA C   1 ? 3  
ATOM   564  O  O   . HIS A 1 73  ? 27.762  -6.781  12.450  1.000 79.036  0 73  HIS AAA O   1 ? 3  
ATOM   565  C  CB  . HIS A 1 73  ? 26.097  -5.050  14.444  1.000 86.233  0 73  HIS AAA CB  1 ? 3  
ATOM   566  C  CG  . HIS A 1 73  ? 26.685  -3.847  15.105  1.000 92.770  0 73  HIS AAA CG  1 ? 3  
ATOM   567  N  ND1 . HIS A 1 73  ? 25.960  -2.685  15.302  1.000 95.898  0 73  HIS AAA ND1 1 ? 3  
ATOM   568  C  CD2 . HIS A 1 73  ? 27.913  -3.622  15.628  1.000 97.125  0 73  HIS AAA CD2 1 ? 3  
ATOM   569  C  CE1 . HIS A 1 73  ? 26.717  -1.795  15.918  1.000 98.590  0 73  HIS AAA CE1 1 ? 3  
ATOM   570  N  NE2 . HIS A 1 73  ? 27.921  -2.346  16.128  1.000 99.339  0 73  HIS AAA NE2 1 ? 3  
ATOM   571  N  N   . ASN A 1 74  ? 28.216  -4.685  11.630  1.000 88.956  0 74  ASN AAA N   1 ? 3  
ATOM   572  C  CA  . ASN A 1 74  ? 29.398  -5.011  10.794  1.000 92.174  0 74  ASN AAA CA  1 ? 3  
ATOM   573  C  C   . ASN A 1 74  ? 30.492  -5.610  11.685  1.000 94.243  0 74  ASN AAA C   1 ? 3  
ATOM   574  O  O   . ASN A 1 74  ? 30.979  -6.713  11.350  1.000 92.307  0 74  ASN AAA O   1 ? 3  
ATOM   575  C  CB  . ASN A 1 74  ? 29.894  -3.767  10.054  1.000 95.903  0 74  ASN AAA CB  1 ? 3  
ATOM   576  C  CG  . ASN A 1 74  ? 30.684  -4.105  8.811   1.000 97.884  0 74  ASN AAA CG  1 ? 3  
ATOM   577  O  OD1 . ASN A 1 74  ? 30.113  -4.534  7.812   1.000 97.752  0 74  ASN AAA OD1 1 ? 3  
ATOM   578  N  ND2 . ASN A 1 74  ? 31.991  -3.906  8.859   1.000 102.163 0 74  ASN AAA ND2 1 ? 3  
ATOM   579  N  N   . ALA A 1 75  ? 30.819  -4.911  12.782  1.000 95.118  0 75  ALA AAA N   1 ? 3  
ATOM   580  C  CA  . ALA A 1 75  ? 31.952  -5.183  13.700  1.000 98.685  0 75  ALA AAA CA  1 ? 3  
ATOM   581  C  C   . ALA A 1 75  ? 31.989  -6.665  14.095  1.000 97.589  0 75  ALA AAA C   1 ? 3  
ATOM   582  O  O   . ALA A 1 75  ? 33.077  -7.271  13.994  1.000 98.108  0 75  ALA AAA O   1 ? 3  
ATOM   583  C  CB  . ALA A 1 75  ? 31.853  -4.297  14.921  1.000 99.932  0 75  ALA AAA CB  1 ? 3  
ATOM   584  N  N   . ASN A 1 76  ? 30.842  -7.215  14.518  1.000 95.824  0 76  ASN AAA N   1 ? 3  
ATOM   585  C  CA  . ASN A 1 76  ? 30.715  -8.583  15.101  1.000 93.809  0 76  ASN AAA CA  1 ? 3  
ATOM   586  C  C   . ASN A 1 76  ? 30.084  -9.550  14.083  1.000 88.378  0 76  ASN AAA C   1 ? 3  
ATOM   587  O  O   . ASN A 1 76  ? 29.832  -10.705 14.469  1.000 85.663  0 76  ASN AAA O   1 ? 3  
ATOM   588  C  CB  . ASN A 1 76  ? 29.948  -8.562  16.432  1.000 92.558  0 76  ASN AAA CB  1 ? 3  
ATOM   589  C  CG  . ASN A 1 76  ? 28.506  -8.108  16.314  1.000 91.123  0 76  ASN AAA CG  1 ? 3  
ATOM   590  O  OD1 . ASN A 1 76  ? 28.069  -7.625  15.270  1.000 90.153  0 76  ASN AAA OD1 1 ? 3  
ATOM   591  N  ND2 . ASN A 1 76  ? 27.751  -8.258  17.388  1.000 92.439  0 76  ASN AAA ND2 1 ? 3  
ATOM   592  N  N   . ASN A 1 77  ? 29.839  -9.107  12.842  1.000 85.749  0 77  ASN AAA N   1 ? 3  
ATOM   593  C  CA  . ASN A 1 77  ? 29.417  -9.975  11.706  1.000 81.801  0 77  ASN AAA CA  1 ? 3  
ATOM   594  C  C   . ASN A 1 77  ? 28.147  -10.746 12.102  1.000 75.606  0 77  ASN AAA C   1 ? 3  
ATOM   595  O  O   . ASN A 1 77  ? 28.073  -11.988 11.905  1.000 72.564  0 77  ASN AAA O   1 ? 3  
ATOM   596  C  CB  . ASN A 1 77  ? 30.566  -10.897 11.297  1.000 86.297  0 77  ASN AAA CB  1 ? 3  
ATOM   597  C  CG  . ASN A 1 77  ? 30.702  -11.039 9.798   1.000 89.480  0 77  ASN AAA CG  1 ? 3  
ATOM   598  O  OD1 . ASN A 1 77  ? 29.730  -10.907 9.053   1.000 92.683  0 77  ASN AAA OD1 1 ? 3  
ATOM   599  N  ND2 . ASN A 1 77  ? 31.913  -11.318 9.349   1.000 93.787  0 77  ASN AAA ND2 1 ? 3  
ATOM   600  N  N   . THR A 1 78  ? 27.186  -10.031 12.682  1.000 70.688  0 78  THR AAA N   1 ? 3  
ATOM   601  C  CA  . THR A 1 78  ? 26.012  -10.620 13.361  1.000 67.740  0 78  THR AAA CA  1 ? 3  
ATOM   602  C  C   . THR A 1 78  ? 24.761  -9.950  12.810  1.000 65.117  0 78  THR AAA C   1 ? 3  
ATOM   603  O  O   . THR A 1 78  ? 24.727  -8.705  12.743  1.000 64.678  0 78  THR AAA O   1 ? 3  
ATOM   604  C  CB  . THR A 1 78  ? 26.102  -10.485 14.886  1.000 69.069  0 78  THR AAA CB  1 ? 3  
ATOM   605  O  OG1 . THR A 1 78  ? 27.168  -11.312 15.362  1.000 69.341  0 78  THR AAA OG1 1 ? 3  
ATOM   606  C  CG2 . THR A 1 78  ? 24.806  -10.867 15.570  1.000 67.826  0 78  THR AAA CG2 1 ? 3  
ATOM   607  N  N   . VAL A 1 79  ? 23.781  -10.764 12.438  1.000 61.828  0 79  VAL AAA N   1 ? 3  
ATOM   608  C  CA  . VAL A 1 79  ? 22.471  -10.288 11.926  1.000 61.865  0 79  VAL AAA CA  1 ? 3  
ATOM   609  C  C   . VAL A 1 79  ? 21.456  -10.424 13.060  1.000 60.716  0 79  VAL AAA C   1 ? 3  
ATOM   610  O  O   . VAL A 1 79  ? 21.403  -11.506 13.680  1.000 59.966  0 79  VAL AAA O   1 ? 3  
ATOM   611  C  CB  . VAL A 1 79  ? 22.056  -11.064 10.664  1.000 59.565  0 79  VAL AAA CB  1 ? 3  
ATOM   612  C  CG1 . VAL A 1 79  ? 20.607  -10.799 10.307  1.000 59.663  0 79  VAL AAA CG1 1 ? 3  
ATOM   613  C  CG2 . VAL A 1 79  ? 22.986  -10.744 9.505   1.000 61.169  0 79  VAL AAA CG2 1 ? 3  
ATOM   614  N  N   . TYR A 1 80  ? 20.676  -9.367  13.285  1.000 60.977  0 80  TYR AAA N   1 ? 3  
ATOM   615  C  CA  . TYR A 1 80  ? 19.683  -9.278  14.380  1.000 64.012  0 80  TYR AAA CA  1 ? 3  
ATOM   616  C  C   . TYR A 1 80  ? 18.277  -9.265  13.791  1.000 62.070  0 80  TYR AAA C   1 ? 3  
ATOM   617  O  O   . TYR A 1 80  ? 18.043  -8.642  12.745  1.000 59.874  0 80  TYR AAA O   1 ? 3  
ATOM   618  C  CB  . TYR A 1 80  ? 19.944  -8.043  15.241  1.000 67.290  0 80  TYR AAA CB  1 ? 3  
ATOM   619  C  CG  . TYR A 1 80  ? 21.285  -8.069  15.923  1.000 71.176  0 80  TYR AAA CG  1 ? 3  
ATOM   620  C  CD1 . TYR A 1 80  ? 21.479  -8.796  17.089  1.000 74.598  0 80  TYR AAA CD1 1 ? 3  
ATOM   621  C  CD2 . TYR A 1 80  ? 22.370  -7.388  15.391  1.000 73.186  0 80  TYR AAA CD2 1 ? 3  
ATOM   622  C  CE1 . TYR A 1 80  ? 22.711  -8.825  17.723  1.000 77.484  0 80  TYR AAA CE1 1 ? 3  
ATOM   623  C  CE2 . TYR A 1 80  ? 23.610  -7.416  16.005  1.000 77.707  0 80  TYR AAA CE2 1 ? 3  
ATOM   624  C  CZ  . TYR A 1 80  ? 23.778  -8.128  17.181  1.000 79.400  0 80  TYR AAA CZ  1 ? 3  
ATOM   625  O  OH  . TYR A 1 80  ? 25.001  -8.158  17.777  1.000 82.081  0 80  TYR AAA OH  1 ? 3  
ATOM   626  N  N   . LEU A 1 81  ? 17.371  -9.961  14.469  1.000 62.103  0 81  LEU AAA N   1 ? 3  
ATOM   627  C  CA  . LEU A 1 81  ? 15.917  -9.902  14.201  1.000 60.255  0 81  LEU AAA CA  1 ? 3  
ATOM   628  C  C   . LEU A 1 81  ? 15.256  -9.364  15.464  1.000 61.874  0 81  LEU AAA C   1 ? 3  
ATOM   629  O  O   . LEU A 1 81  ? 15.161  -10.118 16.447  1.000 61.527  0 81  LEU AAA O   1 ? 3  
ATOM   630  C  CB  . LEU A 1 81  ? 15.407  -11.297 13.827  1.000 59.703  0 81  LEU AAA CB  1 ? 3  
ATOM   631  C  CG  . LEU A 1 81  ? 13.964  -11.339 13.330  1.000 58.769  0 81  LEU AAA CG  1 ? 3  
ATOM   632  C  CD1 . LEU A 1 81  ? 13.815  -10.579 12.021  1.000 59.316  0 81  LEU AAA CD1 1 ? 3  
ATOM   633  C  CD2 . LEU A 1 81  ? 13.495  -12.771 13.182  1.000 57.839  0 81  LEU AAA CD2 1 ? 3  
ATOM   634  N  N   . GLN A 1 82  ? 14.905  -8.080  15.447  1.000 64.679  0 82  GLN AAA N   1 ? 3  
ATOM   635  C  CA  . GLN A 1 82  ? 14.154  -7.404  16.532  1.000 67.714  0 82  GLN AAA CA  1 ? 3  
ATOM   636  C  C   . GLN A 1 82  ? 12.677  -7.708  16.280  1.000 69.878  0 82  GLN AAA C   1 ? 3  
ATOM   637  O  O   . GLN A 1 82  ? 12.168  -7.295  15.204  1.000 67.788  0 82  GLN AAA O   1 ? 3  
ATOM   638  C  CB  . GLN A 1 82  ? 14.480  -5.908  16.542  1.000 70.973  0 82  GLN AAA CB  1 ? 3  
ATOM   639  C  CG  . GLN A 1 82  ? 13.818  -5.131  17.666  1.000 72.959  0 82  GLN AAA CG  1 ? 3  
ATOM   640  C  CD  . GLN A 1 82  ? 14.239  -5.638  19.026  1.000 76.515  0 82  GLN AAA CD  1 ? 3  
ATOM   641  O  OE1 . GLN A 1 82  ? 15.410  -5.934  19.276  1.000 74.137  0 82  GLN AAA OE1 1 ? 3  
ATOM   642  N  NE2 . GLN A 1 82  ? 13.265  -5.767  19.913  1.000 77.646  0 82  GLN AAA NE2 1 ? 3  
ATOM   643  N  N   . MET A 1 83  ? 12.067  -8.489  17.180  1.000 69.286  0 83  MET AAA N   1 ? 3  
ATOM   644  C  CA  . MET A 1 83  ? 10.651  -8.947  17.130  1.000 70.949  0 83  MET AAA CA  1 ? 3  
ATOM   645  C  C   . MET A 1 83  ? 9.864   -8.194  18.213  1.000 75.318  0 83  MET AAA C   1 ? 3  
ATOM   646  O  O   . MET A 1 83  ? 10.077  -8.486  19.405  1.000 73.365  0 83  MET AAA O   1 ? 3  
ATOM   647  C  CB  . MET A 1 83  ? 10.554  -10.459 17.374  1.000 72.344  0 83  MET AAA CB  1 ? 3  
ATOM   648  C  CG  . MET A 1 83  ? 11.482  -11.282 16.484  1.000 72.813  0 83  MET AAA CG  1 ? 3  
ATOM   649  S  SD  . MET A 1 83  ? 11.216  -13.079 16.576  1.000 77.339  0 83  MET AAA SD  1 ? 3  
ATOM   650  C  CE  . MET A 1 83  ? 11.508  -13.379 18.317  1.000 80.911  0 83  MET AAA CE  1 ? 3  
ATOM   651  N  N   . ASN A 1 84  ? 9.017   -7.244  17.806  1.000 73.879  0 84  ASN AAA N   1 ? 3  
ATOM   652  C  CA  . ASN A 1 84  ? 8.207   -6.384  18.706  1.000 77.319  0 84  ASN AAA CA  1 ? 3  
ATOM   653  C  C   . ASN A 1 84  ? 6.741   -6.820  18.599  1.000 79.574  0 84  ASN AAA C   1 ? 3  
ATOM   654  O  O   . ASN A 1 84  ? 6.440   -7.677  17.731  1.000 72.983  0 84  ASN AAA O   1 ? 3  
ATOM   655  C  CB  . ASN A 1 84  ? 8.429   -4.903  18.380  1.000 78.058  0 84  ASN AAA CB  1 ? 3  
ATOM   656  C  CG  . ASN A 1 84  ? 9.801   -4.408  18.803  1.000 78.382  0 84  ASN AAA CG  1 ? 3  
ATOM   657  O  OD1 . ASN A 1 84  ? 10.606  -5.158  19.355  1.000 77.058  0 84  ASN AAA OD1 1 ? 3  
ATOM   658  N  ND2 . ASN A 1 84  ? 10.075  -3.136  18.577  1.000 81.065  0 84  ASN AAA ND2 1 ? 3  
ATOM   659  N  N   . MET A 1 85  ? 5.881   -6.275  19.466  1.000 80.597  0 85  MET AAA N   1 ? 3  
ATOM   660  C  CA  . MET A 1 85  ? 4.417   -6.554  19.526  1.000 84.500  0 85  MET AAA CA  1 ? 3  
ATOM   661  C  C   . MET A 1 85  ? 4.167   -8.044  19.243  1.000 79.946  0 85  MET AAA C   1 ? 3  
ATOM   662  O  O   . MET A 1 85  ? 3.305   -8.357  18.408  1.000 81.305  0 85  MET AAA O   1 ? 3  
ATOM   663  C  CB  . MET A 1 85  ? 3.644   -5.687  18.518  1.000 89.561  0 85  MET AAA CB  1 ? 3  
ATOM   664  C  CG  . MET A 1 85  ? 3.561   -4.197  18.883  1.000 96.618  0 85  MET AAA CG  1 ? 3  
ATOM   665  S  SD  . MET A 1 85  ? 2.705   -3.818  20.476  1.000 110.245 0 85  MET AAA SD  1 ? 3  
ATOM   666  C  CE  . MET A 1 85  ? 1.071   -4.510  20.210  1.000 107.112 0 85  MET AAA CE  1 ? 3  
ATOM   667  N  N   . LEU A 1 86  ? 4.896   -8.937  19.914  1.000 76.312  0 86  LEU AAA N   1 ? 3  
ATOM   668  C  CA  . LEU A 1 86  ? 4.799   -10.402 19.677  1.000 74.183  0 86  LEU AAA CA  1 ? 3  
ATOM   669  C  C   . LEU A 1 86  ? 3.383   -10.881 20.004  1.000 76.185  0 86  LEU AAA C   1 ? 3  
ATOM   670  O  O   . LEU A 1 86  ? 2.805   -10.396 20.996  1.000 79.515  0 86  LEU AAA O   1 ? 3  
ATOM   671  C  CB  . LEU A 1 86  ? 5.839   -11.146 20.522  1.000 73.337  0 86  LEU AAA CB  1 ? 3  
ATOM   672  C  CG  . LEU A 1 86  ? 7.238   -11.230 19.916  1.000 70.860  0 86  LEU AAA CG  1 ? 3  
ATOM   673  C  CD1 . LEU A 1 86  ? 8.266   -11.614 20.969  1.000 72.552  0 86  LEU AAA CD1 1 ? 3  
ATOM   674  C  CD2 . LEU A 1 86  ? 7.275   -12.220 18.760  1.000 67.860  0 86  LEU AAA CD2 1 ? 3  
ATOM   675  N  N   . LYS A 1 87  ? 2.866   -11.816 19.201  1.000 75.709  0 87  LYS AAA N   1 ? 3  
ATOM   676  C  CA  . LYS A 1 87  ? 1.565   -12.496 19.416  1.000 78.341  0 87  LYS AAA CA  1 ? 3  
ATOM   677  C  C   . LYS A 1 87  ? 1.815   -13.974 19.710  1.000 78.896  0 87  LYS AAA C   1 ? 3  
ATOM   678  O  O   . LYS A 1 87  ? 2.909   -14.486 19.459  1.000 74.778  0 87  LYS AAA O   1 ? 3  
ATOM   679  C  CB  . LYS A 1 87  ? 0.687   -12.306 18.179  1.000 81.136  0 87  LYS AAA CB  1 ? 3  
ATOM   680  C  CG  . LYS A 1 87  ? 0.348   -10.859 17.860  1.000 84.033  0 87  LYS AAA CG  1 ? 3  
ATOM   681  C  CD  . LYS A 1 87  ? -0.220  -10.679 16.474  1.000 86.871  0 87  LYS AAA CD  1 ? 3  
ATOM   682  C  CE  . LYS A 1 87  ? -0.284  -9.221  16.074  1.000 89.295  0 87  LYS AAA CE  1 ? 3  
ATOM   683  N  NZ  . LYS A 1 87  ? -0.744  -9.057  14.676  1.000 91.026  0 87  LYS AAA NZ  1 ? 3  
ATOM   684  N  N   . PRO A 1 88  ? 0.814   -14.702 20.262  1.000 81.947  0 88  PRO AAA N   1 ? 3  
ATOM   685  C  CA  . PRO A 1 88  ? 0.914   -16.153 20.439  1.000 82.813  0 88  PRO AAA CA  1 ? 3  
ATOM   686  C  C   . PRO A 1 88  ? 1.246   -16.932 19.154  1.000 81.389  0 88  PRO AAA C   1 ? 3  
ATOM   687  O  O   . PRO A 1 88  ? 1.829   -17.994 19.282  1.000 82.132  0 88  PRO AAA O   1 ? 3  
ATOM   688  C  CB  . PRO A 1 88  ? -0.481  -16.556 20.941  1.000 86.224  0 88  PRO AAA CB  1 ? 3  
ATOM   689  C  CG  . PRO A 1 88  ? -1.014  -15.302 21.603  1.000 87.945  0 88  PRO AAA CG  1 ? 3  
ATOM   690  C  CD  . PRO A 1 88  ? -0.454  -14.162 20.778  1.000 84.949  0 88  PRO AAA CD  1 ? 3  
ATOM   691  N  N   . GLU A 1 89  ? 0.865   -16.398 17.983  1.000 80.264  0 89  GLU AAA N   1 ? 3  
ATOM   692  C  CA  . GLU A 1 89  ? 1.097   -16.998 16.635  1.000 80.467  0 89  GLU AAA CA  1 ? 3  
ATOM   693  C  C   . GLU A 1 89  ? 2.598   -17.133 16.368  1.000 77.738  0 89  GLU AAA C   1 ? 3  
ATOM   694  O  O   . GLU A 1 89  ? 2.987   -18.071 15.644  1.000 81.816  0 89  GLU AAA O   1 ? 3  
ATOM   695  C  CB  . GLU A 1 89  ? 0.580   -16.116 15.498  1.000 82.087  0 89  GLU AAA CB  1 ? 3  
ATOM   696  C  CG  . GLU A 1 89  ? -0.843  -15.617 15.656  1.000 87.800  0 89  GLU AAA CG  1 ? 3  
ATOM   697  C  CD  . GLU A 1 89  ? -1.122  -14.401 14.790  1.000 89.124  0 89  GLU AAA CD  1 ? 3  
ATOM   698  O  OE1 . GLU A 1 89  ? -0.387  -14.206 13.803  1.000 89.051  0 89  GLU AAA OE1 1 ? 3  
ATOM   699  O  OE2 . GLU A 1 89  ? -2.057  -13.644 15.111  1.000 96.840  0 89  GLU AAA OE2 1 ? 3  
ATOM   700  N  N   . ASP A 1 90  ? 3.398   -16.206 16.908  1.000 66.016  0 90  ASP AAA N   1 ? 4  
ATOM   701  C  CA  . ASP A 1 90  ? 4.865   -16.121 16.688  1.000 63.134  0 90  ASP AAA CA  1 ? 4  
ATOM   702  C  C   . ASP A 1 90  ? 5.610   -17.205 17.481  1.000 63.047  0 90  ASP AAA C   1 ? 4  
ATOM   703  O  O   . ASP A 1 90  ? 6.841   -17.265 17.352  1.000 62.941  0 90  ASP AAA O   1 ? 4  
ATOM   704  C  CB  . ASP A 1 90  ? 5.392   -14.731 17.063  1.000 62.525  0 90  ASP AAA CB  1 ? 4  
ATOM   705  C  CG  . ASP A 1 90  ? 4.736   -13.602 16.286  1.000 63.484  0 90  ASP AAA CG  1 ? 4  
ATOM   706  O  OD1 . ASP A 1 90  ? 4.765   -13.651 15.016  1.000 59.744  0 90  ASP AAA OD1 1 ? 4  
ATOM   707  O  OD2 . ASP A 1 90  ? 4.188   -12.687 16.948  1.000 64.240  0 90  ASP AAA OD2 1 ? 4  
ATOM   708  N  N   . THR A 1 91  ? 4.926   -17.992 18.321  1.000 66.636  0 91  THR AAA N   1 ? 4  
ATOM   709  C  CA  . THR A 1 91  ? 5.549   -19.122 19.065  1.000 66.118  0 91  THR AAA CA  1 ? 4  
ATOM   710  C  C   . THR A 1 91  ? 6.068   -20.136 18.038  1.000 66.483  0 91  THR AAA C   1 ? 4  
ATOM   711  O  O   . THR A 1 91  ? 5.264   -20.584 17.170  1.000 63.140  0 91  THR AAA O   1 ? 4  
ATOM   712  C  CB  . THR A 1 91  ? 4.599   -19.742 20.099  1.000 68.292  0 91  THR AAA CB  1 ? 4  
ATOM   713  O  OG1 . THR A 1 91  ? 4.439   -18.800 21.160  1.000 68.110  0 91  THR AAA OG1 1 ? 4  
ATOM   714  C  CG2 . THR A 1 91  ? 5.118   -21.040 20.679  1.000 69.421  0 91  THR AAA CG2 1 ? 4  
ATOM   715  N  N   . ALA A 1 92  ? 7.358   -20.467 18.124  1.000 63.701  0 92  ALA AAA N   1 ? 4  
ATOM   716  C  CA  . ALA A 1 92  ? 8.045   -21.400 17.205  1.000 64.064  0 92  ALA AAA CA  1 ? 4  
ATOM   717  C  C   . ALA A 1 92  ? 9.514   -21.524 17.620  1.000 64.634  0 92  ALA AAA C   1 ? 4  
ATOM   718  O  O   . ALA A 1 92  ? 9.976   -20.688 18.506  1.000 64.446  0 92  ALA AAA O   1 ? 4  
ATOM   719  C  CB  . ALA A 1 92  ? 7.938   -20.895 15.781  1.000 63.111  0 92  ALA AAA CB  1 ? 4  
ATOM   720  N  N   . ILE A 1 93  ? 10.199  -22.530 17.033  1.000 62.890  0 93  ILE AAA N   1 ? 4  
ATOM   721  C  CA  . ILE A 1 93  ? 11.686  -22.617 17.012  1.000 62.603  0 93  ILE AAA CA  1 ? 4  
ATOM   722  C  C   . ILE A 1 93  ? 12.144  -21.781 15.813  1.000 58.738  0 93  ILE AAA C   1 ? 4  
ATOM   723  O  O   . ILE A 1 93  ? 11.668  -22.061 14.685  1.000 57.065  0 93  ILE AAA O   1 ? 4  
ATOM   724  C  CB  . ILE A 1 93  ? 12.163  -24.084 16.941  1.000 64.554  0 93  ILE AAA CB  1 ? 4  
ATOM   725  C  CG1 . ILE A 1 93  ? 11.678  -24.906 18.140  1.000 69.272  0 93  ILE AAA CG1 1 ? 4  
ATOM   726  C  CG2 . ILE A 1 93  ? 13.673  -24.150 16.802  1.000 64.939  0 93  ILE AAA CG2 1 ? 4  
ATOM   727  C  CD1 . ILE A 1 93  ? 11.627  -26.402 17.880  1.000 70.842  0 93  ILE AAA CD1 1 ? 4  
ATOM   728  N  N   . TYR A 1 94  ? 12.989  -20.773 16.047  1.000 56.593  0 94  TYR AAA N   1 ? 4  
ATOM   729  C  CA  . TYR A 1 94  ? 13.511  -19.858 14.998  1.000 55.170  0 94  TYR AAA CA  1 ? 4  
ATOM   730  C  C   . TYR A 1 94  ? 14.914  -20.325 14.615  1.000 56.025  0 94  TYR AAA C   1 ? 4  
ATOM   731  O  O   . TYR A 1 94  ? 15.722  -20.552 15.533  1.000 58.213  0 94  TYR AAA O   1 ? 4  
ATOM   732  C  CB  . TYR A 1 94  ? 13.493  -18.403 15.473  1.000 56.345  0 94  TYR AAA CB  1 ? 4  
ATOM   733  C  CG  . TYR A 1 94  ? 12.119  -17.786 15.466  1.000 55.378  0 94  TYR AAA CG  1 ? 4  
ATOM   734  C  CD1 . TYR A 1 94  ? 11.129  -18.233 16.329  1.000 55.698  0 94  TYR AAA CD1 1 ? 4  
ATOM   735  C  CD2 . TYR A 1 94  ? 11.795  -16.783 14.567  1.000 55.159  0 94  TYR AAA CD2 1 ? 4  
ATOM   736  C  CE1 . TYR A 1 94  ? 9.858   -17.683 16.313  1.000 56.328  0 94  TYR AAA CE1 1 ? 4  
ATOM   737  C  CE2 . TYR A 1 94  ? 10.524  -16.236 14.525  1.000 55.725  0 94  TYR AAA CE2 1 ? 4  
ATOM   738  C  CZ  . TYR A 1 94  ? 9.553   -16.676 15.411  1.000 56.918  0 94  TYR AAA CZ  1 ? 4  
ATOM   739  O  OH  . TYR A 1 94  ? 8.303   -16.127 15.353  1.000 57.522  0 94  TYR AAA OH  1 ? 4  
ATOM   740  N  N   . TYR A 1 95  ? 15.151  -20.509 13.313  1.000 53.321  0 95  TYR AAA N   1 ? 4  
ATOM   741  C  CA  . TYR A 1 95  ? 16.462  -20.856 12.719  1.000 55.127  0 95  TYR AAA CA  1 ? 4  
ATOM   742  C  C   . TYR A 1 95  ? 16.917  -19.708 11.820  1.000 54.362  0 95  TYR AAA C   1 ? 4  
ATOM   743  O  O   . TYR A 1 95  ? 16.083  -19.165 11.070  1.000 54.359  0 95  TYR AAA O   1 ? 4  
ATOM   744  C  CB  . TYR A 1 95  ? 16.381  -22.126 11.872  1.000 55.931  0 95  TYR AAA CB  1 ? 4  
ATOM   745  C  CG  . TYR A 1 95  ? 15.847  -23.334 12.593  1.000 57.902  0 95  TYR AAA CG  1 ? 4  
ATOM   746  C  CD1 . TYR A 1 95  ? 14.485  -23.567 12.659  1.000 58.280  0 95  TYR AAA CD1 1 ? 4  
ATOM   747  C  CD2 . TYR A 1 95  ? 16.698  -24.255 13.185  1.000 60.127  0 95  TYR AAA CD2 1 ? 4  
ATOM   748  C  CE1 . TYR A 1 95  ? 13.976  -24.680 13.305  1.000 61.651  0 95  TYR AAA CE1 1 ? 4  
ATOM   749  C  CE2 . TYR A 1 95  ? 16.205  -25.374 13.833  1.000 62.918  0 95  TYR AAA CE2 1 ? 4  
ATOM   750  C  CZ  . TYR A 1 95  ? 14.839  -25.580 13.905  1.000 64.617  0 95  TYR AAA CZ  1 ? 4  
ATOM   751  O  OH  . TYR A 1 95  ? 14.323  -26.659 14.564  1.000 67.489  0 95  TYR AAA OH  1 ? 4  
ATOM   752  N  N   . CYS A 1 96  ? 18.196  -19.342 11.900  1.000 55.739  0 96  CYS AAA N   1 ? 4  
ATOM   753  C  CA  . CYS A 1 96  ? 18.861  -18.532 10.853  1.000 57.189  0 96  CYS AAA CA  1 ? 4  
ATOM   754  C  C   . CYS A 1 96  ? 19.554  -19.509 9.900   1.000 53.716  0 96  CYS AAA C   1 ? 4  
ATOM   755  O  O   . CYS A 1 96  ? 19.933  -20.640 10.323  1.000 52.760  0 96  CYS AAA O   1 ? 4  
ATOM   756  C  CB  . CYS A 1 96  ? 19.790  -17.457 11.413  1.000 60.867  0 96  CYS AAA CB  1 ? 4  
ATOM   757  S  SG  . CYS A 1 96  ? 21.337  -18.060 12.146  1.000 71.455  0 96  CYS AAA SG  1 ? 4  
ATOM   758  N  N   . ALA A 1 97  ? 19.650  -19.101 8.643   1.000 48.855  0 97  ALA AAA N   1 ? 4  
ATOM   759  C  CA  . ALA A 1 97  ? 20.225  -19.908 7.556   1.000 48.967  0 97  ALA AAA CA  1 ? 4  
ATOM   760  C  C   . ALA A 1 97  ? 20.987  -18.969 6.629   1.000 48.147  0 97  ALA AAA C   1 ? 4  
ATOM   761  O  O   . ALA A 1 97  ? 20.596  -17.797 6.553   1.000 49.424  0 97  ALA AAA O   1 ? 4  
ATOM   762  C  CB  . ALA A 1 97  ? 19.114  -20.624 6.849   1.000 48.513  0 97  ALA AAA CB  1 ? 4  
ATOM   763  N  N   . ALA A 1 98  ? 22.036  -19.460 5.976   1.000 47.902  0 98  ALA AAA N   1 ? 4  
ATOM   764  C  CA  . ALA A 1 98  ? 22.847  -18.652 5.040   1.000 49.110  0 98  ALA AAA CA  1 ? 4  
ATOM   765  C  C   . ALA A 1 98  ? 23.009  -19.383 3.714   1.000 48.183  0 98  ALA AAA C   1 ? 4  
ATOM   766  O  O   . ALA A 1 98  ? 23.028  -20.641 3.695   1.000 49.118  0 98  ALA AAA O   1 ? 4  
ATOM   767  C  CB  . ALA A 1 98  ? 24.192  -18.320 5.621   1.000 49.608  0 98  ALA AAA CB  1 ? 4  
ATOM   768  N  N   . GLY A 1 99  ? 23.138  -18.590 2.658   1.000 48.403  0 99  GLY AAA N   1 ? 4  
ATOM   769  C  CA  . GLY A 1 99  ? 23.461  -19.049 1.293   1.000 47.370  0 99  GLY AAA CA  1 ? 4  
ATOM   770  C  C   . GLY A 1 99  ? 24.433  -18.090 0.639   1.000 47.940  0 99  GLY AAA C   1 ? 4  
ATOM   771  O  O   . GLY A 1 99  ? 24.362  -16.876 0.967   1.000 47.884  0 99  GLY AAA O   1 ? 4  
ATOM   772  N  N   . ARG A 1 100 ? 25.321  -18.602 -0.222  1.000 49.164  0 100 ARG AAA N   1 ? 4  
ATOM   773  C  CA  . ARG A 1 100 ? 26.300  -17.796 -0.989  1.000 52.408  0 100 ARG AAA CA  1 ? 4  
ATOM   774  C  C   . ARG A 1 100 ? 25.580  -17.200 -2.203  1.000 49.713  0 100 ARG AAA C   1 ? 4  
ATOM   775  O  O   . ARG A 1 100 ? 25.910  -17.570 -3.347  1.000 48.995  0 100 ARG AAA O   1 ? 4  
ATOM   776  C  CB  . ARG A 1 100 ? 27.484  -18.653 -1.444  1.000 57.919  0 100 ARG AAA CB  1 ? 4  
ATOM   777  C  CG  . ARG A 1 100 ? 28.243  -19.319 -0.309  1.000 67.654  0 100 ARG AAA CG  1 ? 4  
ATOM   778  C  CD  . ARG A 1 100 ? 29.548  -19.916 -0.797  1.000 75.051  0 100 ARG AAA CD  1 ? 4  
ATOM   779  N  NE  . ARG A 1 100 ? 30.199  -20.644 0.281   1.000 85.614  0 100 ARG AAA NE  1 ? 4  
ATOM   780  C  CZ  . ARG A 1 100 ? 30.949  -20.101 1.242   1.000 93.331  0 100 ARG AAA CZ  1 ? 4  
ATOM   781  N  NH1 . ARG A 1 100 ? 31.166  -18.795 1.282   1.000 91.980  0 100 ARG AAA NH1 1 ? 4  
ATOM   782  N  NH2 . ARG A 1 100 ? 31.489  -20.878 2.166   1.000 97.896  0 100 ARG AAA NH2 1 ? 4  
ATOM   783  N  N   . PHE A 1 101 ? 24.619  -16.316 -1.947  1.000 46.724  0 101 PHE AAA N   1 ? 4  
ATOM   784  C  CA  . PHE A 1 101 ? 23.915  -15.533 -2.990  1.000 43.878  0 101 PHE AAA CA  1 ? 4  
ATOM   785  C  C   . PHE A 1 101 ? 23.475  -14.203 -2.388  1.000 45.085  0 101 PHE AAA C   1 ? 4  
ATOM   786  O  O   . PHE A 1 101 ? 23.486  -14.034 -1.118  1.000 43.698  0 101 PHE AAA O   1 ? 4  
ATOM   787  C  CB  . PHE A 1 101 ? 22.735  -16.326 -3.549  1.000 41.434  0 101 PHE AAA CB  1 ? 4  
ATOM   788  C  CG  . PHE A 1 101 ? 21.806  -16.893 -2.510  1.000 40.217  0 101 PHE AAA CG  1 ? 4  
ATOM   789  C  CD1 . PHE A 1 101 ? 20.861  -16.093 -1.883  1.000 39.267  0 101 PHE AAA CD1 1 ? 4  
ATOM   790  C  CD2 . PHE A 1 101 ? 21.844  -18.245 -2.186  1.000 41.419  0 101 PHE AAA CD2 1 ? 4  
ATOM   791  C  CE1 . PHE A 1 101 ? 20.003  -16.625 -0.925  1.000 38.739  0 101 PHE AAA CE1 1 ? 4  
ATOM   792  C  CE2 . PHE A 1 101 ? 20.988  -18.770 -1.228  1.000 39.855  0 101 PHE AAA CE2 1 ? 4  
ATOM   793  C  CZ  . PHE A 1 101 ? 20.089  -17.955 -0.579  1.000 38.149  0 101 PHE AAA CZ  1 ? 4  
ATOM   794  N  N   . ALA A 1 102 ? 23.124  -13.262 -3.258  1.000 42.345  0 102 ALA AAA N   1 ? 4  
ATOM   795  C  CA  . ALA A 1 102 ? 22.506  -11.988 -2.836  1.000 43.168  0 102 ALA AAA CA  1 ? 4  
ATOM   796  C  C   . ALA A 1 102 ? 21.012  -12.137 -3.062  1.000 42.893  0 102 ALA AAA C   1 ? 4  
ATOM   797  O  O   . ALA A 1 102 ? 20.580  -12.099 -4.228  1.000 42.880  0 102 ALA AAA O   1 ? 4  
ATOM   798  C  CB  . ALA A 1 102 ? 23.071  -10.804 -3.568  1.000 44.865  0 102 ALA AAA CB  1 ? 4  
ATOM   799  N  N   . GLY A 1 103 ? 20.250  -12.338 -1.991  1.000 40.898  0 103 GLY AAA N   1 ? 4  
ATOM   800  C  CA  . GLY A 1 103 ? 18.788  -12.350 -2.121  1.000 41.052  0 103 GLY AAA CA  1 ? 4  
ATOM   801  C  C   . GLY A 1 103 ? 18.136  -13.250 -1.112  1.000 41.477  0 103 GLY AAA C   1 ? 4  
ATOM   802  O  O   . GLY A 1 103 ? 18.588  -13.252 0.064   1.000 40.907  0 103 GLY AAA O   1 ? 4  
ATOM   803  N  N   . ARG A 1 104 ? 17.093  -13.955 -1.546  1.000 39.609  0 104 ARG AAA N   1 ? 4  
ATOM   804  C  CA  . ARG A 1 104 ? 16.078  -14.526 -0.628  1.000 40.371  0 104 ARG AAA CA  1 ? 4  
ATOM   805  C  C   . ARG A 1 104 ? 15.402  -15.724 -1.286  1.000 38.732  0 104 ARG AAA C   1 ? 4  
ATOM   806  O  O   . ARG A 1 104 ? 15.234  -15.728 -2.536  1.000 37.046  0 104 ARG AAA O   1 ? 4  
ATOM   807  C  CB  . ARG A 1 104 ? 15.031  -13.467 -0.294  1.000 40.911  0 104 ARG AAA CB  1 ? 4  
ATOM   808  C  CG  . ARG A 1 104 ? 14.393  -12.832 -1.525  1.000 41.102  0 104 ARG AAA CG  1 ? 4  
ATOM   809  C  CD  . ARG A 1 104 ? 13.536  -11.648 -1.139  1.000 43.510  0 104 ARG AAA CD  1 ? 4  
ATOM   810  N  NE  . ARG A 1 104 ? 12.902  -10.983 -2.279  1.000 46.586  0 104 ARG AAA NE  1 ? 4  
ATOM   811  C  CZ  . ARG A 1 104 ? 11.780  -11.382 -2.855  1.000 45.417  0 104 ARG AAA CZ  1 ? 4  
ATOM   812  N  NH1 . ARG A 1 104 ? 11.179  -12.476 -2.409  1.000 44.917  0 104 ARG AAA NH1 1 ? 4  
ATOM   813  N  NH2 . ARG A 1 104 ? 11.266  -10.689 -3.867  1.000 45.182  0 104 ARG AAA NH2 1 ? 4  
ATOM   814  N  N   . ASP A 1 105 ? 14.975  -16.671 -0.464  1.000 37.780  0 105 ASP AAA N   1 ? 4  
ATOM   815  C  CA  . ASP A 1 105 ? 14.223  -17.849 -0.953  1.000 38.726  0 105 ASP AAA CA  1 ? 4  
ATOM   816  C  C   . ASP A 1 105 ? 13.287  -18.356 0.148   1.000 39.410  0 105 ASP AAA C   1 ? 4  
ATOM   817  O  O   . ASP A 1 105 ? 13.677  -18.331 1.322   1.000 38.499  0 105 ASP AAA O   1 ? 4  
ATOM   818  C  CB  . ASP A 1 105 ? 15.190  -18.921 -1.452  1.000 41.255  0 105 ASP AAA CB  1 ? 4  
ATOM   819  C  CG  . ASP A 1 105 ? 14.564  -19.879 -2.460  1.000 42.093  0 105 ASP AAA CG  1 ? 4  
ATOM   820  O  OD1 . ASP A 1 105 ? 13.299  -19.909 -2.563  1.000 38.884  0 105 ASP AAA OD1 1 ? 4  
ATOM   821  O  OD2 . ASP A 1 105 ? 15.344  -20.595 -3.123  1.000 43.890  0 105 ASP AAA OD2 1 ? 4  
ATOM   822  N  N   . THR A 1 106 ? 12.102  -18.837 -0.223  1.000 36.723  0 106 THR AAA N   1 ? 4  
ATOM   823  C  CA  . THR A 1 106 ? 11.145  -19.447 0.732   1.000 38.904  0 106 THR AAA CA  1 ? 4  
ATOM   824  C  C   . THR A 1 106 ? 11.506  -20.910 0.974   1.000 39.737  0 106 THR AAA C   1 ? 4  
ATOM   825  O  O   . THR A 1 106 ? 10.958  -21.475 1.918   1.000 40.486  0 106 THR AAA O   1 ? 4  
ATOM   826  C  CB  . THR A 1 106 ? 9.711   -19.361 0.212   1.000 40.815  0 106 THR AAA CB  1 ? 4  
ATOM   827  O  OG1 . THR A 1 106 ? 9.738   -19.824 -1.133  1.000 39.095  0 106 THR AAA OG1 1 ? 4  
ATOM   828  C  CG2 . THR A 1 106 ? 9.163   -17.951 0.236   1.000 46.761  0 106 THR AAA CG2 1 ? 4  
ATOM   829  N  N   . TRP A 1 107 ? 12.333  -21.518 0.115   1.000 36.349  0 107 TRP AAA N   1 ? 4  
ATOM   830  C  CA  . TRP A 1 107 ? 12.704  -22.944 0.217   1.000 35.961  0 107 TRP AAA CA  1 ? 4  
ATOM   831  C  C   . TRP A 1 107 ? 13.890  -23.118 1.165   1.000 38.265  0 107 TRP AAA C   1 ? 4  
ATOM   832  O  O   . TRP A 1 107 ? 14.998  -22.670 0.856   1.000 36.215  0 107 TRP AAA O   1 ? 4  
ATOM   833  C  CB  . TRP A 1 107 ? 12.972  -23.564 -1.164  1.000 35.623  0 107 TRP AAA CB  1 ? 4  
ATOM   834  C  CG  . TRP A 1 107 ? 11.732  -23.583 -1.999  1.000 34.727  0 107 TRP AAA CG  1 ? 4  
ATOM   835  C  CD1 . TRP A 1 107 ? 11.352  -22.638 -2.905  1.000 35.306  0 107 TRP AAA CD1 1 ? 4  
ATOM   836  C  CD2 . TRP A 1 107 ? 10.698  -24.584 -2.001  1.000 35.432  0 107 TRP AAA CD2 1 ? 4  
ATOM   837  N  NE1 . TRP A 1 107 ? 10.160  -22.989 -3.476  1.000 36.202  0 107 TRP AAA NE1 1 ? 4  
ATOM   838  C  CE2 . TRP A 1 107 ? 9.719   -24.161 -2.922  1.000 35.116  0 107 TRP AAA CE2 1 ? 4  
ATOM   839  C  CE3 . TRP A 1 107 ? 10.519  -25.805 -1.350  1.000 36.489  0 107 TRP AAA CE3 1 ? 4  
ATOM   840  C  CZ2 . TRP A 1 107 ? 8.561   -24.888 -3.167  1.000 36.672  0 107 TRP AAA CZ2 1 ? 4  
ATOM   841  C  CZ3 . TRP A 1 107 ? 9.368   -26.519 -1.579  1.000 38.533  0 107 TRP AAA CZ3 1 ? 4  
ATOM   842  C  CH2 . TRP A 1 107 ? 8.404   -26.070 -2.487  1.000 38.361  0 107 TRP AAA CH2 1 ? 4  
ATOM   843  N  N   . PRO A 1 108 ? 13.694  -23.856 2.290   1.000 39.425  0 108 PRO AAA N   1 ? 4  
ATOM   844  C  CA  . PRO A 1 108 ? 14.787  -24.204 3.199   1.000 43.711  0 108 PRO AAA CA  1 ? 4  
ATOM   845  C  C   . PRO A 1 108 ? 15.929  -24.937 2.491   1.000 45.059  0 108 PRO AAA C   1 ? 4  
ATOM   846  O  O   . PRO A 1 108 ? 17.071  -24.670 2.796   1.000 44.543  0 108 PRO AAA O   1 ? 4  
ATOM   847  C  CB  . PRO A 1 108 ? 14.131  -25.141 4.236   1.000 44.376  0 108 PRO AAA CB  1 ? 4  
ATOM   848  C  CG  . PRO A 1 108 ? 12.674  -24.716 4.217   1.000 43.414  0 108 PRO AAA CG  1 ? 4  
ATOM   849  C  CD  . PRO A 1 108 ? 12.394  -24.368 2.766   1.000 40.678  0 108 PRO AAA CD  1 ? 4  
ATOM   850  N  N   . SER A 1 109 ? 15.571  -25.846 1.582   1.000 46.853  0 109 SER AAA N   1 ? 4  
ATOM   851  C  CA  . SER A 1 109 ? 16.502  -26.660 0.761   1.000 50.126  0 109 SER AAA CA  1 ? 4  
ATOM   852  C  C   . SER A 1 109 ? 17.431  -25.758 -0.066  1.000 46.408  0 109 SER AAA C   1 ? 4  
ATOM   853  O  O   . SER A 1 109 ? 18.443  -26.279 -0.548  1.000 47.036  0 109 SER AAA O   1 ? 4  
ATOM   854  C  CB  . SER A 1 109 ? 15.738  -27.642 -0.121  1.000 54.193  0 109 SER AAA CB  1 ? 4  
ATOM   855  O  OG  . SER A 1 109 ? 14.706  -26.985 -0.870  1.000 56.311  0 109 SER AAA OG  1 ? 4  
ATOM   856  N  N   . SER A 1 110 ? 17.113  -24.470 -0.231  1.000 43.007  0 110 SER AAA N   1 ? 4  
ATOM   857  C  CA  . SER A 1 110 ? 17.954  -23.486 -0.973  1.000 42.690  0 110 SER AAA CA  1 ? 4  
ATOM   858  C  C   . SER A 1 110 ? 19.061  -22.914 -0.080  1.000 43.094  0 110 SER AAA C   1 ? 4  
ATOM   859  O  O   . SER A 1 110 ? 19.898  -22.201 -0.611  1.000 42.379  0 110 SER AAA O   1 ? 4  
ATOM   860  C  CB  . SER A 1 110 ? 17.129  -22.365 -1.566  1.000 41.829  0 110 SER AAA CB  1 ? 4  
ATOM   861  O  OG  . SER A 1 110 ? 16.274  -22.862 -2.582  1.000 43.003  0 110 SER AAA OG  1 ? 4  
ATOM   862  N  N   . TYR A 1 111 ? 19.050  -23.207 1.224   1.000 43.313  0 111 TYR AAA N   1 ? 4  
ATOM   863  C  CA  . TYR A 1 111 ? 20.049  -22.704 2.203   1.000 43.356  0 111 TYR AAA CA  1 ? 4  
ATOM   864  C  C   . TYR A 1 111 ? 20.922  -23.876 2.663   1.000 45.447  0 111 TYR AAA C   1 ? 4  
ATOM   865  O  O   . TYR A 1 111 ? 20.390  -24.865 3.204   1.000 48.285  0 111 TYR AAA O   1 ? 4  
ATOM   866  C  CB  . TYR A 1 111 ? 19.319  -21.982 3.336   1.000 42.956  0 111 TYR AAA CB  1 ? 4  
ATOM   867  C  CG  . TYR A 1 111 ? 18.725  -20.652 2.945   1.000 41.341  0 111 TYR AAA CG  1 ? 4  
ATOM   868  C  CD1 . TYR A 1 111 ? 19.443  -19.474 3.077   1.000 41.367  0 111 TYR AAA CD1 1 ? 4  
ATOM   869  C  CD2 . TYR A 1 111 ? 17.438  -20.572 2.433   1.000 40.971  0 111 TYR AAA CD2 1 ? 4  
ATOM   870  C  CE1 . TYR A 1 111 ? 18.892  -18.254 2.708   1.000 42.433  0 111 TYR AAA CE1 1 ? 4  
ATOM   871  C  CE2 . TYR A 1 111 ? 16.861  -19.360 2.091   1.000 39.230  0 111 TYR AAA CE2 1 ? 4  
ATOM   872  C  CZ  . TYR A 1 111 ? 17.597  -18.198 2.208   1.000 39.384  0 111 TYR AAA CZ  1 ? 4  
ATOM   873  O  OH  . TYR A 1 111 ? 17.044  -17.009 1.809   1.000 38.839  0 111 TYR AAA OH  1 ? 4  
ATOM   874  N  N   . ASP A 1 112 ? 22.233  -23.795 2.442   1.000 47.534  0 112 ASP AAA N   1 ? 4  
ATOM   875  C  CA  . ASP A 1 112 ? 23.177  -24.897 2.777   1.000 51.389  0 112 ASP AAA CA  1 ? 4  
ATOM   876  C  C   . ASP A 1 112 ? 23.708  -24.741 4.207   1.000 53.576  0 112 ASP AAA C   1 ? 4  
ATOM   877  O  O   . ASP A 1 112 ? 24.335  -25.700 4.657   1.000 56.427  0 112 ASP AAA O   1 ? 4  
ATOM   878  C  CB  . ASP A 1 112 ? 24.363  -24.961 1.811   1.000 56.549  0 112 ASP AAA CB  1 ? 4  
ATOM   879  C  CG  . ASP A 1 112 ? 24.000  -25.239 0.352   1.000 57.956  0 112 ASP AAA CG  1 ? 4  
ATOM   880  O  OD1 . ASP A 1 112 ? 22.938  -25.841 0.096   1.000 56.655  0 112 ASP AAA OD1 1 ? 4  
ATOM   881  O  OD2 . ASP A 1 112 ? 24.786  -24.846 -0.522  1.000 62.801  0 112 ASP AAA OD2 1 ? 4  
ATOM   882  N  N   . TYR A 1 113 ? 23.488  -23.607 4.890   1.000 51.632  0 113 TYR AAA N   1 ? 4  
ATOM   883  C  CA  . TYR A 1 113 ? 24.075  -23.330 6.237   1.000 54.825  0 113 TYR AAA CA  1 ? 4  
ATOM   884  C  C   . TYR A 1 113 ? 22.970  -22.932 7.214   1.000 52.099  0 113 TYR AAA C   1 ? 4  
ATOM   885  O  O   . TYR A 1 113 ? 22.162  -22.044 6.896   1.000 51.169  0 113 TYR AAA O   1 ? 4  
ATOM   886  C  CB  . TYR A 1 113 ? 25.167  -22.256 6.170   1.000 57.184  0 113 TYR AAA CB  1 ? 4  
ATOM   887  C  CG  . TYR A 1 113 ? 26.218  -22.518 5.124   1.000 61.685  0 113 TYR AAA CG  1 ? 4  
ATOM   888  C  CD1 . TYR A 1 113 ? 27.186  -23.493 5.306   1.000 65.338  0 113 TYR AAA CD1 1 ? 4  
ATOM   889  C  CD2 . TYR A 1 113 ? 26.221  -21.816 3.930   1.000 63.386  0 113 TYR AAA CD2 1 ? 4  
ATOM   890  C  CE1 . TYR A 1 113 ? 28.136  -23.754 4.332   1.000 68.223  0 113 TYR AAA CE1 1 ? 4  
ATOM   891  C  CE2 . TYR A 1 113 ? 27.164  -22.066 2.947   1.000 66.380  0 113 TYR AAA CE2 1 ? 4  
ATOM   892  C  CZ  . TYR A 1 113 ? 28.123  -23.040 3.149   1.000 67.925  0 113 TYR AAA CZ  1 ? 4  
ATOM   893  O  OH  . TYR A 1 113 ? 29.051  -23.274 2.184   1.000 70.784  0 113 TYR AAA OH  1 ? 4  
ATOM   894  N  N   . TRP A 1 114 ? 22.955  -23.581 8.376   1.000 54.236  0 114 TRP AAA N   1 ? 4  
ATOM   895  C  CA  . TRP A 1 114 ? 21.877  -23.493 9.395   1.000 55.263  0 114 TRP AAA CA  1 ? 4  
ATOM   896  C  C   . TRP A 1 114 ? 22.482  -23.361 10.786  1.000 57.212  0 114 TRP AAA C   1 ? 4  
ATOM   897  O  O   . TRP A 1 114 ? 23.428  -24.116 11.076  1.000 57.380  0 114 TRP AAA O   1 ? 4  
ATOM   898  C  CB  . TRP A 1 114 ? 20.994  -24.740 9.345   1.000 55.817  0 114 TRP AAA CB  1 ? 4  
ATOM   899  C  CG  . TRP A 1 114 ? 20.164  -24.764 8.111   1.000 52.027  0 114 TRP AAA CG  1 ? 4  
ATOM   900  C  CD1 . TRP A 1 114 ? 20.512  -25.279 6.897   1.000 50.763  0 114 TRP AAA CD1 1 ? 4  
ATOM   901  C  CD2 . TRP A 1 114 ? 18.878  -24.154 7.950   1.000 50.929  0 114 TRP AAA CD2 1 ? 4  
ATOM   902  N  NE1 . TRP A 1 114 ? 19.506  -25.057 6.000   1.000 49.680  0 114 TRP AAA NE1 1 ? 4  
ATOM   903  C  CE2 . TRP A 1 114 ? 18.491  -24.374 6.611   1.000 48.693  0 114 TRP AAA CE2 1 ? 4  
ATOM   904  C  CE3 . TRP A 1 114 ? 18.009  -23.473 8.803   1.000 50.833  0 114 TRP AAA CE3 1 ? 4  
ATOM   905  C  CZ2 . TRP A 1 114 ? 17.269  -23.934 6.113   1.000 47.310  0 114 TRP AAA CZ2 1 ? 4  
ATOM   906  C  CZ3 . TRP A 1 114 ? 16.800  -23.043 8.310   1.000 49.290  0 114 TRP AAA CZ3 1 ? 4  
ATOM   907  C  CH2 . TRP A 1 114 ? 16.442  -23.255 6.977   1.000 47.481  0 114 TRP AAA CH2 1 ? 4  
ATOM   908  N  N   . GLY A 1 115 ? 21.933  -22.454 11.594  1.000 58.103  0 115 GLY AAA N   1 ? 4  
ATOM   909  C  CA  . GLY A 1 115 ? 22.154  -22.435 13.050  1.000 62.109  0 115 GLY AAA CA  1 ? 4  
ATOM   910  C  C   . GLY A 1 115 ? 21.328  -23.515 13.727  1.000 63.239  0 115 GLY AAA C   1 ? 4  
ATOM   911  O  O   . GLY A 1 115 ? 20.409  -24.050 13.099  1.000 57.798  0 115 GLY AAA O   1 ? 4  
ATOM   912  N  N   . GLN A 1 116 ? 21.652  -23.841 14.973  1.000 68.523  0 116 GLN AAA N   1 ? 4  
ATOM   913  C  CA  . GLN A 1 116 ? 20.751  -24.595 15.883  1.000 73.829  0 116 GLN AAA CA  1 ? 4  
ATOM   914  C  C   . GLN A 1 116 ? 19.633  -23.615 16.252  1.000 72.781  0 116 GLN AAA C   1 ? 4  
ATOM   915  O  O   . GLN A 1 116 ? 19.938  -22.415 16.414  1.000 79.165  0 116 GLN AAA O   1 ? 4  
ATOM   916  C  CB  . GLN A 1 116 ? 21.531  -25.118 17.098  1.000 83.069  0 116 GLN AAA CB  1 ? 4  
ATOM   917  C  CG  . GLN A 1 116 ? 22.844  -25.802 16.716  1.000 90.130  0 116 GLN AAA CG  1 ? 4  
ATOM   918  C  CD  . GLN A 1 116 ? 23.498  -26.587 17.830  1.000 100.523 0 116 GLN AAA CD  1 ? 4  
ATOM   919  O  OE1 . GLN A 1 116 ? 23.498  -26.192 18.999  1.000 105.502 0 116 GLN AAA OE1 1 ? 4  
ATOM   920  N  NE2 . GLN A 1 116 ? 24.089  -27.715 17.468  1.000 103.289 0 116 GLN AAA NE2 1 ? 4  
ATOM   921  N  N   . GLY A 1 117 ? 18.388  -24.072 16.346  1.000 69.319  0 117 GLY AAA N   1 ? 4  
ATOM   922  C  CA  . GLY A 1 117 ? 17.244  -23.175 16.594  1.000 68.632  0 117 GLY AAA CA  1 ? 4  
ATOM   923  C  C   . GLY A 1 117 ? 17.343  -22.499 17.956  1.000 71.736  0 117 GLY AAA C   1 ? 4  
ATOM   924  O  O   . GLY A 1 117 ? 18.101  -22.989 18.803  1.000 72.246  0 117 GLY AAA O   1 ? 4  
ATOM   925  N  N   . THR A 1 118 ? 16.646  -21.377 18.138  1.000 70.925  0 118 THR AAA N   1 ? 4  
ATOM   926  C  CA  . THR A 1 118 ? 16.356  -20.764 19.462  1.000 72.456  0 118 THR AAA CA  1 ? 4  
ATOM   927  C  C   . THR A 1 118 ? 14.830  -20.816 19.631  1.000 70.833  0 118 THR AAA C   1 ? 4  
ATOM   928  O  O   . THR A 1 118 ? 14.101  -20.502 18.656  1.000 65.546  0 118 THR AAA O   1 ? 4  
ATOM   929  C  CB  . THR A 1 118 ? 17.019  -19.380 19.599  1.000 74.350  0 118 THR AAA CB  1 ? 4  
ATOM   930  O  OG1 . THR A 1 118 ? 16.910  -18.931 20.953  1.000 76.212  0 118 THR AAA OG1 1 ? 4  
ATOM   931  C  CG2 . THR A 1 118 ? 16.434  -18.319 18.689  1.000 71.789  0 118 THR AAA CG2 1 ? 4  
ATOM   932  N  N   . GLN A 1 119 ? 14.371  -21.297 20.783  1.000 70.690  0 119 GLN AAA N   1 ? 4  
ATOM   933  C  CA  . GLN A 1 119 ? 12.932  -21.407 21.145  1.000 71.089  0 119 GLN AAA CA  1 ? 4  
ATOM   934  C  C   . GLN A 1 119 ? 12.388  -20.007 21.455  1.000 69.419  0 119 GLN AAA C   1 ? 4  
ATOM   935  O  O   . GLN A 1 119 ? 12.979  -19.329 22.330  1.000 70.531  0 119 GLN AAA O   1 ? 4  
ATOM   936  C  CB  . GLN A 1 119 ? 12.765  -22.333 22.358  1.000 75.333  0 119 GLN AAA CB  1 ? 4  
ATOM   937  C  CG  . GLN A 1 119 ? 11.319  -22.498 22.805  1.000 76.268  0 119 GLN AAA CG  1 ? 4  
ATOM   938  C  CD  . GLN A 1 119 ? 10.434  -23.044 21.712  1.000 72.460  0 119 GLN AAA CD  1 ? 4  
ATOM   939  O  OE1 . GLN A 1 119 ? 10.588  -24.180 21.278  1.000 75.173  0 119 GLN AAA OE1 1 ? 4  
ATOM   940  N  NE2 . GLN A 1 119 ? 9.487   -22.238 21.263  1.000 71.229  0 119 GLN AAA NE2 1 ? 4  
ATOM   941  N  N   . VAL A 1 120 ? 11.304  -19.600 20.787  1.000 65.189  0 120 VAL AAA N   1 ? 4  
ATOM   942  C  CA  . VAL A 1 120 ? 10.503  -18.391 21.143  1.000 67.119  0 120 VAL AAA CA  1 ? 4  
ATOM   943  C  C   . VAL A 1 120 ? 9.093   -18.834 21.543  1.000 68.165  0 120 VAL AAA C   1 ? 4  
ATOM   944  O  O   . VAL A 1 120 ? 8.395   -19.382 20.694  1.000 62.748  0 120 VAL AAA O   1 ? 4  
ATOM   945  C  CB  . VAL A 1 120 ? 10.436  -17.380 19.989  1.000 66.625  0 120 VAL AAA CB  1 ? 4  
ATOM   946  C  CG1 . VAL A 1 120 ? 9.417   -16.281 20.269  1.000 67.112  0 120 VAL AAA CG1 1 ? 4  
ATOM   947  C  CG2 . VAL A 1 120 ? 11.810  -16.804 19.677  1.000 67.446  0 120 VAL AAA CG2 1 ? 4  
ATOM   948  N  N   . THR A 1 121 ? 8.690   -18.591 22.791  1.000 70.441  0 121 THR AAA N   1 ? 4  
ATOM   949  C  CA  . THR A 1 121 ? 7.316   -18.887 23.282  1.000 74.650  0 121 THR AAA CA  1 ? 4  
ATOM   950  C  C   . THR A 1 121 ? 6.652   -17.581 23.727  1.000 75.722  0 121 THR AAA C   1 ? 4  
ATOM   951  O  O   . THR A 1 121 ? 7.281   -16.841 24.508  1.000 77.667  0 121 THR AAA O   1 ? 4  
ATOM   952  C  CB  . THR A 1 121 ? 7.341   -19.947 24.388  1.000 77.708  0 121 THR AAA CB  1 ? 4  
ATOM   953  O  OG1 . THR A 1 121 ? 8.030   -21.075 23.846  1.000 78.473  0 121 THR AAA OG1 1 ? 4  
ATOM   954  C  CG2 . THR A 1 121 ? 5.958   -20.343 24.860  1.000 79.972  0 121 THR AAA CG2 1 ? 4  
ATOM   955  N  N   . VAL A 1 122 ? 5.441   -17.317 23.232  1.000 76.329  0 122 VAL AAA N   1 ? 4  
ATOM   956  C  CA  . VAL A 1 122 ? 4.625   -16.109 23.551  1.000 80.037  0 122 VAL AAA CA  1 ? 4  
ATOM   957  C  C   . VAL A 1 122 ? 3.284   -16.584 24.120  1.000 83.099  0 122 VAL AAA C   1 ? 4  
ATOM   958  O  O   . VAL A 1 122 ? 2.456   -17.083 23.339  1.000 83.848  0 122 VAL AAA O   1 ? 4  
ATOM   959  C  CB  . VAL A 1 122 ? 4.421   -15.215 22.310  1.000 79.564  0 122 VAL AAA CB  1 ? 4  
ATOM   960  C  CG1 . VAL A 1 122 ? 3.739   -13.904 22.671  1.000 83.417  0 122 VAL AAA CG1 1 ? 4  
ATOM   961  C  CG2 . VAL A 1 122 ? 5.721   -14.940 21.569  1.000 77.667  0 122 VAL AAA CG2 1 ? 4  
ATOM   962  N  N   . SER A 1 123 ? 3.088   -16.469 25.434  1.000 86.139  0 123 SER AAA N   1 ? 4  
ATOM   963  C  CA  . SER A 1 123 ? 1.802   -16.775 26.116  1.000 89.987  0 123 SER AAA CA  1 ? 4  
ATOM   964  C  C   . SER A 1 123 ? 1.717   -15.980 27.423  1.000 93.191  0 123 SER AAA C   1 ? 4  
ATOM   965  O  O   . SER A 1 123 ? 2.698   -15.282 27.753  1.000 90.046  0 123 SER AAA O   1 ? 4  
ATOM   966  C  CB  . SER A 1 123 ? 1.641   -18.257 26.358  1.000 90.971  0 123 SER AAA CB  1 ? 4  
ATOM   967  O  OG  . SER A 1 123 ? 2.315   -18.651 27.542  1.000 92.384  0 123 SER AAA OG  1 ? 4  
ATOM   968  N  N   . SER A 1 124 ? 0.584   -16.078 28.123  1.000 97.435  0 124 SER AAA N   1 ? 4  
ATOM   969  C  CA  . SER A 1 124 ? 0.304   -15.378 29.407  1.000 101.413 0 124 SER AAA CA  1 ? 4  
ATOM   970  C  C   . SER A 1 124 ? 0.320   -16.374 30.578  1.000 103.367 0 124 SER AAA C   1 ? 4  
ATOM   971  O  O   . SER A 1 124 ? 0.583   -17.572 30.446  1.000 102.297 0 124 SER AAA O   1 ? 4  
ATOM   972  C  CB  . SER A 1 124 ? -1.000  -14.613 29.326  1.000 105.078 0 124 SER AAA CB  1 ? 4  
ATOM   973  O  OG  . SER A 1 124 ? -1.936  -15.280 28.485  1.000 104.965 0 124 SER AAA OG  1 ? 4  
ATOM   974  N  N   . ASN B 2 4   ? 12.464  4.464   -21.390 1.000 74.399  0 334 ASN EEE N   1 ? 5  
ATOM   975  C  CA  . ASN B 2 4   ? 12.146  3.250   -22.193 1.000 71.305  0 334 ASN EEE CA  1 ? 5  
ATOM   976  C  C   . ASN B 2 4   ? 12.446  1.987   -21.362 1.000 63.395  0 334 ASN EEE C   1 ? 5  
ATOM   977  O  O   . ASN B 2 4   ? 13.598  1.493   -21.390 1.000 58.722  0 334 ASN EEE O   1 ? 5  
ATOM   978  C  CB  . ASN B 2 4   ? 12.906  3.274   -23.519 1.000 76.900  0 334 ASN EEE CB  1 ? 5  
ATOM   979  C  CG  . ASN B 2 4   ? 12.682  2.028   -24.350 1.000 81.228  0 334 ASN EEE CG  1 ? 5  
ATOM   980  O  OD1 . ASN B 2 4   ? 11.770  1.247   -24.077 1.000 84.930  0 334 ASN EEE OD1 1 ? 5  
ATOM   981  N  ND2 . ASN B 2 4   ? 13.516  1.832   -25.360 1.000 83.378  0 334 ASN EEE ND2 1 ? 5  
ATOM   982  N  N   . LEU B 2 5   ? 11.441  1.475   -20.652 1.000 59.803  0 335 LEU EEE N   1 ? 5  
ATOM   983  C  CA  . LEU B 2 5   ? 11.613  0.368   -19.673 1.000 60.164  0 335 LEU EEE CA  1 ? 5  
ATOM   984  C  C   . LEU B 2 5   ? 11.664  -0.975  -20.407 1.000 55.761  0 335 LEU EEE C   1 ? 5  
ATOM   985  O  O   . LEU B 2 5   ? 10.872  -1.171  -21.350 1.000 53.318  0 335 LEU EEE O   1 ? 5  
ATOM   986  C  CB  . LEU B 2 5   ? 10.488  0.397   -18.636 1.000 62.845  0 335 LEU EEE CB  1 ? 5  
ATOM   987  C  CG  . LEU B 2 5   ? 10.872  1.047   -17.308 1.000 70.772  0 335 LEU EEE CG  1 ? 5  
ATOM   988  C  CD1 . LEU B 2 5   ? 11.303  2.490   -17.509 1.000 72.478  0 335 LEU EEE CD1 1 ? 5  
ATOM   989  C  CD2 . LEU B 2 5   ? 9.732   0.969   -16.307 1.000 75.312  0 335 LEU EEE CD2 1 ? 5  
ATOM   990  N  N   . CYS B 2 6   ? 12.550  -1.869  -19.960 1.000 51.583  0 336 CYS EEE N   1 ? 5  
ATOM   991  C  CA  . CYS B 2 6   ? 12.694  -3.236  -20.515 1.000 50.630  0 336 CYS EEE CA  1 ? 5  
ATOM   992  C  C   . CYS B 2 6   ? 11.328  -3.903  -20.448 1.000 49.588  0 336 CYS EEE C   1 ? 5  
ATOM   993  O  O   . CYS B 2 6   ? 10.583  -3.708  -19.482 1.000 45.258  0 336 CYS EEE O   1 ? 5  
ATOM   994  C  CB  . CYS B 2 6   ? 13.790  -4.036  -19.815 1.000 50.743  0 336 CYS EEE CB  1 ? 5  
ATOM   995  S  SG  . CYS B 2 6   ? 15.439  -3.330  -20.136 1.000 54.208  0 336 CYS EEE SG  1 ? 5  
ATOM   996  N  N   . PRO B 2 7   ? 10.946  -4.658  -21.505 1.000 47.588  0 337 PRO EEE N   1 ? 5  
ATOM   997  C  CA  . PRO B 2 7   ? 9.639   -5.312  -21.544 1.000 46.948  0 337 PRO EEE CA  1 ? 5  
ATOM   998  C  C   . PRO B 2 7   ? 9.660   -6.602  -20.705 1.000 45.620  0 337 PRO EEE C   1 ? 5  
ATOM   999  O  O   . PRO B 2 7   ? 9.351   -7.644  -21.223 1.000 43.523  0 337 PRO EEE O   1 ? 5  
ATOM   1000 C  CB  . PRO B 2 7   ? 9.421   -5.572  -23.047 1.000 47.565  0 337 PRO EEE CB  1 ? 5  
ATOM   1001 C  CG  . PRO B 2 7   ? 10.830  -5.701  -23.636 1.000 49.321  0 337 PRO EEE CG  1 ? 5  
ATOM   1002 C  CD  . PRO B 2 7   ? 11.751  -4.923  -22.714 1.000 49.271  0 337 PRO EEE CD  1 ? 5  
ATOM   1003 N  N   . PHE B 2 8   ? 10.002  -6.519  -19.414 1.000 45.217  0 338 PHE EEE N   1 ? 5  
ATOM   1004 C  CA  . PHE B 2 8   ? 10.022  -7.707  -18.522 1.000 44.906  0 338 PHE EEE CA  1 ? 5  
ATOM   1005 C  C   . PHE B 2 8   ? 8.620   -8.336  -18.426 1.000 45.606  0 338 PHE EEE C   1 ? 5  
ATOM   1006 O  O   . PHE B 2 8   ? 8.525   -9.565  -18.182 1.000 50.340  0 338 PHE EEE O   1 ? 5  
ATOM   1007 C  CB  . PHE B 2 8   ? 10.562  -7.332  -17.142 1.000 46.432  0 338 PHE EEE CB  1 ? 5  
ATOM   1008 C  CG  . PHE B 2 8   ? 12.058  -7.185  -17.090 1.000 48.975  0 338 PHE EEE CG  1 ? 5  
ATOM   1009 C  CD1 . PHE B 2 8   ? 12.883  -8.166  -17.613 1.000 49.379  0 338 PHE EEE CD1 1 ? 5  
ATOM   1010 C  CD2 . PHE B 2 8   ? 12.639  -6.054  -16.536 1.000 53.377  0 338 PHE EEE CD2 1 ? 5  
ATOM   1011 C  CE1 . PHE B 2 8   ? 14.260  -8.035  -17.573 1.000 52.123  0 338 PHE EEE CE1 1 ? 5  
ATOM   1012 C  CE2 . PHE B 2 8   ? 14.020  -5.917  -16.512 1.000 55.701  0 338 PHE EEE CE2 1 ? 5  
ATOM   1013 C  CZ  . PHE B 2 8   ? 14.826  -6.906  -17.030 1.000 55.326  0 338 PHE EEE CZ  1 ? 5  
ATOM   1014 N  N   . GLY B 2 9   ? 7.562   -7.543  -18.608 1.000 43.449  0 339 GLY EEE N   1 ? 5  
ATOM   1015 C  CA  . GLY B 2 9   ? 6.161   -8.014  -18.602 1.000 44.843  0 339 GLY EEE CA  1 ? 5  
ATOM   1016 C  C   . GLY B 2 9   ? 5.959   -9.197  -19.536 1.000 45.677  0 339 GLY EEE C   1 ? 5  
ATOM   1017 O  O   . GLY B 2 9   ? 5.311   -10.167 -19.142 1.000 49.078  0 339 GLY EEE O   1 ? 5  
ATOM   1018 N  N   . GLU B 2 10  ? 6.526   -9.137  -20.737 1.000 45.668  0 340 GLU EEE N   1 ? 5  
ATOM   1019 C  CA  . GLU B 2 10  ? 6.435   -10.212 -21.759 1.000 47.058  0 340 GLU EEE CA  1 ? 5  
ATOM   1020 C  C   . GLU B 2 10  ? 6.993   -11.519 -21.187 1.000 43.215  0 340 GLU EEE C   1 ? 5  
ATOM   1021 O  O   . GLU B 2 10  ? 6.518   -12.583 -21.597 1.000 42.141  0 340 GLU EEE O   1 ? 5  
ATOM   1022 C  CB  . GLU B 2 10  ? 7.192   -9.834  -23.038 1.000 50.269  0 340 GLU EEE CB  1 ? 5  
ATOM   1023 C  CG  . GLU B 2 10  ? 6.500   -8.761  -23.846 1.000 56.320  0 340 GLU EEE CG  1 ? 5  
ATOM   1024 C  CD  . GLU B 2 10  ? 7.210   -8.367  -25.136 1.000 63.060  0 340 GLU EEE CD  1 ? 5  
ATOM   1025 O  OE1 . GLU B 2 10  ? 6.963   -7.242  -25.627 1.000 70.718  0 340 GLU EEE OE1 1 ? 5  
ATOM   1026 O  OE2 . GLU B 2 10  ? 8.009   -9.176  -25.644 1.000 61.001  0 340 GLU EEE OE2 1 ? 5  
ATOM   1027 N  N   . VAL B 2 11  ? 7.968   -11.465 -20.284 1.000 41.266  0 341 VAL EEE N   1 ? 5  
ATOM   1028 C  CA  . VAL B 2 11  ? 8.572   -12.714 -19.750 1.000 41.678  0 341 VAL EEE CA  1 ? 5  
ATOM   1029 C  C   . VAL B 2 11  ? 7.775   -13.143 -18.513 1.000 40.439  0 341 VAL EEE C   1 ? 5  
ATOM   1030 O  O   . VAL B 2 11  ? 7.261   -14.273 -18.512 1.000 39.573  0 341 VAL EEE O   1 ? 5  
ATOM   1031 C  CB  . VAL B 2 11  ? 10.074  -12.565 -19.465 1.000 44.871  0 341 VAL EEE CB  1 ? 5  
ATOM   1032 C  CG1 . VAL B 2 11  ? 10.620  -13.832 -18.828 1.000 47.564  0 341 VAL EEE CG1 1 ? 5  
ATOM   1033 C  CG2 . VAL B 2 11  ? 10.844  -12.232 -20.739 1.000 46.875  0 341 VAL EEE CG2 1 ? 5  
ATOM   1034 N  N   . PHE B 2 12  ? 7.652   -12.259 -17.525 1.000 39.207  0 342 PHE EEE N   1 ? 5  
ATOM   1035 C  CA  . PHE B 2 12  ? 7.079   -12.583 -16.195 1.000 39.187  0 342 PHE EEE CA  1 ? 5  
ATOM   1036 C  C   . PHE B 2 12  ? 5.593   -12.886 -16.330 1.000 39.559  0 342 PHE EEE C   1 ? 5  
ATOM   1037 O  O   . PHE B 2 12  ? 5.121   -13.730 -15.581 1.000 40.101  0 342 PHE EEE O   1 ? 5  
ATOM   1038 C  CB  . PHE B 2 12  ? 7.369   -11.464 -15.195 1.000 39.172  0 342 PHE EEE CB  1 ? 5  
ATOM   1039 C  CG  . PHE B 2 12  ? 8.820   -11.387 -14.803 1.000 40.040  0 342 PHE EEE CG  1 ? 5  
ATOM   1040 C  CD1 . PHE B 2 12  ? 9.388   -12.339 -13.980 1.000 41.070  0 342 PHE EEE CD1 1 ? 5  
ATOM   1041 C  CD2 . PHE B 2 12  ? 9.628   -10.371 -15.278 1.000 43.515  0 342 PHE EEE CD2 1 ? 5  
ATOM   1042 C  CE1 . PHE B 2 12  ? 10.728  -12.270 -13.629 1.000 42.773  0 342 PHE EEE CE1 1 ? 5  
ATOM   1043 C  CE2 . PHE B 2 12  ? 10.967  -10.302 -14.928 1.000 43.139  0 342 PHE EEE CE2 1 ? 5  
ATOM   1044 C  CZ  . PHE B 2 12  ? 11.515  -11.246 -14.098 1.000 43.303  0 342 PHE EEE CZ  1 ? 5  
ATOM   1045 N  N   . ASN B 2 13  ? 4.892   -12.224 -17.249 1.000 41.431  0 343 ASN EEE N   1 ? 5  
ATOM   1046 C  CA  . ASN B 2 13  ? 3.410   -12.244 -17.304 1.000 44.204  0 343 ASN EEE CA  1 ? 5  
ATOM   1047 C  C   . ASN B 2 13  ? 2.922   -13.048 -18.517 1.000 43.053  0 343 ASN EEE C   1 ? 5  
ATOM   1048 O  O   . ASN B 2 13  ? 1.734   -13.038 -18.773 1.000 44.611  0 343 ASN EEE O   1 ? 5  
ATOM   1049 C  CB  . ASN B 2 13  ? 2.855   -10.818 -17.241 1.000 50.486  0 343 ASN EEE CB  1 ? 5  
ATOM   1050 C  CG  . ASN B 2 13  ? 2.862   -10.264 -15.831 1.000 56.586  0 343 ASN EEE CG  1 ? 5  
ATOM   1051 O  OD1 . ASN B 2 13  ? 2.828   -11.028 -14.870 1.000 51.812  0 343 ASN EEE OD1 1 ? 5  
ATOM   1052 N  ND2 . ASN B 2 13  ? 2.902   -8.946  -15.696 1.000 68.237  0 343 ASN EEE ND2 1 ? 5  
ATOM   1053 N  N   . ALA B 2 14  ? 3.787   -13.790 -19.195 1.000 41.553  0 344 ALA EEE N   1 ? 5  
ATOM   1054 C  CA  . ALA B 2 14  ? 3.394   -14.643 -20.339 1.000 43.087  0 344 ALA EEE CA  1 ? 5  
ATOM   1055 C  C   . ALA B 2 14  ? 2.283   -15.601 -19.888 1.000 44.792  0 344 ALA EEE C   1 ? 5  
ATOM   1056 O  O   . ALA B 2 14  ? 2.349   -16.157 -18.768 1.000 44.483  0 344 ALA EEE O   1 ? 5  
ATOM   1057 C  CB  . ALA B 2 14  ? 4.615   -15.361 -20.877 1.000 44.103  0 344 ALA EEE CB  1 ? 5  
ATOM   1058 N  N   . THR B 2 15  ? 1.277   -15.822 -20.720 1.000 46.402  0 345 THR EEE N   1 ? 5  
ATOM   1059 C  CA  . THR B 2 15  ? 0.130   -16.686 -20.348 1.000 50.151  0 345 THR EEE CA  1 ? 5  
ATOM   1060 C  C   . THR B 2 15  ? 0.616   -18.141 -20.238 1.000 47.486  0 345 THR EEE C   1 ? 5  
ATOM   1061 O  O   . THR B 2 15  ? 0.245   -18.809 -19.257 1.000 44.410  0 345 THR EEE O   1 ? 5  
ATOM   1062 C  CB  . THR B 2 15  ? -1.064  -16.390 -21.258 1.000 56.917  0 345 THR EEE CB  1 ? 5  
ATOM   1063 O  OG1 . THR B 2 15  ? -0.595  -16.491 -22.595 1.000 68.673  0 345 THR EEE OG1 1 ? 5  
ATOM   1064 C  CG2 . THR B 2 15  ? -1.623  -14.998 -21.053 1.000 58.660  0 345 THR EEE CG2 1 ? 5  
ATOM   1065 N  N   . ARG B 2 16  ? 1.492   -18.607 -21.118 1.000 47.525  0 346 ARG EEE N   1 ? 5  
ATOM   1066 C  CA  . ARG B 2 16  ? 2.088   -19.955 -20.946 1.000 50.672  0 346 ARG EEE CA  1 ? 5  
ATOM   1067 C  C   . ARG B 2 16  ? 3.616   -19.880 -20.902 1.000 45.110  0 346 ARG EEE C   1 ? 5  
ATOM   1068 O  O   . ARG B 2 16  ? 4.228   -19.006 -21.512 1.000 44.241  0 346 ARG EEE O   1 ? 5  
ATOM   1069 C  CB  . ARG B 2 16  ? 1.598   -20.923 -22.026 1.000 61.574  0 346 ARG EEE CB  1 ? 5  
ATOM   1070 C  CG  . ARG B 2 16  ? 1.512   -22.364 -21.539 1.000 69.960  0 346 ARG EEE CG  1 ? 5  
ATOM   1071 C  CD  . ARG B 2 16  ? 1.335   -23.385 -22.667 1.000 77.716  0 346 ARG EEE CD  1 ? 5  
ATOM   1072 N  NE  . ARG B 2 16  ? 0.051   -23.279 -23.359 1.000 82.498  0 346 ARG EEE NE  1 ? 5  
ATOM   1073 C  CZ  . ARG B 2 16  ? -0.181  -22.627 -24.507 1.000 86.259  0 346 ARG EEE CZ  1 ? 5  
ATOM   1074 N  NH1 . ARG B 2 16  ? 0.782   -21.983 -25.151 1.000 84.620  0 346 ARG EEE NH1 1 ? 5  
ATOM   1075 N  NH2 . ARG B 2 16  ? -1.401  -22.631 -25.014 1.000 88.362  0 346 ARG EEE NH2 1 ? 5  
ATOM   1076 N  N   . PHE B 2 17  ? 4.205   -20.794 -20.150 1.000 35.689  0 347 PHE EEE N   1 ? 6  
ATOM   1077 C  CA  . PHE B 2 17  ? 5.663   -20.987 -20.020 1.000 31.243  0 347 PHE EEE CA  1 ? 6  
ATOM   1078 C  C   . PHE B 2 17  ? 6.067   -22.270 -20.732 1.000 30.404  0 347 PHE EEE C   1 ? 6  
ATOM   1079 O  O   . PHE B 2 17  ? 5.220   -23.123 -20.958 1.000 33.323  0 347 PHE EEE O   1 ? 6  
ATOM   1080 C  CB  . PHE B 2 17  ? 6.037   -21.003 -18.535 1.000 32.825  0 347 PHE EEE CB  1 ? 6  
ATOM   1081 C  CG  . PHE B 2 17  ? 6.372   -19.655 -17.965 1.000 31.378  0 347 PHE EEE CG  1 ? 6  
ATOM   1082 C  CD1 . PHE B 2 17  ? 5.561   -18.558 -18.192 1.000 33.019  0 347 PHE EEE CD1 1 ? 6  
ATOM   1083 C  CD2 . PHE B 2 17  ? 7.509   -19.484 -17.196 1.000 32.550  0 347 PHE EEE CD2 1 ? 6  
ATOM   1084 C  CE1 . PHE B 2 17  ? 5.884   -17.327 -17.652 1.000 33.345  0 347 PHE EEE CE1 1 ? 6  
ATOM   1085 C  CE2 . PHE B 2 17  ? 7.824   -18.252 -16.653 1.000 31.085  0 347 PHE EEE CE2 1 ? 6  
ATOM   1086 C  CZ  . PHE B 2 17  ? 7.015   -17.172 -16.890 1.000 32.532  0 347 PHE EEE CZ  1 ? 6  
ATOM   1087 N  N   . ALA B 2 18  ? 7.350   -22.375 -21.072 1.000 30.353  0 348 ALA EEE N   1 ? 6  
ATOM   1088 C  CA  . ALA B 2 18  ? 8.006   -23.568 -21.633 1.000 30.265  0 348 ALA EEE CA  1 ? 6  
ATOM   1089 C  C   . ALA B 2 18  ? 8.043   -24.693 -20.598 1.000 30.631  0 348 ALA EEE C   1 ? 6  
ATOM   1090 O  O   . ALA B 2 18  ? 8.157   -24.402 -19.380 1.000 27.818  0 348 ALA EEE O   1 ? 6  
ATOM   1091 C  CB  . ALA B 2 18  ? 9.422   -23.225 -22.043 1.000 31.062  0 348 ALA EEE CB  1 ? 6  
ATOM   1092 N  N   . SER B 2 19  ? 8.030   -25.931 -21.074 1.000 28.652  0 349 SER EEE N   1 ? 6  
ATOM   1093 C  CA  . SER B 2 19  ? 8.554   -27.074 -20.296 1.000 30.054  0 349 SER EEE CA  1 ? 6  
ATOM   1094 C  C   . SER B 2 19  ? 10.055  -26.843 -20.087 1.000 31.009  0 349 SER EEE C   1 ? 6  
ATOM   1095 O  O   . SER B 2 19  ? 10.748  -26.386 -21.021 1.000 29.255  0 349 SER EEE O   1 ? 6  
ATOM   1096 C  CB  . SER B 2 19  ? 8.328   -28.404 -20.962 1.000 29.003  0 349 SER EEE CB  1 ? 6  
ATOM   1097 O  OG  . SER B 2 19  ? 6.963   -28.773 -21.031 1.000 28.395  0 349 SER EEE OG  1 ? 6  
ATOM   1098 N  N   . VAL B 2 20  ? 10.559  -27.274 -18.944 1.000 28.440  0 350 VAL EEE N   1 ? 6  
ATOM   1099 C  CA  . VAL B 2 20  ? 11.973  -27.055 -18.547 1.000 27.151  0 350 VAL EEE CA  1 ? 6  
ATOM   1100 C  C   . VAL B 2 20  ? 12.930  -27.716 -19.544 1.000 26.132  0 350 VAL EEE C   1 ? 6  
ATOM   1101 O  O   . VAL B 2 20  ? 13.975  -27.109 -19.809 1.000 26.191  0 350 VAL EEE O   1 ? 6  
ATOM   1102 C  CB  . VAL B 2 20  ? 12.230  -27.480 -17.087 1.000 27.344  0 350 VAL EEE CB  1 ? 6  
ATOM   1103 C  CG1 . VAL B 2 20  ? 12.038  -28.990 -16.863 1.000 26.524  0 350 VAL EEE CG1 1 ? 6  
ATOM   1104 C  CG2 . VAL B 2 20  ? 13.613  -27.019 -16.637 1.000 28.095  0 350 VAL EEE CG2 1 ? 6  
ATOM   1105 N  N   . TYR B 2 21  ? 12.622  -28.889 -20.111 1.000 29.111  0 351 TYR EEE N   1 ? 6  
ATOM   1106 C  CA  . TYR B 2 21  ? 13.547  -29.563 -21.056 1.000 27.726  0 351 TYR EEE CA  1 ? 6  
ATOM   1107 C  C   . TYR B 2 21  ? 13.686  -28.699 -22.324 1.000 26.901  0 351 TYR EEE C   1 ? 6  
ATOM   1108 O  O   . TYR B 2 21  ? 14.741  -28.731 -22.946 1.000 28.514  0 351 TYR EEE O   1 ? 6  
ATOM   1109 C  CB  . TYR B 2 21  ? 13.103  -30.999 -21.358 1.000 29.307  0 351 TYR EEE CB  1 ? 6  
ATOM   1110 C  CG  . TYR B 2 21  ? 12.051  -31.088 -22.433 1.000 27.109  0 351 TYR EEE CG  1 ? 6  
ATOM   1111 C  CD1 . TYR B 2 21  ? 10.720  -30.852 -22.134 1.000 29.522  0 351 TYR EEE CD1 1 ? 6  
ATOM   1112 C  CD2 . TYR B 2 21  ? 12.385  -31.373 -23.743 1.000 29.031  0 351 TYR EEE CD2 1 ? 6  
ATOM   1113 C  CE1 . TYR B 2 21  ? 9.737   -30.920 -23.101 1.000 27.413  0 351 TYR EEE CE1 1 ? 6  
ATOM   1114 C  CE2 . TYR B 2 21  ? 11.421  -31.427 -24.737 1.000 29.953  0 351 TYR EEE CE2 1 ? 6  
ATOM   1115 C  CZ  . TYR B 2 21  ? 10.097  -31.196 -24.410 1.000 29.183  0 351 TYR EEE CZ  1 ? 6  
ATOM   1116 O  OH  . TYR B 2 21  ? 9.154   -31.240 -25.376 1.000 30.502  0 351 TYR EEE OH  1 ? 6  
ATOM   1117 N  N   . ALA B 2 22  ? 12.634  -27.979 -22.699 1.000 28.005  0 352 ALA EEE N   1 ? 6  
ATOM   1118 C  CA  . ALA B 2 22  ? 12.554  -27.126 -23.912 1.000 28.244  0 352 ALA EEE CA  1 ? 6  
ATOM   1119 C  C   . ALA B 2 22  ? 12.453  -25.651 -23.503 1.000 28.321  0 352 ALA EEE C   1 ? 6  
ATOM   1120 O  O   . ALA B 2 22  ? 11.732  -24.881 -24.133 1.000 29.182  0 352 ALA EEE O   1 ? 6  
ATOM   1121 C  CB  . ALA B 2 22  ? 11.386  -27.538 -24.771 1.000 29.684  0 352 ALA EEE CB  1 ? 6  
ATOM   1122 N  N   . TRP B 2 23  ? 13.230  -25.266 -22.509 1.000 27.265  0 353 TRP EEE N   1 ? 6  
ATOM   1123 C  CA  . TRP B 2 23  ? 13.214  -23.901 -21.931 1.000 27.044  0 353 TRP EEE CA  1 ? 6  
ATOM   1124 C  C   . TRP B 2 23  ? 13.387  -22.804 -22.998 1.000 28.858  0 353 TRP EEE C   1 ? 6  
ATOM   1125 O  O   . TRP B 2 23  ? 14.075  -22.998 -24.035 1.000 29.150  0 353 TRP EEE O   1 ? 6  
ATOM   1126 C  CB  . TRP B 2 23  ? 14.257  -23.811 -20.826 1.000 27.666  0 353 TRP EEE CB  1 ? 6  
ATOM   1127 C  CG  . TRP B 2 23  ? 15.658  -24.183 -21.189 1.000 25.522  0 353 TRP EEE CG  1 ? 6  
ATOM   1128 C  CD1 . TRP B 2 23  ? 16.245  -25.415 -21.127 1.000 27.041  0 353 TRP EEE CD1 1 ? 6  
ATOM   1129 C  CD2 . TRP B 2 23  ? 16.679  -23.270 -21.587 1.000 26.764  0 353 TRP EEE CD2 1 ? 6  
ATOM   1130 N  NE1 . TRP B 2 23  ? 17.564  -25.331 -21.483 1.000 27.336  0 353 TRP EEE NE1 1 ? 6  
ATOM   1131 C  CE2 . TRP B 2 23  ? 17.857  -24.025 -21.764 1.000 28.675  0 353 TRP EEE CE2 1 ? 6  
ATOM   1132 C  CE3 . TRP B 2 23  ? 16.693  -21.896 -21.832 1.000 27.198  0 353 TRP EEE CE3 1 ? 6  
ATOM   1133 C  CZ2 . TRP B 2 23  ? 19.056  -23.438 -22.135 1.000 29.946  0 353 TRP EEE CZ2 1 ? 6  
ATOM   1134 C  CZ3 . TRP B 2 23  ? 17.874  -21.319 -22.229 1.000 27.440  0 353 TRP EEE CZ3 1 ? 6  
ATOM   1135 C  CH2 . TRP B 2 23  ? 19.029  -22.082 -22.375 1.000 30.820  0 353 TRP EEE CH2 1 ? 6  
ATOM   1136 N  N   . ASN B 2 24  ? 12.709  -21.689 -22.774 1.000 29.122  0 354 ASN EEE N   1 ? 6  
ATOM   1137 C  CA  . ASN B 2 24  ? 12.738  -20.524 -23.682 1.000 31.355  0 354 ASN EEE CA  1 ? 6  
ATOM   1138 C  C   . ASN B 2 24  ? 13.778  -19.514 -23.190 1.000 30.353  0 354 ASN EEE C   1 ? 6  
ATOM   1139 O  O   . ASN B 2 24  ? 14.065  -19.420 -21.951 1.000 28.242  0 354 ASN EEE O   1 ? 6  
ATOM   1140 C  CB  . ASN B 2 24  ? 11.372  -19.860 -23.788 1.000 31.173  0 354 ASN EEE CB  1 ? 6  
ATOM   1141 C  CG  . ASN B 2 24  ? 10.383  -20.693 -24.571 1.000 34.817  0 354 ASN EEE CG  1 ? 6  
ATOM   1142 O  OD1 . ASN B 2 24  ? 10.740  -21.437 -25.488 1.000 33.144  0 354 ASN EEE OD1 1 ? 6  
ATOM   1143 N  ND2 . ASN B 2 24  ? 9.124   -20.553 -24.208 1.000 36.155  0 354 ASN EEE ND2 1 ? 6  
ATOM   1144 N  N   . ARG B 2 25  ? 14.339  -18.797 -24.148 1.000 28.299  0 355 ARG EEE N   1 ? 6  
ATOM   1145 C  CA  . ARG B 2 25  ? 15.270  -17.674 -23.926 1.000 28.889  0 355 ARG EEE CA  1 ? 6  
ATOM   1146 C  C   . ARG B 2 25  ? 14.724  -16.447 -24.660 1.000 33.136  0 355 ARG EEE C   1 ? 6  
ATOM   1147 O  O   . ARG B 2 25  ? 14.402  -16.533 -25.916 1.000 31.882  0 355 ARG EEE O   1 ? 6  
ATOM   1148 C  CB  . ARG B 2 25  ? 16.673  -18.045 -24.386 1.000 29.023  0 355 ARG EEE CB  1 ? 6  
ATOM   1149 C  CG  . ARG B 2 25  ? 17.632  -16.863 -24.326 1.000 31.607  0 355 ARG EEE CG  1 ? 6  
ATOM   1150 C  CD  . ARG B 2 25  ? 19.073  -17.293 -24.349 1.000 34.543  0 355 ARG EEE CD  1 ? 6  
ATOM   1151 N  NE  . ARG B 2 25  ? 19.456  -17.915 -23.091 1.000 35.525  0 355 ARG EEE NE  1 ? 6  
ATOM   1152 C  CZ  . ARG B 2 25  ? 20.688  -18.302 -22.793 1.000 37.762  0 355 ARG EEE CZ  1 ? 6  
ATOM   1153 N  NH1 . ARG B 2 25  ? 21.662  -18.153 -23.672 1.000 38.883  0 355 ARG EEE NH1 1 ? 6  
ATOM   1154 N  NH2 . ARG B 2 25  ? 20.957  -18.811 -21.608 1.000 36.661  0 355 ARG EEE NH2 1 ? 6  
ATOM   1155 N  N   . LYS B 2 26  ? 14.574  -15.359 -23.916 1.000 29.507  0 356 LYS EEE N   1 ? 6  
ATOM   1156 C  CA  . LYS B 2 26  ? 14.171  -14.047 -24.466 1.000 32.163  0 356 LYS EEE CA  1 ? 6  
ATOM   1157 C  C   . LYS B 2 26  ? 15.394  -13.135 -24.407 1.000 31.854  0 356 LYS EEE C   1 ? 6  
ATOM   1158 O  O   . LYS B 2 26  ? 15.933  -12.949 -23.310 1.000 30.774  0 356 LYS EEE O   1 ? 6  
ATOM   1159 C  CB  . LYS B 2 26  ? 12.986  -13.470 -23.686 1.000 36.789  0 356 LYS EEE CB  1 ? 6  
ATOM   1160 C  CG  . LYS B 2 26  ? 12.420  -12.160 -24.238 1.000 42.981  0 356 LYS EEE CG  1 ? 6  
ATOM   1161 C  CD  . LYS B 2 26  ? 11.385  -12.408 -25.306 1.000 56.142  0 356 LYS EEE CD  1 ? 6  
ATOM   1162 C  CE  . LYS B 2 26  ? 10.901  -11.168 -26.036 1.000 64.626  0 356 LYS EEE CE  1 ? 6  
ATOM   1163 N  NZ  . LYS B 2 26  ? 10.810  -10.002 -25.127 1.000 71.723  0 356 LYS EEE NZ  1 ? 6  
ATOM   1164 N  N   . ARG B 2 27  ? 15.789  -12.548 -25.523 1.000 30.860  0 357 ARG EEE N   1 ? 6  
ATOM   1165 C  CA  . ARG B 2 27  ? 16.834  -11.491 -25.542 1.000 31.689  0 357 ARG EEE CA  1 ? 6  
ATOM   1166 C  C   . ARG B 2 27  ? 16.195  -10.137 -25.241 1.000 33.320  0 357 ARG EEE C   1 ? 6  
ATOM   1167 O  O   . ARG B 2 27  ? 15.178  -9.810  -25.851 1.000 34.276  0 357 ARG EEE O   1 ? 6  
ATOM   1168 C  CB  . ARG B 2 27  ? 17.560  -11.445 -26.884 1.000 33.545  0 357 ARG EEE CB  1 ? 6  
ATOM   1169 C  CG  . ARG B 2 27  ? 18.684  -10.420 -26.913 1.000 34.859  0 357 ARG EEE CG  1 ? 6  
ATOM   1170 C  CD  . ARG B 2 27  ? 19.386  -10.471 -28.246 1.000 38.448  0 357 ARG EEE CD  1 ? 6  
ATOM   1171 N  NE  . ARG B 2 27  ? 18.498  -9.921  -29.252 1.000 37.852  0 357 ARG EEE NE  1 ? 6  
ATOM   1172 C  CZ  . ARG B 2 27  ? 18.482  -8.648  -29.636 1.000 41.760  0 357 ARG EEE CZ  1 ? 6  
ATOM   1173 N  NH1 . ARG B 2 27  ? 19.351  -7.770  -29.153 1.000 41.045  0 357 ARG EEE NH1 1 ? 6  
ATOM   1174 N  NH2 . ARG B 2 27  ? 17.631  -8.273  -30.580 1.000 41.149  0 357 ARG EEE NH2 1 ? 6  
ATOM   1175 N  N   . ILE B 2 28  ? 16.796  -9.372  -24.333 1.000 34.763  0 358 ILE EEE N   1 ? 6  
ATOM   1176 C  CA  . ILE B 2 28  ? 16.356  -8.001  -23.950 1.000 36.110  0 358 ILE EEE CA  1 ? 6  
ATOM   1177 C  C   . ILE B 2 28  ? 17.503  -7.040  -24.261 1.000 37.863  0 358 ILE EEE C   1 ? 6  
ATOM   1178 O  O   . ILE B 2 28  ? 18.648  -7.373  -23.932 1.000 37.840  0 358 ILE EEE O   1 ? 6  
ATOM   1179 C  CB  . ILE B 2 28  ? 15.945  -7.986  -22.469 1.000 37.017  0 358 ILE EEE CB  1 ? 6  
ATOM   1180 C  CG1 . ILE B 2 28  ? 14.661  -8.799  -22.271 1.000 38.945  0 358 ILE EEE CG1 1 ? 6  
ATOM   1181 C  CG2 . ILE B 2 28  ? 15.811  -6.559  -21.958 1.000 39.029  0 358 ILE EEE CG2 1 ? 6  
ATOM   1182 C  CD1 . ILE B 2 28  ? 14.419  -9.223  -20.853 1.000 42.936  0 358 ILE EEE CD1 1 ? 6  
ATOM   1183 N  N   . SER B 2 29  ? 17.217  -5.931  -24.933 1.000 39.764  0 359 SER EEE N   1 ? 6  
ATOM   1184 C  CA  . SER B 2 29  ? 18.219  -4.891  -25.275 1.000 44.479  0 359 SER EEE CA  1 ? 6  
ATOM   1185 C  C   . SER B 2 29  ? 17.548  -3.522  -25.373 1.000 43.370  0 359 SER EEE C   1 ? 6  
ATOM   1186 O  O   . SER B 2 29  ? 16.304  -3.474  -25.451 1.000 44.305  0 359 SER EEE O   1 ? 6  
ATOM   1187 C  CB  . SER B 2 29  ? 18.910  -5.217  -26.585 1.000 46.573  0 359 SER EEE CB  1 ? 6  
ATOM   1188 O  OG  . SER B 2 29  ? 17.918  -5.354  -27.588 1.000 49.021  0 359 SER EEE OG  1 ? 6  
ATOM   1189 N  N   . ASN B 2 30  ? 18.367  -2.471  -25.465 1.000 47.599  0 360 ASN EEE N   1 ? 6  
ATOM   1190 C  CA  . ASN B 2 30  ? 17.930  -1.107  -25.853 1.000 50.018  0 360 ASN EEE CA  1 ? 6  
ATOM   1191 C  C   . ASN B 2 30  ? 16.834  -0.653  -24.898 1.000 46.848  0 360 ASN EEE C   1 ? 6  
ATOM   1192 O  O   . ASN B 2 30  ? 15.762  -0.295  -25.378 1.000 46.571  0 360 ASN EEE O   1 ? 6  
ATOM   1193 C  CB  . ASN B 2 30  ? 17.390  -1.080  -27.284 1.000 55.611  0 360 ASN EEE CB  1 ? 6  
ATOM   1194 C  CG  . ASN B 2 30  ? 18.486  -1.249  -28.308 1.000 65.874  0 360 ASN EEE CG  1 ? 6  
ATOM   1195 O  OD1 . ASN B 2 30  ? 19.454  -0.493  -28.306 1.000 74.534  0 360 ASN EEE OD1 1 ? 6  
ATOM   1196 N  ND2 . ASN B 2 30  ? 18.337  -2.224  -29.191 1.000 73.792  0 360 ASN EEE ND2 1 ? 6  
ATOM   1197 N  N   . CYS B 2 31  ? 17.078  -0.699  -23.594 1.000 44.534  0 361 CYS EEE N   1 ? 6  
ATOM   1198 C  CA  . CYS B 2 31  ? 16.045  -0.352  -22.595 1.000 44.503  0 361 CYS EEE CA  1 ? 6  
ATOM   1199 C  C   . CYS B 2 31  ? 16.676  -0.151  -21.214 1.000 47.881  0 361 CYS EEE C   1 ? 6  
ATOM   1200 O  O   . CYS B 2 31  ? 17.850  -0.527  -21.024 1.000 45.999  0 361 CYS EEE O   1 ? 6  
ATOM   1201 C  CB  . CYS B 2 31  ? 14.972  -1.434  -22.558 1.000 42.494  0 361 CYS EEE CB  1 ? 6  
ATOM   1202 S  SG  . CYS B 2 31  ? 15.606  -3.092  -22.189 1.000 43.119  0 361 CYS EEE SG  1 ? 6  
ATOM   1203 N  N   . VAL B 2 32  ? 15.904  0.414   -20.285 1.000 47.505  0 362 VAL EEE N   1 ? 6  
ATOM   1204 C  CA  . VAL B 2 32  ? 16.326  0.606   -18.873 1.000 49.511  0 362 VAL EEE CA  1 ? 6  
ATOM   1205 C  C   . VAL B 2 32  ? 15.661  -0.476  -18.025 1.000 46.335  0 362 VAL EEE C   1 ? 6  
ATOM   1206 O  O   . VAL B 2 32  ? 14.445  -0.628  -18.107 1.000 49.555  0 362 VAL EEE O   1 ? 6  
ATOM   1207 C  CB  . VAL B 2 32  ? 16.004  2.030   -18.399 1.000 52.401  0 362 VAL EEE CB  1 ? 6  
ATOM   1208 C  CG1 . VAL B 2 32  ? 16.400  2.237   -16.940 1.000 54.447  0 362 VAL EEE CG1 1 ? 6  
ATOM   1209 C  CG2 . VAL B 2 32  ? 16.691  3.035   -19.302 1.000 55.182  0 362 VAL EEE CG2 1 ? 6  
ATOM   1210 N  N   . ALA B 2 33  ? 16.464  -1.230  -17.284 1.000 43.960  0 363 ALA EEE N   1 ? 6  
ATOM   1211 C  CA  . ALA B 2 33  ? 16.037  -2.373  -16.455 1.000 47.088  0 363 ALA EEE CA  1 ? 6  
ATOM   1212 C  C   . ALA B 2 33  ? 16.096  -1.952  -14.977 1.000 48.741  0 363 ALA EEE C   1 ? 6  
ATOM   1213 O  O   . ALA B 2 33  ? 17.189  -1.554  -14.563 1.000 53.035  0 363 ALA EEE O   1 ? 6  
ATOM   1214 C  CB  . ALA B 2 33  ? 16.951  -3.531  -16.750 1.000 45.841  0 363 ALA EEE CB  1 ? 6  
ATOM   1215 N  N   . ASP B 2 34  ? 14.993  -1.994  -14.212 1.000 49.922  0 364 ASP EEE N   1 ? 6  
ATOM   1216 C  CA  . ASP B 2 34  ? 15.062  -1.682  -12.753 1.000 49.350  0 364 ASP EEE CA  1 ? 6  
ATOM   1217 C  C   . ASP B 2 34  ? 15.060  -2.995  -11.972 1.000 45.845  0 364 ASP EEE C   1 ? 6  
ATOM   1218 O  O   . ASP B 2 34  ? 13.999  -3.457  -11.541 1.000 46.715  0 364 ASP EEE O   1 ? 6  
ATOM   1219 C  CB  . ASP B 2 34  ? 14.020  -0.674  -12.252 1.000 54.879  0 364 ASP EEE CB  1 ? 6  
ATOM   1220 C  CG  . ASP B 2 34  ? 14.403  -0.077  -10.883 1.000 60.667  0 364 ASP EEE CG  1 ? 6  
ATOM   1221 O  OD1 . ASP B 2 34  ? 15.130  -0.752  -10.082 1.000 54.388  0 364 ASP EEE OD1 1 ? 6  
ATOM   1222 O  OD2 . ASP B 2 34  ? 13.998  1.071   -10.610 1.000 68.430  0 364 ASP EEE OD2 1 ? 6  
ATOM   1223 N  N   . TYR B 2 35  ? 16.254  -3.538  -11.764 1.000 42.771  0 365 TYR EEE N   1 ? 6  
ATOM   1224 C  CA  . TYR B 2 35  ? 16.499  -4.820  -11.064 1.000 43.331  0 365 TYR EEE CA  1 ? 6  
ATOM   1225 C  C   . TYR B 2 35  ? 16.036  -4.713  -9.602  1.000 42.605  0 365 TYR EEE C   1 ? 6  
ATOM   1226 O  O   . TYR B 2 35  ? 15.610  -5.744  -9.094  1.000 43.273  0 365 TYR EEE O   1 ? 6  
ATOM   1227 C  CB  . TYR B 2 35  ? 17.972  -5.214  -11.188 1.000 43.525  0 365 TYR EEE CB  1 ? 6  
ATOM   1228 C  CG  . TYR B 2 35  ? 18.454  -5.280  -12.614 1.000 42.725  0 365 TYR EEE CG  1 ? 6  
ATOM   1229 C  CD1 . TYR B 2 35  ? 18.152  -6.377  -13.397 1.000 42.824  0 365 TYR EEE CD1 1 ? 6  
ATOM   1230 C  CD2 . TYR B 2 35  ? 19.171  -4.241  -13.188 1.000 43.018  0 365 TYR EEE CD2 1 ? 6  
ATOM   1231 C  CE1 . TYR B 2 35  ? 18.556  -6.454  -14.715 1.000 43.161  0 365 TYR EEE CE1 1 ? 6  
ATOM   1232 C  CE2 . TYR B 2 35  ? 19.595  -4.310  -14.509 1.000 44.054  0 365 TYR EEE CE2 1 ? 6  
ATOM   1233 C  CZ  . TYR B 2 35  ? 19.294  -5.425  -15.270 1.000 43.663  0 365 TYR EEE CZ  1 ? 6  
ATOM   1234 O  OH  . TYR B 2 35  ? 19.690  -5.536  -16.575 1.000 47.985  0 365 TYR EEE OH  1 ? 6  
ATOM   1235 N  N   . SER B 2 36  ? 16.110  -3.534  -8.978  1.000 45.016  0 366 SER EEE N   1 ? 6  
ATOM   1236 C  CA  . SER B 2 36  ? 15.734  -3.312  -7.551  1.000 48.399  0 366 SER EEE CA  1 ? 6  
ATOM   1237 C  C   . SER B 2 36  ? 14.214  -3.396  -7.378  1.000 47.811  0 366 SER EEE C   1 ? 6  
ATOM   1238 O  O   . SER B 2 36  ? 13.767  -4.001  -6.394  1.000 49.852  0 366 SER EEE O   1 ? 6  
ATOM   1239 C  CB  . SER B 2 36  ? 16.288  -2.016  -7.024  1.000 50.632  0 366 SER EEE CB  1 ? 6  
ATOM   1240 O  OG  . SER B 2 36  ? 17.681  -2.176  -6.847  1.000 53.651  0 366 SER EEE OG  1 ? 6  
ATOM   1241 N  N   . VAL B 2 37  ? 13.454  -2.835  -8.314  1.000 47.175  0 367 VAL EEE N   1 ? 6  
ATOM   1242 C  CA  . VAL B 2 37  ? 11.972  -2.965  -8.343  1.000 48.556  0 367 VAL EEE CA  1 ? 6  
ATOM   1243 C  C   . VAL B 2 37  ? 11.610  -4.452  -8.493  1.000 47.591  0 367 VAL EEE C   1 ? 6  
ATOM   1244 O  O   . VAL B 2 37  ? 10.759  -4.913  -7.728  1.000 46.681  0 367 VAL EEE O   1 ? 6  
ATOM   1245 C  CB  . VAL B 2 37  ? 11.371  -2.054  -9.431  1.000 50.767  0 367 VAL EEE CB  1 ? 6  
ATOM   1246 C  CG1 . VAL B 2 37  ? 9.929   -2.397  -9.777  1.000 49.893  0 367 VAL EEE CG1 1 ? 6  
ATOM   1247 C  CG2 . VAL B 2 37  ? 11.495  -0.595  -9.001  1.000 53.391  0 367 VAL EEE CG2 1 ? 6  
ATOM   1248 N  N   . LEU B 2 38  ? 12.251  -5.204  -9.397  1.000 45.085  0 368 LEU EEE N   1 ? 6  
ATOM   1249 C  CA  . LEU B 2 38  ? 12.025  -6.674  -9.507  1.000 42.135  0 368 LEU EEE CA  1 ? 6  
ATOM   1250 C  C   . LEU B 2 38  ? 12.346  -7.332  -8.156  1.000 42.523  0 368 LEU EEE C   1 ? 6  
ATOM   1251 O  O   . LEU B 2 38  ? 11.506  -8.137  -7.690  1.000 39.514  0 368 LEU EEE O   1 ? 6  
ATOM   1252 C  CB  . LEU B 2 38  ? 12.891  -7.288  -10.609 1.000 41.932  0 368 LEU EEE CB  1 ? 6  
ATOM   1253 C  CG  . LEU B 2 38  ? 12.572  -6.864  -12.042 1.000 45.332  0 368 LEU EEE CG  1 ? 6  
ATOM   1254 C  CD1 . LEU B 2 38  ? 13.462  -7.624  -13.013 1.000 48.395  0 368 LEU EEE CD1 1 ? 6  
ATOM   1255 C  CD2 . LEU B 2 38  ? 11.103  -7.082  -12.388 1.000 42.696  0 368 LEU EEE CD2 1 ? 6  
ATOM   1256 N  N   . TYR B 2 39  ? 13.518  -7.025  -7.581  1.000 40.745  0 369 TYR EEE N   1 ? 6  
ATOM   1257 C  CA  . TYR B 2 39  ? 14.029  -7.674  -6.347  1.000 46.921  0 369 TYR EEE CA  1 ? 6  
ATOM   1258 C  C   . TYR B 2 39  ? 13.041  -7.458  -5.183  1.000 46.396  0 369 TYR EEE C   1 ? 6  
ATOM   1259 O  O   . TYR B 2 39  ? 12.772  -8.414  -4.444  1.000 48.276  0 369 TYR EEE O   1 ? 6  
ATOM   1260 C  CB  . TYR B 2 39  ? 15.426  -7.201  -5.923  1.000 50.347  0 369 TYR EEE CB  1 ? 6  
ATOM   1261 C  CG  . TYR B 2 39  ? 15.837  -7.935  -4.674  1.000 52.678  0 369 TYR EEE CG  1 ? 6  
ATOM   1262 C  CD1 . TYR B 2 39  ? 16.163  -9.280  -4.741  1.000 49.990  0 369 TYR EEE CD1 1 ? 6  
ATOM   1263 C  CD2 . TYR B 2 39  ? 15.713  -7.361  -3.422  1.000 57.238  0 369 TYR EEE CD2 1 ? 6  
ATOM   1264 C  CE1 . TYR B 2 39  ? 16.449  -10.011 -3.603  1.000 50.278  0 369 TYR EEE CE1 1 ? 6  
ATOM   1265 C  CE2 . TYR B 2 39  ? 15.968  -8.085  -2.266  1.000 57.156  0 369 TYR EEE CE2 1 ? 6  
ATOM   1266 C  CZ  . TYR B 2 39  ? 16.343  -9.415  -2.355  1.000 54.681  0 369 TYR EEE CZ  1 ? 6  
ATOM   1267 O  OH  . TYR B 2 39  ? 16.619  -10.145 -1.230  1.000 52.027  0 369 TYR EEE OH  1 ? 6  
ATOM   1268 N  N   . ASN B 2 40  ? 12.482  -6.256  -5.055  1.000 45.744  0 370 ASN EEE N   1 ? 6  
ATOM   1269 C  CA  . ASN B 2 40  ? 11.598  -5.857  -3.932  1.000 50.318  0 370 ASN EEE CA  1 ? 6  
ATOM   1270 C  C   . ASN B 2 40  ? 10.142  -6.268  -4.179  1.000 50.269  0 370 ASN EEE C   1 ? 6  
ATOM   1271 O  O   . ASN B 2 40  ? 9.314   -5.991  -3.306  1.000 49.888  0 370 ASN EEE O   1 ? 6  
ATOM   1272 C  CB  . ASN B 2 40  ? 11.679  -4.349  -3.691  1.000 55.166  0 370 ASN EEE CB  1 ? 6  
ATOM   1273 C  CG  . ASN B 2 40  ? 13.076  -3.903  -3.311  1.000 59.474  0 370 ASN EEE CG  1 ? 6  
ATOM   1274 O  OD1 . ASN B 2 40  ? 13.733  -4.529  -2.484  1.000 64.064  0 370 ASN EEE OD1 1 ? 6  
ATOM   1275 N  ND2 . ASN B 2 40  ? 13.538  -2.823  -3.909  1.000 66.855  0 370 ASN EEE ND2 1 ? 6  
ATOM   1276 N  N   . SER B 2 41  ? 9.818   -6.878  -5.315  1.000 46.352  0 371 SER EEE N   1 ? 6  
ATOM   1277 C  CA  . SER B 2 41  ? 8.436   -7.330  -5.623  1.000 48.176  0 371 SER EEE CA  1 ? 6  
ATOM   1278 C  C   . SER B 2 41  ? 8.033   -8.550  -4.760  1.000 47.224  0 371 SER EEE C   1 ? 6  
ATOM   1279 O  O   . SER B 2 41  ? 8.750   -9.606  -4.774  1.000 41.956  0 371 SER EEE O   1 ? 6  
ATOM   1280 C  CB  . SER B 2 41  ? 8.285   -7.623  -7.096  1.000 44.490  0 371 SER EEE CB  1 ? 6  
ATOM   1281 O  OG  . SER B 2 41  ? 7.019   -8.195  -7.347  1.000 46.517  0 371 SER EEE OG  1 ? 6  
ATOM   1282 N  N   . ALA B 2 42  ? 6.879   -8.450  -4.098  1.000 46.023  0 372 ALA EEE N   1 ? 6  
ATOM   1283 C  CA  . ALA B 2 42  ? 6.262   -9.540  -3.300  1.000 48.967  0 372 ALA EEE CA  1 ? 6  
ATOM   1284 C  C   . ALA B 2 42  ? 5.721   -10.657 -4.202  1.000 47.946  0 372 ALA EEE C   1 ? 6  
ATOM   1285 O  O   . ALA B 2 42  ? 5.387   -11.717 -3.678  1.000 51.600  0 372 ALA EEE O   1 ? 6  
ATOM   1286 C  CB  . ALA B 2 42  ? 5.169   -8.986  -2.403  1.000 50.816  0 372 ALA EEE CB  1 ? 6  
ATOM   1287 N  N   . SER B 2 43  ? 5.641   -10.462 -5.518  1.000 49.107  0 373 SER EEE N   1 ? 6  
ATOM   1288 C  CA  . SER B 2 43  ? 5.177   -11.516 -6.460  1.000 47.302  0 373 SER EEE CA  1 ? 6  
ATOM   1289 C  C   . SER B 2 43  ? 6.181   -12.671 -6.497  1.000 44.655  0 373 SER EEE C   1 ? 6  
ATOM   1290 O  O   . SER B 2 43  ? 5.766   -13.763 -6.861  1.000 45.099  0 373 SER EEE O   1 ? 6  
ATOM   1291 C  CB  . SER B 2 43  ? 4.971   -10.969 -7.850  1.000 49.179  0 373 SER EEE CB  1 ? 6  
ATOM   1292 O  OG  . SER B 2 43  ? 4.124   -9.836  -7.822  1.000 52.136  0 373 SER EEE OG  1 ? 6  
ATOM   1293 N  N   . PHE B 2 44  ? 7.469   -12.419 -6.238  1.000 39.941  0 374 PHE EEE N   1 ? 6  
ATOM   1294 C  CA  . PHE B 2 44  ? 8.540   -13.437 -6.359  1.000 37.924  0 374 PHE EEE CA  1 ? 6  
ATOM   1295 C  C   . PHE B 2 44  ? 8.858   -13.976 -4.969  1.000 39.546  0 374 PHE EEE C   1 ? 6  
ATOM   1296 O  O   . PHE B 2 44  ? 9.116   -13.174 -4.100  1.000 40.598  0 374 PHE EEE O   1 ? 6  
ATOM   1297 C  CB  . PHE B 2 44  ? 9.776   -12.869 -7.049  1.000 37.466  0 374 PHE EEE CB  1 ? 6  
ATOM   1298 C  CG  . PHE B 2 44  ? 9.496   -12.183 -8.359  1.000 35.224  0 374 PHE EEE CG  1 ? 6  
ATOM   1299 C  CD1 . PHE B 2 44  ? 8.742   -12.808 -9.339  1.000 34.546  0 374 PHE EEE CD1 1 ? 6  
ATOM   1300 C  CD2 . PHE B 2 44  ? 9.956   -10.901 -8.599  1.000 35.972  0 374 PHE EEE CD2 1 ? 6  
ATOM   1301 C  CE1 . PHE B 2 44  ? 8.496   -12.187 -10.554 1.000 35.286  0 374 PHE EEE CE1 1 ? 6  
ATOM   1302 C  CE2 . PHE B 2 44  ? 9.676   -10.262 -9.794  1.000 36.544  0 374 PHE EEE CE2 1 ? 6  
ATOM   1303 C  CZ  . PHE B 2 44  ? 8.969   -10.918 -10.783 1.000 38.537  0 374 PHE EEE CZ  1 ? 6  
ATOM   1304 N  N   . SER B 2 45  ? 8.830   -15.297 -4.790  1.000 37.272  0 375 SER EEE N   1 ? 6  
ATOM   1305 C  CA  . SER B 2 45  ? 9.140   -15.970 -3.499  1.000 39.911  0 375 SER EEE CA  1 ? 6  
ATOM   1306 C  C   . SER B 2 45  ? 10.616  -16.416 -3.505  1.000 38.370  0 375 SER EEE C   1 ? 6  
ATOM   1307 O  O   . SER B 2 45  ? 11.213  -16.552 -2.428  1.000 39.333  0 375 SER EEE O   1 ? 6  
ATOM   1308 C  CB  . SER B 2 45  ? 8.169   -17.106 -3.263  1.000 39.004  0 375 SER EEE CB  1 ? 6  
ATOM   1309 O  OG  . SER B 2 45  ? 8.056   -17.933 -4.422  1.000 34.378  0 375 SER EEE OG  1 ? 6  
ATOM   1310 N  N   . THR B 2 46  ? 11.204  -16.589 -4.693  1.000 35.307  0 376 THR EEE N   1 ? 6  
ATOM   1311 C  CA  . THR B 2 46  ? 12.651  -16.834 -4.868  1.000 36.727  0 376 THR EEE CA  1 ? 6  
ATOM   1312 C  C   . THR B 2 46  ? 13.227  -15.674 -5.689  1.000 37.125  0 376 THR EEE C   1 ? 6  
ATOM   1313 O  O   . THR B 2 46  ? 12.675  -15.357 -6.758  1.000 34.094  0 376 THR EEE O   1 ? 6  
ATOM   1314 C  CB  . THR B 2 46  ? 12.932  -18.152 -5.604  1.000 40.069  0 376 THR EEE CB  1 ? 6  
ATOM   1315 O  OG1 . THR B 2 46  ? 12.353  -19.265 -4.934  1.000 36.770  0 376 THR EEE OG1 1 ? 6  
ATOM   1316 C  CG2 . THR B 2 46  ? 14.416  -18.401 -5.755  1.000 40.814  0 376 THR EEE CG2 1 ? 6  
ATOM   1317 N  N   . PHE B 2 47  ? 14.314  -15.072 -5.231  1.000 35.546  0 377 PHE EEE N   1 ? 6  
ATOM   1318 C  CA  . PHE B 2 47  ? 15.053  -14.049 -6.004  1.000 34.299  0 377 PHE EEE CA  1 ? 6  
ATOM   1319 C  C   . PHE B 2 47  ? 16.484  -14.062 -5.485  1.000 35.558  0 377 PHE EEE C   1 ? 6  
ATOM   1320 O  O   . PHE B 2 47  ? 16.749  -13.464 -4.425  1.000 34.738  0 377 PHE EEE O   1 ? 6  
ATOM   1321 C  CB  . PHE B 2 47  ? 14.386  -12.676 -5.893  1.000 36.021  0 377 PHE EEE CB  1 ? 6  
ATOM   1322 C  CG  . PHE B 2 47  ? 14.679  -11.767 -7.059  1.000 37.253  0 377 PHE EEE CG  1 ? 6  
ATOM   1323 C  CD1 . PHE B 2 47  ? 15.981  -11.502 -7.443  1.000 39.289  0 377 PHE EEE CD1 1 ? 6  
ATOM   1324 C  CD2 . PHE B 2 47  ? 13.651  -11.201 -7.799  1.000 38.944  0 377 PHE EEE CD2 1 ? 6  
ATOM   1325 C  CE1 . PHE B 2 47  ? 16.246  -10.669 -8.522  1.000 40.009  0 377 PHE EEE CE1 1 ? 6  
ATOM   1326 C  CE2 . PHE B 2 47  ? 13.918  -10.385 -8.894  1.000 37.675  0 377 PHE EEE CE2 1 ? 6  
ATOM   1327 C  CZ  . PHE B 2 47  ? 15.214  -10.124 -9.248  1.000 38.218  0 377 PHE EEE CZ  1 ? 6  
ATOM   1328 N  N   . LYS B 2 48  ? 17.360  -14.767 -6.191  1.000 35.128  0 378 LYS EEE N   1 ? 6  
ATOM   1329 C  CA  . LYS B 2 48  ? 18.761  -14.989 -5.776  1.000 36.480  0 378 LYS EEE CA  1 ? 6  
ATOM   1330 C  C   . LYS B 2 48  ? 19.709  -14.582 -6.894  1.000 35.790  0 378 LYS EEE C   1 ? 6  
ATOM   1331 O  O   . LYS B 2 48  ? 19.585  -15.155 -7.985  1.000 33.579  0 378 LYS EEE O   1 ? 6  
ATOM   1332 C  CB  . LYS B 2 48  ? 18.986  -16.463 -5.460  1.000 37.962  0 378 LYS EEE CB  1 ? 6  
ATOM   1333 C  CG  . LYS B 2 48  ? 18.180  -16.979 -4.280  1.000 40.091  0 378 LYS EEE CG  1 ? 6  
ATOM   1334 C  CD  . LYS B 2 48  ? 18.453  -18.425 -3.992  1.000 40.919  0 378 LYS EEE CD  1 ? 6  
ATOM   1335 C  CE  . LYS B 2 48  ? 18.042  -19.315 -5.128  1.000 41.650  0 378 LYS EEE CE  1 ? 6  
ATOM   1336 N  NZ  . LYS B 2 48  ? 17.962  -20.732 -4.710  1.000 45.579  0 378 LYS EEE NZ  1 ? 6  
ATOM   1337 N  N   . CYS B 2 49  ? 20.641  -13.671 -6.611  1.000 36.417  0 379 CYS EEE N   1 ? 6  
ATOM   1338 C  CA  . CYS B 2 49  ? 21.705  -13.280 -7.569  1.000 36.996  0 379 CYS EEE CA  1 ? 6  
ATOM   1339 C  C   . CYS B 2 49  ? 23.051  -13.879 -7.149  1.000 36.955  0 379 CYS EEE C   1 ? 6  
ATOM   1340 O  O   . CYS B 2 49  ? 23.377  -13.923 -5.914  1.000 37.317  0 379 CYS EEE O   1 ? 6  
ATOM   1341 C  CB  . CYS B 2 49  ? 21.753  -11.769 -7.771  1.000 40.350  0 379 CYS EEE CB  1 ? 6  
ATOM   1342 S  SG  . CYS B 2 49  ? 20.179  -11.076 -8.350  1.000 42.667  0 379 CYS EEE SG  1 ? 6  
ATOM   1343 N  N   . TYR B 2 50  ? 23.811  -14.292 -8.160  1.000 35.765  0 380 TYR EEE N   1 ? 6  
ATOM   1344 C  CA  . TYR B 2 50  ? 25.166  -14.892 -8.099  1.000 38.126  0 380 TYR EEE CA  1 ? 6  
ATOM   1345 C  C   . TYR B 2 50  ? 26.150  -13.999 -8.863  1.000 39.975  0 380 TYR EEE C   1 ? 6  
ATOM   1346 O  O   . TYR B 2 50  ? 25.804  -13.505 -9.995  1.000 38.786  0 380 TYR EEE O   1 ? 6  
ATOM   1347 C  CB  . TYR B 2 50  ? 25.107  -16.299 -8.693  1.000 38.048  0 380 TYR EEE CB  1 ? 6  
ATOM   1348 C  CG  . TYR B 2 50  ? 24.167  -17.220 -7.961  1.000 37.445  0 380 TYR EEE CG  1 ? 6  
ATOM   1349 C  CD1 . TYR B 2 50  ? 22.820  -17.240 -8.254  1.000 35.778  0 380 TYR EEE CD1 1 ? 6  
ATOM   1350 C  CD2 . TYR B 2 50  ? 24.620  -18.013 -6.910  1.000 40.243  0 380 TYR EEE CD2 1 ? 6  
ATOM   1351 C  CE1 . TYR B 2 50  ? 21.938  -18.046 -7.553  1.000 37.290  0 380 TYR EEE CE1 1 ? 6  
ATOM   1352 C  CE2 . TYR B 2 50  ? 23.755  -18.852 -6.222  1.000 41.584  0 380 TYR EEE CE2 1 ? 6  
ATOM   1353 C  CZ  . TYR B 2 50  ? 22.408  -18.865 -6.543  1.000 38.950  0 380 TYR EEE CZ  1 ? 6  
ATOM   1354 O  OH  . TYR B 2 50  ? 21.534  -19.654 -5.858  1.000 40.597  0 380 TYR EEE OH  1 ? 6  
ATOM   1355 N  N   . GLY B 2 51  ? 27.322  -13.763 -8.263  1.000 43.093  0 381 GLY EEE N   1 ? 6  
ATOM   1356 C  CA  . GLY B 2 51  ? 28.429  -12.978 -8.847  1.000 46.385  0 381 GLY EEE CA  1 ? 6  
ATOM   1357 C  C   . GLY B 2 51  ? 28.096  -11.493 -8.932  1.000 49.120  0 381 GLY EEE C   1 ? 6  
ATOM   1358 O  O   . GLY B 2 51  ? 28.940  -10.714 -9.355  1.000 53.009  0 381 GLY EEE O   1 ? 6  
ATOM   1359 N  N   . VAL B 2 52  ? 26.888  -11.107 -8.547  1.000 47.048  0 382 VAL EEE N   1 ? 6  
ATOM   1360 C  CA  . VAL B 2 52  ? 26.391  -9.714  -8.677  1.000 48.197  0 382 VAL EEE CA  1 ? 6  
ATOM   1361 C  C   . VAL B 2 52  ? 25.175  -9.594  -7.755  1.000 47.766  0 382 VAL EEE C   1 ? 6  
ATOM   1362 O  O   . VAL B 2 52  ? 24.677  -10.628 -7.298  1.000 46.990  0 382 VAL EEE O   1 ? 6  
ATOM   1363 C  CB  . VAL B 2 52  ? 26.084  -9.384  -10.149 1.000 47.680  0 382 VAL EEE CB  1 ? 6  
ATOM   1364 C  CG1 . VAL B 2 52  ? 24.822  -10.069 -10.646 1.000 48.298  0 382 VAL EEE CG1 1 ? 6  
ATOM   1365 C  CG2 . VAL B 2 52  ? 26.014  -7.892  -10.385 1.000 50.810  0 382 VAL EEE CG2 1 ? 6  
ATOM   1366 N  N   . SER B 2 53  ? 24.768  -8.376  -7.434  1.000 50.487  0 383 SER EEE N   1 ? 6  
ATOM   1367 C  CA  . SER B 2 53  ? 23.550  -8.100  -6.638  1.000 48.193  0 383 SER EEE CA  1 ? 6  
ATOM   1368 C  C   . SER B 2 53  ? 22.685  -7.138  -7.430  1.000 49.634  0 383 SER EEE C   1 ? 6  
ATOM   1369 O  O   . SER B 2 53  ? 23.174  -6.500  -8.369  1.000 49.235  0 383 SER EEE O   1 ? 6  
ATOM   1370 C  CB  . SER B 2 53  ? 23.891  -7.534  -5.308  1.000 48.447  0 383 SER EEE CB  1 ? 6  
ATOM   1371 O  OG  . SER B 2 53  ? 24.317  -6.182  -5.438  1.000 45.974  0 383 SER EEE OG  1 ? 6  
ATOM   1372 N  N   . PRO B 2 54  ? 21.387  -7.031  -7.075  1.000 49.372  0 384 PRO EEE N   1 ? 6  
ATOM   1373 C  CA  . PRO B 2 54  ? 20.482  -6.094  -7.747  1.000 49.967  0 384 PRO EEE CA  1 ? 6  
ATOM   1374 C  C   . PRO B 2 54  ? 20.956  -4.637  -7.687  1.000 49.866  0 384 PRO EEE C   1 ? 6  
ATOM   1375 O  O   . PRO B 2 54  ? 20.766  -3.950  -8.669  1.000 51.286  0 384 PRO EEE O   1 ? 6  
ATOM   1376 C  CB  . PRO B 2 54  ? 19.141  -6.302  -7.022  1.000 52.858  0 384 PRO EEE CB  1 ? 6  
ATOM   1377 C  CG  . PRO B 2 54  ? 19.236  -7.720  -6.491  1.000 49.844  0 384 PRO EEE CG  1 ? 6  
ATOM   1378 C  CD  . PRO B 2 54  ? 20.692  -7.904  -6.118  1.000 48.178  0 384 PRO EEE CD  1 ? 6  
ATOM   1379 N  N   . THR B 2 55  ? 21.546  -4.190  -6.570  1.000 48.121  0 385 THR EEE N   1 ? 6  
ATOM   1380 C  CA  . THR B 2 55  ? 22.102  -2.822  -6.461  1.000 49.104  0 385 THR EEE CA  1 ? 6  
ATOM   1381 C  C   . THR B 2 55  ? 23.202  -2.658  -7.509  1.000 49.337  0 385 THR EEE C   1 ? 6  
ATOM   1382 O  O   . THR B 2 55  ? 23.234  -1.622  -8.164  1.000 51.933  0 385 THR EEE O   1 ? 6  
ATOM   1383 C  CB  . THR B 2 55  ? 22.658  -2.497  -5.065  1.000 50.432  0 385 THR EEE CB  1 ? 6  
ATOM   1384 O  OG1 . THR B 2 55  ? 21.610  -2.709  -4.124  1.000 54.832  0 385 THR EEE OG1 1 ? 6  
ATOM   1385 C  CG2 . THR B 2 55  ? 23.147  -1.073  -4.933  1.000 50.373  0 385 THR EEE CG2 1 ? 6  
ATOM   1386 N  N   . LYS B 2 56  ? 24.108  -3.622  -7.622  1.000 49.083  0 386 LYS EEE N   1 ? 6  
ATOM   1387 C  CA  . LYS B 2 56  ? 25.209  -3.515  -8.609  1.000 52.736  0 386 LYS EEE CA  1 ? 6  
ATOM   1388 C  C   . LYS B 2 56  ? 24.589  -3.486  -10.023 1.000 47.102  0 386 LYS EEE C   1 ? 6  
ATOM   1389 O  O   . LYS B 2 56  ? 25.007  -2.630  -10.813 1.000 46.162  0 386 LYS EEE O   1 ? 6  
ATOM   1390 C  CB  . LYS B 2 56  ? 26.242  -4.623  -8.378  1.000 57.888  0 386 LYS EEE CB  1 ? 6  
ATOM   1391 C  CG  . LYS B 2 56  ? 27.486  -4.527  -9.256  1.000 66.014  0 386 LYS EEE CG  1 ? 6  
ATOM   1392 C  CD  . LYS B 2 56  ? 28.706  -5.202  -8.661  1.000 74.959  0 386 LYS EEE CD  1 ? 6  
ATOM   1393 C  CE  . LYS B 2 56  ? 30.003  -4.547  -9.079  1.000 83.634  0 386 LYS EEE CE  1 ? 6  
ATOM   1394 N  NZ  . LYS B 2 56  ? 31.111  -5.531  -9.088  1.000 88.975  0 386 LYS EEE NZ  1 ? 6  
ATOM   1395 N  N   . LEU B 2 57  ? 23.596  -4.335  -10.328 1.000 43.314  0 387 LEU EEE N   1 ? 6  
ATOM   1396 C  CA  . LEU B 2 57  ? 22.991  -4.405  -11.698 1.000 43.708  0 387 LEU EEE CA  1 ? 6  
ATOM   1397 C  C   . LEU B 2 57  ? 22.336  -3.060  -12.033 1.000 45.315  0 387 LEU EEE C   1 ? 6  
ATOM   1398 O  O   . LEU B 2 57  ? 22.449  -2.624  -13.201 1.000 43.656  0 387 LEU EEE O   1 ? 6  
ATOM   1399 C  CB  . LEU B 2 57  ? 21.981  -5.553  -11.792 1.000 42.793  0 387 LEU EEE CB  1 ? 6  
ATOM   1400 C  CG  . LEU B 2 57  ? 22.580  -6.953  -11.778 1.000 41.641  0 387 LEU EEE CG  1 ? 6  
ATOM   1401 C  CD1 . LEU B 2 57  ? 21.486  -7.995  -11.678 1.000 42.902  0 387 LEU EEE CD1 1 ? 6  
ATOM   1402 C  CD2 . LEU B 2 57  ? 23.429  -7.200  -13.012 1.000 43.374  0 387 LEU EEE CD2 1 ? 6  
ATOM   1403 N  N   . ASN B 2 58  ? 21.760  -2.380  -11.033 1.000 44.746  0 388 ASN EEE N   1 ? 6  
ATOM   1404 C  CA  . ASN B 2 58  ? 21.164  -1.026  -11.205 1.000 48.374  0 388 ASN EEE CA  1 ? 6  
ATOM   1405 C  C   . ASN B 2 58  ? 22.210  -0.027  -11.695 1.000 51.500  0 388 ASN EEE C   1 ? 6  
ATOM   1406 O  O   . ASN B 2 58  ? 21.801  1.043   -12.205 1.000 52.106  0 388 ASN EEE O   1 ? 6  
ATOM   1407 C  CB  . ASN B 2 58  ? 20.501  -0.509  -9.923  1.000 51.315  0 388 ASN EEE CB  1 ? 6  
ATOM   1408 C  CG  . ASN B 2 58  ? 19.036  -0.871  -9.884  1.000 48.368  0 388 ASN EEE CG  1 ? 6  
ATOM   1409 O  OD1 . ASN B 2 58  ? 18.615  -1.780  -10.570 1.000 49.300  0 388 ASN EEE OD1 1 ? 6  
ATOM   1410 N  ND2 . ASN B 2 58  ? 18.247  -0.133  -9.141  1.000 54.122  0 388 ASN EEE ND2 1 ? 6  
ATOM   1411 N  N   . ASP B 2 59  ? 23.503  -0.329  -11.528 1.000 51.826  0 389 ASP EEE N   1 ? 6  
ATOM   1412 C  CA  . ASP B 2 59  ? 24.591  0.624   -11.860 1.000 52.147  0 389 ASP EEE CA  1 ? 6  
ATOM   1413 C  C   . ASP B 2 59  ? 25.460  0.068   -12.994 1.000 49.529  0 389 ASP EEE C   1 ? 6  
ATOM   1414 O  O   . ASP B 2 59  ? 26.578  0.566   -13.150 1.000 51.070  0 389 ASP EEE O   1 ? 6  
ATOM   1415 C  CB  . ASP B 2 59  ? 25.421  0.970   -10.616 1.000 55.953  0 389 ASP EEE CB  1 ? 6  
ATOM   1416 C  CG  . ASP B 2 59  ? 26.263  2.216   -10.812 1.000 60.840  0 389 ASP EEE CG  1 ? 6  
ATOM   1417 O  OD1 . ASP B 2 59  ? 25.804  3.118   -11.549 1.000 60.837  0 389 ASP EEE OD1 1 ? 6  
ATOM   1418 O  OD2 . ASP B 2 59  ? 27.377  2.262   -10.257 1.000 66.818  0 389 ASP EEE OD2 1 ? 6  
ATOM   1419 N  N   . LEU B 2 60  ? 24.944  -0.865  -13.793 1.000 47.404  0 390 LEU EEE N   1 ? 6  
ATOM   1420 C  CA  . LEU B 2 60  ? 25.713  -1.542  -14.869 1.000 48.849  0 390 LEU EEE CA  1 ? 6  
ATOM   1421 C  C   . LEU B 2 60  ? 24.962  -1.458  -16.204 1.000 48.734  0 390 LEU EEE C   1 ? 6  
ATOM   1422 O  O   . LEU B 2 60  ? 23.716  -1.402  -16.201 1.000 47.511  0 390 LEU EEE O   1 ? 6  
ATOM   1423 C  CB  . LEU B 2 60  ? 25.967  -2.999  -14.465 1.000 47.187  0 390 LEU EEE CB  1 ? 6  
ATOM   1424 C  CG  . LEU B 2 60  ? 27.101  -3.218  -13.462 1.000 50.818  0 390 LEU EEE CG  1 ? 6  
ATOM   1425 C  CD1 . LEU B 2 60  ? 27.249  -4.689  -13.120 1.000 51.963  0 390 LEU EEE CD1 1 ? 6  
ATOM   1426 C  CD2 . LEU B 2 60  ? 28.421  -2.657  -13.979 1.000 53.552  0 390 LEU EEE CD2 1 ? 6  
ATOM   1427 N  N   . CYS B 2 61  ? 25.710  -1.486  -17.307 1.000 47.463  0 391 CYS EEE N   1 ? 6  
ATOM   1428 C  CA  . CYS B 2 61  ? 25.188  -1.527  -18.695 1.000 47.792  0 391 CYS EEE CA  1 ? 6  
ATOM   1429 C  C   . CYS B 2 61  ? 25.711  -2.802  -19.356 1.000 47.517  0 391 CYS EEE C   1 ? 6  
ATOM   1430 O  O   . CYS B 2 61  ? 26.858  -3.155  -19.107 1.000 45.292  0 391 CYS EEE O   1 ? 6  
ATOM   1431 C  CB  . CYS B 2 61  ? 25.605  -0.303  -19.502 1.000 52.931  0 391 CYS EEE CB  1 ? 6  
ATOM   1432 S  SG  . CYS B 2 61  ? 24.735  1.218   -19.020 1.000 61.278  0 391 CYS EEE SG  1 ? 6  
ATOM   1433 N  N   . PHE B 2 62  ? 24.869  -3.465  -20.148 1.000 43.083  0 392 PHE EEE N   1 ? 6  
ATOM   1434 C  CA  . PHE B 2 62  ? 25.195  -4.709  -20.876 1.000 41.558  0 392 PHE EEE CA  1 ? 6  
ATOM   1435 C  C   . PHE B 2 62  ? 24.713  -4.535  -22.318 1.000 41.812  0 392 PHE EEE C   1 ? 6  
ATOM   1436 O  O   . PHE B 2 62  ? 23.862  -3.666  -22.611 1.000 41.027  0 392 PHE EEE O   1 ? 6  
ATOM   1437 C  CB  . PHE B 2 62  ? 24.572  -5.931  -20.191 1.000 41.036  0 392 PHE EEE CB  1 ? 6  
ATOM   1438 C  CG  . PHE B 2 62  ? 25.118  -6.207  -18.808 1.000 42.122  0 392 PHE EEE CG  1 ? 6  
ATOM   1439 C  CD1 . PHE B 2 62  ? 26.359  -6.804  -18.640 1.000 46.111  0 392 PHE EEE CD1 1 ? 6  
ATOM   1440 C  CD2 . PHE B 2 62  ? 24.416  -5.831  -17.676 1.000 44.754  0 392 PHE EEE CD2 1 ? 6  
ATOM   1441 C  CE1 . PHE B 2 62  ? 26.892  -7.011  -17.374 1.000 47.806  0 392 PHE EEE CE1 1 ? 6  
ATOM   1442 C  CE2 . PHE B 2 62  ? 24.943  -6.049  -16.411 1.000 43.874  0 392 PHE EEE CE2 1 ? 6  
ATOM   1443 C  CZ  . PHE B 2 62  ? 26.175  -6.642  -16.263 1.000 45.620  0 392 PHE EEE CZ  1 ? 6  
ATOM   1444 N  N   . THR B 2 63  ? 25.270  -5.335  -23.212 1.000 39.935  0 393 THR EEE N   1 ? 6  
ATOM   1445 C  CA  . THR B 2 63  ? 24.852  -5.360  -24.630 1.000 39.493  0 393 THR EEE CA  1 ? 6  
ATOM   1446 C  C   . THR B 2 63  ? 23.485  -6.056  -24.703 1.000 37.269  0 393 THR EEE C   1 ? 6  
ATOM   1447 O  O   . THR B 2 63  ? 22.600  -5.543  -25.372 1.000 39.323  0 393 THR EEE O   1 ? 6  
ATOM   1448 C  CB  . THR B 2 63  ? 25.872  -6.106  -25.487 1.000 38.406  0 393 THR EEE CB  1 ? 6  
ATOM   1449 O  OG1 . THR B 2 63  ? 27.189  -5.679  -25.142 1.000 38.947  0 393 THR EEE OG1 1 ? 6  
ATOM   1450 C  CG2 . THR B 2 63  ? 25.614  -5.866  -26.956 1.000 40.144  0 393 THR EEE CG2 1 ? 6  
ATOM   1451 N  N   . ASN B 2 64  ? 23.376  -7.218  -24.073 1.000 35.772  0 394 ASN EEE N   1 ? 6  
ATOM   1452 C  CA  . ASN B 2 64  ? 22.138  -8.028  -24.033 1.000 36.060  0 394 ASN EEE CA  1 ? 6  
ATOM   1453 C  C   . ASN B 2 64  ? 21.945  -8.586  -22.632 1.000 34.610  0 394 ASN EEE C   1 ? 6  
ATOM   1454 O  O   . ASN B 2 64  ? 22.927  -8.926  -21.981 1.000 35.059  0 394 ASN EEE O   1 ? 6  
ATOM   1455 C  CB  . ASN B 2 64  ? 22.169  -9.194  -25.021 1.000 35.222  0 394 ASN EEE CB  1 ? 6  
ATOM   1456 C  CG  . ASN B 2 64  ? 22.325  -8.716  -26.446 1.000 38.176  0 394 ASN EEE CG  1 ? 6  
ATOM   1457 O  OD1 . ASN B 2 64  ? 21.438  -8.045  -26.956 1.000 39.523  0 394 ASN EEE OD1 1 ? 6  
ATOM   1458 N  ND2 . ASN B 2 64  ? 23.451  -9.025  -27.077 1.000 40.282  0 394 ASN EEE ND2 1 ? 6  
ATOM   1459 N  N   . VAL B 2 65  ? 20.682  -8.732  -22.259 1.000 33.695  0 395 VAL EEE N   1 ? 6  
ATOM   1460 C  CA  . VAL B 2 65  ? 20.239  -9.544  -21.112 1.000 32.701  0 395 VAL EEE CA  1 ? 6  
ATOM   1461 C  C   . VAL B 2 65  ? 19.409  -10.683 -21.689 1.000 31.396  0 395 VAL EEE C   1 ? 6  
ATOM   1462 O  O   . VAL B 2 65  ? 18.644  -10.452 -22.629 1.000 32.705  0 395 VAL EEE O   1 ? 6  
ATOM   1463 C  CB  . VAL B 2 65  ? 19.483  -8.644  -20.123 1.000 34.384  0 395 VAL EEE CB  1 ? 6  
ATOM   1464 C  CG1 . VAL B 2 65  ? 18.801  -9.438  -19.031 1.000 33.162  0 395 VAL EEE CG1 1 ? 6  
ATOM   1465 C  CG2 . VAL B 2 65  ? 20.417  -7.591  -19.537 1.000 37.563  0 395 VAL EEE CG2 1 ? 6  
ATOM   1466 N  N   . TYR B 2 66  ? 19.603  -11.885 -21.176 1.000 30.204  0 396 TYR EEE N   1 ? 6  
ATOM   1467 C  CA  . TYR B 2 66  ? 18.791  -13.061 -21.544 1.000 31.618  0 396 TYR EEE CA  1 ? 6  
ATOM   1468 C  C   . TYR B 2 66  ? 17.916  -13.453 -20.364 1.000 32.257  0 396 TYR EEE C   1 ? 6  
ATOM   1469 O  O   . TYR B 2 66  ? 18.432  -13.534 -19.229 1.000 32.988  0 396 TYR EEE O   1 ? 6  
ATOM   1470 C  CB  . TYR B 2 66  ? 19.710  -14.179 -22.035 1.000 31.062  0 396 TYR EEE CB  1 ? 6  
ATOM   1471 C  CG  . TYR B 2 66  ? 20.493  -13.730 -23.238 1.000 30.529  0 396 TYR EEE CG  1 ? 6  
ATOM   1472 C  CD1 . TYR B 2 66  ? 19.910  -13.679 -24.501 1.000 30.772  0 396 TYR EEE CD1 1 ? 6  
ATOM   1473 C  CD2 . TYR B 2 66  ? 21.807  -13.308 -23.106 1.000 32.817  0 396 TYR EEE CD2 1 ? 6  
ATOM   1474 C  CE1 . TYR B 2 66  ? 20.632  -13.255 -25.606 1.000 32.161  0 396 TYR EEE CE1 1 ? 6  
ATOM   1475 C  CE2 . TYR B 2 66  ? 22.537  -12.882 -24.201 1.000 33.944  0 396 TYR EEE CE2 1 ? 6  
ATOM   1476 C  CZ  . TYR B 2 66  ? 21.949  -12.862 -25.456 1.000 33.165  0 396 TYR EEE CZ  1 ? 6  
ATOM   1477 O  OH  . TYR B 2 66  ? 22.684  -12.446 -26.519 1.000 34.121  0 396 TYR EEE OH  1 ? 6  
ATOM   1478 N  N   . ALA B 2 67  ? 16.636  -13.679 -20.643 1.000 30.689  0 397 ALA EEE N   1 ? 6  
ATOM   1479 C  CA  . ALA B 2 67  ? 15.657  -14.151 -19.650 1.000 30.148  0 397 ALA EEE CA  1 ? 6  
ATOM   1480 C  C   . ALA B 2 67  ? 15.216  -15.545 -20.089 1.000 28.051  0 397 ALA EEE C   1 ? 6  
ATOM   1481 O  O   . ALA B 2 67  ? 14.543  -15.649 -21.117 1.000 29.738  0 397 ALA EEE O   1 ? 6  
ATOM   1482 C  CB  . ALA B 2 67  ? 14.522  -13.166 -19.548 1.000 33.129  0 397 ALA EEE CB  1 ? 6  
ATOM   1483 N  N   . ASP B 2 68  ? 15.701  -16.567 -19.386 1.000 27.831  0 398 ASP EEE N   1 ? 6  
ATOM   1484 C  CA  . ASP B 2 68  ? 15.347  -17.982 -19.615 1.000 27.457  0 398 ASP EEE CA  1 ? 6  
ATOM   1485 C  C   . ASP B 2 68  ? 14.143  -18.299 -18.743 1.000 29.847  0 398 ASP EEE C   1 ? 6  
ATOM   1486 O  O   . ASP B 2 68  ? 14.132  -17.871 -17.566 1.000 31.503  0 398 ASP EEE O   1 ? 6  
ATOM   1487 C  CB  . ASP B 2 68  ? 16.528  -18.886 -19.327 1.000 26.858  0 398 ASP EEE CB  1 ? 6  
ATOM   1488 C  CG  . ASP B 2 68  ? 17.733  -18.618 -20.184 1.000 30.237  0 398 ASP EEE CG  1 ? 6  
ATOM   1489 O  OD1 . ASP B 2 68  ? 17.528  -18.123 -21.335 1.000 32.677  0 398 ASP EEE OD1 1 ? 6  
ATOM   1490 O  OD2 . ASP B 2 68  ? 18.865  -18.986 -19.733 1.000 31.982  0 398 ASP EEE OD2 1 ? 6  
ATOM   1491 N  N   . SER B 2 69  ? 13.135  -18.974 -19.274 1.000 29.639  0 399 SER EEE N   1 ? 6  
ATOM   1492 C  CA  . SER B 2 69  ? 11.916  -19.232 -18.467 1.000 29.357  0 399 SER EEE CA  1 ? 6  
ATOM   1493 C  C   . SER B 2 69  ? 11.372  -20.622 -18.756 1.000 30.462  0 399 SER EEE C   1 ? 6  
ATOM   1494 O  O   . SER B 2 69  ? 11.540  -21.139 -19.877 1.000 28.960  0 399 SER EEE O   1 ? 6  
ATOM   1495 C  CB  . SER B 2 69  ? 10.874  -18.164 -18.613 1.000 30.116  0 399 SER EEE CB  1 ? 6  
ATOM   1496 O  OG  . SER B 2 69  ? 10.413  -18.076 -19.929 1.000 29.814  0 399 SER EEE OG  1 ? 6  
ATOM   1497 N  N   . PHE B 2 70  ? 10.793  -21.208 -17.718 1.000 29.373  0 400 PHE EEE N   1 ? 6  
ATOM   1498 C  CA  . PHE B 2 70  ? 10.254  -22.583 -17.717 1.000 27.135  0 400 PHE EEE CA  1 ? 6  
ATOM   1499 C  C   . PHE B 2 70  ? 9.480   -22.835 -16.432 1.000 27.301  0 400 PHE EEE C   1 ? 6  
ATOM   1500 O  O   . PHE B 2 70  ? 9.518   -21.977 -15.530 1.000 28.755  0 400 PHE EEE O   1 ? 6  
ATOM   1501 C  CB  . PHE B 2 70  ? 11.389  -23.593 -17.847 1.000 26.824  0 400 PHE EEE CB  1 ? 6  
ATOM   1502 C  CG  . PHE B 2 70  ? 12.542  -23.386 -16.913 1.000 27.452  0 400 PHE EEE CG  1 ? 6  
ATOM   1503 C  CD1 . PHE B 2 70  ? 12.498  -23.888 -15.618 1.000 28.279  0 400 PHE EEE CD1 1 ? 6  
ATOM   1504 C  CD2 . PHE B 2 70  ? 13.654  -22.654 -17.295 1.000 27.697  0 400 PHE EEE CD2 1 ? 6  
ATOM   1505 C  CE1 . PHE B 2 70  ? 13.559  -23.695 -14.753 1.000 30.739  0 400 PHE EEE CE1 1 ? 6  
ATOM   1506 C  CE2 . PHE B 2 70  ? 14.719  -22.480 -16.429 1.000 28.999  0 400 PHE EEE CE2 1 ? 6  
ATOM   1507 C  CZ  . PHE B 2 70  ? 14.665  -22.983 -15.150 1.000 29.763  0 400 PHE EEE CZ  1 ? 6  
ATOM   1508 N  N   . VAL B 2 71  ? 8.800   -23.986 -16.382 1.000 29.935  0 401 VAL EEE N   1 ? 6  
ATOM   1509 C  CA  . VAL B 2 71  ? 8.040   -24.478 -15.203 1.000 26.815  0 401 VAL EEE CA  1 ? 6  
ATOM   1510 C  C   . VAL B 2 71  ? 8.709   -25.747 -14.661 1.000 28.977  0 401 VAL EEE C   1 ? 6  
ATOM   1511 O  O   . VAL B 2 71  ? 9.106   -26.606 -15.458 1.000 27.312  0 401 VAL EEE O   1 ? 6  
ATOM   1512 C  CB  . VAL B 2 71  ? 6.578   -24.705 -15.588 1.000 27.656  0 401 VAL EEE CB  1 ? 6  
ATOM   1513 C  CG1 . VAL B 2 71  ? 5.870   -25.649 -14.611 1.000 31.151  0 401 VAL EEE CG1 1 ? 6  
ATOM   1514 C  CG2 . VAL B 2 71  ? 5.875   -23.367 -15.719 1.000 29.067  0 401 VAL EEE CG2 1 ? 6  
ATOM   1515 N  N   . ILE B 2 72  ? 8.880   -25.821 -13.341 1.000 26.789  0 402 ILE EEE N   1 ? 6  
ATOM   1516 C  CA  . ILE B 2 72  ? 9.310   -27.044 -12.621 1.000 28.118  0 402 ILE EEE CA  1 ? 6  
ATOM   1517 C  C   . ILE B 2 72  ? 8.400   -27.234 -11.402 1.000 29.764  0 402 ILE EEE C   1 ? 6  
ATOM   1518 O  O   . ILE B 2 72  ? 7.533   -26.386 -11.160 1.000 31.376  0 402 ILE EEE O   1 ? 6  
ATOM   1519 C  CB  . ILE B 2 72  ? 10.798  -26.936 -12.231 1.000 28.767  0 402 ILE EEE CB  1 ? 6  
ATOM   1520 C  CG1 . ILE B 2 72  ? 11.072  -25.699 -11.377 1.000 30.124  0 402 ILE EEE CG1 1 ? 6  
ATOM   1521 C  CG2 . ILE B 2 72  ? 11.692  -27.018 -13.472 1.000 29.039  0 402 ILE EEE CG2 1 ? 6  
ATOM   1522 C  CD1 . ILE B 2 72  ? 12.478  -25.619 -10.859 1.000 30.885  0 402 ILE EEE CD1 1 ? 6  
ATOM   1523 N  N   . ARG B 2 73  ? 8.555   -28.310 -10.639 1.000 29.289  0 403 ARG EEE N   1 ? 6  
ATOM   1524 C  CA  . ARG B 2 73  ? 7.768   -28.432 -9.385  1.000 29.663  0 403 ARG EEE CA  1 ? 6  
ATOM   1525 C  C   . ARG B 2 73  ? 8.517   -27.716 -8.249  1.000 31.036  0 403 ARG EEE C   1 ? 6  
ATOM   1526 O  O   . ARG B 2 73  ? 9.716   -27.488 -8.374  1.000 29.082  0 403 ARG EEE O   1 ? 6  
ATOM   1527 C  CB  . ARG B 2 73  ? 7.467   -29.895 -9.079  1.000 31.327  0 403 ARG EEE CB  1 ? 6  
ATOM   1528 C  CG  . ARG B 2 73  ? 8.700   -30.745 -8.818  1.000 33.226  0 403 ARG EEE CG  1 ? 6  
ATOM   1529 C  CD  . ARG B 2 73  ? 8.311   -32.073 -8.231  1.000 35.409  0 403 ARG EEE CD  1 ? 6  
ATOM   1530 N  NE  . ARG B 2 73  ? 7.448   -32.873 -9.092  1.000 36.944  0 403 ARG EEE NE  1 ? 6  
ATOM   1531 C  CZ  . ARG B 2 73  ? 7.828   -33.950 -9.774  1.000 39.703  0 403 ARG EEE CZ  1 ? 6  
ATOM   1532 N  NH1 . ARG B 2 73  ? 9.084   -34.343 -9.753  1.000 44.455  0 403 ARG EEE NH1 1 ? 6  
ATOM   1533 N  NH2 . ARG B 2 73  ? 6.943   -34.656 -10.456 1.000 40.137  0 403 ARG EEE NH2 1 ? 6  
ATOM   1534 N  N   . GLY B 2 74  ? 7.816   -27.308 -7.196  1.000 30.974  0 404 GLY EEE N   1 ? 6  
ATOM   1535 C  CA  . GLY B 2 74  ? 8.400   -26.506 -6.096  1.000 33.159  0 404 GLY EEE CA  1 ? 6  
ATOM   1536 C  C   . GLY B 2 74  ? 9.679   -27.106 -5.525  1.000 33.096  0 404 GLY EEE C   1 ? 6  
ATOM   1537 O  O   . GLY B 2 74  ? 10.656  -26.347 -5.302  1.000 32.513  0 404 GLY EEE O   1 ? 6  
ATOM   1538 N  N   . ASP B 2 75  ? 9.709   -28.420 -5.292  1.000 34.390  0 405 ASP EEE N   1 ? 6  
ATOM   1539 C  CA  . ASP B 2 75  ? 10.864  -29.067 -4.609  1.000 35.515  0 405 ASP EEE CA  1 ? 6  
ATOM   1540 C  C   . ASP B 2 75  ? 12.089  -29.101 -5.533  1.000 33.830  0 405 ASP EEE C   1 ? 6  
ATOM   1541 O  O   . ASP B 2 75  ? 13.149  -29.506 -5.067  1.000 32.619  0 405 ASP EEE O   1 ? 6  
ATOM   1542 C  CB  . ASP B 2 75  ? 10.485  -30.430 -4.026  1.000 38.104  0 405 ASP EEE CB  1 ? 6  
ATOM   1543 C  CG  . ASP B 2 75  ? 10.326  -31.577 -4.998  1.000 40.492  0 405 ASP EEE CG  1 ? 6  
ATOM   1544 O  OD1 . ASP B 2 75  ? 10.733  -31.448 -6.198  1.000 43.252  0 405 ASP EEE OD1 1 ? 6  
ATOM   1545 O  OD2 . ASP B 2 75  ? 9.789   -32.616 -4.551  1.000 43.691  0 405 ASP EEE OD2 1 ? 6  
ATOM   1546 N  N   . GLU B 2 76  ? 11.965  -28.691 -6.797  1.000 31.383  0 406 GLU EEE N   1 ? 6  
ATOM   1547 C  CA  . GLU B 2 76  ? 13.122  -28.618 -7.721  1.000 31.074  0 406 GLU EEE CA  1 ? 6  
ATOM   1548 C  C   . GLU B 2 76  ? 13.653  -27.185 -7.806  1.000 30.463  0 406 GLU EEE C   1 ? 6  
ATOM   1549 O  O   . GLU B 2 76  ? 14.674  -26.977 -8.469  1.000 30.472  0 406 GLU EEE O   1 ? 6  
ATOM   1550 C  CB  . GLU B 2 76  ? 12.719  -29.129 -9.104  1.000 29.935  0 406 GLU EEE CB  1 ? 6  
ATOM   1551 C  CG  . GLU B 2 76  ? 12.322  -30.592 -9.114  1.000 32.531  0 406 GLU EEE CG  1 ? 6  
ATOM   1552 C  CD  . GLU B 2 76  ? 11.722  -31.070 -10.429 1.000 33.697  0 406 GLU EEE CD  1 ? 6  
ATOM   1553 O  OE1 . GLU B 2 76  ? 11.034  -30.267 -11.107 1.000 32.020  0 406 GLU EEE OE1 1 ? 6  
ATOM   1554 O  OE2 . GLU B 2 76  ? 11.947  -32.252 -10.770 1.000 37.401  0 406 GLU EEE OE2 1 ? 6  
ATOM   1555 N  N   . VAL B 2 77  ? 12.986  -26.203 -7.212  1.000 31.190  0 407 VAL EEE N   1 ? 6  
ATOM   1556 C  CA  . VAL B 2 77  ? 13.453  -24.786 -7.345  1.000 31.452  0 407 VAL EEE CA  1 ? 6  
ATOM   1557 C  C   . VAL B 2 77  ? 14.906  -24.650 -6.864  1.000 32.579  0 407 VAL EEE C   1 ? 6  
ATOM   1558 O  O   . VAL B 2 77  ? 15.672  -23.889 -7.504  1.000 34.082  0 407 VAL EEE O   1 ? 6  
ATOM   1559 C  CB  . VAL B 2 77  ? 12.484  -23.820 -6.649  1.000 33.283  0 407 VAL EEE CB  1 ? 6  
ATOM   1560 C  CG1 . VAL B 2 77  ? 13.102  -22.449 -6.416  1.000 35.973  0 407 VAL EEE CG1 1 ? 6  
ATOM   1561 C  CG2 . VAL B 2 77  ? 11.208  -23.710 -7.473  1.000 33.745  0 407 VAL EEE CG2 1 ? 6  
ATOM   1562 N  N   . ARG B 2 78  ? 15.303  -25.382 -5.823  1.000 33.459  0 408 ARG EEE N   1 ? 6  
ATOM   1563 C  CA  . ARG B 2 78  ? 16.670  -25.322 -5.250  1.000 34.485  0 408 ARG EEE CA  1 ? 6  
ATOM   1564 C  C   . ARG B 2 78  ? 17.703  -25.785 -6.283  1.000 34.420  0 408 ARG EEE C   1 ? 6  
ATOM   1565 O  O   . ARG B 2 78  ? 18.883  -25.434 -6.140  1.000 35.268  0 408 ARG EEE O   1 ? 6  
ATOM   1566 C  CB  . ARG B 2 78  ? 16.742  -26.131 -3.954  1.000 39.853  0 408 ARG EEE CB  1 ? 6  
ATOM   1567 C  CG  . ARG B 2 78  ? 16.525  -27.625 -4.111  1.000 41.268  0 408 ARG EEE CG  1 ? 6  
ATOM   1568 C  CD  . ARG B 2 78  ? 17.813  -28.407 -3.969  1.000 47.660  0 408 ARG EEE CD  1 ? 6  
ATOM   1569 N  NE  . ARG B 2 78  ? 17.588  -29.790 -4.369  1.000 49.212  0 408 ARG EEE NE  1 ? 6  
ATOM   1570 C  CZ  . ARG B 2 78  ? 18.486  -30.589 -4.933  1.000 48.772  0 408 ARG EEE CZ  1 ? 6  
ATOM   1571 N  NH1 . ARG B 2 78  ? 19.719  -30.176 -5.193  1.000 49.053  0 408 ARG EEE NH1 1 ? 6  
ATOM   1572 N  NH2 . ARG B 2 78  ? 18.122  -31.812 -5.250  1.000 49.021  0 408 ARG EEE NH2 1 ? 6  
ATOM   1573 N  N   . GLN B 2 79  ? 17.308  -26.578 -7.268  1.000 32.165  0 409 GLN EEE N   1 ? 6  
ATOM   1574 C  CA  . GLN B 2 79  ? 18.255  -27.079 -8.307  1.000 33.194  0 409 GLN EEE CA  1 ? 6  
ATOM   1575 C  C   . GLN B 2 79  ? 18.626  -25.992 -9.313  1.000 32.262  0 409 GLN EEE C   1 ? 6  
ATOM   1576 O  O   . GLN B 2 79  ? 19.629  -26.209 -10.051 1.000 31.953  0 409 GLN EEE O   1 ? 6  
ATOM   1577 C  CB  . GLN B 2 79  ? 17.653  -28.245 -9.081  1.000 33.318  0 409 GLN EEE CB  1 ? 6  
ATOM   1578 C  CG  . GLN B 2 79  ? 17.491  -29.482 -8.206  1.000 32.146  0 409 GLN EEE CG  1 ? 6  
ATOM   1579 C  CD  . GLN B 2 79  ? 17.066  -30.648 -9.057  1.000 31.556  0 409 GLN EEE CD  1 ? 6  
ATOM   1580 O  OE1 . GLN B 2 79  ? 17.538  -30.825 -10.190 1.000 31.291  0 409 GLN EEE OE1 1 ? 6  
ATOM   1581 N  NE2 . GLN B 2 79  ? 16.153  -31.439 -8.521  1.000 31.806  0 409 GLN EEE NE2 1 ? 6  
ATOM   1582 N  N   . ILE B 2 80  ? 17.895  -24.872 -9.363  1.000 32.532  0 410 ILE EEE N   1 ? 6  
ATOM   1583 C  CA  . ILE B 2 80  ? 18.226  -23.747 -10.294 1.000 31.930  0 410 ILE EEE CA  1 ? 6  
ATOM   1584 C  C   . ILE B 2 80  ? 19.217  -22.825 -9.582  1.000 33.074  0 410 ILE EEE C   1 ? 6  
ATOM   1585 O  O   . ILE B 2 80  ? 18.852  -21.693 -9.185  1.000 33.884  0 410 ILE EEE O   1 ? 6  
ATOM   1586 C  CB  . ILE B 2 80  ? 16.973  -23.017 -10.804 1.000 31.410  0 410 ILE EEE CB  1 ? 6  
ATOM   1587 C  CG1 . ILE B 2 80  ? 15.868  -23.998 -11.218 1.000 31.512  0 410 ILE EEE CG1 1 ? 6  
ATOM   1588 C  CG2 . ILE B 2 80  ? 17.340  -22.055 -11.925 1.000 29.391  0 410 ILE EEE CG2 1 ? 6  
ATOM   1589 C  CD1 . ILE B 2 80  ? 16.317  -25.033 -12.216 1.000 30.356  0 410 ILE EEE CD1 1 ? 6  
ATOM   1590 N  N   . ALA B 2 81  ? 20.451  -23.299 -9.464  1.000 34.452  0 411 ALA EEE N   1 ? 6  
ATOM   1591 C  CA  . ALA B 2 81  ? 21.572  -22.572 -8.838  1.000 38.756  0 411 ALA EEE CA  1 ? 6  
ATOM   1592 C  C   . ALA B 2 81  ? 22.871  -23.233 -9.274  1.000 38.619  0 411 ALA EEE C   1 ? 6  
ATOM   1593 O  O   . ALA B 2 81  ? 22.856  -24.393 -9.654  1.000 40.490  0 411 ALA EEE O   1 ? 6  
ATOM   1594 C  CB  . ALA B 2 81  ? 21.415  -22.596 -7.330  1.000 40.518  0 411 ALA EEE CB  1 ? 6  
ATOM   1595 N  N   . PRO B 2 82  ? 24.029  -22.542 -9.218  1.000 39.363  0 412 PRO EEE N   1 ? 6  
ATOM   1596 C  CA  . PRO B 2 82  ? 25.295  -23.167 -9.574  1.000 40.215  0 412 PRO EEE CA  1 ? 6  
ATOM   1597 C  C   . PRO B 2 82  ? 25.620  -24.352 -8.656  1.000 43.044  0 412 PRO EEE C   1 ? 6  
ATOM   1598 O  O   . PRO B 2 82  ? 25.291  -24.292 -7.499  1.000 44.718  0 412 PRO EEE O   1 ? 6  
ATOM   1599 C  CB  . PRO B 2 82  ? 26.364  -22.075 -9.413  1.000 42.243  0 412 PRO EEE CB  1 ? 6  
ATOM   1600 C  CG  . PRO B 2 82  ? 25.619  -20.798 -9.095  1.000 40.784  0 412 PRO EEE CG  1 ? 6  
ATOM   1601 C  CD  . PRO B 2 82  ? 24.165  -21.133 -8.859  1.000 39.394  0 412 PRO EEE CD  1 ? 6  
ATOM   1602 N  N   . GLY B 2 83  ? 26.241  -25.400 -9.204  1.000 44.624  0 413 GLY EEE N   1 ? 6  
ATOM   1603 C  CA  . GLY B 2 83  ? 26.800  -26.525 -8.430  1.000 45.819  0 413 GLY EEE CA  1 ? 6  
ATOM   1604 C  C   . GLY B 2 83  ? 25.740  -27.473 -7.888  1.000 45.520  0 413 GLY EEE C   1 ? 6  
ATOM   1605 O  O   . GLY B 2 83  ? 26.086  -28.297 -7.040  1.000 50.579  0 413 GLY EEE O   1 ? 6  
ATOM   1606 N  N   . GLN B 2 84  ? 24.491  -27.390 -8.330  1.000 41.187  0 414 GLN EEE N   1 ? 6  
ATOM   1607 C  CA  . GLN B 2 84  ? 23.409  -28.271 -7.808  1.000 41.400  0 414 GLN EEE CA  1 ? 6  
ATOM   1608 C  C   . GLN B 2 84  ? 23.346  -29.572 -8.602  1.000 41.701  0 414 GLN EEE C   1 ? 6  
ATOM   1609 O  O   . GLN B 2 84  ? 23.697  -29.543 -9.784  1.000 38.321  0 414 GLN EEE O   1 ? 6  
ATOM   1610 C  CB  . GLN B 2 84  ? 22.057  -27.584 -7.905  1.000 41.715  0 414 GLN EEE CB  1 ? 6  
ATOM   1611 C  CG  . GLN B 2 84  ? 21.938  -26.436 -6.939  1.000 45.933  0 414 GLN EEE CG  1 ? 6  
ATOM   1612 C  CD  . GLN B 2 84  ? 21.948  -26.968 -5.526  1.000 47.302  0 414 GLN EEE CD  1 ? 6  
ATOM   1613 O  OE1 . GLN B 2 84  ? 21.244  -27.911 -5.180  1.000 57.327  0 414 GLN EEE OE1 1 ? 6  
ATOM   1614 N  NE2 . GLN B 2 84  ? 22.803  -26.404 -4.718  1.000 49.691  0 414 GLN EEE NE2 1 ? 6  
ATOM   1615 N  N   . THR B 2 85  ? 22.888  -30.656 -7.971  1.000 42.909  0 415 THR EEE N   1 ? 6  
ATOM   1616 C  CA  . THR B 2 85  ? 22.570  -31.941 -8.653  1.000 43.642  0 415 THR EEE CA  1 ? 6  
ATOM   1617 C  C   . THR B 2 85  ? 21.076  -32.247 -8.495  1.000 42.050  0 415 THR EEE C   1 ? 6  
ATOM   1618 O  O   . THR B 2 85  ? 20.390  -31.611 -7.643  1.000 41.199  0 415 THR EEE O   1 ? 6  
ATOM   1619 C  CB  . THR B 2 85  ? 23.413  -33.101 -8.108  1.000 47.925  0 415 THR EEE CB  1 ? 6  
ATOM   1620 O  OG1 . THR B 2 85  ? 23.019  -33.278 -6.751  1.000 48.513  0 415 THR EEE OG1 1 ? 6  
ATOM   1621 C  CG2 . THR B 2 85  ? 24.902  -32.852 -8.173  1.000 49.215  0 415 THR EEE CG2 1 ? 6  
ATOM   1622 N  N   . GLY B 2 86  ? 20.618  -33.254 -9.234  1.000 36.695  0 416 GLY EEE N   1 ? 6  
ATOM   1623 C  CA  . GLY B 2 86  ? 19.207  -33.627 -9.364  1.000 35.655  0 416 GLY EEE CA  1 ? 6  
ATOM   1624 C  C   . GLY B 2 86  ? 18.822  -33.599 -10.833 1.000 35.243  0 416 GLY EEE C   1 ? 6  
ATOM   1625 O  O   . GLY B 2 86  ? 19.613  -33.128 -11.676 1.000 34.251  0 416 GLY EEE O   1 ? 6  
ATOM   1626 N  N   . LYS B 2 87  ? 17.643  -34.089 -11.149 1.000 34.444  0 417 LYS EEE N   1 ? 6  
ATOM   1627 C  CA  . LYS B 2 87  ? 17.267  -34.346 -12.553 1.000 35.374  0 417 LYS EEE CA  1 ? 6  
ATOM   1628 C  C   . LYS B 2 87  ? 17.157  -33.042 -13.345 1.000 31.990  0 417 LYS EEE C   1 ? 6  
ATOM   1629 O  O   . LYS B 2 87  ? 17.446  -33.108 -14.546 1.000 32.030  0 417 LYS EEE O   1 ? 6  
ATOM   1630 C  CB  . LYS B 2 87  ? 16.015  -35.224 -12.542 1.000 41.763  0 417 LYS EEE CB  1 ? 6  
ATOM   1631 C  CG  . LYS B 2 87  ? 16.422  -36.648 -12.197 1.000 45.258  0 417 LYS EEE CG  1 ? 6  
ATOM   1632 C  CD  . LYS B 2 87  ? 15.355  -37.636 -12.241 1.000 49.746  0 417 LYS EEE CD  1 ? 6  
ATOM   1633 C  CE  . LYS B 2 87  ? 15.934  -39.028 -12.206 1.000 49.335  0 417 LYS EEE CE  1 ? 6  
ATOM   1634 N  NZ  . LYS B 2 87  ? 16.857  -39.180 -11.068 1.000 56.783  0 417 LYS EEE NZ  1 ? 6  
ATOM   1635 N  N   . ILE B 2 88  ? 16.742  -31.922 -12.740 1.000 31.202  0 418 ILE EEE N   1 ? 6  
ATOM   1636 C  CA  . ILE B 2 88  ? 16.627  -30.624 -13.464 1.000 30.961  0 418 ILE EEE CA  1 ? 6  
ATOM   1637 C  C   . ILE B 2 88  ? 18.034  -30.125 -13.791 1.000 31.535  0 418 ILE EEE C   1 ? 6  
ATOM   1638 O  O   . ILE B 2 88  ? 18.318  -29.892 -14.999 1.000 27.687  0 418 ILE EEE O   1 ? 6  
ATOM   1639 C  CB  . ILE B 2 88  ? 15.780  -29.582 -12.696 1.000 29.962  0 418 ILE EEE CB  1 ? 6  
ATOM   1640 C  CG1 . ILE B 2 88  ? 14.383  -30.122 -12.393 1.000 31.247  0 418 ILE EEE CG1 1 ? 6  
ATOM   1641 C  CG2 . ILE B 2 88  ? 15.686  -28.284 -13.468 1.000 27.450  0 418 ILE EEE CG2 1 ? 6  
ATOM   1642 C  CD1 . ILE B 2 88  ? 13.682  -30.754 -13.597 1.000 32.911  0 418 ILE EEE CD1 1 ? 6  
ATOM   1643 N  N   . ALA B 2 89  ? 18.898  -29.999 -12.789 1.000 30.472  0 419 ALA EEE N   1 ? 6  
ATOM   1644 C  CA  . ALA B 2 89  ? 20.277  -29.470 -12.961 1.000 33.590  0 419 ALA EEE CA  1 ? 6  
ATOM   1645 C  C   . ALA B 2 89  ? 21.090  -30.395 -13.881 1.000 33.171  0 419 ALA EEE C   1 ? 6  
ATOM   1646 O  O   . ALA B 2 89  ? 21.886  -29.888 -14.677 1.000 39.186  0 419 ALA EEE O   1 ? 6  
ATOM   1647 C  CB  . ALA B 2 89  ? 20.972  -29.274 -11.621 1.000 35.601  0 419 ALA EEE CB  1 ? 6  
ATOM   1648 N  N   . ASP B 2 90  ? 20.920  -31.702 -13.770 1.000 33.041  0 420 ASP EEE N   1 ? 6  
ATOM   1649 C  CA  . ASP B 2 90  ? 21.735  -32.688 -14.522 1.000 33.600  0 420 ASP EEE CA  1 ? 6  
ATOM   1650 C  C   . ASP B 2 90  ? 21.226  -32.772 -15.967 1.000 32.251  0 420 ASP EEE C   1 ? 6  
ATOM   1651 O  O   . ASP B 2 90  ? 22.051  -32.865 -16.871 1.000 32.813  0 420 ASP EEE O   1 ? 6  
ATOM   1652 C  CB  . ASP B 2 90  ? 21.691  -34.071 -13.869 1.000 36.635  0 420 ASP EEE CB  1 ? 6  
ATOM   1653 C  CG  . ASP B 2 90  ? 22.313  -34.156 -12.465 1.000 43.123  0 420 ASP EEE CG  1 ? 6  
ATOM   1654 O  OD1 . ASP B 2 90  ? 23.054  -33.237 -12.073 1.000 41.339  0 420 ASP EEE OD1 1 ? 6  
ATOM   1655 O  OD2 . ASP B 2 90  ? 22.050  -35.163 -11.784 1.000 42.621  0 420 ASP EEE OD2 1 ? 6  
ATOM   1656 N  N   . TYR B 2 91  ? 19.916  -32.808 -16.172 1.000 30.715  0 421 TYR EEE N   1 ? 6  
ATOM   1657 C  CA  . TYR B 2 91  ? 19.333  -33.281 -17.444 1.000 30.238  0 421 TYR EEE CA  1 ? 6  
ATOM   1658 C  C   . TYR B 2 91  ? 18.472  -32.223 -18.142 1.000 30.584  0 421 TYR EEE C   1 ? 6  
ATOM   1659 O  O   . TYR B 2 91  ? 18.086  -32.519 -19.277 1.000 29.445  0 421 TYR EEE O   1 ? 6  
ATOM   1660 C  CB  . TYR B 2 91  ? 18.508  -34.547 -17.248 1.000 28.920  0 421 TYR EEE CB  1 ? 6  
ATOM   1661 C  CG  . TYR B 2 91  ? 19.228  -35.711 -16.621 1.000 30.979  0 421 TYR EEE CG  1 ? 6  
ATOM   1662 C  CD1 . TYR B 2 91  ? 20.586  -35.914 -16.782 1.000 31.582  0 421 TYR EEE CD1 1 ? 6  
ATOM   1663 C  CD2 . TYR B 2 91  ? 18.527  -36.628 -15.861 1.000 32.958  0 421 TYR EEE CD2 1 ? 6  
ATOM   1664 C  CE1 . TYR B 2 91  ? 21.238  -36.976 -16.178 1.000 33.074  0 421 TYR EEE CE1 1 ? 6  
ATOM   1665 C  CE2 . TYR B 2 91  ? 19.155  -37.694 -15.242 1.000 36.172  0 421 TYR EEE CE2 1 ? 6  
ATOM   1666 C  CZ  . TYR B 2 91  ? 20.519  -37.851 -15.388 1.000 36.570  0 421 TYR EEE CZ  1 ? 6  
ATOM   1667 O  OH  . TYR B 2 91  ? 21.125  -38.917 -14.831 1.000 38.267  0 421 TYR EEE OH  1 ? 6  
ATOM   1668 N  N   . ASN B 2 92  ? 18.165  -31.068 -17.550 1.000 29.110  0 422 ASN EEE N   1 ? 6  
ATOM   1669 C  CA  . ASN B 2 92  ? 17.140  -30.159 -18.135 1.000 29.356  0 422 ASN EEE CA  1 ? 6  
ATOM   1670 C  C   . ASN B 2 92  ? 17.661  -28.729 -18.333 1.000 31.500  0 422 ASN EEE C   1 ? 6  
ATOM   1671 O  O   . ASN B 2 92  ? 17.501  -28.167 -19.465 1.000 28.472  0 422 ASN EEE O   1 ? 6  
ATOM   1672 C  CB  . ASN B 2 92  ? 15.868  -30.147 -17.287 1.000 29.372  0 422 ASN EEE CB  1 ? 6  
ATOM   1673 C  CG  . ASN B 2 92  ? 15.093  -31.440 -17.403 1.000 27.831  0 422 ASN EEE CG  1 ? 6  
ATOM   1674 O  OD1 . ASN B 2 92  ? 14.163  -31.532 -18.201 1.000 26.862  0 422 ASN EEE OD1 1 ? 6  
ATOM   1675 N  ND2 . ASN B 2 92  ? 15.509  -32.452 -16.648 1.000 28.464  0 422 ASN EEE ND2 1 ? 6  
ATOM   1676 N  N   . TYR B 2 93  ? 18.217  -28.136 -17.278 1.000 27.788  0 423 TYR EEE N   1 ? 6  
ATOM   1677 C  CA  . TYR B 2 93  ? 18.622  -26.709 -17.251 1.000 27.915  0 423 TYR EEE CA  1 ? 6  
ATOM   1678 C  C   . TYR B 2 93  ? 19.752  -26.553 -16.263 1.000 31.316  0 423 TYR EEE C   1 ? 6  
ATOM   1679 O  O   . TYR B 2 93  ? 19.510  -26.781 -15.036 1.000 29.698  0 423 TYR EEE O   1 ? 6  
ATOM   1680 C  CB  . TYR B 2 93  ? 17.465  -25.773 -16.892 1.000 27.090  0 423 TYR EEE CB  1 ? 6  
ATOM   1681 C  CG  . TYR B 2 93  ? 17.847  -24.322 -17.054 1.000 27.989  0 423 TYR EEE CG  1 ? 6  
ATOM   1682 C  CD1 . TYR B 2 93  ? 17.795  -23.687 -18.292 1.000 27.861  0 423 TYR EEE CD1 1 ? 6  
ATOM   1683 C  CD2 . TYR B 2 93  ? 18.374  -23.615 -15.982 1.000 28.716  0 423 TYR EEE CD2 1 ? 6  
ATOM   1684 C  CE1 . TYR B 2 93  ? 18.226  -22.373 -18.455 1.000 30.436  0 423 TYR EEE CE1 1 ? 6  
ATOM   1685 C  CE2 . TYR B 2 93  ? 18.781  -22.300 -16.122 1.000 29.292  0 423 TYR EEE CE2 1 ? 6  
ATOM   1686 C  CZ  . TYR B 2 93  ? 18.732  -21.679 -17.359 1.000 30.669  0 423 TYR EEE CZ  1 ? 6  
ATOM   1687 O  OH  . TYR B 2 93  ? 19.110  -20.359 -17.417 1.000 30.067  0 423 TYR EEE OH  1 ? 6  
ATOM   1688 N  N   . LYS B 2 94  ? 20.927  -26.189 -16.770 1.000 31.062  0 424 LYS EEE N   1 ? 6  
ATOM   1689 C  CA  . LYS B 2 94  ? 22.184  -26.202 -15.976 1.000 32.341  0 424 LYS EEE CA  1 ? 6  
ATOM   1690 C  C   . LYS B 2 94  ? 22.828  -24.819 -15.996 1.000 33.431  0 424 LYS EEE C   1 ? 6  
ATOM   1691 O  O   . LYS B 2 94  ? 23.047  -24.263 -17.080 1.000 33.139  0 424 LYS EEE O   1 ? 6  
ATOM   1692 C  CB  . LYS B 2 94  ? 23.102  -27.272 -16.554 1.000 34.621  0 424 LYS EEE CB  1 ? 6  
ATOM   1693 C  CG  . LYS B 2 94  ? 24.519  -27.278 -16.031 1.000 38.957  0 424 LYS EEE CG  1 ? 6  
ATOM   1694 C  CD  . LYS B 2 94  ? 24.664  -27.695 -14.618 1.000 40.894  0 424 LYS EEE CD  1 ? 6  
ATOM   1695 C  CE  . LYS B 2 94  ? 26.138  -27.856 -14.296 1.000 44.986  0 424 LYS EEE CE  1 ? 6  
ATOM   1696 N  NZ  . LYS B 2 94  ? 26.367  -28.260 -12.896 1.000 46.467  0 424 LYS EEE NZ  1 ? 6  
ATOM   1697 N  N   . LEU B 2 95  ? 23.149  -24.295 -14.823 1.000 32.229  0 425 LEU EEE N   1 ? 6  
ATOM   1698 C  CA  . LEU B 2 95  ? 23.912  -23.039 -14.707 1.000 33.995  0 425 LEU EEE CA  1 ? 6  
ATOM   1699 C  C   . LEU B 2 95  ? 25.389  -23.383 -14.590 1.000 35.714  0 425 LEU EEE C   1 ? 6  
ATOM   1700 O  O   . LEU B 2 95  ? 25.749  -24.398 -13.986 1.000 39.214  0 425 LEU EEE O   1 ? 6  
ATOM   1701 C  CB  . LEU B 2 95  ? 23.393  -22.283 -13.486 1.000 36.261  0 425 LEU EEE CB  1 ? 6  
ATOM   1702 C  CG  . LEU B 2 95  ? 21.992  -21.708 -13.642 1.000 36.598  0 425 LEU EEE CG  1 ? 6  
ATOM   1703 C  CD1 . LEU B 2 95  ? 21.565  -20.998 -12.359 1.000 38.694  0 425 LEU EEE CD1 1 ? 6  
ATOM   1704 C  CD2 . LEU B 2 95  ? 21.924  -20.772 -14.837 1.000 35.904  0 425 LEU EEE CD2 1 ? 6  
ATOM   1705 N  N   . PRO B 2 96  ? 26.290  -22.513 -15.093 1.000 36.260  0 426 PRO EEE N   1 ? 6  
ATOM   1706 C  CA  . PRO B 2 96  ? 27.724  -22.716 -14.890 1.000 41.887  0 426 PRO EEE CA  1 ? 6  
ATOM   1707 C  C   . PRO B 2 96  ? 28.100  -22.480 -13.413 1.000 41.319  0 426 PRO EEE C   1 ? 6  
ATOM   1708 O  O   . PRO B 2 96  ? 27.410  -21.771 -12.731 1.000 40.240  0 426 PRO EEE O   1 ? 6  
ATOM   1709 C  CB  . PRO B 2 96  ? 28.376  -21.713 -15.845 1.000 42.525  0 426 PRO EEE CB  1 ? 6  
ATOM   1710 C  CG  . PRO B 2 96  ? 27.330  -20.620 -16.002 1.000 40.087  0 426 PRO EEE CG  1 ? 6  
ATOM   1711 C  CD  . PRO B 2 96  ? 25.980  -21.289 -15.832 1.000 37.134  0 426 PRO EEE CD  1 ? 6  
ATOM   1712 N  N   . ASP B 2 97  ? 29.168  -23.123 -12.952 1.000 42.531  0 427 ASP EEE N   1 ? 6  
ATOM   1713 C  CA  . ASP B 2 97  ? 29.739  -22.927 -11.599 1.000 47.506  0 427 ASP EEE CA  1 ? 6  
ATOM   1714 C  C   . ASP B 2 97  ? 29.980  -21.433 -11.385 1.000 48.068  0 427 ASP EEE C   1 ? 6  
ATOM   1715 O  O   . ASP B 2 97  ? 29.745  -20.966 -10.276 1.000 46.906  0 427 ASP EEE O   1 ? 6  
ATOM   1716 C  CB  . ASP B 2 97  ? 31.005  -23.766 -11.411 1.000 51.743  0 427 ASP EEE CB  1 ? 6  
ATOM   1717 C  CG  . ASP B 2 97  ? 30.757  -25.270 -11.429 1.000 55.743  0 427 ASP EEE CG  1 ? 6  
ATOM   1718 O  OD1 . ASP B 2 97  ? 29.574  -25.701 -11.555 1.000 59.311  0 427 ASP EEE OD1 1 ? 6  
ATOM   1719 O  OD2 . ASP B 2 97  ? 31.746  -26.002 -11.353 1.000 62.018  0 427 ASP EEE OD2 1 ? 6  
ATOM   1720 N  N   . ASP B 2 98  ? 30.404  -20.707 -12.419 1.000 48.324  0 428 ASP EEE N   1 ? 6  
ATOM   1721 C  CA  . ASP B 2 98  ? 30.825  -19.281 -12.298 1.000 51.800  0 428 ASP EEE CA  1 ? 6  
ATOM   1722 C  C   . ASP B 2 98  ? 29.672  -18.356 -12.724 1.000 47.940  0 428 ASP EEE C   1 ? 6  
ATOM   1723 O  O   . ASP B 2 98  ? 29.950  -17.227 -13.140 1.000 48.478  0 428 ASP EEE O   1 ? 6  
ATOM   1724 C  CB  . ASP B 2 98  ? 32.115  -19.023 -13.085 1.000 53.985  0 428 ASP EEE CB  1 ? 6  
ATOM   1725 C  CG  . ASP B 2 98  ? 31.979  -19.060 -14.606 1.000 59.492  0 428 ASP EEE CG  1 ? 6  
ATOM   1726 O  OD1 . ASP B 2 98  ? 31.050  -19.726 -15.107 1.000 58.947  0 428 ASP EEE OD1 1 ? 6  
ATOM   1727 O  OD2 . ASP B 2 98  ? 32.813  -18.411 -15.286 1.000 64.554  0 428 ASP EEE OD2 1 ? 6  
ATOM   1728 N  N   . PHE B 2 99  ? 28.425  -18.823 -12.618 1.000 45.029  0 429 PHE EEE N   1 ? 6  
ATOM   1729 C  CA  . PHE B 2 99  ? 27.212  -18.077 -13.025 1.000 43.180  0 429 PHE EEE CA  1 ? 6  
ATOM   1730 C  C   . PHE B 2 99  ? 27.228  -16.669 -12.416 1.000 43.334  0 429 PHE EEE C   1 ? 6  
ATOM   1731 O  O   . PHE B 2 99  ? 27.446  -16.527 -11.212 1.000 41.496  0 429 PHE EEE O   1 ? 6  
ATOM   1732 C  CB  . PHE B 2 99  ? 25.940  -18.796 -12.577 1.000 42.154  0 429 PHE EEE CB  1 ? 6  
ATOM   1733 C  CG  . PHE B 2 99  ? 24.654  -18.096 -12.963 1.000 39.021  0 429 PHE EEE CG  1 ? 6  
ATOM   1734 C  CD1 . PHE B 2 99  ? 24.404  -17.745 -14.277 1.000 37.570  0 429 PHE EEE CD1 1 ? 6  
ATOM   1735 C  CD2 . PHE B 2 99  ? 23.700  -17.785 -12.007 1.000 37.901  0 429 PHE EEE CD2 1 ? 6  
ATOM   1736 C  CE1 . PHE B 2 99  ? 23.222  -17.106 -14.620 1.000 36.673  0 429 PHE EEE CE1 1 ? 6  
ATOM   1737 C  CE2 . PHE B 2 99  ? 22.525  -17.134 -12.350 1.000 38.706  0 429 PHE EEE CE2 1 ? 6  
ATOM   1738 C  CZ  . PHE B 2 99  ? 22.285  -16.804 -13.661 1.000 36.772  0 429 PHE EEE CZ  1 ? 6  
ATOM   1739 N  N   . THR B 2 100 ? 27.008  -15.672 -13.268 1.000 40.620  0 430 THR EEE N   1 ? 6  
ATOM   1740 C  CA  . THR B 2 100 ? 26.678  -14.267 -12.936 1.000 40.131  0 430 THR EEE CA  1 ? 6  
ATOM   1741 C  C   . THR B 2 100 ? 25.263  -13.979 -13.431 1.000 39.719  0 430 THR EEE C   1 ? 6  
ATOM   1742 O  O   . THR B 2 100 ? 25.036  -14.027 -14.652 1.000 40.636  0 430 THR EEE O   1 ? 6  
ATOM   1743 C  CB  . THR B 2 100 ? 27.675  -13.299 -13.583 1.000 43.708  0 430 THR EEE CB  1 ? 6  
ATOM   1744 O  OG1 . THR B 2 100 ? 28.963  -13.712 -13.133 1.000 45.214  0 430 THR EEE OG1 1 ? 6  
ATOM   1745 C  CG2 . THR B 2 100 ? 27.424  -11.854 -13.208 1.000 43.435  0 430 THR EEE CG2 1 ? 6  
ATOM   1746 N  N   . GLY B 2 101 ? 24.331  -13.752 -12.520 1.000 36.847  0 431 GLY EEE N   1 ? 6  
ATOM   1747 C  CA  . GLY B 2 101 ? 22.934  -13.480 -12.874 1.000 36.219  0 431 GLY EEE CA  1 ? 6  
ATOM   1748 C  C   . GLY B 2 101 ? 21.972  -13.785 -11.751 1.000 34.245  0 431 GLY EEE C   1 ? 6  
ATOM   1749 O  O   . GLY B 2 101 ? 22.406  -13.916 -10.578 1.000 35.755  0 431 GLY EEE O   1 ? 6  
ATOM   1750 N  N   . CYS B 2 102 ? 20.688  -13.888 -12.078 1.000 36.498  0 432 CYS EEE N   1 ? 6  
ATOM   1751 C  CA  . CYS B 2 102 ? 19.618  -13.929 -11.052 1.000 36.526  0 432 CYS EEE CA  1 ? 6  
ATOM   1752 C  C   . CYS B 2 102 ? 18.653  -15.056 -11.370 1.000 34.488  0 432 CYS EEE C   1 ? 6  
ATOM   1753 O  O   . CYS B 2 102 ? 18.336  -15.262 -12.547 1.000 34.330  0 432 CYS EEE O   1 ? 6  
ATOM   1754 C  CB  . CYS B 2 102 ? 18.911  -12.586 -10.958 1.000 38.881  0 432 CYS EEE CB  1 ? 6  
ATOM   1755 S  SG  . CYS B 2 102 ? 20.070  -11.262 -10.536 1.000 41.992  0 432 CYS EEE SG  1 ? 6  
ATOM   1756 N  N   . VAL B 2 103 ? 18.224  -15.744 -10.325 1.000 32.092  0 433 VAL EEE N   1 ? 6  
ATOM   1757 C  CA  . VAL B 2 103 ? 17.193  -16.807 -10.384 1.000 31.313  0 433 VAL EEE CA  1 ? 6  
ATOM   1758 C  C   . VAL B 2 103 ? 15.979  -16.291 -9.619  1.000 31.153  0 433 VAL EEE C   1 ? 6  
ATOM   1759 O  O   . VAL B 2 103 ? 16.093  -15.955 -8.405  1.000 29.714  0 433 VAL EEE O   1 ? 6  
ATOM   1760 C  CB  . VAL B 2 103 ? 17.704  -18.141 -9.816  1.000 33.665  0 433 VAL EEE CB  1 ? 6  
ATOM   1761 C  CG1 . VAL B 2 103 ? 16.592  -19.182 -9.804  1.000 36.617  0 433 VAL EEE CG1 1 ? 6  
ATOM   1762 C  CG2 . VAL B 2 103 ? 18.921  -18.633 -10.590 1.000 33.656  0 433 VAL EEE CG2 1 ? 6  
ATOM   1763 N  N   . ILE B 2 104 ? 14.864  -16.244 -10.330 1.000 29.588  0 434 ILE EEE N   1 ? 6  
ATOM   1764 C  CA  . ILE B 2 104 ? 13.579  -15.699 -9.845  1.000 31.810  0 434 ILE EEE CA  1 ? 6  
ATOM   1765 C  C   . ILE B 2 104 ? 12.545  -16.808 -9.993  1.000 32.571  0 434 ILE EEE C   1 ? 6  
ATOM   1766 O  O   . ILE B 2 104 ? 12.499  -17.429 -11.076 1.000 32.595  0 434 ILE EEE O   1 ? 6  
ATOM   1767 C  CB  . ILE B 2 104 ? 13.215  -14.473 -10.689 1.000 32.039  0 434 ILE EEE CB  1 ? 6  
ATOM   1768 C  CG1 . ILE B 2 104 ? 14.371  -13.469 -10.759 1.000 34.920  0 434 ILE EEE CG1 1 ? 6  
ATOM   1769 C  CG2 . ILE B 2 104 ? 11.941  -13.847 -10.171 1.000 32.891  0 434 ILE EEE CG2 1 ? 6  
ATOM   1770 C  CD1 . ILE B 2 104 ? 14.140  -12.359 -11.781 1.000 36.867  0 434 ILE EEE CD1 1 ? 6  
ATOM   1771 N  N   . ALA B 2 105 ? 11.726  -17.045 -8.977  1.000 30.207  0 435 ALA EEE N   1 ? 6  
ATOM   1772 C  CA  . ALA B 2 105 ? 10.677  -18.079 -9.094  1.000 29.850  0 435 ALA EEE CA  1 ? 6  
ATOM   1773 C  C   . ALA B 2 105 ? 9.467   -17.689 -8.264  1.000 31.386  0 435 ALA EEE C   1 ? 6  
ATOM   1774 O  O   . ALA B 2 105 ? 9.625   -16.881 -7.318  1.000 32.928  0 435 ALA EEE O   1 ? 6  
ATOM   1775 C  CB  . ALA B 2 105 ? 11.221  -19.432 -8.715  1.000 30.491  0 435 ALA EEE CB  1 ? 6  
ATOM   1776 N  N   . TRP B 2 106 ? 8.299   -18.166 -8.695  1.000 29.212  0 436 TRP EEE N   1 ? 6  
ATOM   1777 C  CA  . TRP B 2 106 ? 7.038   -17.956 -7.979  1.000 32.327  0 436 TRP EEE CA  1 ? 6  
ATOM   1778 C  C   . TRP B 2 106 ? 6.114   -19.149 -8.202  1.000 33.239  0 436 TRP EEE C   1 ? 6  
ATOM   1779 O  O   . TRP B 2 106 ? 6.163   -19.784 -9.281  1.000 30.242  0 436 TRP EEE O   1 ? 6  
ATOM   1780 C  CB  . TRP B 2 106 ? 6.398   -16.624 -8.367  1.000 33.861  0 436 TRP EEE CB  1 ? 6  
ATOM   1781 C  CG  . TRP B 2 106 ? 5.957   -16.500 -9.788  1.000 33.934  0 436 TRP EEE CG  1 ? 6  
ATOM   1782 C  CD1 . TRP B 2 106 ? 4.682   -16.632 -10.265 1.000 36.142  0 436 TRP EEE CD1 1 ? 6  
ATOM   1783 C  CD2 . TRP B 2 106 ? 6.783   -16.190 -10.916 1.000 32.458  0 436 TRP EEE CD2 1 ? 6  
ATOM   1784 N  NE1 . TRP B 2 106 ? 4.662   -16.439 -11.616 1.000 34.755  0 436 TRP EEE NE1 1 ? 6  
ATOM   1785 C  CE2 . TRP B 2 106 ? 5.936   -16.186 -12.046 1.000 34.486  0 436 TRP EEE CE2 1 ? 6  
ATOM   1786 C  CE3 . TRP B 2 106 ? 8.151   -15.944 -11.085 1.000 33.646  0 436 TRP EEE CE3 1 ? 6  
ATOM   1787 C  CZ2 . TRP B 2 106 ? 6.412   -15.885 -13.320 1.000 33.592  0 436 TRP EEE CZ2 1 ? 6  
ATOM   1788 C  CZ3 . TRP B 2 106 ? 8.628   -15.696 -12.352 1.000 34.737  0 436 TRP EEE CZ3 1 ? 6  
ATOM   1789 C  CH2 . TRP B 2 106 ? 7.764   -15.654 -13.447 1.000 33.773  0 436 TRP EEE CH2 1 ? 6  
ATOM   1790 N  N   . ASN B 2 107 ? 5.281   -19.397 -7.200  1.000 32.696  0 437 ASN EEE N   1 ? 6  
ATOM   1791 C  CA  . ASN B 2 107 ? 4.259   -20.461 -7.234  1.000 34.371  0 437 ASN EEE CA  1 ? 6  
ATOM   1792 C  C   . ASN B 2 107 ? 3.254   -20.123 -8.350  1.000 35.524  0 437 ASN EEE C   1 ? 6  
ATOM   1793 O  O   . ASN B 2 107 ? 2.701   -19.037 -8.308  1.000 33.854  0 437 ASN EEE O   1 ? 6  
ATOM   1794 C  CB  . ASN B 2 107 ? 3.606   -20.604 -5.861  1.000 36.731  0 437 ASN EEE CB  1 ? 6  
ATOM   1795 C  CG  . ASN B 2 107 ? 2.631   -21.756 -5.815  1.000 36.817  0 437 ASN EEE CG  1 ? 6  
ATOM   1796 O  OD1 . ASN B 2 107 ? 1.612   -21.739 -6.498  1.000 35.303  0 437 ASN EEE OD1 1 ? 6  
ATOM   1797 N  ND2 . ASN B 2 107 ? 2.931   -22.746 -4.992  1.000 37.216  0 437 ASN EEE ND2 1 ? 6  
ATOM   1798 N  N   . SER B 2 108 ? 2.977   -21.046 -9.275  1.000 32.715  0 438 SER EEE N   1 ? 6  
ATOM   1799 C  CA  . SER B 2 108 ? 2.017   -20.805 -10.392 1.000 35.119  0 438 SER EEE CA  1 ? 6  
ATOM   1800 C  C   . SER B 2 108 ? 0.873   -21.829 -10.360 1.000 36.212  0 438 SER EEE C   1 ? 6  
ATOM   1801 O  O   . SER B 2 108 ? 0.292   -22.124 -11.438 1.000 34.553  0 438 SER EEE O   1 ? 6  
ATOM   1802 C  CB  . SER B 2 108 ? 2.737   -20.827 -11.710 1.000 33.449  0 438 SER EEE CB  1 ? 6  
ATOM   1803 O  OG  . SER B 2 108 ? 3.348   -22.081 -11.904 1.000 33.043  0 438 SER EEE OG  1 ? 6  
ATOM   1804 N  N   . ASN B 2 109 ? 0.540   -22.334 -9.170  1.000 33.575  0 439 ASN EEE N   1 ? 6  
ATOM   1805 C  CA  . ASN B 2 109 ? -0.552  -23.327 -8.969  1.000 36.341  0 439 ASN EEE CA  1 ? 6  
ATOM   1806 C  C   . ASN B 2 109 ? -1.872  -22.840 -9.590  1.000 39.270  0 439 ASN EEE C   1 ? 6  
ATOM   1807 O  O   . ASN B 2 109 ? -2.562  -23.669 -10.226 1.000 41.200  0 439 ASN EEE O   1 ? 6  
ATOM   1808 C  CB  . ASN B 2 109 ? -0.760  -23.661 -7.491  1.000 37.482  0 439 ASN EEE CB  1 ? 6  
ATOM   1809 C  CG  . ASN B 2 109 ? -1.461  -24.989 -7.305  1.000 36.774  0 439 ASN EEE CG  1 ? 6  
ATOM   1810 O  OD1 . ASN B 2 109 ? -1.229  -25.945 -8.037  1.000 37.636  0 439 ASN EEE OD1 1 ? 6  
ATOM   1811 N  ND2 . ASN B 2 109 ? -2.331  -25.058 -6.333  1.000 36.901  0 439 ASN EEE ND2 1 ? 6  
ATOM   1812 N  N   . ASN B 2 110 ? -2.201  -21.550 -9.450  1.000 40.513  0 440 ASN EEE N   1 ? 6  
ATOM   1813 C  CA  . ASN B 2 110 ? -3.447  -20.937 -9.985  1.000 44.263  0 440 ASN EEE CA  1 ? 6  
ATOM   1814 C  C   . ASN B 2 110 ? -3.406  -20.895 -11.524 1.000 40.850  0 440 ASN EEE C   1 ? 6  
ATOM   1815 O  O   . ASN B 2 110 ? -4.456  -20.912 -12.098 1.000 43.397  0 440 ASN EEE O   1 ? 6  
ATOM   1816 C  CB  . ASN B 2 110 ? -3.717  -19.556 -9.372  1.000 48.131  0 440 ASN EEE CB  1 ? 6  
ATOM   1817 C  CG  . ASN B 2 110 ? -2.591  -18.564 -9.618  1.000 60.023  0 440 ASN EEE CG  1 ? 6  
ATOM   1818 O  OD1 . ASN B 2 110 ? -1.431  -18.943 -9.849  1.000 55.254  0 440 ASN EEE OD1 1 ? 6  
ATOM   1819 N  ND2 . ASN B 2 110 ? -2.916  -17.279 -9.570  1.000 68.907  0 440 ASN EEE ND2 1 ? 6  
ATOM   1820 N  N   . LEU B 2 111 ? -2.247  -20.875 -12.177 1.000 38.273  0 441 LEU EEE N   1 ? 6  
ATOM   1821 C  CA  . LEU B 2 111 ? -2.150  -20.796 -13.669 1.000 39.527  0 441 LEU EEE CA  1 ? 6  
ATOM   1822 C  C   . LEU B 2 111 ? -1.910  -22.180 -14.302 1.000 37.959  0 441 LEU EEE C   1 ? 6  
ATOM   1823 O  O   . LEU B 2 111 ? -2.537  -22.479 -15.305 1.000 39.093  0 441 LEU EEE O   1 ? 6  
ATOM   1824 C  CB  . LEU B 2 111 ? -1.019  -19.843 -14.045 1.000 39.081  0 441 LEU EEE CB  1 ? 6  
ATOM   1825 C  CG  . LEU B 2 111 ? -1.135  -18.456 -13.428 1.000 44.405  0 441 LEU EEE CG  1 ? 6  
ATOM   1826 C  CD1 . LEU B 2 111 ? 0.005   -17.554 -13.864 1.000 45.949  0 441 LEU EEE CD1 1 ? 6  
ATOM   1827 C  CD2 . LEU B 2 111 ? -2.485  -17.854 -13.775 1.000 47.704  0 441 LEU EEE CD2 1 ? 6  
ATOM   1828 N  N   . ASP B 2 112 ? -1.066  -23.013 -13.714 1.000 33.674  0 442 ASP EEE N   1 ? 6  
ATOM   1829 C  CA  . ASP B 2 112 ? -0.470  -24.170 -14.414 1.000 33.321  0 442 ASP EEE CA  1 ? 6  
ATOM   1830 C  C   . ASP B 2 112 ? -1.028  -25.504 -13.922 1.000 34.114  0 442 ASP EEE C   1 ? 6  
ATOM   1831 O  O   . ASP B 2 112 ? -0.620  -26.532 -14.496 1.000 33.782  0 442 ASP EEE O   1 ? 6  
ATOM   1832 C  CB  . ASP B 2 112 ? 1.044   -24.111 -14.264 1.000 31.670  0 442 ASP EEE CB  1 ? 6  
ATOM   1833 C  CG  . ASP B 2 112 ? 1.691   -22.976 -15.047 1.000 32.469  0 442 ASP EEE CG  1 ? 6  
ATOM   1834 O  OD1 . ASP B 2 112 ? 1.249   -22.718 -16.182 1.000 33.691  0 442 ASP EEE OD1 1 ? 6  
ATOM   1835 O  OD2 . ASP B 2 112 ? 2.649   -22.377 -14.517 1.000 31.443  0 442 ASP EEE OD2 1 ? 6  
ATOM   1836 N  N   . SER B 2 113 ? -1.879  -25.528 -12.897 1.000 32.852  0 443 SER EEE N   1 ? 6  
ATOM   1837 C  CA  A SER B 2 113 ? -2.522  -26.786 -12.448 0.600 34.903  0 443 SER EEE CA  1 ? 6  
ATOM   1838 C  CA  B SER B 2 113 ? -2.540  -26.760 -12.398 0.400 34.506  0 443 SER EEE CA  1 ? 6  
ATOM   1839 C  C   . SER B 2 113 ? -3.956  -26.814 -12.961 1.000 36.198  0 443 SER EEE C   1 ? 6  
ATOM   1840 O  O   . SER B 2 113 ? -4.520  -25.755 -13.192 1.000 38.277  0 443 SER EEE O   1 ? 6  
ATOM   1841 C  CB  A SER B 2 113 ? -2.464  -26.964 -10.950 0.600 35.753  0 443 SER EEE CB  1 ? 6  
ATOM   1842 C  CB  B SER B 2 113 ? -2.555  -26.812 -10.883 0.400 34.628  0 443 SER EEE CB  1 ? 6  
ATOM   1843 O  OG  A SER B 2 113 ? -3.601  -26.397 -10.342 0.600 36.869  0 443 SER EEE OG  1 ? 6  
ATOM   1844 O  OG  B SER B 2 113 ? -1.237  -26.707 -10.361 0.400 32.601  0 443 SER EEE OG  1 ? 6  
ATOM   1845 N  N   . LYS B 2 114 ? -4.500  -28.003 -13.112 1.000 38.458  0 444 LYS EEE N   1 ? 6  
ATOM   1846 C  CA  . LYS B 2 114 ? -5.867  -28.190 -13.644 1.000 43.666  0 444 LYS EEE CA  1 ? 6  
ATOM   1847 C  C   . LYS B 2 114 ? -6.481  -29.342 -12.874 1.000 40.650  0 444 LYS EEE C   1 ? 6  
ATOM   1848 O  O   . LYS B 2 114 ? -5.725  -30.256 -12.532 1.000 38.715  0 444 LYS EEE O   1 ? 6  
ATOM   1849 C  CB  . LYS B 2 114 ? -5.749  -28.449 -15.151 1.000 49.442  0 444 LYS EEE CB  1 ? 6  
ATOM   1850 C  CG  . LYS B 2 114 ? -7.022  -28.263 -15.958 1.000 65.073  0 444 LYS EEE CG  1 ? 6  
ATOM   1851 C  CD  . LYS B 2 114 ? -6.828  -28.549 -17.449 1.000 73.310  0 444 LYS EEE CD  1 ? 6  
ATOM   1852 C  CE  . LYS B 2 114 ? -8.119  -28.962 -18.133 1.000 83.452  0 444 LYS EEE CE  1 ? 6  
ATOM   1853 N  NZ  . LYS B 2 114 ? -7.999  -28.924 -19.610 1.000 85.032  0 444 LYS EEE NZ  1 ? 6  
ATOM   1854 N  N   . VAL B 2 115 ? -7.788  -29.309 -12.652 1.000 43.006  0 445 VAL EEE N   1 ? 6  
ATOM   1855 C  CA  . VAL B 2 115 ? -8.553  -30.465 -12.106 1.000 46.793  0 445 VAL EEE CA  1 ? 6  
ATOM   1856 C  C   . VAL B 2 115 ? -8.383  -31.623 -13.088 1.000 47.197  0 445 VAL EEE C   1 ? 6  
ATOM   1857 O  O   . VAL B 2 115 ? -8.632  -31.413 -14.298 1.000 49.204  0 445 VAL EEE O   1 ? 6  
ATOM   1858 C  CB  . VAL B 2 115 ? -10.033 -30.123 -11.873 1.000 48.919  0 445 VAL EEE CB  1 ? 6  
ATOM   1859 C  CG1 . VAL B 2 115 ? -10.838 -31.366 -11.525 1.000 50.211  0 445 VAL EEE CG1 1 ? 6  
ATOM   1860 C  CG2 . VAL B 2 115 ? -10.184 -29.059 -10.793 1.000 49.316  0 445 VAL EEE CG2 1 ? 6  
ATOM   1861 N  N   . GLY B 2 116 ? -7.886  -32.761 -12.594 1.000 46.967  0 446 GLY EEE N   1 ? 6  
ATOM   1862 C  CA  . GLY B 2 116 ? -7.622  -33.968 -13.403 1.000 45.148  0 446 GLY EEE CA  1 ? 6  
ATOM   1863 C  C   . GLY B 2 116 ? -6.214  -33.997 -13.961 1.000 42.556  0 446 GLY EEE C   1 ? 6  
ATOM   1864 O  O   . GLY B 2 116 ? -5.830  -35.040 -14.497 1.000 43.377  0 446 GLY EEE O   1 ? 6  
ATOM   1865 N  N   . GLY B 2 117 ? -5.459  -32.905 -13.811 1.000 39.196  0 447 GLY EEE N   1 ? 6  
ATOM   1866 C  CA  . GLY B 2 117 ? -4.035  -32.830 -14.145 1.000 36.166  0 447 GLY EEE CA  1 ? 6  
ATOM   1867 C  C   . GLY B 2 117 ? -3.801  -31.984 -15.365 1.000 36.742  0 447 GLY EEE C   1 ? 6  
ATOM   1868 O  O   . GLY B 2 117 ? -4.520  -32.139 -16.355 1.000 38.143  0 447 GLY EEE O   1 ? 6  
ATOM   1869 N  N   . ASN B 2 118 ? -2.796  -31.130 -15.302 1.000 36.950  0 448 ASN EEE N   1 ? 6  
ATOM   1870 C  CA  . ASN B 2 118 ? -2.249  -30.416 -16.472 1.000 36.567  0 448 ASN EEE CA  1 ? 6  
ATOM   1871 C  C   . ASN B 2 118 ? -1.029  -31.214 -16.926 1.000 39.410  0 448 ASN EEE C   1 ? 6  
ATOM   1872 O  O   . ASN B 2 118 ? 0.028   -31.118 -16.244 1.000 39.414  0 448 ASN EEE O   1 ? 6  
ATOM   1873 C  CB  . ASN B 2 118 ? -1.894  -28.960 -16.156 1.000 37.187  0 448 ASN EEE CB  1 ? 6  
ATOM   1874 C  CG  . ASN B 2 118 ? -1.293  -28.267 -17.360 1.000 38.030  0 448 ASN EEE CG  1 ? 6  
ATOM   1875 O  OD1 . ASN B 2 118 ? -1.197  -28.876 -18.419 1.000 38.762  0 448 ASN EEE OD1 1 ? 6  
ATOM   1876 N  ND2 . ASN B 2 118 ? -0.851  -27.030 -17.209 1.000 37.890  0 448 ASN EEE ND2 1 ? 6  
ATOM   1877 N  N   . TYR B 2 119 ? -1.139  -31.892 -18.068 1.000 38.437  0 449 TYR EEE N   1 ? 6  
ATOM   1878 C  CA  . TYR B 2 119 ? -0.106  -32.838 -18.560 1.000 40.797  0 449 TYR EEE CA  1 ? 6  
ATOM   1879 C  C   . TYR B 2 119 ? 0.820   -32.175 -19.594 1.000 39.893  0 449 TYR EEE C   1 ? 6  
ATOM   1880 O  O   . TYR B 2 119 ? 1.729   -32.881 -20.018 1.000 43.364  0 449 TYR EEE O   1 ? 6  
ATOM   1881 C  CB  . TYR B 2 119 ? -0.801  -34.105 -19.061 1.000 41.575  0 449 TYR EEE CB  1 ? 6  
ATOM   1882 C  CG  . TYR B 2 119 ? -1.306  -34.954 -17.927 1.000 40.699  0 449 TYR EEE CG  1 ? 6  
ATOM   1883 C  CD1 . TYR B 2 119 ? -0.414  -35.672 -17.157 1.000 40.207  0 449 TYR EEE CD1 1 ? 6  
ATOM   1884 C  CD2 . TYR B 2 119 ? -2.649  -34.990 -17.584 1.000 38.809  0 449 TYR EEE CD2 1 ? 6  
ATOM   1885 C  CE1 . TYR B 2 119 ? -0.842  -36.433 -16.082 1.000 42.591  0 449 TYR EEE CE1 1 ? 6  
ATOM   1886 C  CE2 . TYR B 2 119 ? -3.092  -35.756 -16.521 1.000 42.740  0 449 TYR EEE CE2 1 ? 6  
ATOM   1887 C  CZ  . TYR B 2 119 ? -2.181  -36.471 -15.760 1.000 44.755  0 449 TYR EEE CZ  1 ? 6  
ATOM   1888 O  OH  . TYR B 2 119 ? -2.559  -37.244 -14.702 1.000 51.150  0 449 TYR EEE OH  1 ? 6  
ATOM   1889 N  N   . ASN B 2 120 ? 0.642   -30.884 -19.918 1.000 38.904  0 450 ASN EEE N   1 ? 6  
ATOM   1890 C  CA  . ASN B 2 120 ? 1.451   -30.140 -20.924 1.000 37.769  0 450 ASN EEE CA  1 ? 6  
ATOM   1891 C  C   . ASN B 2 120 ? 2.918   -30.047 -20.500 1.000 34.051  0 450 ASN EEE C   1 ? 6  
ATOM   1892 O  O   . ASN B 2 120 ? 3.762   -30.267 -21.319 1.000 34.847  0 450 ASN EEE O   1 ? 6  
ATOM   1893 C  CB  . ASN B 2 120 ? 0.939   -28.720 -21.146 1.000 45.609  0 450 ASN EEE CB  1 ? 6  
ATOM   1894 C  CG  . ASN B 2 120 ? -0.344  -28.676 -21.951 1.000 62.906  0 450 ASN EEE CG  1 ? 6  
ATOM   1895 O  OD1 . ASN B 2 120 ? -0.816  -29.702 -22.454 1.000 63.164  0 450 ASN EEE OD1 1 ? 6  
ATOM   1896 N  ND2 . ASN B 2 120 ? -0.897  -27.481 -22.103 1.000 70.305  0 450 ASN EEE ND2 1 ? 6  
ATOM   1897 N  N   . TYR B 2 121 ? 3.225   -29.803 -19.228 1.000 28.576  0 451 TYR EEE N   1 ? 6  
ATOM   1898 C  CA  . TYR B 2 121 ? 4.612   -29.601 -18.770 1.000 27.032  0 451 TYR EEE CA  1 ? 6  
ATOM   1899 C  C   . TYR B 2 121 ? 5.325   -30.946 -18.599 1.000 26.288  0 451 TYR EEE C   1 ? 6  
ATOM   1900 O  O   . TYR B 2 121 ? 4.870   -31.835 -17.883 1.000 30.751  0 451 TYR EEE O   1 ? 6  
ATOM   1901 C  CB  . TYR B 2 121 ? 4.599   -28.806 -17.469 1.000 27.275  0 451 TYR EEE CB  1 ? 6  
ATOM   1902 C  CG  . TYR B 2 121 ? 4.131   -27.386 -17.634 1.000 29.041  0 451 TYR EEE CG  1 ? 6  
ATOM   1903 C  CD1 . TYR B 2 121 ? 4.883   -26.485 -18.373 1.000 29.571  0 451 TYR EEE CD1 1 ? 6  
ATOM   1904 C  CD2 . TYR B 2 121 ? 2.919   -26.956 -17.119 1.000 28.684  0 451 TYR EEE CD2 1 ? 6  
ATOM   1905 C  CE1 . TYR B 2 121 ? 4.482   -25.170 -18.537 1.000 31.839  0 451 TYR EEE CE1 1 ? 6  
ATOM   1906 C  CE2 . TYR B 2 121 ? 2.486   -25.658 -17.308 1.000 30.451  0 451 TYR EEE CE2 1 ? 6  
ATOM   1907 C  CZ  . TYR B 2 121 ? 3.276   -24.752 -18.008 1.000 31.716  0 451 TYR EEE CZ  1 ? 6  
ATOM   1908 O  OH  . TYR B 2 121 ? 2.910   -23.442 -18.151 1.000 32.718  0 451 TYR EEE OH  1 ? 6  
ATOM   1909 N  N   . LEU B 2 122 ? 6.502   -31.029 -19.182 1.000 26.699  0 452 LEU EEE N   1 ? 6  
ATOM   1910 C  CA  . LEU B 2 122 ? 7.364   -32.226 -19.179 1.000 26.744  0 452 LEU EEE CA  1 ? 6  
ATOM   1911 C  C   . LEU B 2 122 ? 8.719   -31.874 -18.589 1.000 25.463  0 452 LEU EEE C   1 ? 6  
ATOM   1912 O  O   . LEU B 2 122 ? 9.147   -30.694 -18.667 1.000 26.747  0 452 LEU EEE O   1 ? 6  
ATOM   1913 C  CB  . LEU B 2 122 ? 7.573   -32.750 -20.600 1.000 25.677  0 452 LEU EEE CB  1 ? 6  
ATOM   1914 C  CG  . LEU B 2 122 ? 6.331   -32.903 -21.483 1.000 28.134  0 452 LEU EEE CG  1 ? 6  
ATOM   1915 C  CD1 . LEU B 2 122 ? 6.727   -33.475 -22.850 1.000 28.321  0 452 LEU EEE CD1 1 ? 6  
ATOM   1916 C  CD2 . LEU B 2 122 ? 5.275   -33.789 -20.862 1.000 29.658  0 452 LEU EEE CD2 1 ? 6  
ATOM   1917 N  N   . TYR B 2 123 ? 9.425   -32.897 -18.125 1.000 26.058  0 453 TYR EEE N   1 ? 6  
ATOM   1918 C  CA  . TYR B 2 123 ? 10.870  -32.773 -17.833 1.000 26.029  0 453 TYR EEE CA  1 ? 6  
ATOM   1919 C  C   . TYR B 2 123 ? 11.564  -34.051 -18.273 1.000 24.792  0 453 TYR EEE C   1 ? 6  
ATOM   1920 O  O   . TYR B 2 123 ? 10.895  -35.104 -18.431 1.000 26.899  0 453 TYR EEE O   1 ? 6  
ATOM   1921 C  CB  . TYR B 2 123 ? 11.085  -32.449 -16.353 1.000 26.835  0 453 TYR EEE CB  1 ? 6  
ATOM   1922 C  CG  . TYR B 2 123 ? 10.771  -33.580 -15.403 1.000 30.557  0 453 TYR EEE CG  1 ? 6  
ATOM   1923 C  CD1 . TYR B 2 123 ? 9.464   -33.914 -15.092 1.000 30.488  0 453 TYR EEE CD1 1 ? 6  
ATOM   1924 C  CD2 . TYR B 2 123 ? 11.785  -34.280 -14.765 1.000 37.815  0 453 TYR EEE CD2 1 ? 6  
ATOM   1925 C  CE1 . TYR B 2 123 ? 9.163   -34.897 -14.162 1.000 32.795  0 453 TYR EEE CE1 1 ? 6  
ATOM   1926 C  CE2 . TYR B 2 123 ? 11.508  -35.279 -13.839 1.000 39.937  0 453 TYR EEE CE2 1 ? 6  
ATOM   1927 C  CZ  . TYR B 2 123 ? 10.188  -35.592 -13.538 1.000 39.438  0 453 TYR EEE CZ  1 ? 6  
ATOM   1928 O  OH  . TYR B 2 123 ? 9.883   -36.580 -12.643 1.000 46.104  0 453 TYR EEE OH  1 ? 6  
ATOM   1929 N  N   . ARG B 2 124 ? 12.879  -33.954 -18.456 1.000 25.270  0 454 ARG EEE N   1 ? 6  
ATOM   1930 C  CA  . ARG B 2 124 ? 13.737  -35.083 -18.860 1.000 26.865  0 454 ARG EEE CA  1 ? 6  
ATOM   1931 C  C   . ARG B 2 124 ? 14.165  -35.805 -17.584 1.000 28.473  0 454 ARG EEE C   1 ? 6  
ATOM   1932 O  O   . ARG B 2 124 ? 14.792  -35.175 -16.731 1.000 26.780  0 454 ARG EEE O   1 ? 6  
ATOM   1933 C  CB  . ARG B 2 124 ? 14.932  -34.611 -19.698 1.000 26.644  0 454 ARG EEE CB  1 ? 6  
ATOM   1934 C  CG  . ARG B 2 124 ? 15.720  -35.752 -20.323 1.000 27.026  0 454 ARG EEE CG  1 ? 6  
ATOM   1935 C  CD  . ARG B 2 124 ? 16.880  -35.310 -21.213 1.000 28.546  0 454 ARG EEE CD  1 ? 6  
ATOM   1936 N  NE  . ARG B 2 124 ? 16.359  -34.486 -22.297 1.000 28.614  0 454 ARG EEE NE  1 ? 6  
ATOM   1937 C  CZ  . ARG B 2 124 ? 15.776  -34.959 -23.398 1.000 27.490  0 454 ARG EEE CZ  1 ? 6  
ATOM   1938 N  NH1 . ARG B 2 124 ? 15.747  -36.252 -23.655 1.000 28.220  0 454 ARG EEE NH1 1 ? 6  
ATOM   1939 N  NH2 . ARG B 2 124 ? 15.275  -34.125 -24.283 1.000 28.927  0 454 ARG EEE NH2 1 ? 6  
ATOM   1940 N  N   . LEU B 2 125 ? 13.844  -37.090 -17.512 1.000 27.478  0 455 LEU EEE N   1 ? 6  
ATOM   1941 C  CA  . LEU B 2 125 ? 14.040  -37.989 -16.360 1.000 31.452  0 455 LEU EEE CA  1 ? 6  
ATOM   1942 C  C   . LEU B 2 125 ? 15.376  -38.717 -16.508 1.000 32.630  0 455 LEU EEE C   1 ? 6  
ATOM   1943 O  O   . LEU B 2 125 ? 15.966  -39.085 -15.477 1.000 32.989  0 455 LEU EEE O   1 ? 6  
ATOM   1944 C  CB  . LEU B 2 125 ? 12.826  -38.930 -16.343 1.000 35.562  0 455 LEU EEE CB  1 ? 6  
ATOM   1945 C  CG  . LEU B 2 125 ? 12.705  -39.859 -15.162 1.000 40.620  0 455 LEU EEE CG  1 ? 6  
ATOM   1946 C  CD1 . LEU B 2 125 ? 12.764  -39.062 -13.867 1.000 45.314  0 455 LEU EEE CD1 1 ? 6  
ATOM   1947 C  CD2 . LEU B 2 125 ? 11.431  -40.691 -15.238 1.000 40.101  0 455 LEU EEE CD2 1 ? 6  
ATOM   1948 N  N   . PHE B 2 126 ? 15.897  -38.844 -17.735 1.000 32.736  0 456 PHE EEE N   1 ? 6  
ATOM   1949 C  CA  . PHE B 2 126 ? 17.082  -39.678 -18.055 1.000 33.931  0 456 PHE EEE CA  1 ? 6  
ATOM   1950 C  C   . PHE B 2 126 ? 17.925  -39.030 -19.149 1.000 35.274  0 456 PHE EEE C   1 ? 6  
ATOM   1951 O  O   . PHE B 2 126 ? 17.344  -38.501 -20.099 1.000 31.176  0 456 PHE EEE O   1 ? 6  
ATOM   1952 C  CB  . PHE B 2 126 ? 16.674  -41.030 -18.625 1.000 36.695  0 456 PHE EEE CB  1 ? 6  
ATOM   1953 C  CG  . PHE B 2 126 ? 15.761  -41.831 -17.752 1.000 35.920  0 456 PHE EEE CG  1 ? 6  
ATOM   1954 C  CD1 . PHE B 2 126 ? 16.236  -42.391 -16.576 1.000 37.095  0 456 PHE EEE CD1 1 ? 6  
ATOM   1955 C  CD2 . PHE B 2 126 ? 14.439  -42.023 -18.104 1.000 34.750  0 456 PHE EEE CD2 1 ? 6  
ATOM   1956 C  CE1 . PHE B 2 126 ? 15.391  -43.106 -15.754 1.000 36.037  0 456 PHE EEE CE1 1 ? 6  
ATOM   1957 C  CE2 . PHE B 2 126 ? 13.598  -42.761 -17.291 1.000 33.069  0 456 PHE EEE CE2 1 ? 6  
ATOM   1958 C  CZ  . PHE B 2 126 ? 14.075  -43.295 -16.115 1.000 38.868  0 456 PHE EEE CZ  1 ? 6  
ATOM   1959 N  N   . ARG B 2 127 ? 19.246  -39.149 -19.039 1.000 34.976  0 457 ARG EEE N   1 ? 6  
ATOM   1960 C  CA  . ARG B 2 127 ? 20.208  -38.664 -20.057 1.000 35.632  0 457 ARG EEE CA  1 ? 6  
ATOM   1961 C  C   . ARG B 2 127 ? 21.548  -39.380 -19.851 1.000 41.229  0 457 ARG EEE C   1 ? 6  
ATOM   1962 O  O   . ARG B 2 127 ? 21.911  -39.661 -18.698 1.000 37.407  0 457 ARG EEE O   1 ? 6  
ATOM   1963 C  CB  . ARG B 2 127 ? 20.338  -37.149 -19.954 1.000 35.757  0 457 ARG EEE CB  1 ? 6  
ATOM   1964 C  CG  . ARG B 2 127 ? 20.870  -36.506 -21.223 1.000 34.914  0 457 ARG EEE CG  1 ? 6  
ATOM   1965 C  CD  . ARG B 2 127 ? 20.867  -34.999 -21.112 1.000 36.208  0 457 ARG EEE CD  1 ? 6  
ATOM   1966 N  NE  . ARG B 2 127 ? 21.232  -34.447 -22.407 1.000 37.667  0 457 ARG EEE NE  1 ? 6  
ATOM   1967 C  CZ  . ARG B 2 127 ? 22.466  -34.190 -22.829 1.000 39.613  0 457 ARG EEE CZ  1 ? 6  
ATOM   1968 N  NH1 . ARG B 2 127 ? 23.512  -34.340 -22.033 1.000 39.158  0 457 ARG EEE NH1 1 ? 6  
ATOM   1969 N  NH2 . ARG B 2 127 ? 22.644  -33.709 -24.046 1.000 39.848  0 457 ARG EEE NH2 1 ? 6  
ATOM   1970 N  N   . LYS B 2 128 ? 22.221  -39.722 -20.943 1.000 39.509  0 458 LYS EEE N   1 ? 7  
ATOM   1971 C  CA  . LYS B 2 128 ? 23.497  -40.480 -20.939 1.000 44.554  0 458 LYS EEE CA  1 ? 7  
ATOM   1972 C  C   . LYS B 2 128 ? 24.585  -39.639 -20.238 1.000 42.795  0 458 LYS EEE C   1 ? 7  
ATOM   1973 O  O   . LYS B 2 128 ? 25.491  -40.208 -19.646 1.000 45.023  0 458 LYS EEE O   1 ? 7  
ATOM   1974 C  CB  . LYS B 2 128 ? 23.801  -40.857 -22.395 1.000 50.748  0 458 LYS EEE CB  1 ? 7  
ATOM   1975 C  CG  . LYS B 2 128 ? 25.254  -41.143 -22.722 1.000 69.792  0 458 LYS EEE CG  1 ? 7  
ATOM   1976 C  CD  . LYS B 2 128 ? 25.462  -41.754 -24.108 1.000 81.613  0 458 LYS EEE CD  1 ? 7  
ATOM   1977 C  CE  . LYS B 2 128 ? 26.932  -41.927 -24.453 1.000 91.555  0 458 LYS EEE CE  1 ? 7  
ATOM   1978 N  NZ  . LYS B 2 128 ? 27.175  -43.121 -25.305 1.000 99.536  0 458 LYS EEE NZ  1 ? 7  
ATOM   1979 N  N   . SER B 2 129 ? 24.555  -38.317 -20.326 1.000 38.568  0 459 SER EEE N   1 ? 7  
ATOM   1980 C  CA  . SER B 2 129 ? 25.528  -37.471 -19.600 1.000 40.190  0 459 SER EEE CA  1 ? 7  
ATOM   1981 C  C   . SER B 2 129 ? 24.824  -36.214 -19.102 1.000 36.780  0 459 SER EEE C   1 ? 7  
ATOM   1982 O  O   . SER B 2 129 ? 23.688  -35.969 -19.535 1.000 36.697  0 459 SER EEE O   1 ? 7  
ATOM   1983 C  CB  . SER B 2 129 ? 26.711  -37.156 -20.470 1.000 43.192  0 459 SER EEE CB  1 ? 7  
ATOM   1984 O  OG  . SER B 2 129 ? 26.276  -36.422 -21.596 1.000 44.209  0 459 SER EEE OG  1 ? 7  
ATOM   1985 N  N   . ASN B 2 130 ? 25.476  -35.469 -18.213 1.000 35.220  0 460 ASN EEE N   1 ? 7  
ATOM   1986 C  CA  . ASN B 2 130 ? 24.941  -34.207 -17.668 1.000 35.596  0 460 ASN EEE CA  1 ? 7  
ATOM   1987 C  C   . ASN B 2 130 ? 24.959  -33.144 -18.759 1.000 35.716  0 460 ASN EEE C   1 ? 7  
ATOM   1988 O  O   . ASN B 2 130 ? 25.900  -33.151 -19.571 1.000 34.869  0 460 ASN EEE O   1 ? 7  
ATOM   1989 C  CB  . ASN B 2 130 ? 25.720  -33.754 -16.437 1.000 37.702  0 460 ASN EEE CB  1 ? 7  
ATOM   1990 C  CG  . ASN B 2 130 ? 25.441  -34.669 -15.265 1.000 38.804  0 460 ASN EEE CG  1 ? 7  
ATOM   1991 O  OD1 . ASN B 2 130 ? 24.532  -35.495 -15.308 1.000 37.881  0 460 ASN EEE OD1 1 ? 7  
ATOM   1992 N  ND2 . ASN B 2 130 ? 26.259  -34.569 -14.249 1.000 43.875  0 460 ASN EEE ND2 1 ? 7  
ATOM   1993 N  N   . LEU B 2 131 ? 23.977  -32.246 -18.749 1.000 33.521  0 461 LEU EEE N   1 ? 7  
ATOM   1994 C  CA  . LEU B 2 131 ? 23.952  -31.096 -19.688 1.000 35.253  0 461 LEU EEE CA  1 ? 7  
ATOM   1995 C  C   . LEU B 2 131 ? 25.155  -30.222 -19.401 1.000 36.689  0 461 LEU EEE C   1 ? 7  
ATOM   1996 O  O   . LEU B 2 131 ? 25.525  -30.117 -18.237 1.000 36.124  0 461 LEU EEE O   1 ? 7  
ATOM   1997 C  CB  . LEU B 2 131 ? 22.716  -30.226 -19.501 1.000 35.514  0 461 LEU EEE CB  1 ? 7  
ATOM   1998 C  CG  . LEU B 2 131 ? 21.412  -30.723 -20.080 1.000 34.656  0 461 LEU EEE CG  1 ? 7  
ATOM   1999 C  CD1 . LEU B 2 131 ? 20.363  -29.654 -19.799 1.000 31.370  0 461 LEU EEE CD1 1 ? 7  
ATOM   2000 C  CD2 . LEU B 2 131 ? 21.555  -31.019 -21.575 1.000 34.466  0 461 LEU EEE CD2 1 ? 7  
ATOM   2001 N  N   . LYS B 2 132 ? 25.675  -29.570 -20.436 1.000 36.044  0 462 LYS EEE N   1 ? 7  
ATOM   2002 C  CA  . LYS B 2 132 ? 26.619  -28.444 -20.286 1.000 39.392  0 462 LYS EEE CA  1 ? 7  
ATOM   2003 C  C   . LYS B 2 132 ? 25.801  -27.227 -19.880 1.000 35.632  0 462 LYS EEE C   1 ? 7  
ATOM   2004 O  O   . LYS B 2 132 ? 24.597  -27.192 -20.120 1.000 33.903  0 462 LYS EEE O   1 ? 7  
ATOM   2005 C  CB  . LYS B 2 132 ? 27.378  -28.174 -21.589 1.000 43.023  0 462 LYS EEE CB  1 ? 7  
ATOM   2006 C  CG  . LYS B 2 132 ? 28.100  -29.375 -22.173 1.000 52.193  0 462 LYS EEE CG  1 ? 7  
ATOM   2007 C  CD  . LYS B 2 132 ? 29.286  -29.820 -21.362 1.000 61.706  0 462 LYS EEE CD  1 ? 7  
ATOM   2008 C  CE  . LYS B 2 132 ? 30.144  -30.851 -22.076 1.000 72.711  0 462 LYS EEE CE  1 ? 7  
ATOM   2009 N  NZ  . LYS B 2 132 ? 31.590  -30.524 -21.981 1.000 84.885  0 462 LYS EEE NZ  1 ? 7  
ATOM   2010 N  N   . PRO B 2 133 ? 26.427  -26.194 -19.282 1.000 36.862  0 463 PRO EEE N   1 ? 7  
ATOM   2011 C  CA  . PRO B 2 133 ? 25.709  -24.964 -18.947 1.000 36.152  0 463 PRO EEE CA  1 ? 7  
ATOM   2012 C  C   . PRO B 2 133 ? 24.953  -24.370 -20.140 1.000 35.289  0 463 PRO EEE C   1 ? 7  
ATOM   2013 O  O   . PRO B 2 133 ? 25.495  -24.322 -21.222 1.000 36.178  0 463 PRO EEE O   1 ? 7  
ATOM   2014 C  CB  . PRO B 2 133 ? 26.810  -24.052 -18.411 1.000 37.888  0 463 PRO EEE CB  1 ? 7  
ATOM   2015 C  CG  . PRO B 2 133 ? 27.850  -25.017 -17.863 1.000 40.332  0 463 PRO EEE CG  1 ? 7  
ATOM   2016 C  CD  . PRO B 2 133 ? 27.824  -26.193 -18.819 1.000 38.946  0 463 PRO EEE CD  1 ? 7  
ATOM   2017 N  N   . PHE B 2 134 ? 23.666  -24.067 -19.956 1.000 33.131  0 464 PHE EEE N   1 ? 7  
ATOM   2018 C  CA  . PHE B 2 134 ? 22.814  -23.389 -20.959 1.000 34.609  0 464 PHE EEE CA  1 ? 7  
ATOM   2019 C  C   . PHE B 2 134 ? 22.595  -24.267 -22.201 1.000 36.843  0 464 PHE EEE C   1 ? 7  
ATOM   2020 O  O   . PHE B 2 134 ? 22.260  -23.717 -23.245 1.000 35.643  0 464 PHE EEE O   1 ? 7  
ATOM   2021 C  CB  . PHE B 2 134 ? 23.435  -22.047 -21.361 1.000 36.343  0 464 PHE EEE CB  1 ? 7  
ATOM   2022 C  CG  . PHE B 2 134 ? 23.510  -21.059 -20.235 1.000 36.817  0 464 PHE EEE CG  1 ? 7  
ATOM   2023 C  CD1 . PHE B 2 134 ? 22.388  -20.756 -19.490 1.000 37.158  0 464 PHE EEE CD1 1 ? 7  
ATOM   2024 C  CD2 . PHE B 2 134 ? 24.709  -20.432 -19.915 1.000 41.568  0 464 PHE EEE CD2 1 ? 7  
ATOM   2025 C  CE1 . PHE B 2 134 ? 22.456  -19.844 -18.443 1.000 39.504  0 464 PHE EEE CE1 1 ? 7  
ATOM   2026 C  CE2 . PHE B 2 134 ? 24.781  -19.540 -18.857 1.000 42.847  0 464 PHE EEE CE2 1 ? 7  
ATOM   2027 C  CZ  . PHE B 2 134 ? 23.651  -19.248 -18.120 1.000 41.487  0 464 PHE EEE CZ  1 ? 7  
ATOM   2028 N  N   . GLU B 2 135 ? 22.783  -25.575 -22.089 1.000 33.039  0 465 GLU EEE N   1 ? 7  
ATOM   2029 C  CA  . GLU B 2 135 ? 22.448  -26.530 -23.157 1.000 35.563  0 465 GLU EEE CA  1 ? 7  
ATOM   2030 C  C   . GLU B 2 135 ? 20.938  -26.794 -23.084 1.000 33.525  0 465 GLU EEE C   1 ? 7  
ATOM   2031 O  O   . GLU B 2 135 ? 20.341  -26.762 -21.958 1.000 30.654  0 465 GLU EEE O   1 ? 7  
ATOM   2032 C  CB  . GLU B 2 135 ? 23.341  -27.770 -23.014 1.000 39.574  0 465 GLU EEE CB  1 ? 7  
ATOM   2033 C  CG  . GLU B 2 135 ? 23.167  -28.784 -24.128 1.000 43.620  0 465 GLU EEE CG  1 ? 7  
ATOM   2034 C  CD  . GLU B 2 135 ? 24.064  -30.018 -24.075 1.000 47.283  0 465 GLU EEE CD  1 ? 7  
ATOM   2035 O  OE1 . GLU B 2 135 ? 24.882  -30.168 -23.107 1.000 43.213  0 465 GLU EEE OE1 1 ? 7  
ATOM   2036 O  OE2 . GLU B 2 135 ? 23.929  -30.833 -25.001 1.000 53.470  0 465 GLU EEE OE2 1 ? 7  
ATOM   2037 N  N   . ARG B 2 136 ? 20.306  -26.992 -24.246 1.000 30.659  0 466 ARG EEE N   1 ? 7  
ATOM   2038 C  CA  . ARG B 2 136 ? 18.842  -27.294 -24.344 1.000 30.862  0 466 ARG EEE CA  1 ? 7  
ATOM   2039 C  C   . ARG B 2 136 ? 18.659  -28.536 -25.219 1.000 33.381  0 466 ARG EEE C   1 ? 7  
ATOM   2040 O  O   . ARG B 2 136 ? 18.906  -28.448 -26.449 1.000 32.573  0 466 ARG EEE O   1 ? 7  
ATOM   2041 C  CB  . ARG B 2 136 ? 18.114  -26.065 -24.898 1.000 31.653  0 466 ARG EEE CB  1 ? 7  
ATOM   2042 C  CG  . ARG B 2 136 ? 16.626  -26.226 -25.178 1.000 33.462  0 466 ARG EEE CG  1 ? 7  
ATOM   2043 C  CD  . ARG B 2 136 ? 16.081  -24.926 -25.737 1.000 31.349  0 466 ARG EEE CD  1 ? 7  
ATOM   2044 N  NE  . ARG B 2 136 ? 14.659  -24.888 -26.031 1.000 30.821  0 466 ARG EEE NE  1 ? 7  
ATOM   2045 C  CZ  . ARG B 2 136 ? 14.092  -25.285 -27.175 1.000 32.998  0 466 ARG EEE CZ  1 ? 7  
ATOM   2046 N  NH1 . ARG B 2 136 ? 14.807  -25.863 -28.138 1.000 31.153  0 466 ARG EEE NH1 1 ? 7  
ATOM   2047 N  NH2 . ARG B 2 136 ? 12.790  -25.132 -27.329 1.000 31.141  0 466 ARG EEE NH2 1 ? 7  
ATOM   2048 N  N   . ASP B 2 137 ? 18.233  -29.630 -24.605 1.000 31.188  0 467 ASP EEE N   1 ? 7  
ATOM   2049 C  CA  . ASP B 2 137 ? 18.150  -30.974 -25.226 1.000 34.289  0 467 ASP EEE CA  1 ? 7  
ATOM   2050 C  C   . ASP B 2 137 ? 16.664  -31.260 -25.413 1.000 32.741  0 467 ASP EEE C   1 ? 7  
ATOM   2051 O  O   . ASP B 2 137 ? 15.976  -31.428 -24.397 1.000 27.516  0 467 ASP EEE O   1 ? 7  
ATOM   2052 C  CB  . ASP B 2 137 ? 18.849  -32.044 -24.370 1.000 33.053  0 467 ASP EEE CB  1 ? 7  
ATOM   2053 C  CG  . ASP B 2 137 ? 18.829  -33.434 -24.993 1.000 37.957  0 467 ASP EEE CG  1 ? 7  
ATOM   2054 O  OD1 . ASP B 2 137 ? 18.220  -33.586 -26.095 1.000 32.836  0 467 ASP EEE OD1 1 ? 7  
ATOM   2055 O  OD2 . ASP B 2 137 ? 19.462  -34.351 -24.411 1.000 33.974  0 467 ASP EEE OD2 1 ? 7  
ATOM   2056 N  N   . ILE B 2 138 ? 16.186  -31.309 -26.658 1.000 31.154  0 468 ILE EEE N   1 ? 7  
ATOM   2057 C  CA  . ILE B 2 138 ? 14.751  -31.575 -26.964 1.000 31.188  0 468 ILE EEE CA  1 ? 7  
ATOM   2058 C  C   . ILE B 2 138 ? 14.633  -32.930 -27.662 1.000 31.776  0 468 ILE EEE C   1 ? 7  
ATOM   2059 O  O   . ILE B 2 138 ? 13.566  -33.216 -28.222 1.000 32.761  0 468 ILE EEE O   1 ? 7  
ATOM   2060 C  CB  . ILE B 2 138 ? 14.104  -30.412 -27.742 1.000 31.120  0 468 ILE EEE CB  1 ? 7  
ATOM   2061 C  CG1 . ILE B 2 138 ? 14.866  -30.004 -29.009 1.000 35.938  0 468 ILE EEE CG1 1 ? 7  
ATOM   2062 C  CG2 . ILE B 2 138 ? 13.947  -29.207 -26.830 1.000 32.848  0 468 ILE EEE CG2 1 ? 7  
ATOM   2063 C  CD1 . ILE B 2 138 ? 14.555  -30.805 -30.227 1.000 42.292  0 468 ILE EEE CD1 1 ? 7  
ATOM   2064 N  N   . SER B 2 139 ? 15.667  -33.768 -27.590 1.000 31.830  0 469 SER EEE N   1 ? 7  
ATOM   2065 C  CA  . SER B 2 139 ? 15.692  -35.088 -28.267 1.000 31.760  0 469 SER EEE CA  1 ? 7  
ATOM   2066 C  C   . SER B 2 139 ? 14.716  -36.060 -27.578 1.000 29.680  0 469 SER EEE C   1 ? 7  
ATOM   2067 O  O   . SER B 2 139 ? 14.411  -35.895 -26.399 1.000 28.346  0 469 SER EEE O   1 ? 7  
ATOM   2068 C  CB  . SER B 2 139 ? 17.094  -35.649 -28.352 1.000 32.449  0 469 SER EEE CB  1 ? 7  
ATOM   2069 O  OG  . SER B 2 139 ? 17.566  -35.975 -27.062 1.000 32.641  0 469 SER EEE OG  1 ? 7  
ATOM   2070 N  N   . THR B 2 140 ? 14.261  -37.080 -28.292 1.000 30.369  0 470 THR EEE N   1 ? 7  
ATOM   2071 C  CA  . THR B 2 140 ? 13.215  -37.997 -27.802 1.000 32.021  0 470 THR EEE CA  1 ? 7  
ATOM   2072 C  C   . THR B 2 140 ? 13.563  -39.433 -28.194 1.000 32.610  0 470 THR EEE C   1 ? 7  
ATOM   2073 O  O   . THR B 2 140 ? 12.627  -40.195 -28.527 1.000 38.490  0 470 THR EEE O   1 ? 7  
ATOM   2074 C  CB  . THR B 2 140 ? 11.844  -37.518 -28.283 1.000 34.679  0 470 THR EEE CB  1 ? 7  
ATOM   2075 O  OG1 . THR B 2 140 ? 11.895  -37.391 -29.696 1.000 35.787  0 470 THR EEE OG1 1 ? 7  
ATOM   2076 C  CG2 . THR B 2 140 ? 11.437  -36.188 -27.696 1.000 35.050  0 470 THR EEE CG2 1 ? 7  
ATOM   2077 N  N   . GLU B 2 141 ? 14.834  -39.815 -28.095 1.000 29.880  0 471 GLU EEE N   1 ? 7  
ATOM   2078 C  CA  . GLU B 2 141 ? 15.259  -41.198 -28.387 1.000 32.548  0 471 GLU EEE CA  1 ? 7  
ATOM   2079 C  C   . GLU B 2 141 ? 15.105  -42.026 -27.109 1.000 30.500  0 471 GLU EEE C   1 ? 7  
ATOM   2080 O  O   . GLU B 2 141 ? 15.276  -41.464 -26.035 1.000 29.641  0 471 GLU EEE O   1 ? 7  
ATOM   2081 C  CB  . GLU B 2 141 ? 16.670  -41.210 -28.967 1.000 40.302  0 471 GLU EEE CB  1 ? 7  
ATOM   2082 C  CG  . GLU B 2 141 ? 16.708  -40.787 -30.440 1.000 47.377  0 471 GLU EEE CG  1 ? 7  
ATOM   2083 C  CD  . GLU B 2 141 ? 15.734  -41.516 -31.377 1.000 54.257  0 471 GLU EEE CD  1 ? 7  
ATOM   2084 O  OE1 . GLU B 2 141 ? 15.920  -42.731 -31.619 1.000 54.855  0 471 GLU EEE OE1 1 ? 7  
ATOM   2085 O  OE2 . GLU B 2 141 ? 14.750  -40.878 -31.847 1.000 64.690  0 471 GLU EEE OE2 1 ? 7  
ATOM   2086 N  N   . ILE B 2 142 ? 14.797  -43.309 -27.229 1.000 29.987  0 472 ILE EEE N   1 ? 7  
ATOM   2087 C  CA  . ILE B 2 142 ? 14.774  -44.209 -26.040 1.000 30.113  0 472 ILE EEE CA  1 ? 7  
ATOM   2088 C  C   . ILE B 2 142 ? 16.084  -44.032 -25.280 1.000 31.523  0 472 ILE EEE C   1 ? 7  
ATOM   2089 O  O   . ILE B 2 142 ? 17.147  -44.051 -25.900 1.000 29.217  0 472 ILE EEE O   1 ? 7  
ATOM   2090 C  CB  . ILE B 2 142 ? 14.555  -45.666 -26.440 1.000 31.610  0 472 ILE EEE CB  1 ? 7  
ATOM   2091 C  CG1 . ILE B 2 142 ? 13.184  -45.823 -27.094 1.000 32.624  0 472 ILE EEE CG1 1 ? 7  
ATOM   2092 C  CG2 . ILE B 2 142 ? 14.720  -46.610 -25.248 1.000 33.469  0 472 ILE EEE CG2 1 ? 7  
ATOM   2093 C  CD1 . ILE B 2 142 ? 12.981  -47.181 -27.641 1.000 33.775  0 472 ILE EEE CD1 1 ? 7  
ATOM   2094 N  N   . TYR B 2 143 ? 16.012  -43.946 -23.956 1.000 30.181  0 473 TYR EEE N   1 ? 7  
ATOM   2095 C  CA  . TYR B 2 143 ? 17.205  -43.919 -23.080 1.000 30.740  0 473 TYR EEE CA  1 ? 7  
ATOM   2096 C  C   . TYR B 2 143 ? 17.648  -45.359 -22.792 1.000 33.934  0 473 TYR EEE C   1 ? 7  
ATOM   2097 O  O   . TYR B 2 143 ? 16.864  -46.133 -22.209 1.000 31.579  0 473 TYR EEE O   1 ? 7  
ATOM   2098 C  CB  . TYR B 2 143 ? 16.914  -43.174 -21.773 1.000 30.791  0 473 TYR EEE CB  1 ? 7  
ATOM   2099 C  CG  . TYR B 2 143 ? 18.072  -43.238 -20.816 1.000 31.361  0 473 TYR EEE CG  1 ? 7  
ATOM   2100 C  CD1 . TYR B 2 143 ? 19.246  -42.565 -21.093 1.000 33.129  0 473 TYR EEE CD1 1 ? 7  
ATOM   2101 C  CD2 . TYR B 2 143 ? 17.995  -43.976 -19.642 1.000 32.046  0 473 TYR EEE CD2 1 ? 7  
ATOM   2102 C  CE1 . TYR B 2 143 ? 20.333  -42.648 -20.234 1.000 37.412  0 473 TYR EEE CE1 1 ? 7  
ATOM   2103 C  CE2 . TYR B 2 143 ? 19.049  -44.028 -18.750 1.000 35.045  0 473 TYR EEE CE2 1 ? 7  
ATOM   2104 C  CZ  . TYR B 2 143 ? 20.217  -43.353 -19.046 1.000 36.630  0 473 TYR EEE CZ  1 ? 7  
ATOM   2105 O  OH  . TYR B 2 143 ? 21.264  -43.456 -18.193 1.000 42.099  0 473 TYR EEE OH  1 ? 7  
ATOM   2106 N  N   . GLN B 2 144 ? 18.902  -45.669 -23.134 1.000 30.797  0 474 GLN EEE N   1 ? 8  
ATOM   2107 C  CA  . GLN B 2 144 ? 19.551  -46.975 -22.906 1.000 32.304  0 474 GLN EEE CA  1 ? 8  
ATOM   2108 C  C   . GLN B 2 144 ? 20.238  -46.909 -21.548 1.000 34.283  0 474 GLN EEE C   1 ? 8  
ATOM   2109 O  O   . GLN B 2 144 ? 21.323  -46.305 -21.452 1.000 33.429  0 474 GLN EEE O   1 ? 8  
ATOM   2110 C  CB  . GLN B 2 144 ? 20.526  -47.274 -24.048 1.000 34.266  0 474 GLN EEE CB  1 ? 8  
ATOM   2111 C  CG  . GLN B 2 144 ? 21.078  -48.695 -23.991 1.000 35.258  0 474 GLN EEE CG  1 ? 8  
ATOM   2112 C  CD  . GLN B 2 144 ? 22.203  -48.944 -24.967 1.000 37.794  0 474 GLN EEE CD  1 ? 8  
ATOM   2113 O  OE1 . GLN B 2 144 ? 22.119  -48.615 -26.134 1.000 37.921  0 474 GLN EEE OE1 1 ? 8  
ATOM   2114 N  NE2 . GLN B 2 144 ? 23.249  -49.596 -24.512 1.000 38.972  0 474 GLN EEE NE2 1 ? 8  
ATOM   2115 N  N   . ALA B 2 145 ? 19.608  -47.461 -20.509 1.000 33.520  0 475 ALA EEE N   1 ? 8  
ATOM   2116 C  CA  . ALA B 2 145 ? 20.097  -47.321 -19.121 1.000 35.098  0 475 ALA EEE CA  1 ? 8  
ATOM   2117 C  C   . ALA B 2 145 ? 21.234  -48.310 -18.860 1.000 38.198  0 475 ALA EEE C   1 ? 8  
ATOM   2118 O  O   . ALA B 2 145 ? 21.972  -48.095 -17.908 1.000 39.342  0 475 ALA EEE O   1 ? 8  
ATOM   2119 C  CB  . ALA B 2 145 ? 18.981  -47.525 -18.125 1.000 35.294  0 475 ALA EEE CB  1 ? 8  
ATOM   2120 N  N   . GLY B 2 146 ? 21.354  -49.383 -19.634 1.000 38.951  0 476 GLY EEE N   1 ? 8  
ATOM   2121 C  CA  . GLY B 2 146 ? 22.416  -50.390 -19.415 1.000 40.543  0 476 GLY EEE CA  1 ? 8  
ATOM   2122 C  C   . GLY B 2 146 ? 23.224  -50.667 -20.669 1.000 40.391  0 476 GLY EEE C   1 ? 8  
ATOM   2123 O  O   . GLY B 2 146 ? 23.168  -49.844 -21.583 1.000 39.211  0 476 GLY EEE O   1 ? 8  
ATOM   2124 N  N   . SER B 2 147 ? 23.908  -51.812 -20.736 1.000 39.718  0 477 SER EEE N   1 ? 8  
ATOM   2125 C  CA  . SER B 2 147 ? 24.808  -52.162 -21.860 1.000 43.108  0 477 SER EEE CA  1 ? 8  
ATOM   2126 C  C   . SER B 2 147 ? 24.019  -52.673 -23.078 1.000 43.239  0 477 SER EEE C   1 ? 8  
ATOM   2127 O  O   . SER B 2 147 ? 24.578  -52.641 -24.180 1.000 43.319  0 477 SER EEE O   1 ? 8  
ATOM   2128 C  CB  . SER B 2 147 ? 25.854  -53.165 -21.419 1.000 43.591  0 477 SER EEE CB  1 ? 8  
ATOM   2129 O  OG  . SER B 2 147 ? 25.257  -54.382 -20.991 1.000 50.846  0 477 SER EEE OG  1 ? 8  
ATOM   2130 N  N   . THR B 2 148 ? 22.798  -53.186 -22.903 1.000 41.985  0 478 THR EEE N   1 ? 8  
ATOM   2131 C  CA  . THR B 2 148 ? 22.017  -53.825 -23.993 1.000 42.090  0 478 THR EEE CA  1 ? 8  
ATOM   2132 C  C   . THR B 2 148 ? 21.321  -52.753 -24.823 1.000 38.604  0 478 THR EEE C   1 ? 8  
ATOM   2133 O  O   . THR B 2 148 ? 20.553  -51.958 -24.277 1.000 35.647  0 478 THR EEE O   1 ? 8  
ATOM   2134 C  CB  . THR B 2 148 ? 20.963  -54.783 -23.444 1.000 45.061  0 478 THR EEE CB  1 ? 8  
ATOM   2135 O  OG1 . THR B 2 148 ? 21.659  -55.640 -22.550 1.000 46.681  0 478 THR EEE OG1 1 ? 8  
ATOM   2136 C  CG2 . THR B 2 148 ? 20.287  -55.602 -24.524 1.000 47.916  0 478 THR EEE CG2 1 ? 8  
ATOM   2137 N  N   . PRO B 2 149 ? 21.548  -52.699 -26.156 1.000 40.061  0 479 PRO EEE N   1 ? 8  
ATOM   2138 C  CA  . PRO B 2 149 ? 20.833  -51.737 -26.993 1.000 40.013  0 479 PRO EEE CA  1 ? 8  
ATOM   2139 C  C   . PRO B 2 149 ? 19.313  -51.975 -26.924 1.000 36.163  0 479 PRO EEE C   1 ? 8  
ATOM   2140 O  O   . PRO B 2 149 ? 18.893  -53.099 -26.819 1.000 35.264  0 479 PRO EEE O   1 ? 8  
ATOM   2141 C  CB  . PRO B 2 149 ? 21.372  -51.945 -28.419 1.000 41.721  0 479 PRO EEE CB  1 ? 8  
ATOM   2142 C  CG  . PRO B 2 149 ? 22.313  -53.135 -28.358 1.000 46.458  0 479 PRO EEE CG  1 ? 8  
ATOM   2143 C  CD  . PRO B 2 149 ? 22.536  -53.493 -26.901 1.000 42.665  0 479 PRO EEE CD  1 ? 8  
ATOM   2144 N  N   . CYS B 2 150 ? 18.523  -50.909 -27.016 1.000 35.426  0 480 CYS EEE N   1 ? 8  
ATOM   2145 C  CA  . CYS B 2 150 ? 17.040  -50.983 -26.982 1.000 36.724  0 480 CYS EEE CA  1 ? 8  
ATOM   2146 C  C   . CYS B 2 150 ? 16.472  -51.343 -28.369 1.000 36.815  0 480 CYS EEE C   1 ? 8  
ATOM   2147 O  O   . CYS B 2 150 ? 15.361  -51.903 -28.428 1.000 32.464  0 480 CYS EEE O   1 ? 8  
ATOM   2148 C  CB  . CYS B 2 150 ? 16.480  -49.678 -26.435 1.000 40.520  0 480 CYS EEE CB  1 ? 8  
ATOM   2149 S  SG  . CYS B 2 150 ? 17.147  -49.280 -24.785 1.000 49.966  0 480 CYS EEE SG  1 ? 8  
ATOM   2150 N  N   . ASN B 2 151 ? 17.176  -51.023 -29.456 1.000 37.563  0 481 ASN EEE N   1 ? 8  
ATOM   2151 C  CA  . ASN B 2 151 ? 16.690  -51.338 -30.827 1.000 37.992  0 481 ASN EEE CA  1 ? 8  
ATOM   2152 C  C   . ASN B 2 151 ? 15.227  -50.917 -31.013 1.000 34.705  0 481 ASN EEE C   1 ? 8  
ATOM   2153 O  O   . ASN B 2 151 ? 14.436  -51.718 -31.519 1.000 36.246  0 481 ASN EEE O   1 ? 8  
ATOM   2154 C  CB  . ASN B 2 151 ? 16.863  -52.827 -31.098 1.000 41.941  0 481 ASN EEE CB  1 ? 8  
ATOM   2155 C  CG  . ASN B 2 151 ? 18.330  -53.180 -31.200 1.000 48.356  0 481 ASN EEE CG  1 ? 8  
ATOM   2156 O  OD1 . ASN B 2 151 ? 19.153  -52.336 -31.565 1.000 56.339  0 481 ASN EEE OD1 1 ? 8  
ATOM   2157 N  ND2 . ASN B 2 151 ? 18.668  -54.399 -30.830 1.000 53.205  0 481 ASN EEE ND2 1 ? 8  
ATOM   2158 N  N   . GLY B 2 152 ? 14.868  -49.730 -30.553 1.000 34.345  0 482 GLY EEE N   1 ? 8  
ATOM   2159 C  CA  . GLY B 2 152 ? 13.536  -49.133 -30.774 1.000 35.038  0 482 GLY EEE CA  1 ? 8  
ATOM   2160 C  C   . GLY B 2 152 ? 12.436  -49.698 -29.877 1.000 32.462  0 482 GLY EEE C   1 ? 8  
ATOM   2161 O  O   . GLY B 2 152 ? 11.268  -49.330 -30.096 1.000 30.502  0 482 GLY EEE O   1 ? 8  
ATOM   2162 N  N   . VAL B 2 153 ? 12.768  -50.477 -28.849 1.000 30.266  0 483 VAL EEE N   1 ? 8  
ATOM   2163 C  CA  . VAL B 2 153 ? 11.738  -51.091 -27.976 1.000 29.369  0 483 VAL EEE CA  1 ? 8  
ATOM   2164 C  C   . VAL B 2 153 ? 12.001  -50.713 -26.511 1.000 29.983  0 483 VAL EEE C   1 ? 8  
ATOM   2165 O  O   . VAL B 2 153 ? 13.103  -50.982 -26.013 1.000 31.147  0 483 VAL EEE O   1 ? 8  
ATOM   2166 C  CB  . VAL B 2 153 ? 11.684  -52.609 -28.165 1.000 30.483  0 483 VAL EEE CB  1 ? 8  
ATOM   2167 C  CG1 . VAL B 2 153 ? 10.614  -53.203 -27.280 1.000 29.913  0 483 VAL EEE CG1 1 ? 8  
ATOM   2168 C  CG2 . VAL B 2 153 ? 11.449  -53.004 -29.631 1.000 31.637  0 483 VAL EEE CG2 1 ? 8  
ATOM   2169 N  N   . GLU B 2 154 ? 11.011  -50.121 -25.859 1.000 28.654  0 484 GLU EEE N   1 ? 8  
ATOM   2170 C  CA  . GLU B 2 154 ? 11.047  -49.829 -24.395 1.000 29.997  0 484 GLU EEE CA  1 ? 8  
ATOM   2171 C  C   . GLU B 2 154 ? 10.831  -51.153 -23.633 1.000 30.555  0 484 GLU EEE C   1 ? 8  
ATOM   2172 O  O   . GLU B 2 154 ? 10.105  -52.083 -24.108 1.000 29.993  0 484 GLU EEE O   1 ? 8  
ATOM   2173 C  CB  . GLU B 2 154 ? 10.024  -48.755 -24.005 1.000 29.267  0 484 GLU EEE CB  1 ? 8  
ATOM   2174 C  CG  . GLU B 2 154 ? 10.279  -47.382 -24.625 1.000 29.701  0 484 GLU EEE CG  1 ? 8  
ATOM   2175 C  CD  . GLU B 2 154 ? 9.214   -46.314 -24.375 1.000 30.394  0 484 GLU EEE CD  1 ? 8  
ATOM   2176 O  OE1 . GLU B 2 154 ? 8.587   -46.340 -23.287 1.000 30.082  0 484 GLU EEE OE1 1 ? 8  
ATOM   2177 O  OE2 . GLU B 2 154 ? 9.001   -45.425 -25.268 1.000 27.544  0 484 GLU EEE OE2 1 ? 8  
ATOM   2178 N  N   . GLY B 2 155 ? 11.434  -51.239 -22.467 1.000 30.295  0 485 GLY EEE N   1 ? 8  
ATOM   2179 C  CA  . GLY B 2 155 ? 11.408  -52.436 -21.605 1.000 31.590  0 485 GLY EEE CA  1 ? 8  
ATOM   2180 C  C   . GLY B 2 155 ? 12.438  -52.282 -20.495 1.000 30.368  0 485 GLY EEE C   1 ? 8  
ATOM   2181 O  O   . GLY B 2 155 ? 12.774  -51.129 -20.141 1.000 28.689  0 485 GLY EEE O   1 ? 8  
ATOM   2182 N  N   . PHE B 2 156 ? 12.983  -53.386 -20.006 1.000 34.459  0 486 PHE EEE N   1 ? 8  
ATOM   2183 C  CA  . PHE B 2 156 ? 14.009  -53.367 -18.935 1.000 35.657  0 486 PHE EEE CA  1 ? 8  
ATOM   2184 C  C   . PHE B 2 156 ? 15.166  -52.486 -19.394 1.000 33.395  0 486 PHE EEE C   1 ? 8  
ATOM   2185 O  O   . PHE B 2 156 ? 15.669  -52.744 -20.502 1.000 33.493  0 486 PHE EEE O   1 ? 8  
ATOM   2186 C  CB  . PHE B 2 156 ? 14.554  -54.757 -18.605 1.000 42.584  0 486 PHE EEE CB  1 ? 8  
ATOM   2187 C  CG  . PHE B 2 156 ? 15.470  -54.728 -17.407 1.000 47.455  0 486 PHE EEE CG  1 ? 8  
ATOM   2188 C  CD1 . PHE B 2 156 ? 15.031  -54.205 -16.199 1.000 56.898  0 486 PHE EEE CD1 1 ? 8  
ATOM   2189 C  CD2 . PHE B 2 156 ? 16.785  -55.158 -17.500 1.000 58.678  0 486 PHE EEE CD2 1 ? 8  
ATOM   2190 C  CE1 . PHE B 2 156 ? 15.874  -54.127 -15.097 1.000 63.014  0 486 PHE EEE CE1 1 ? 8  
ATOM   2191 C  CE2 . PHE B 2 156 ? 17.620  -55.108 -16.393 1.000 57.966  0 486 PHE EEE CE2 1 ? 8  
ATOM   2192 C  CZ  . PHE B 2 156 ? 17.168  -54.583 -15.197 1.000 59.744  0 486 PHE EEE CZ  1 ? 8  
ATOM   2193 N  N   . ASN B 2 157 ? 15.519  -51.475 -18.602 1.000 30.157  0 487 ASN EEE N   1 ? 8  
ATOM   2194 C  CA  . ASN B 2 157 ? 16.645  -50.555 -18.861 1.000 33.076  0 487 ASN EEE CA  1 ? 8  
ATOM   2195 C  C   . ASN B 2 157 ? 16.498  -49.844 -20.214 1.000 33.245  0 487 ASN EEE C   1 ? 8  
ATOM   2196 O  O   . ASN B 2 157 ? 17.519  -49.408 -20.740 1.000 33.757  0 487 ASN EEE O   1 ? 8  
ATOM   2197 C  CB  . ASN B 2 157 ? 17.957  -51.323 -18.816 1.000 37.122  0 487 ASN EEE CB  1 ? 8  
ATOM   2198 C  CG  . ASN B 2 157 ? 18.423  -51.518 -17.397 1.000 42.604  0 487 ASN EEE CG  1 ? 8  
ATOM   2199 O  OD1 . ASN B 2 157 ? 18.022  -50.773 -16.501 1.000 46.222  0 487 ASN EEE OD1 1 ? 8  
ATOM   2200 N  ND2 . ASN B 2 157 ? 19.291  -52.485 -17.209 1.000 49.762  0 487 ASN EEE ND2 1 ? 8  
ATOM   2201 N  N   . CYS B 2 158 ? 15.276  -49.667 -20.713 1.000 30.417  0 488 CYS EEE N   1 ? 8  
ATOM   2202 C  CA  . CYS B 2 158 ? 14.986  -48.949 -21.977 1.000 30.314  0 488 CYS EEE CA  1 ? 8  
ATOM   2203 C  C   . CYS B 2 158 ? 13.754  -48.073 -21.762 1.000 28.129  0 488 CYS EEE C   1 ? 8  
ATOM   2204 O  O   . CYS B 2 158 ? 12.640  -48.593 -21.870 1.000 28.868  0 488 CYS EEE O   1 ? 8  
ATOM   2205 C  CB  . CYS B 2 158 ? 14.796  -49.966 -23.097 1.000 31.698  0 488 CYS EEE CB  1 ? 8  
ATOM   2206 S  SG  . CYS B 2 158 ? 16.338  -50.806 -23.549 1.000 35.160  0 488 CYS EEE SG  1 ? 8  
ATOM   2207 N  N   . TYR B 2 159 ? 13.945  -46.797 -21.457 1.000 26.653  0 489 TYR EEE N   1 ? 8  
ATOM   2208 C  CA  . TYR B 2 159 ? 12.868  -45.914 -20.971 1.000 27.421  0 489 TYR EEE CA  1 ? 8  
ATOM   2209 C  C   . TYR B 2 159 ? 12.711  -44.746 -21.931 1.000 27.137  0 489 TYR EEE C   1 ? 8  
ATOM   2210 O  O   . TYR B 2 159 ? 13.674  -44.316 -22.561 1.000 29.068  0 489 TYR EEE O   1 ? 8  
ATOM   2211 C  CB  . TYR B 2 159 ? 13.162  -45.422 -19.552 1.000 28.744  0 489 TYR EEE CB  1 ? 8  
ATOM   2212 C  CG  . TYR B 2 159 ? 13.513  -46.519 -18.592 1.000 32.300  0 489 TYR EEE CG  1 ? 8  
ATOM   2213 C  CD1 . TYR B 2 159 ? 12.637  -47.568 -18.408 1.000 34.769  0 489 TYR EEE CD1 1 ? 8  
ATOM   2214 C  CD2 . TYR B 2 159 ? 14.710  -46.536 -17.895 1.000 34.815  0 489 TYR EEE CD2 1 ? 8  
ATOM   2215 C  CE1 . TYR B 2 159 ? 12.944  -48.616 -17.559 1.000 37.360  0 489 TYR EEE CE1 1 ? 8  
ATOM   2216 C  CE2 . TYR B 2 159 ? 15.031  -47.585 -17.034 1.000 37.648  0 489 TYR EEE CE2 1 ? 8  
ATOM   2217 C  CZ  . TYR B 2 159 ? 14.141  -48.630 -16.870 1.000 38.815  0 489 TYR EEE CZ  1 ? 8  
ATOM   2218 O  OH  . TYR B 2 159 ? 14.383  -49.695 -16.046 1.000 44.232  0 489 TYR EEE OH  1 ? 8  
ATOM   2219 N  N   . PHE B 2 160 ? 11.504  -44.225 -22.023 1.000 25.704  0 490 PHE EEE N   1 ? 8  
ATOM   2220 C  CA  . PHE B 2 160 ? 11.276  -42.953 -22.715 1.000 26.673  0 490 PHE EEE CA  1 ? 8  
ATOM   2221 C  C   . PHE B 2 160 ? 11.859  -41.860 -21.826 1.000 27.013  0 490 PHE EEE C   1 ? 8  
ATOM   2222 O  O   . PHE B 2 160 ? 11.738  -41.896 -20.606 1.000 28.735  0 490 PHE EEE O   1 ? 8  
ATOM   2223 C  CB  . PHE B 2 160 ? 9.804   -42.777 -23.040 1.000 27.033  0 490 PHE EEE CB  1 ? 8  
ATOM   2224 C  CG  . PHE B 2 160 ? 9.570   -41.718 -24.077 1.000 27.563  0 490 PHE EEE CG  1 ? 8  
ATOM   2225 C  CD1 . PHE B 2 160 ? 9.893   -41.945 -25.407 1.000 28.664  0 490 PHE EEE CD1 1 ? 8  
ATOM   2226 C  CD2 . PHE B 2 160 ? 9.046   -40.485 -23.717 1.000 28.801  0 490 PHE EEE CD2 1 ? 8  
ATOM   2227 C  CE1 . PHE B 2 160 ? 9.691   -40.957 -26.358 1.000 29.738  0 490 PHE EEE CE1 1 ? 8  
ATOM   2228 C  CE2 . PHE B 2 160 ? 8.844   -39.500 -24.666 1.000 31.320  0 490 PHE EEE CE2 1 ? 8  
ATOM   2229 C  CZ  . PHE B 2 160 ? 9.138   -39.748 -25.993 1.000 28.740  0 490 PHE EEE CZ  1 ? 8  
ATOM   2230 N  N   . PRO B 2 161 ? 12.574  -40.874 -22.391 1.000 27.186  0 491 PRO EEE N   1 ? 8  
ATOM   2231 C  CA  . PRO B 2 161 ? 13.320  -39.956 -21.538 1.000 28.346  0 491 PRO EEE CA  1 ? 8  
ATOM   2232 C  C   . PRO B 2 161 ? 12.522  -38.799 -20.937 1.000 28.536  0 491 PRO EEE C   1 ? 8  
ATOM   2233 O  O   . PRO B 2 161 ? 13.058  -38.182 -20.026 1.000 29.413  0 491 PRO EEE O   1 ? 8  
ATOM   2234 C  CB  . PRO B 2 161 ? 14.425  -39.487 -22.498 1.000 28.858  0 491 PRO EEE CB  1 ? 8  
ATOM   2235 C  CG  . PRO B 2 161 ? 13.766  -39.490 -23.846 1.000 28.130  0 491 PRO EEE CG  1 ? 8  
ATOM   2236 C  CD  . PRO B 2 161 ? 12.850  -40.699 -23.825 1.000 29.140  0 491 PRO EEE CD  1 ? 8  
ATOM   2237 N  N   . LEU B 2 162 ? 11.308  -38.530 -21.416 1.000 27.708  0 492 LEU EEE N   1 ? 8  
ATOM   2238 C  CA  . LEU B 2 162 ? 10.485  -37.407 -20.898 1.000 28.610  0 492 LEU EEE CA  1 ? 8  
ATOM   2239 C  C   . LEU B 2 162 ? 9.326   -37.916 -20.020 1.000 27.473  0 492 LEU EEE C   1 ? 8  
ATOM   2240 O  O   . LEU B 2 162 ? 8.809   -39.016 -20.255 1.000 27.516  0 492 LEU EEE O   1 ? 8  
ATOM   2241 C  CB  . LEU B 2 162 ? 9.964   -36.592 -22.081 1.000 28.991  0 492 LEU EEE CB  1 ? 8  
ATOM   2242 C  CG  . LEU B 2 162 ? 11.006  -35.973 -23.028 1.000 29.664  0 492 LEU EEE CG  1 ? 8  
ATOM   2243 C  CD1 . LEU B 2 162 ? 10.276  -35.155 -24.095 1.000 32.058  0 492 LEU EEE CD1 1 ? 8  
ATOM   2244 C  CD2 . LEU B 2 162 ? 12.003  -35.098 -22.296 1.000 28.871  0 492 LEU EEE CD2 1 ? 8  
ATOM   2245 N  N   . GLN B 2 163 ? 8.943   -37.117 -19.032 1.000 29.502  0 493 GLN EEE N   1 ? 8  
ATOM   2246 C  CA  . GLN B 2 163 ? 7.898   -37.427 -18.027 1.000 27.318  0 493 GLN EEE CA  1 ? 8  
ATOM   2247 C  C   . GLN B 2 163 ? 7.028   -36.197 -17.842 1.000 28.564  0 493 GLN EEE C   1 ? 8  
ATOM   2248 O  O   . GLN B 2 163 ? 7.599   -35.113 -17.678 1.000 27.023  0 493 GLN EEE O   1 ? 8  
ATOM   2249 C  CB  . GLN B 2 163 ? 8.556   -37.873 -16.724 1.000 29.199  0 493 GLN EEE CB  1 ? 8  
ATOM   2250 C  CG  . GLN B 2 163 ? 7.565   -38.074 -15.597 1.000 28.362  0 493 GLN EEE CG  1 ? 8  
ATOM   2251 C  CD  . GLN B 2 163 ? 6.584   -39.191 -15.876 1.000 30.422  0 493 GLN EEE CD  1 ? 8  
ATOM   2252 O  OE1 . GLN B 2 163 ? 6.951   -40.284 -16.290 1.000 28.502  0 493 GLN EEE OE1 1 ? 8  
ATOM   2253 N  NE2 . GLN B 2 163 ? 5.331   -38.954 -15.538 1.000 31.962  0 493 GLN EEE NE2 1 ? 8  
ATOM   2254 N  N   . SER B 2 164 ? 5.698   -36.355 -17.838 1.000 28.794  0 494 SER EEE N   1 ? 8  
ATOM   2255 C  CA  . SER B 2 164 ? 4.775   -35.245 -17.502 1.000 30.802  0 494 SER EEE CA  1 ? 8  
ATOM   2256 C  C   . SER B 2 164 ? 4.744   -35.091 -15.984 1.000 31.694  0 494 SER EEE C   1 ? 8  
ATOM   2257 O  O   . SER B 2 164 ? 4.752   -36.119 -15.272 1.000 28.499  0 494 SER EEE O   1 ? 8  
ATOM   2258 C  CB  . SER B 2 164 ? 3.380   -35.411 -18.033 1.000 32.538  0 494 SER EEE CB  1 ? 8  
ATOM   2259 O  OG  . SER B 2 164 ? 2.829   -36.662 -17.658 1.000 42.613  0 494 SER EEE OG  1 ? 8  
ATOM   2260 N  N   . TYR B 2 165 ? 4.627   -33.846 -15.539 1.000 30.801  0 495 TYR EEE N   1 ? 8  
ATOM   2261 C  CA  . TYR B 2 165 ? 4.351   -33.477 -14.132 1.000 31.503  0 495 TYR EEE CA  1 ? 8  
ATOM   2262 C  C   . TYR B 2 165 ? 2.901   -33.811 -13.788 1.000 33.175  0 495 TYR EEE C   1 ? 8  
ATOM   2263 O  O   . TYR B 2 165 ? 2.647   -34.305 -12.678 1.000 30.596  0 495 TYR EEE O   1 ? 8  
ATOM   2264 C  CB  . TYR B 2 165 ? 4.650   -31.989 -13.928 1.000 31.520  0 495 TYR EEE CB  1 ? 8  
ATOM   2265 C  CG  . TYR B 2 165 ? 6.108   -31.620 -13.846 1.000 28.693  0 495 TYR EEE CG  1 ? 8  
ATOM   2266 C  CD1 . TYR B 2 165 ? 6.852   -31.914 -12.719 1.000 29.938  0 495 TYR EEE CD1 1 ? 8  
ATOM   2267 C  CD2 . TYR B 2 165 ? 6.746   -30.968 -14.885 1.000 29.367  0 495 TYR EEE CD2 1 ? 8  
ATOM   2268 C  CE1 . TYR B 2 165 ? 8.184   -31.541 -12.611 1.000 29.947  0 495 TYR EEE CE1 1 ? 8  
ATOM   2269 C  CE2 . TYR B 2 165 ? 8.077   -30.595 -14.797 1.000 31.205  0 495 TYR EEE CE2 1 ? 8  
ATOM   2270 C  CZ  . TYR B 2 165 ? 8.805   -30.869 -13.653 1.000 31.356  0 495 TYR EEE CZ  1 ? 8  
ATOM   2271 O  OH  . TYR B 2 165 ? 10.129  -30.508 -13.557 1.000 31.751  0 495 TYR EEE OH  1 ? 8  
ATOM   2272 N  N   . GLY B 2 166 ? 1.950   -33.439 -14.649 1.000 32.433  0 496 GLY EEE N   1 ? 8  
ATOM   2273 C  CA  . GLY B 2 166 ? 0.511   -33.610 -14.343 1.000 36.471  0 496 GLY EEE CA  1 ? 8  
ATOM   2274 C  C   . GLY B 2 166 ? 0.026   -32.835 -13.106 1.000 39.505  0 496 GLY EEE C   1 ? 8  
ATOM   2275 O  O   . GLY B 2 166 ? -0.809  -33.349 -12.344 1.000 44.020  0 496 GLY EEE O   1 ? 8  
ATOM   2276 N  N   . PHE B 2 167 ? 0.415   -31.576 -12.973 1.000 35.159  0 497 PHE EEE N   1 ? 8  
ATOM   2277 C  CA  . PHE B 2 167 ? 0.024   -30.662 -11.874 1.000 31.569  0 497 PHE EEE CA  1 ? 8  
ATOM   2278 C  C   . PHE B 2 167 ? -1.490  -30.642 -11.647 1.000 34.157  0 497 PHE EEE C   1 ? 8  
ATOM   2279 O  O   . PHE B 2 167 ? -2.263  -30.340 -12.580 1.000 32.653  0 497 PHE EEE O   1 ? 8  
ATOM   2280 C  CB  . PHE B 2 167 ? 0.515   -29.264 -12.217 1.000 30.165  0 497 PHE EEE CB  1 ? 8  
ATOM   2281 C  CG  . PHE B 2 167 ? 2.007   -29.156 -12.385 1.000 29.037  0 497 PHE EEE CG  1 ? 8  
ATOM   2282 C  CD1 . PHE B 2 167 ? 2.849   -29.397 -11.311 1.000 30.700  0 497 PHE EEE CD1 1 ? 8  
ATOM   2283 C  CD2 . PHE B 2 167 ? 2.565   -28.743 -13.582 1.000 28.797  0 497 PHE EEE CD2 1 ? 8  
ATOM   2284 C  CE1 . PHE B 2 167 ? 4.216   -29.223 -11.427 1.000 28.805  0 497 PHE EEE CE1 1 ? 8  
ATOM   2285 C  CE2 . PHE B 2 167 ? 3.934   -28.610 -13.707 1.000 28.900  0 497 PHE EEE CE2 1 ? 8  
ATOM   2286 C  CZ  . PHE B 2 167 ? 4.757   -28.863 -12.628 1.000 28.637  0 497 PHE EEE CZ  1 ? 8  
ATOM   2287 N  N   . GLN B 2 168 ? -1.907  -30.966 -10.419 1.000 36.937  0 498 GLN EEE N   1 ? 8  
ATOM   2288 C  CA  . GLN B 2 168 ? -3.302  -30.806 -9.939  1.000 38.986  0 498 GLN EEE CA  1 ? 8  
ATOM   2289 C  C   . GLN B 2 168 ? -3.287  -29.845 -8.762  1.000 41.350  0 498 GLN EEE C   1 ? 8  
ATOM   2290 O  O   . GLN B 2 168 ? -2.277  -29.754 -8.061  1.000 35.609  0 498 GLN EEE O   1 ? 8  
ATOM   2291 C  CB  . GLN B 2 168 ? -3.922  -32.131 -9.512  1.000 43.770  0 498 GLN EEE CB  1 ? 8  
ATOM   2292 C  CG  . GLN B 2 168 ? -3.857  -33.194 -10.589 1.000 47.131  0 498 GLN EEE CG  1 ? 8  
ATOM   2293 C  CD  . GLN B 2 168 ? -4.423  -34.483 -10.058 1.000 53.641  0 498 GLN EEE CD  1 ? 8  
ATOM   2294 O  OE1 . GLN B 2 168 ? -3.693  -35.398 -9.686  1.000 56.749  0 498 GLN EEE OE1 1 ? 8  
ATOM   2295 N  NE2 . GLN B 2 168 ? -5.739  -34.536 -9.966  1.000 55.617  0 498 GLN EEE NE2 1 ? 8  
ATOM   2296 N  N   . PRO B 2 169 ? -4.374  -29.063 -8.590  1.000 40.337  0 499 PRO EEE N   1 ? 8  
ATOM   2297 C  CA  . PRO B 2 169 ? -4.387  -27.945 -7.652  1.000 44.232  0 499 PRO EEE CA  1 ? 8  
ATOM   2298 C  C   . PRO B 2 169 ? -4.195  -28.406 -6.201  1.000 42.125  0 499 PRO EEE C   1 ? 8  
ATOM   2299 O  O   . PRO B 2 169 ? -3.661  -27.620 -5.412  1.000 42.729  0 499 PRO EEE O   1 ? 8  
ATOM   2300 C  CB  . PRO B 2 169 ? -5.762  -27.268 -7.817  1.000 46.375  0 499 PRO EEE CB  1 ? 8  
ATOM   2301 C  CG  . PRO B 2 169 ? -6.395  -27.896 -9.032  1.000 45.531  0 499 PRO EEE CG  1 ? 8  
ATOM   2302 C  CD  . PRO B 2 169 ? -5.606  -29.146 -9.383  1.000 44.179  0 499 PRO EEE CD  1 ? 8  
ATOM   2303 N  N   . THR B 2 170 ? -4.588  -29.646 -5.909  1.000 38.754  0 500 THR EEE N   1 ? 8  
ATOM   2304 C  CA  . THR B 2 170 ? -4.539  -30.262 -4.556  1.000 41.965  0 500 THR EEE CA  1 ? 8  
ATOM   2305 C  C   . THR B 2 170 ? -3.133  -30.787 -4.243  1.000 38.873  0 500 THR EEE C   1 ? 8  
ATOM   2306 O  O   . THR B 2 170 ? -2.936  -31.208 -3.133  1.000 40.232  0 500 THR EEE O   1 ? 8  
ATOM   2307 C  CB  . THR B 2 170 ? -5.554  -31.408 -4.411  1.000 43.844  0 500 THR EEE CB  1 ? 8  
ATOM   2308 O  OG1 . THR B 2 170 ? -5.305  -32.311 -5.488  1.000 47.276  0 500 THR EEE OG1 1 ? 8  
ATOM   2309 C  CG2 . THR B 2 170 ? -6.991  -30.935 -4.386  1.000 44.398  0 500 THR EEE CG2 1 ? 8  
ATOM   2310 N  N   . ASN B 2 171 ? -2.182  -30.757 -5.168  1.000 36.713  0 501 ASN EEE N   1 ? 8  
ATOM   2311 C  CA  . ASN B 2 171 ? -0.798  -31.243 -4.893  1.000 37.711  0 501 ASN EEE CA  1 ? 8  
ATOM   2312 C  C   . ASN B 2 171 ? -0.260  -30.519 -3.644  1.000 38.158  0 501 ASN EEE C   1 ? 8  
ATOM   2313 O  O   . ASN B 2 171 ? -0.643  -29.347 -3.435  1.000 36.343  0 501 ASN EEE O   1 ? 8  
ATOM   2314 C  CB  . ASN B 2 171 ? 0.151   -30.998 -6.067  1.000 34.507  0 501 ASN EEE CB  1 ? 8  
ATOM   2315 C  CG  . ASN B 2 171 ? -0.073  -31.915 -7.256  1.000 34.750  0 501 ASN EEE CG  1 ? 8  
ATOM   2316 O  OD1 . ASN B 2 171 ? -0.849  -32.876 -7.193  1.000 34.473  0 501 ASN EEE OD1 1 ? 8  
ATOM   2317 N  ND2 . ASN B 2 171 ? 0.624   -31.633 -8.343  1.000 33.050  0 501 ASN EEE ND2 1 ? 8  
ATOM   2318 N  N   . GLY B 2 172 ? 0.628   -31.164 -2.882  1.000 36.890  0 502 GLY EEE N   1 ? 8  
ATOM   2319 C  CA  . GLY B 2 172 ? 1.439   -30.495 -1.847  1.000 38.251  0 502 GLY EEE CA  1 ? 8  
ATOM   2320 C  C   . GLY B 2 172 ? 2.370   -29.493 -2.497  1.000 38.309  0 502 GLY EEE C   1 ? 8  
ATOM   2321 O  O   . GLY B 2 172 ? 2.602   -29.610 -3.720  1.000 34.132  0 502 GLY EEE O   1 ? 8  
ATOM   2322 N  N   . VAL B 2 173 ? 2.879   -28.504 -1.755  1.000 36.353  0 503 VAL EEE N   1 ? 8  
ATOM   2323 C  CA  . VAL B 2 173 ? 3.577   -27.340 -2.382  1.000 38.134  0 503 VAL EEE CA  1 ? 8  
ATOM   2324 C  C   . VAL B 2 173 ? 4.869   -27.806 -3.109  1.000 37.435  0 503 VAL EEE C   1 ? 8  
ATOM   2325 O  O   . VAL B 2 173 ? 5.206   -27.211 -4.161  1.000 35.425  0 503 VAL EEE O   1 ? 8  
ATOM   2326 C  CB  . VAL B 2 173 ? 3.816   -26.211 -1.358  1.000 42.489  0 503 VAL EEE CB  1 ? 8  
ATOM   2327 C  CG1 . VAL B 2 173 ? 4.653   -26.660 -0.167  1.000 43.871  0 503 VAL EEE CG1 1 ? 8  
ATOM   2328 C  CG2 . VAL B 2 173 ? 4.433   -24.999 -2.025  1.000 42.497  0 503 VAL EEE CG2 1 ? 8  
ATOM   2329 N  N   . GLY B 2 174 ? 5.539   -28.867 -2.631  1.000 34.004  0 504 GLY EEE N   1 ? 8  
ATOM   2330 C  CA  . GLY B 2 174 ? 6.728   -29.455 -3.286  1.000 33.741  0 504 GLY EEE CA  1 ? 8  
ATOM   2331 C  C   . GLY B 2 174 ? 6.410   -29.983 -4.675  1.000 31.175  0 504 GLY EEE C   1 ? 8  
ATOM   2332 O  O   . GLY B 2 174 ? 7.343   -30.106 -5.525  1.000 32.020  0 504 GLY EEE O   1 ? 8  
ATOM   2333 N  N   . TYR B 2 175 ? 5.142   -30.307 -4.948  1.000 32.426  0 505 TYR EEE N   1 ? 8  
ATOM   2334 C  CA  . TYR B 2 175 ? 4.709   -30.883 -6.247  1.000 31.356  0 505 TYR EEE CA  1 ? 8  
ATOM   2335 C  C   . TYR B 2 175 ? 3.852   -29.880 -7.026  1.000 30.806  0 505 TYR EEE C   1 ? 8  
ATOM   2336 O  O   . TYR B 2 175 ? 3.345   -30.261 -8.095  1.000 31.029  0 505 TYR EEE O   1 ? 8  
ATOM   2337 C  CB  . TYR B 2 175 ? 3.974   -32.211 -6.023  1.000 33.784  0 505 TYR EEE CB  1 ? 8  
ATOM   2338 C  CG  . TYR B 2 175 ? 4.897   -33.327 -5.628  1.000 33.893  0 505 TYR EEE CG  1 ? 8  
ATOM   2339 C  CD1 . TYR B 2 175 ? 5.529   -34.084 -6.594  1.000 32.929  0 505 TYR EEE CD1 1 ? 8  
ATOM   2340 C  CD2 . TYR B 2 175 ? 5.135   -33.631 -4.289  1.000 36.941  0 505 TYR EEE CD2 1 ? 8  
ATOM   2341 C  CE1 . TYR B 2 175 ? 6.420   -35.085 -6.256  1.000 35.897  0 505 TYR EEE CE1 1 ? 8  
ATOM   2342 C  CE2 . TYR B 2 175 ? 5.988   -34.666 -3.931  1.000 38.458  0 505 TYR EEE CE2 1 ? 8  
ATOM   2343 C  CZ  . TYR B 2 175 ? 6.646   -35.387 -4.917  1.000 38.835  0 505 TYR EEE CZ  1 ? 8  
ATOM   2344 O  OH  . TYR B 2 175 ? 7.499   -36.423 -4.620  1.000 38.267  0 505 TYR EEE OH  1 ? 8  
ATOM   2345 N  N   . GLN B 2 176 ? 3.688   -28.654 -6.532  1.000 31.179  0 506 GLN EEE N   1 ? 8  
ATOM   2346 C  CA  . GLN B 2 176 ? 2.950   -27.586 -7.261  1.000 31.497  0 506 GLN EEE CA  1 ? 8  
ATOM   2347 C  C   . GLN B 2 176 ? 3.887   -26.943 -8.275  1.000 30.829  0 506 GLN EEE C   1 ? 8  
ATOM   2348 O  O   . GLN B 2 176 ? 5.103   -26.981 -8.108  1.000 30.900  0 506 GLN EEE O   1 ? 8  
ATOM   2349 C  CB  . GLN B 2 176 ? 2.403   -26.527 -6.319  1.000 32.523  0 506 GLN EEE CB  1 ? 8  
ATOM   2350 C  CG  . GLN B 2 176 ? 1.175   -26.978 -5.574  1.000 33.852  0 506 GLN EEE CG  1 ? 8  
ATOM   2351 C  CD  . GLN B 2 176 ? 0.759   -25.964 -4.546  1.000 35.854  0 506 GLN EEE CD  1 ? 8  
ATOM   2352 O  OE1 . GLN B 2 176 ? 0.944   -24.760 -4.724  1.000 34.481  0 506 GLN EEE OE1 1 ? 8  
ATOM   2353 N  NE2 . GLN B 2 176 ? 0.157   -26.449 -3.469  1.000 37.341  0 506 GLN EEE NE2 1 ? 8  
ATOM   2354 N  N   . PRO B 2 177 ? 3.355   -26.382 -9.386  1.000 30.760  0 507 PRO EEE N   1 ? 8  
ATOM   2355 C  CA  . PRO B 2 177 ? 4.198   -25.745 -10.396 1.000 29.800  0 507 PRO EEE CA  1 ? 8  
ATOM   2356 C  C   . PRO B 2 177 ? 4.756   -24.410 -9.896  1.000 29.131  0 507 PRO EEE C   1 ? 8  
ATOM   2357 O  O   . PRO B 2 177 ? 4.093   -23.702 -9.205  1.000 29.613  0 507 PRO EEE O   1 ? 8  
ATOM   2358 C  CB  . PRO B 2 177 ? 3.285   -25.553 -11.615 1.000 29.702  0 507 PRO EEE CB  1 ? 8  
ATOM   2359 C  CG  . PRO B 2 177 ? 1.897   -25.539 -11.028 1.000 31.623  0 507 PRO EEE CG  1 ? 8  
ATOM   2360 C  CD  . PRO B 2 177 ? 1.941   -26.393 -9.768  1.000 30.648  0 507 PRO EEE CD  1 ? 8  
ATOM   2361 N  N   . TYR B 2 178 ? 6.013   -24.172 -10.228 1.000 28.683  0 508 TYR EEE N   1 ? 8  
ATOM   2362 C  CA  . TYR B 2 178 ? 6.711   -22.884 -10.063 1.000 30.047  0 508 TYR EEE CA  1 ? 8  
ATOM   2363 C  C   . TYR B 2 178 ? 7.187   -22.435 -11.445 1.000 29.486  0 508 TYR EEE C   1 ? 8  
ATOM   2364 O  O   . TYR B 2 178 ? 7.760   -23.241 -12.193 1.000 29.275  0 508 TYR EEE O   1 ? 8  
ATOM   2365 C  CB  . TYR B 2 178 ? 7.840   -23.018 -9.036  1.000 30.044  0 508 TYR EEE CB  1 ? 8  
ATOM   2366 C  CG  . TYR B 2 178 ? 7.331   -22.900 -7.623  1.000 31.905  0 508 TYR EEE CG  1 ? 8  
ATOM   2367 C  CD1 . TYR B 2 178 ? 6.495   -23.870 -7.093  1.000 31.735  0 508 TYR EEE CD1 1 ? 8  
ATOM   2368 C  CD2 . TYR B 2 178 ? 7.649   -21.822 -6.822  1.000 33.327  0 508 TYR EEE CD2 1 ? 8  
ATOM   2369 C  CE1 . TYR B 2 178 ? 6.006   -23.783 -5.798  1.000 32.225  0 508 TYR EEE CE1 1 ? 8  
ATOM   2370 C  CE2 . TYR B 2 178 ? 7.178   -21.724 -5.514  1.000 35.138  0 508 TYR EEE CE2 1 ? 8  
ATOM   2371 C  CZ  . TYR B 2 178 ? 6.325   -22.692 -5.018  1.000 34.692  0 508 TYR EEE CZ  1 ? 8  
ATOM   2372 O  OH  . TYR B 2 178 ? 5.810   -22.582 -3.759  1.000 37.361  0 508 TYR EEE OH  1 ? 8  
ATOM   2373 N  N   . ARG B 2 179 ? 6.903   -21.177 -11.758 1.000 30.518  0 509 ARG EEE N   1 ? 8  
ATOM   2374 C  CA  . ARG B 2 179 ? 7.486   -20.446 -12.906 1.000 30.613  0 509 ARG EEE CA  1 ? 8  
ATOM   2375 C  C   . ARG B 2 179 ? 8.839   -19.908 -12.482 1.000 30.760  0 509 ARG EEE C   1 ? 8  
ATOM   2376 O  O   . ARG B 2 179 ? 8.996   -19.461 -11.319 1.000 30.983  0 509 ARG EEE O   1 ? 8  
ATOM   2377 C  CB  . ARG B 2 179 ? 6.547   -19.351 -13.394 1.000 30.331  0 509 ARG EEE CB  1 ? 8  
ATOM   2378 C  CG  . ARG B 2 179 ? 5.435   -19.944 -14.231 1.000 30.422  0 509 ARG EEE CG  1 ? 8  
ATOM   2379 C  CD  . ARG B 2 179 ? 4.346   -18.954 -14.571 1.000 33.078  0 509 ARG EEE CD  1 ? 8  
ATOM   2380 N  NE  . ARG B 2 179 ? 3.323   -19.671 -15.311 1.000 34.146  0 509 ARG EEE NE  1 ? 8  
ATOM   2381 C  CZ  . ARG B 2 179 ? 2.506   -19.131 -16.213 1.000 35.653  0 509 ARG EEE CZ  1 ? 8  
ATOM   2382 N  NH1 . ARG B 2 179 ? 2.557   -17.843 -16.466 1.000 35.179  0 509 ARG EEE NH1 1 ? 8  
ATOM   2383 N  NH2 . ARG B 2 179 ? 1.635   -19.896 -16.852 1.000 36.197  0 509 ARG EEE NH2 1 ? 8  
ATOM   2384 N  N   . VAL B 2 180 ? 9.805   -20.063 -13.369 1.000 28.562  0 510 VAL EEE N   1 ? 8  
ATOM   2385 C  CA  . VAL B 2 180 ? 11.206  -19.671 -13.095 1.000 29.824  0 510 VAL EEE CA  1 ? 8  
ATOM   2386 C  C   . VAL B 2 180 ? 11.664  -18.767 -14.232 1.000 31.064  0 510 VAL EEE C   1 ? 8  
ATOM   2387 O  O   . VAL B 2 180 ? 11.391  -19.105 -15.409 1.000 29.800  0 510 VAL EEE O   1 ? 8  
ATOM   2388 C  CB  . VAL B 2 180 ? 12.108  -20.904 -12.952 1.000 29.547  0 510 VAL EEE CB  1 ? 8  
ATOM   2389 C  CG1 . VAL B 2 180 ? 13.556  -20.495 -12.794 1.000 31.051  0 510 VAL EEE CG1 1 ? 8  
ATOM   2390 C  CG2 . VAL B 2 180 ? 11.670  -21.825 -11.824 1.000 31.173  0 510 VAL EEE CG2 1 ? 8  
ATOM   2391 N  N   . VAL B 2 181 ? 12.365  -17.694 -13.875 1.000 29.580  0 511 VAL EEE N   1 ? 8  
ATOM   2392 C  CA  . VAL B 2 181 ? 13.065  -16.808 -14.842 1.000 29.152  0 511 VAL EEE CA  1 ? 8  
ATOM   2393 C  C   . VAL B 2 181 ? 14.511  -16.673 -14.373 1.000 29.113  0 511 VAL EEE C   1 ? 8  
ATOM   2394 O  O   . VAL B 2 181 ? 14.730  -16.328 -13.183 1.000 30.680  0 511 VAL EEE O   1 ? 8  
ATOM   2395 C  CB  . VAL B 2 181 ? 12.369  -15.436 -14.958 1.000 30.575  0 511 VAL EEE CB  1 ? 8  
ATOM   2396 C  CG1 . VAL B 2 181 ? 13.205  -14.468 -15.790 1.000 31.030  0 511 VAL EEE CG1 1 ? 8  
ATOM   2397 C  CG2 . VAL B 2 181 ? 10.965  -15.562 -15.528 1.000 29.078  0 511 VAL EEE CG2 1 ? 8  
ATOM   2398 N  N   . VAL B 2 182 ? 15.460  -16.992 -15.242 1.000 27.449  0 512 VAL EEE N   1 ? 8  
ATOM   2399 C  CA  . VAL B 2 182 ? 16.904  -16.823 -14.979 1.000 28.991  0 512 VAL EEE CA  1 ? 8  
ATOM   2400 C  C   . VAL B 2 182 ? 17.406  -15.666 -15.846 1.000 32.546  0 512 VAL EEE C   1 ? 8  
ATOM   2401 O  O   . VAL B 2 182 ? 17.199  -15.735 -17.084 1.000 30.373  0 512 VAL EEE O   1 ? 8  
ATOM   2402 C  CB  . VAL B 2 182 ? 17.671  -18.119 -15.273 1.000 31.357  0 512 VAL EEE CB  1 ? 8  
ATOM   2403 C  CG1 . VAL B 2 182 ? 19.168  -17.939 -15.045 1.000 32.621  0 512 VAL EEE CG1 1 ? 8  
ATOM   2404 C  CG2 . VAL B 2 182 ? 17.126  -19.285 -14.459 1.000 33.420  0 512 VAL EEE CG2 1 ? 8  
ATOM   2405 N  N   . LEU B 2 183 ? 17.998  -14.638 -15.231 1.000 31.157  0 513 LEU EEE N   1 ? 8  
ATOM   2406 C  CA  . LEU B 2 183 ? 18.564  -13.493 -15.970 1.000 31.636  0 513 LEU EEE CA  1 ? 8  
ATOM   2407 C  C   . LEU B 2 183 ? 20.057  -13.752 -16.082 1.000 32.950  0 513 LEU EEE C   1 ? 8  
ATOM   2408 O  O   . LEU B 2 183 ? 20.678  -14.063 -15.039 1.000 34.048  0 513 LEU EEE O   1 ? 8  
ATOM   2409 C  CB  . LEU B 2 183 ? 18.285  -12.190 -15.234 1.000 32.668  0 513 LEU EEE CB  1 ? 8  
ATOM   2410 C  CG  . LEU B 2 183 ? 16.810  -11.875 -14.991 1.000 35.274  0 513 LEU EEE CG  1 ? 8  
ATOM   2411 C  CD1 . LEU B 2 183 ? 16.672  -10.544 -14.275 1.000 35.529  0 513 LEU EEE CD1 1 ? 8  
ATOM   2412 C  CD2 . LEU B 2 183 ? 16.021  -11.878 -16.295 1.000 36.295  0 513 LEU EEE CD2 1 ? 8  
ATOM   2413 N  N   . SER B 2 184 ? 20.588  -13.668 -17.296 1.000 32.091  0 514 SER EEE N   1 ? 8  
ATOM   2414 C  CA  . SER B 2 184 ? 22.045  -13.687 -17.562 1.000 34.376  0 514 SER EEE CA  1 ? 8  
ATOM   2415 C  C   . SER B 2 184 ? 22.411  -12.475 -18.437 1.000 32.739  0 514 SER EEE C   1 ? 8  
ATOM   2416 O  O   . SER B 2 184 ? 21.509  -11.782 -18.935 1.000 31.834  0 514 SER EEE O   1 ? 8  
ATOM   2417 C  CB  . SER B 2 184 ? 22.472  -14.997 -18.142 1.000 31.806  0 514 SER EEE CB  1 ? 8  
ATOM   2418 O  OG  . SER B 2 184 ? 21.769  -15.239 -19.326 1.000 34.515  0 514 SER EEE OG  1 ? 8  
ATOM   2419 N  N   . PHE B 2 185 ? 23.694  -12.159 -18.495 1.000 31.982  0 515 PHE EEE N   1 ? 8  
ATOM   2420 C  CA  . PHE B 2 185 ? 24.195  -10.826 -18.894 1.000 36.913  0 515 PHE EEE CA  1 ? 8  
ATOM   2421 C  C   . PHE B 2 185 ? 25.313  -11.031 -19.915 1.000 38.819  0 515 PHE EEE C   1 ? 8  
ATOM   2422 O  O   . PHE B 2 185 ? 26.174  -11.923 -19.749 1.000 41.367  0 515 PHE EEE O   1 ? 8  
ATOM   2423 C  CB  . PHE B 2 185 ? 24.612  -10.004 -17.666 1.000 36.743  0 515 PHE EEE CB  1 ? 8  
ATOM   2424 C  CG  . PHE B 2 185 ? 23.451  -9.786  -16.731 1.000 37.275  0 515 PHE EEE CG  1 ? 8  
ATOM   2425 C  CD1 . PHE B 2 185 ? 22.557  -8.757  -16.942 1.000 37.875  0 515 PHE EEE CD1 1 ? 8  
ATOM   2426 C  CD2 . PHE B 2 185 ? 23.185  -10.676 -15.711 1.000 37.979  0 515 PHE EEE CD2 1 ? 8  
ATOM   2427 C  CE1 . PHE B 2 185 ? 21.450  -8.590  -16.130 1.000 36.949  0 515 PHE EEE CE1 1 ? 8  
ATOM   2428 C  CE2 . PHE B 2 185 ? 22.071  -10.516 -14.901 1.000 38.954  0 515 PHE EEE CE2 1 ? 8  
ATOM   2429 C  CZ  . PHE B 2 185 ? 21.196  -9.481  -15.118 1.000 38.767  0 515 PHE EEE CZ  1 ? 8  
ATOM   2430 N  N   . GLU B 2 186 ? 25.284  -10.237 -20.975 1.000 36.897  0 516 GLU EEE N   1 ? 8  
ATOM   2431 C  CA  . GLU B 2 186 ? 26.283  -10.383 -22.056 1.000 35.423  0 516 GLU EEE CA  1 ? 8  
ATOM   2432 C  C   . GLU B 2 186 ? 26.875  -9.011  -22.391 1.000 34.996  0 516 GLU EEE C   1 ? 8  
ATOM   2433 O  O   . GLU B 2 186 ? 26.145  -8.029  -22.566 1.000 35.103  0 516 GLU EEE O   1 ? 8  
ATOM   2434 C  CB  . GLU B 2 186 ? 25.635  -11.083 -23.250 1.000 34.222  0 516 GLU EEE CB  1 ? 8  
ATOM   2435 C  CG  . GLU B 2 186 ? 26.578  -11.237 -24.428 1.000 36.944  0 516 GLU EEE CG  1 ? 8  
ATOM   2436 C  CD  . GLU B 2 186 ? 25.947  -12.008 -25.573 1.000 35.589  0 516 GLU EEE CD  1 ? 8  
ATOM   2437 O  OE1 . GLU B 2 186 ? 25.118  -11.419 -26.296 1.000 37.009  0 516 GLU EEE OE1 1 ? 8  
ATOM   2438 O  OE2 . GLU B 2 186 ? 26.264  -13.188 -25.707 1.000 35.587  0 516 GLU EEE OE2 1 ? 8  
ATOM   2439 N  N   . LEU B 2 187 ? 28.189  -8.973  -22.457 1.000 35.016  0 517 LEU EEE N   1 ? 8  
ATOM   2440 C  CA  . LEU B 2 187 ? 28.977  -7.788  -22.815 1.000 39.245  0 517 LEU EEE CA  1 ? 8  
ATOM   2441 C  C   . LEU B 2 187 ? 29.765  -8.129  -24.095 1.000 39.192  0 517 LEU EEE C   1 ? 8  
ATOM   2442 O  O   . LEU B 2 187 ? 30.621  -9.057  -24.065 1.000 39.488  0 517 LEU EEE O   1 ? 8  
ATOM   2443 C  CB  . LEU B 2 187 ? 29.842  -7.460  -21.589 1.000 46.263  0 517 LEU EEE CB  1 ? 8  
ATOM   2444 C  CG  . LEU B 2 187 ? 30.219  -5.996  -21.363 1.000 56.042  0 517 LEU EEE CG  1 ? 8  
ATOM   2445 C  CD1 . LEU B 2 187 ? 29.201  -5.009  -21.948 1.000 57.250  0 517 LEU EEE CD1 1 ? 8  
ATOM   2446 C  CD2 . LEU B 2 187 ? 30.422  -5.742  -19.879 1.000 59.667  0 517 LEU EEE CD2 1 ? 8  
ATOM   2447 N  N   . LEU B 2 188 ? 29.432  -7.454  -25.197 1.000 34.837  0 518 LEU EEE N   1 ? 8  
ATOM   2448 C  CA  . LEU B 2 188 ? 30.134  -7.594  -26.502 1.000 36.248  0 518 LEU EEE CA  1 ? 8  
ATOM   2449 C  C   . LEU B 2 188 ? 30.804  -6.268  -26.838 1.000 35.709  0 518 LEU EEE C   1 ? 8  
ATOM   2450 O  O   . LEU B 2 188 ? 30.446  -5.252  -26.223 1.000 35.344  0 518 LEU EEE O   1 ? 8  
ATOM   2451 C  CB  . LEU B 2 188 ? 29.137  -7.905  -27.620 1.000 35.644  0 518 LEU EEE CB  1 ? 8  
ATOM   2452 C  CG  . LEU B 2 188 ? 28.259  -9.139  -27.457 1.000 36.302  0 518 LEU EEE CG  1 ? 8  
ATOM   2453 C  CD1 . LEU B 2 188 ? 27.295  -9.243  -28.636 1.000 37.269  0 518 LEU EEE CD1 1 ? 8  
ATOM   2454 C  CD2 . LEU B 2 188 ? 29.119  -10.393 -27.364 1.000 37.830  0 518 LEU EEE CD2 1 ? 8  
ATOM   2455 N  N   . HIS B 2 189 ? 31.662  -6.275  -27.849 1.000 34.897  0 519 HIS EEE N   1 ? 8  
ATOM   2456 C  CA  . HIS B 2 189 ? 32.214  -5.056  -28.476 1.000 37.238  0 519 HIS EEE CA  1 ? 8  
ATOM   2457 C  C   . HIS B 2 189 ? 31.151  -4.452  -29.409 1.000 39.890  0 519 HIS EEE C   1 ? 8  
ATOM   2458 O  O   . HIS B 2 189 ? 31.316  -4.554  -30.643 1.000 43.715  0 519 HIS EEE O   1 ? 8  
ATOM   2459 C  CB  . HIS B 2 189 ? 33.509  -5.396  -29.213 1.000 35.939  0 519 HIS EEE CB  1 ? 8  
ATOM   2460 C  CG  . HIS B 2 189 ? 34.284  -4.198  -29.610 1.000 36.405  0 519 HIS EEE CG  1 ? 8  
ATOM   2461 N  ND1 . HIS B 2 189 ? 33.946  -3.454  -30.742 1.000 36.267  0 519 HIS EEE ND1 1 ? 8  
ATOM   2462 C  CD2 . HIS B 2 189 ? 35.397  -3.639  -29.074 1.000 36.387  0 519 HIS EEE CD2 1 ? 8  
ATOM   2463 C  CE1 . HIS B 2 189 ? 34.818  -2.465  -30.865 1.000 37.354  0 519 HIS EEE CE1 1 ? 8  
ATOM   2464 N  NE2 . HIS B 2 189 ? 35.736  -2.564  -29.855 1.000 37.405  0 519 HIS EEE NE2 1 ? 8  
ATOM   2465 N  N   . ALA B 2 190 ? 30.105  -3.872  -28.830 1.000 40.946  0 520 ALA EEE N   1 ? 8  
ATOM   2466 C  CA  . ALA B 2 190 ? 28.900  -3.311  -29.487 1.000 43.445  0 520 ALA EEE CA  1 ? 8  
ATOM   2467 C  C   . ALA B 2 190 ? 28.301  -2.318  -28.493 1.000 47.528  0 520 ALA EEE C   1 ? 8  
ATOM   2468 O  O   . ALA B 2 190 ? 28.632  -2.400  -27.322 1.000 46.529  0 520 ALA EEE O   1 ? 8  
ATOM   2469 C  CB  . ALA B 2 190 ? 27.945  -4.434  -29.806 1.000 41.604  0 520 ALA EEE CB  1 ? 8  
ATOM   2470 N  N   . PRO B 2 191 ? 27.444  -1.342  -28.872 1.000 56.014  0 521 PRO EEE N   1 ? 8  
ATOM   2471 C  CA  . PRO B 2 191 ? 26.751  -0.509  -27.873 1.000 57.988  0 521 PRO EEE CA  1 ? 8  
ATOM   2472 C  C   . PRO B 2 191 ? 26.068  -1.262  -26.712 1.000 55.472  0 521 PRO EEE C   1 ? 8  
ATOM   2473 O  O   . PRO B 2 191 ? 25.301  -2.189  -26.907 1.000 51.338  0 521 PRO EEE O   1 ? 8  
ATOM   2474 C  CB  . PRO B 2 191 ? 25.752  0.249   -28.757 1.000 61.997  0 521 PRO EEE CB  1 ? 8  
ATOM   2475 C  CG  . PRO B 2 191 ? 26.541  0.455   -30.050 1.000 62.125  0 521 PRO EEE CG  1 ? 8  
ATOM   2476 C  CD  . PRO B 2 191 ? 27.185  -0.903  -30.255 1.000 60.200  0 521 PRO EEE CD  1 ? 8  
ATOM   2477 N  N   . ALA B 2 192 ? 26.406  -0.874  -25.482 1.000 59.361  0 522 ALA EEE N   1 ? 8  
ATOM   2478 C  CA  . ALA B 2 192 ? 25.853  -1.460  -24.240 1.000 57.563  0 522 ALA EEE CA  1 ? 8  
ATOM   2479 C  C   . ALA B 2 192 ? 24.544  -0.748  -23.913 1.000 58.643  0 522 ALA EEE C   1 ? 8  
ATOM   2480 O  O   . ALA B 2 192 ? 24.572  0.241   -23.162 1.000 62.349  0 522 ALA EEE O   1 ? 8  
ATOM   2481 C  CB  . ALA B 2 192 ? 26.844  -1.357  -23.105 1.000 57.046  0 522 ALA EEE CB  1 ? 8  
ATOM   2482 N  N   . THR B 2 193 ? 23.441  -1.270  -24.437 1.000 51.795  0 523 THR EEE N   1 ? 8  
ATOM   2483 C  CA  . THR B 2 193 ? 22.140  -0.568  -24.518 1.000 56.474  0 523 THR EEE CA  1 ? 8  
ATOM   2484 C  C   . THR B 2 193 ? 21.132  -1.069  -23.469 1.000 48.477  0 523 THR EEE C   1 ? 8  
ATOM   2485 O  O   . THR B 2 193 ? 20.012  -0.559  -23.515 1.000 49.680  0 523 THR EEE O   1 ? 8  
ATOM   2486 C  CB  . THR B 2 193 ? 21.552  -0.731  -25.926 1.000 57.974  0 523 THR EEE CB  1 ? 8  
ATOM   2487 O  OG1 . THR B 2 193 ? 21.203  -2.110  -26.083 1.000 65.220  0 523 THR EEE OG1 1 ? 8  
ATOM   2488 C  CG2 . THR B 2 193 ? 22.503  -0.284  -27.017 1.000 64.974  0 523 THR EEE CG2 1 ? 8  
ATOM   2489 N  N   . VAL B 2 194 ? 21.452  -2.058  -22.626 1.000 45.105  0 524 VAL EEE N   1 ? 8  
ATOM   2490 C  CA  . VAL B 2 194 ? 20.580  -2.438  -21.466 1.000 44.968  0 524 VAL EEE CA  1 ? 8  
ATOM   2491 C  C   . VAL B 2 194 ? 21.213  -1.942  -20.174 1.000 44.962  0 524 VAL EEE C   1 ? 8  
ATOM   2492 O  O   . VAL B 2 194 ? 22.168  -2.599  -19.717 1.000 43.150  0 524 VAL EEE O   1 ? 8  
ATOM   2493 C  CB  . VAL B 2 194 ? 20.366  -3.948  -21.283 1.000 45.647  0 524 VAL EEE CB  1 ? 8  
ATOM   2494 C  CG1 . VAL B 2 194 ? 19.302  -4.200  -20.213 1.000 44.413  0 524 VAL EEE CG1 1 ? 8  
ATOM   2495 C  CG2 . VAL B 2 194 ? 20.036  -4.629  -22.576 1.000 46.751  0 524 VAL EEE CG2 1 ? 8  
ATOM   2496 N  N   . CYS B 2 195 ? 20.650  -0.909  -19.563 1.000 45.003  0 525 CYS EEE N   1 ? 8  
ATOM   2497 C  CA  . CYS B 2 195 ? 21.278  -0.211  -18.413 1.000 49.030  0 525 CYS EEE CA  1 ? 8  
ATOM   2498 C  C   . CYS B 2 195 ? 20.356  -0.226  -17.201 1.000 47.319  0 525 CYS EEE C   1 ? 8  
ATOM   2499 O  O   . CYS B 2 195 ? 19.135  -0.149  -17.371 1.000 45.203  0 525 CYS EEE O   1 ? 8  
ATOM   2500 C  CB  . CYS B 2 195 ? 21.640  1.210   -18.808 1.000 51.315  0 525 CYS EEE CB  1 ? 8  
ATOM   2501 S  SG  . CYS B 2 195 ? 22.899  1.221   -20.113 1.000 57.230  0 525 CYS EEE SG  1 ? 8  
ATOM   2502 N  N   . GLY B 2 196 ? 20.943  -0.356  -16.018 1.000 49.169  0 526 GLY EEE N   1 ? 8  
ATOM   2503 C  CA  . GLY B 2 196 ? 20.234  -0.084  -14.757 1.000 49.721  0 526 GLY EEE CA  1 ? 8  
ATOM   2504 C  C   . GLY B 2 196 ? 19.963  1.413   -14.671 1.000 51.185  0 526 GLY EEE C   1 ? 8  
ATOM   2505 O  O   . GLY B 2 196 ? 20.607  2.177   -15.387 1.000 48.407  0 526 GLY EEE O   1 ? 8  
ATOM   2506 N  N   . PRO B 2 197 ? 19.017  1.857   -13.805 1.000 54.745  0 527 PRO EEE N   1 ? 8  
ATOM   2507 C  CA  . PRO B 2 197 ? 18.565  3.248   -13.778 1.000 56.216  0 527 PRO EEE CA  1 ? 8  
ATOM   2508 C  C   . PRO B 2 197 ? 19.668  4.237   -13.394 1.000 59.694  0 527 PRO EEE C   1 ? 8  
ATOM   2509 O  O   . PRO B 2 197 ? 19.609  5.354   -13.884 1.000 62.271  0 527 PRO EEE O   1 ? 8  
ATOM   2510 C  CB  . PRO B 2 197 ? 17.476  3.299   -12.703 1.000 56.685  0 527 PRO EEE CB  1 ? 8  
ATOM   2511 C  CG  . PRO B 2 197 ? 17.138  1.855   -12.401 1.000 56.208  0 527 PRO EEE CG  1 ? 8  
ATOM   2512 C  CD  . PRO B 2 197 ? 18.338  1.026   -12.802 1.000 52.976  0 527 PRO EEE CD  1 ? 8  
ATOM   2513 N  N   . LYS B 2 198 ? 20.629  3.809   -12.560 1.000 62.909  0 528 LYS EEE N   1 ? 8  
ATOM   2514 C  CA  . LYS B 2 198 ? 21.771  4.654   -12.095 1.000 70.931  0 528 LYS EEE CA  1 ? 8  
ATOM   2515 C  C   . LYS B 2 198 ? 22.755  4.922   -13.240 1.000 71.496  0 528 LYS EEE C   1 ? 8  
ATOM   2516 O  O   . LYS B 2 198 ? 23.347  6.000   -13.249 1.000 74.719  0 528 LYS EEE O   1 ? 8  
ATOM   2517 C  CB  . LYS B 2 198 ? 22.536  4.006   -10.936 1.000 75.162  0 528 LYS EEE CB  1 ? 8  
ATOM   2518 C  CG  . LYS B 2 198 ? 21.825  4.029   -9.593  1.000 81.273  0 528 LYS EEE CG  1 ? 8  
ATOM   2519 C  CD  . LYS B 2 198 ? 22.172  5.240   -8.763  1.000 86.327  0 528 LYS EEE CD  1 ? 8  
ATOM   2520 C  CE  . LYS B 2 198 ? 21.323  5.351   -7.515  1.000 90.941  0 528 LYS EEE CE  1 ? 8  
ATOM   2521 N  NZ  . LYS B 2 198 ? 21.606  6.616   -6.797  1.000 99.295  0 528 LYS EEE NZ  1 ? 8  
ATOM   2522 N  N   . LYS B 2 199 ? 22.955  3.976   -14.159 1.000 72.595  0 529 LYS EEE N   1 ? 8  
ATOM   2523 C  CA  . LYS B 2 199 ? 23.935  4.124   -15.271 1.000 77.694  0 529 LYS EEE CA  1 ? 8  
ATOM   2524 C  C   . LYS B 2 199 ? 23.152  4.504   -16.537 1.000 80.073  0 529 LYS EEE C   1 ? 8  
ATOM   2525 O  O   . LYS B 2 199 ? 23.069  3.680   -17.444 1.000 94.596  0 529 LYS EEE O   1 ? 8  
ATOM   2526 C  CB  . LYS B 2 199 ? 24.763  2.834   -15.362 1.000 73.259  0 529 LYS EEE CB  1 ? 8  
ATOM   2527 C  CG  . LYS B 2 199 ? 25.991  2.892   -16.262 1.000 76.760  0 529 LYS EEE CG  1 ? 8  
ATOM   2528 C  CD  . LYS B 2 199 ? 27.096  3.796   -15.785 1.000 81.952  0 529 LYS EEE CD  1 ? 8  
ATOM   2529 C  CE  . LYS B 2 199 ? 27.952  3.187   -14.696 1.000 85.680  0 529 LYS EEE CE  1 ? 8  
ATOM   2530 N  NZ  . LYS B 2 199 ? 28.929  4.176   -14.176 1.000 88.747  0 529 LYS EEE NZ  1 ? 8  
ATOM   2531 N  N   . SER B 2 200 ? 22.570  5.707   -16.570 1.000 85.775  0 530 SER EEE N   1 ? 8  
ATOM   2532 C  CA  . SER B 2 200 ? 21.509  6.129   -17.531 1.000 85.998  0 530 SER EEE CA  1 ? 8  
ATOM   2533 C  C   . SER B 2 200 ? 21.427  7.659   -17.584 1.000 89.206  0 530 SER EEE C   1 ? 8  
ATOM   2534 O  O   . SER B 2 200 ? 20.586  8.249   -16.910 1.000 87.673  0 530 SER EEE O   1 ? 8  
ATOM   2535 C  CB  . SER B 2 200 ? 20.169  5.527   -17.161 1.000 82.937  0 530 SER EEE CB  1 ? 8  
ATOM   2536 O  OG  . SER B 2 200 ? 19.919  4.338   -17.891 1.000 78.281  0 530 SER EEE OG  1 ? 8  
ATOM   2537 N  N   . GLN C 3 3   ? -10.775 -34.064 -29.774 1.000 75.732  0 1   GLN FFF N   1 ? 9  
ATOM   2538 C  CA  . GLN C 3 3   ? -10.931 -35.455 -30.328 1.000 75.457  0 1   GLN FFF CA  1 ? 9  
ATOM   2539 C  C   . GLN C 3 3   ? -10.620 -35.468 -31.834 1.000 65.755  0 1   GLN FFF C   1 ? 9  
ATOM   2540 O  O   . GLN C 3 3   ? -10.878 -34.471 -32.522 1.000 63.627  0 1   GLN FFF O   1 ? 9  
ATOM   2541 C  CB  . GLN C 3 3   ? -12.348 -35.993 -30.101 1.000 84.639  0 1   GLN FFF CB  1 ? 9  
ATOM   2542 C  CG  . GLN C 3 3   ? -12.771 -36.053 -28.637 1.000 95.607  0 1   GLN FFF CG  1 ? 9  
ATOM   2543 C  CD  . GLN C 3 3   ? -14.194 -35.592 -28.416 1.000 104.261 0 1   GLN FFF CD  1 ? 9  
ATOM   2544 O  OE1 . GLN C 3 3   ? -14.760 -34.830 -29.202 1.000 98.362  0 1   GLN FFF OE1 1 ? 9  
ATOM   2545 N  NE2 . GLN C 3 3   ? -14.786 -36.045 -27.322 1.000 108.019 0 1   GLN FFF NE2 1 ? 9  
ATOM   2546 N  N   . VAL C 3 4   ? -10.096 -36.590 -32.313 1.000 58.131  0 2   VAL FFF N   1 ? 9  
ATOM   2547 C  CA  . VAL C 3 4   ? -9.799  -36.878 -33.745 1.000 55.037  0 2   VAL FFF CA  1 ? 9  
ATOM   2548 C  C   . VAL C 3 4   ? -10.511 -38.185 -34.087 1.000 45.369  0 2   VAL FFF C   1 ? 9  
ATOM   2549 O  O   . VAL C 3 4   ? -10.718 -38.998 -33.162 1.000 43.455  0 2   VAL FFF O   1 ? 9  
ATOM   2550 C  CB  . VAL C 3 4   ? -8.280  -37.004 -33.973 1.000 58.896  0 2   VAL FFF CB  1 ? 9  
ATOM   2551 C  CG1 . VAL C 3 4   ? -7.963  -37.341 -35.428 1.000 64.495  0 2   VAL FFF CG1 1 ? 9  
ATOM   2552 C  CG2 . VAL C 3 4   ? -7.542  -35.743 -33.544 1.000 62.550  0 2   VAL FFF CG2 1 ? 9  
ATOM   2553 N  N   . GLN C 3 5   ? -10.803 -38.432 -35.358 1.000 39.665  0 3   GLN FFF N   1 ? 9  
ATOM   2554 C  CA  . GLN C 3 5   ? -11.343 -39.752 -35.779 1.000 37.622  0 3   GLN FFF CA  1 ? 9  
ATOM   2555 C  C   . GLN C 3 5   ? -10.208 -40.738 -36.113 1.000 35.019  0 3   GLN FFF C   1 ? 9  
ATOM   2556 O  O   . GLN C 3 5   ? -9.434  -40.479 -37.053 1.000 38.429  0 3   GLN FFF O   1 ? 9  
ATOM   2557 C  CB  . GLN C 3 5   ? -12.274 -39.592 -36.973 1.000 37.674  0 3   GLN FFF CB  1 ? 9  
ATOM   2558 C  CG  . GLN C 3 5   ? -12.957 -40.908 -37.323 1.000 39.350  0 3   GLN FFF CG  1 ? 9  
ATOM   2559 C  CD  . GLN C 3 5   ? -13.851 -40.735 -38.530 1.000 44.341  0 3   GLN FFF CD  1 ? 9  
ATOM   2560 O  OE1 . GLN C 3 5   ? -13.915 -39.669 -39.112 1.000 57.718  0 3   GLN FFF OE1 1 ? 9  
ATOM   2561 N  NE2 . GLN C 3 5   ? -14.588 -41.759 -38.895 1.000 42.922  0 3   GLN FFF NE2 1 ? 9  
ATOM   2562 N  N   . LEU C 3 6   ? -10.146 -41.856 -35.393 1.000 31.684  0 4   LEU FFF N   1 ? 9  
ATOM   2563 C  CA  . LEU C 3 6   ? -9.250  -43.012 -35.658 1.000 29.632  0 4   LEU FFF CA  1 ? 9  
ATOM   2564 C  C   . LEU C 3 6   ? -10.106 -44.050 -36.374 1.000 31.266  0 4   LEU FFF C   1 ? 9  
ATOM   2565 O  O   . LEU C 3 6   ? -11.167 -44.435 -35.836 1.000 30.359  0 4   LEU FFF O   1 ? 9  
ATOM   2566 C  CB  . LEU C 3 6   ? -8.720  -43.625 -34.358 1.000 31.634  0 4   LEU FFF CB  1 ? 9  
ATOM   2567 C  CG  . LEU C 3 6   ? -7.832  -42.745 -33.488 1.000 33.786  0 4   LEU FFF CG  1 ? 9  
ATOM   2568 C  CD1 . LEU C 3 6   ? -7.045  -43.596 -32.513 1.000 33.160  0 4   LEU FFF CD1 1 ? 9  
ATOM   2569 C  CD2 . LEU C 3 6   ? -6.930  -41.844 -34.282 1.000 34.953  0 4   LEU FFF CD2 1 ? 9  
ATOM   2570 N  N   . VAL C 3 7   ? -9.693  -44.462 -37.570 1.000 29.371  0 5   VAL FFF N   1 ? 9  
ATOM   2571 C  CA  . VAL C 3 7   ? -10.449 -45.478 -38.336 1.000 28.035  0 5   VAL FFF CA  1 ? 9  
ATOM   2572 C  C   . VAL C 3 7   ? -9.695  -46.789 -38.150 1.000 27.008  0 5   VAL FFF C   1 ? 9  
ATOM   2573 O  O   . VAL C 3 7   ? -8.538  -46.929 -38.649 1.000 28.062  0 5   VAL FFF O   1 ? 9  
ATOM   2574 C  CB  . VAL C 3 7   ? -10.578 -45.064 -39.808 1.000 29.181  0 5   VAL FFF CB  1 ? 9  
ATOM   2575 C  CG1 . VAL C 3 7   ? -11.310 -46.153 -40.601 1.000 30.956  0 5   VAL FFF CG1 1 ? 9  
ATOM   2576 C  CG2 . VAL C 3 7   ? -11.262 -43.697 -39.962 1.000 30.484  0 5   VAL FFF CG2 1 ? 9  
ATOM   2577 N  N   . GLU C 3 8   ? -10.331 -47.722 -37.473 1.000 28.428  0 6   GLU FFF N   1 ? 9  
ATOM   2578 C  CA  . GLU C 3 8   ? -9.732  -49.005 -37.047 1.000 28.279  0 6   GLU FFF CA  1 ? 9  
ATOM   2579 C  C   . GLU C 3 8   ? -10.322 -50.112 -37.915 1.000 29.704  0 6   GLU FFF C   1 ? 9  
ATOM   2580 O  O   . GLU C 3 8   ? -11.522 -50.038 -38.239 1.000 30.200  0 6   GLU FFF O   1 ? 9  
ATOM   2581 C  CB  . GLU C 3 8   ? -10.049 -49.233 -35.574 1.000 30.441  0 6   GLU FFF CB  1 ? 9  
ATOM   2582 C  CG  . GLU C 3 8   ? -9.377  -50.460 -35.002 1.000 30.790  0 6   GLU FFF CG  1 ? 9  
ATOM   2583 C  CD  . GLU C 3 8   ? -9.695  -50.709 -33.540 1.000 32.781  0 6   GLU FFF CD  1 ? 9  
ATOM   2584 O  OE1 . GLU C 3 8   ? -9.899  -49.700 -32.773 1.000 32.395  0 6   GLU FFF OE1 1 ? 9  
ATOM   2585 O  OE2 . GLU C 3 8   ? -9.752  -51.913 -33.177 1.000 34.171  0 6   GLU FFF OE2 1 ? 9  
ATOM   2586 N  N   . SER C 3 9   ? -9.502  -51.057 -38.355 1.000 29.722  0 7   SER FFF N   1 ? 9  
ATOM   2587 C  CA  . SER C 3 9   ? -9.969  -52.229 -39.135 1.000 31.530  0 7   SER FFF CA  1 ? 9  
ATOM   2588 C  C   . SER C 3 9   ? -9.152  -53.475 -38.815 1.000 30.909  0 7   SER FFF C   1 ? 9  
ATOM   2589 O  O   . SER C 3 9   ? -8.099  -53.366 -38.146 1.000 30.092  0 7   SER FFF O   1 ? 9  
ATOM   2590 C  CB  . SER C 3 9   ? -9.954  -51.963 -40.618 1.000 35.621  0 7   SER FFF CB  1 ? 9  
ATOM   2591 O  OG  . SER C 3 9   ? -8.630  -51.828 -41.046 1.000 40.154  0 7   SER FFF OG  1 ? 9  
ATOM   2592 N  N   . GLY C 3 10  ? -9.678  -54.628 -39.235 1.000 33.660  0 8   GLY FFF N   1 ? 9  
ATOM   2593 C  CA  . GLY C 3 10  ? -8.930  -55.891 -39.362 1.000 39.301  0 8   GLY FFF CA  1 ? 9  
ATOM   2594 C  C   . GLY C 3 10  ? -9.294  -56.987 -38.358 1.000 44.935  0 8   GLY FFF C   1 ? 9  
ATOM   2595 O  O   . GLY C 3 10  ? -8.489  -57.927 -38.179 1.000 59.377  0 8   GLY FFF O   1 ? 9  
ATOM   2596 N  N   . GLY C 3 11  ? -10.462 -56.987 -37.754 1.000 41.031  0 9   GLY FFF N   1 ? 9  
ATOM   2597 C  CA  . GLY C 3 11  ? -10.770 -58.119 -36.847 1.000 47.517  0 9   GLY FFF CA  1 ? 9  
ATOM   2598 C  C   . GLY C 3 11  ? -10.880 -59.488 -37.531 1.000 51.711  0 9   GLY FFF C   1 ? 9  
ATOM   2599 O  O   . GLY C 3 11  ? -10.788 -59.590 -38.752 1.000 55.294  0 9   GLY FFF O   1 ? 9  
ATOM   2600 N  N   . GLY C 3 12  ? -11.112 -60.540 -36.761 1.000 48.092  0 10  GLY FFF N   1 ? 9  
ATOM   2601 C  CA  . GLY C 3 12  ? -11.762 -61.739 -37.302 1.000 49.130  0 10  GLY FFF CA  1 ? 9  
ATOM   2602 C  C   . GLY C 3 12  ? -11.404 -62.975 -36.526 1.000 47.867  0 10  GLY FFF C   1 ? 9  
ATOM   2603 O  O   . GLY C 3 12  ? -10.880 -62.856 -35.403 1.000 43.518  0 10  GLY FFF O   1 ? 9  
ATOM   2604 N  N   . LEU C 3 13  ? -11.724 -64.109 -37.128 1.000 51.018  0 11  LEU FFF N   1 ? 9  
ATOM   2605 C  CA  . LEU C 3 13  ? -11.554 -65.472 -36.575 1.000 55.314  0 11  LEU FFF CA  1 ? 9  
ATOM   2606 C  C   . LEU C 3 13  ? -10.210 -65.987 -37.081 1.000 56.169  0 11  LEU FFF C   1 ? 9  
ATOM   2607 O  O   . LEU C 3 13  ? -9.881  -65.747 -38.249 1.000 59.479  0 11  LEU FFF O   1 ? 9  
ATOM   2608 C  CB  . LEU C 3 13  ? -12.736 -66.328 -37.051 1.000 58.562  0 11  LEU FFF CB  1 ? 9  
ATOM   2609 C  CG  . LEU C 3 13  ? -12.842 -67.754 -36.507 1.000 63.698  0 11  LEU FFF CG  1 ? 9  
ATOM   2610 C  CD1 . LEU C 3 13  ? -12.286 -67.902 -35.094 1.000 62.686  0 11  LEU FFF CD1 1 ? 9  
ATOM   2611 C  CD2 . LEU C 3 13  ? -14.294 -68.218 -36.545 1.000 68.548  0 11  LEU FFF CD2 1 ? 9  
ATOM   2612 N  N   . VAL C 3 14  ? -9.417  -66.596 -36.219 1.000 52.272  0 12  VAL FFF N   1 ? 9  
ATOM   2613 C  CA  . VAL C 3 14  ? -8.091  -67.122 -36.626 1.000 53.722  0 12  VAL FFF CA  1 ? 9  
ATOM   2614 C  C   . VAL C 3 14  ? -7.828  -68.370 -35.794 1.000 55.300  0 12  VAL FFF C   1 ? 9  
ATOM   2615 O  O   . VAL C 3 14  ? -8.400  -68.488 -34.687 1.000 52.565  0 12  VAL FFF O   1 ? 9  
ATOM   2616 C  CB  . VAL C 3 14  ? -7.021  -66.027 -36.485 1.000 57.391  0 12  VAL FFF CB  1 ? 9  
ATOM   2617 C  CG1 . VAL C 3 14  ? -7.020  -65.416 -35.093 1.000 59.470  0 12  VAL FFF CG1 1 ? 9  
ATOM   2618 C  CG2 . VAL C 3 14  ? -5.642  -66.531 -36.864 1.000 62.172  0 12  VAL FFF CG2 1 ? 9  
ATOM   2619 N  N   . LYS C 3 15  ? -7.078  -69.312 -36.352 1.000 58.876  0 13  LYS FFF N   1 ? 9  
ATOM   2620 C  CA  . LYS C 3 15  ? -6.736  -70.576 -35.658 1.000 61.135  0 13  LYS FFF CA  1 ? 9  
ATOM   2621 C  C   . LYS C 3 15  ? -5.592  -70.294 -34.682 1.000 55.508  0 13  LYS FFF C   1 ? 9  
ATOM   2622 O  O   . LYS C 3 15  ? -4.780  -69.394 -34.912 1.000 51.957  0 13  LYS FFF O   1 ? 9  
ATOM   2623 C  CB  . LYS C 3 15  ? -6.439  -71.703 -36.654 1.000 68.820  0 13  LYS FFF CB  1 ? 9  
ATOM   2624 C  CG  . LYS C 3 15  ? -7.618  -72.648 -36.875 1.000 77.388  0 13  LYS FFF CG  1 ? 9  
ATOM   2625 C  CD  . LYS C 3 15  ? -7.465  -73.604 -38.050 1.000 85.930  0 13  LYS FFF CD  1 ? 9  
ATOM   2626 C  CE  . LYS C 3 15  ? -8.741  -73.782 -38.854 1.000 90.440  0 13  LYS FFF CE  1 ? 9  
ATOM   2627 N  NZ  . LYS C 3 15  ? -8.467  -73.851 -40.310 1.000 94.394  0 13  LYS FFF NZ  1 ? 9  
ATOM   2628 N  N   . THR C 3 16  ? -5.613  -70.998 -33.571 1.000 55.933  0 14  THR FFF N   1 ? 9  
ATOM   2629 C  CA  . THR C 3 16  ? -4.548  -70.993 -32.556 1.000 56.289  0 14  THR FFF CA  1 ? 9  
ATOM   2630 C  C   . THR C 3 16  ? -3.210  -71.154 -33.295 1.000 55.909  0 14  THR FFF C   1 ? 9  
ATOM   2631 O  O   . THR C 3 16  ? -3.104  -72.074 -34.110 1.000 59.296  0 14  THR FFF O   1 ? 9  
ATOM   2632 C  CB  . THR C 3 16  ? -4.898  -72.051 -31.503 1.000 58.254  0 14  THR FFF CB  1 ? 9  
ATOM   2633 O  OG1 . THR C 3 16  ? -3.898  -72.014 -30.497 1.000 57.485  0 14  THR FFF OG1 1 ? 9  
ATOM   2634 C  CG2 . THR C 3 16  ? -4.968  -73.455 -32.065 1.000 68.046  0 14  THR FFF CG2 1 ? 9  
ATOM   2635 N  N   . GLY C 3 17  ? -2.242  -70.269 -33.054 1.000 53.447  0 15  GLY FFF N   1 ? 9  
ATOM   2636 C  CA  . GLY C 3 17  ? -0.920  -70.303 -33.707 1.000 54.060  0 15  GLY FFF CA  1 ? 9  
ATOM   2637 C  C   . GLY C 3 17  ? -0.887  -69.431 -34.951 1.000 53.393  0 15  GLY FFF C   1 ? 9  
ATOM   2638 O  O   . GLY C 3 17  ? 0.215   -69.196 -35.479 1.000 55.948  0 15  GLY FFF O   1 ? 9  
ATOM   2639 N  N   . GLY C 3 18  ? -2.046  -68.905 -35.366 1.000 50.928  0 16  GLY FFF N   1 ? 9  
ATOM   2640 C  CA  . GLY C 3 18  ? -2.195  -68.062 -36.566 1.000 49.055  0 16  GLY FFF CA  1 ? 9  
ATOM   2641 C  C   . GLY C 3 18  ? -1.824  -66.607 -36.333 1.000 44.825  0 16  GLY FFF C   1 ? 9  
ATOM   2642 O  O   . GLY C 3 18  ? -1.358  -66.256 -35.219 1.000 43.155  0 16  GLY FFF O   1 ? 9  
ATOM   2643 N  N   . SER C 3 19  ? -2.041  -65.775 -37.357 1.000 43.319  0 17  SER FFF N   1 ? 9  
ATOM   2644 C  CA  . SER C 3 19  ? -1.645  -64.345 -37.391 1.000 44.310  0 17  SER FFF CA  1 ? 9  
ATOM   2645 C  C   . SER C 3 19  ? -2.818  -63.486 -37.862 1.000 41.277  0 17  SER FFF C   1 ? 9  
ATOM   2646 O  O   . SER C 3 19  ? -3.595  -63.963 -38.661 1.000 42.535  0 17  SER FFF O   1 ? 9  
ATOM   2647 C  CB  . SER C 3 19  ? -0.444  -64.155 -38.279 1.000 49.520  0 17  SER FFF CB  1 ? 9  
ATOM   2648 O  OG  . SER C 3 19  ? 0.713   -64.709 -37.671 1.000 57.801  0 17  SER FFF OG  1 ? 9  
ATOM   2649 N  N   . LEU C 3 20  ? -2.930  -62.268 -37.365 1.000 40.456  0 18  LEU FFF N   1 ? 9  
ATOM   2650 C  CA  . LEU C 3 20  ? -3.854  -61.235 -37.887 1.000 42.082  0 18  LEU FFF CA  1 ? 9  
ATOM   2651 C  C   . LEU C 3 20  ? -3.112  -59.905 -37.850 1.000 40.131  0 18  LEU FFF C   1 ? 9  
ATOM   2652 O  O   . LEU C 3 20  ? -2.233  -59.767 -36.996 1.000 39.517  0 18  LEU FFF O   1 ? 9  
ATOM   2653 C  CB  . LEU C 3 20  ? -5.071  -61.146 -36.975 1.000 44.719  0 18  LEU FFF CB  1 ? 9  
ATOM   2654 C  CG  . LEU C 3 20  ? -6.310  -61.915 -37.386 1.000 56.827  0 18  LEU FFF CG  1 ? 9  
ATOM   2655 C  CD1 . LEU C 3 20  ? -7.465  -61.474 -36.496 1.000 60.049  0 18  LEU FFF CD1 1 ? 9  
ATOM   2656 C  CD2 . LEU C 3 20  ? -6.638  -61.687 -38.863 1.000 59.984  0 18  LEU FFF CD2 1 ? 9  
ATOM   2657 N  N   . ARG C 3 21  ? -3.519  -58.947 -38.670 1.000 37.387  0 19  ARG FFF N   1 ? 9  
ATOM   2658 C  CA  . ARG C 3 21  ? -3.075  -57.543 -38.561 1.000 38.770  0 19  ARG FFF CA  1 ? 9  
ATOM   2659 C  C   . ARG C 3 21  ? -4.296  -56.664 -38.277 1.000 38.769  0 19  ARG FFF C   1 ? 9  
ATOM   2660 O  O   . ARG C 3 21  ? -5.229  -56.699 -39.075 1.000 40.977  0 19  ARG FFF O   1 ? 9  
ATOM   2661 C  CB  . ARG C 3 21  ? -2.330  -57.133 -39.835 1.000 42.395  0 19  ARG FFF CB  1 ? 9  
ATOM   2662 C  CG  . ARG C 3 21  ? -2.054  -55.647 -39.913 1.000 45.066  0 19  ARG FFF CG  1 ? 9  
ATOM   2663 C  CD  . ARG C 3 21  ? -1.136  -55.129 -41.000 1.000 45.190  0 19  ARG FFF CD  1 ? 9  
ATOM   2664 N  NE  . ARG C 3 21  ? -1.433  -55.180 -42.428 1.000 63.849  0 19  ARG FFF NE  1 ? 9  
ATOM   2665 C  CZ  . ARG C 3 21  ? -2.317  -54.469 -43.130 1.000 55.954  0 19  ARG FFF CZ  1 ? 9  
ATOM   2666 N  NH1 . ARG C 3 21  ? -3.225  -53.704 -42.567 1.000 59.351  0 19  ARG FFF NH1 1 ? 9  
ATOM   2667 N  NH2 . ARG C 3 21  ? -2.374  -54.658 -44.428 1.000 76.592  0 19  ARG FFF NH2 1 ? 9  
ATOM   2668 N  N   . LEU C 3 22  ? -4.241  -55.831 -37.235 1.000 31.121  0 20  LEU FFF N   1 ? 9  
ATOM   2669 C  CA  . LEU C 3 22  ? -5.198  -54.713 -37.050 1.000 31.113  0 20  LEU FFF CA  1 ? 9  
ATOM   2670 C  C   . LEU C 3 22  ? -4.541  -53.445 -37.580 1.000 30.078  0 20  LEU FFF C   1 ? 9  
ATOM   2671 O  O   . LEU C 3 22  ? -3.272  -53.355 -37.555 1.000 31.221  0 20  LEU FFF O   1 ? 9  
ATOM   2672 C  CB  . LEU C 3 22  ? -5.582  -54.549 -35.573 1.000 28.583  0 20  LEU FFF CB  1 ? 9  
ATOM   2673 C  CG  . LEU C 3 22  ? -6.068  -55.828 -34.890 1.000 31.138  0 20  LEU FFF CG  1 ? 9  
ATOM   2674 C  CD1 . LEU C 3 22  ? -6.464  -55.575 -33.438 1.000 31.672  0 20  LEU FFF CD1 1 ? 9  
ATOM   2675 C  CD2 . LEU C 3 22  ? -7.232  -56.421 -35.649 1.000 34.611  0 20  LEU FFF CD2 1 ? 9  
ATOM   2676 N  N   . SER C 3 23  ? -5.371  -52.480 -37.968 1.000 26.883  0 21  SER FFF N   1 ? 9  
ATOM   2677 C  CA  . SER C 3 23  ? -4.905  -51.203 -38.553 1.000 29.024  0 21  SER FFF CA  1 ? 9  
ATOM   2678 C  C   . SER C 3 23  ? -5.616  -50.089 -37.844 1.000 27.691  0 21  SER FFF C   1 ? 9  
ATOM   2679 O  O   . SER C 3 23  ? -6.766  -50.252 -37.529 1.000 27.917  0 21  SER FFF O   1 ? 9  
ATOM   2680 C  CB  . SER C 3 23  ? -5.207  -51.099 -40.034 1.000 31.092  0 21  SER FFF CB  1 ? 9  
ATOM   2681 O  OG  . SER C 3 23  ? -4.507  -52.086 -40.762 1.000 39.781  0 21  SER FFF OG  1 ? 9  
ATOM   2682 N  N   . CYS C 3 24  ? -4.951  -48.964 -37.706 1.000 29.238  0 22  CYS FFF N   1 ? 9  
ATOM   2683 C  CA  . CYS C 3 24  ? -5.559  -47.764 -37.117 1.000 28.759  0 22  CYS FFF CA  1 ? 9  
ATOM   2684 C  C   . CYS C 3 24  ? -5.046  -46.589 -37.923 1.000 28.396  0 22  CYS FFF C   1 ? 9  
ATOM   2685 O  O   . CYS C 3 24  ? -3.833  -46.458 -38.001 1.000 28.710  0 22  CYS FFF O   1 ? 9  
ATOM   2686 C  CB  . CYS C 3 24  ? -5.170  -47.697 -35.652 1.000 31.262  0 22  CYS FFF CB  1 ? 9  
ATOM   2687 S  SG  . CYS C 3 24  ? -6.023  -46.349 -34.813 1.000 37.424  0 22  CYS FFF SG  1 ? 9  
ATOM   2688 N  N   . ALA C 3 25  ? -5.930  -45.848 -38.591 1.000 28.264  0 23  ALA FFF N   1 ? 9  
ATOM   2689 C  CA  . ALA C 3 25  ? -5.527  -44.732 -39.475 1.000 28.989  0 23  ALA FFF CA  1 ? 9  
ATOM   2690 C  C   . ALA C 3 25  ? -6.083  -43.400 -38.954 1.000 28.458  0 23  ALA FFF C   1 ? 9  
ATOM   2691 O  O   . ALA C 3 25  ? -7.223  -43.373 -38.441 1.000 27.342  0 23  ALA FFF O   1 ? 9  
ATOM   2692 C  CB  . ALA C 3 25  ? -6.021  -45.001 -40.858 1.000 28.777  0 23  ALA FFF CB  1 ? 9  
ATOM   2693 N  N   . ALA C 3 26  ? -5.345  -42.318 -39.154 1.000 28.550  0 24  ALA FFF N   1 ? 9  
ATOM   2694 C  CA  . ALA C 3 26  ? -5.783  -40.961 -38.770 1.000 30.512  0 24  ALA FFF CA  1 ? 9  
ATOM   2695 C  C   . ALA C 3 26  ? -5.095  -39.979 -39.698 1.000 31.227  0 24  ALA FFF C   1 ? 9  
ATOM   2696 O  O   . ALA C 3 26  ? -3.917  -40.181 -39.960 1.000 32.049  0 24  ALA FFF O   1 ? 9  
ATOM   2697 C  CB  . ALA C 3 26  ? -5.431  -40.712 -37.321 1.000 32.521  0 24  ALA FFF CB  1 ? 9  
ATOM   2698 N  N   . SER C 3 27  ? -5.825  -39.003 -40.212 1.000 34.045  0 25  SER FFF N   1 ? 9  
ATOM   2699 C  CA  . SER C 3 27  ? -5.344  -38.084 -41.265 1.000 36.729  0 25  SER FFF CA  1 ? 9  
ATOM   2700 C  C   . SER C 3 27  ? -4.221  -37.218 -40.704 1.000 36.818  0 25  SER FFF C   1 ? 9  
ATOM   2701 O  O   . SER C 3 27  ? -4.216  -36.941 -39.494 1.000 38.520  0 25  SER FFF O   1 ? 9  
ATOM   2702 C  CB  . SER C 3 27  ? -6.472  -37.247 -41.816 1.000 38.369  0 25  SER FFF CB  1 ? 9  
ATOM   2703 O  OG  . SER C 3 27  ? -7.135  -36.630 -40.736 1.000 40.716  0 25  SER FFF OG  1 ? 9  
ATOM   2704 N  N   . GLY C 3 28  ? -3.259  -36.874 -41.561 1.000 39.202  0 26  GLY FFF N   1 ? 9  
ATOM   2705 C  CA  . GLY C 3 28  ? -2.267  -35.809 -41.307 1.000 37.999  0 26  GLY FFF CA  1 ? 9  
ATOM   2706 C  C   . GLY C 3 28  ? -1.355  -36.170 -40.147 1.000 34.803  0 26  GLY FFF C   1 ? 9  
ATOM   2707 O  O   . GLY C 3 28  ? -0.903  -37.305 -40.084 1.000 34.686  0 26  GLY FFF O   1 ? 9  
ATOM   2708 N  N   . ARG C 3 29  ? -1.161  -35.256 -39.211 1.000 37.449  0 27  ARG FFF N   1 ? 9  
ATOM   2709 C  CA  . ARG C 3 29  ? -0.038  -35.304 -38.249 1.000 37.879  0 27  ARG FFF CA  1 ? 9  
ATOM   2710 C  C   . ARG C 3 29  ? -0.475  -35.926 -36.918 1.000 35.513  0 27  ARG FFF C   1 ? 9  
ATOM   2711 O  O   . ARG C 3 29  ? 0.362   -35.956 -36.007 1.000 34.169  0 27  ARG FFF O   1 ? 9  
ATOM   2712 C  CB  . ARG C 3 29  ? 0.567   -33.899 -38.194 1.000 42.579  0 27  ARG FFF CB  1 ? 9  
ATOM   2713 C  CG  . ARG C 3 29  ? 1.371   -33.611 -39.460 1.000 50.502  0 27  ARG FFF CG  1 ? 9  
ATOM   2714 C  CD  . ARG C 3 29  ? 1.911   -32.208 -39.673 1.000 63.173  0 27  ARG FFF CD  1 ? 9  
ATOM   2715 N  NE  . ARG C 3 29  ? 2.902   -32.180 -40.757 1.000 66.999  0 27  ARG FFF NE  1 ? 9  
ATOM   2716 C  CZ  . ARG C 3 29  ? 2.660   -31.941 -42.054 1.000 78.260  0 27  ARG FFF CZ  1 ? 9  
ATOM   2717 N  NH1 . ARG C 3 29  ? 1.433   -31.690 -42.494 1.000 73.313  0 27  ARG FFF NH1 1 ? 9  
ATOM   2718 N  NH2 . ARG C 3 29  ? 3.667   -31.953 -42.917 1.000 80.643  0 27  ARG FFF NH2 1 ? 9  
ATOM   2719 N  N   . THR C 3 30  ? -1.663  -36.532 -36.826 1.000 32.755  0 28  THR FFF N   1 ? 9  
ATOM   2720 C  CA  . THR C 3 30  ? -2.163  -37.116 -35.552 1.000 30.932  0 28  THR FFF CA  1 ? 9  
ATOM   2721 C  C   . THR C 3 30  ? -1.116  -38.044 -34.936 1.000 30.534  0 28  THR FFF C   1 ? 9  
ATOM   2722 O  O   . THR C 3 30  ? -0.724  -37.830 -33.763 1.000 27.757  0 28  THR FFF O   1 ? 9  
ATOM   2723 C  CB  . THR C 3 30  ? -3.493  -37.847 -35.738 1.000 31.836  0 28  THR FFF CB  1 ? 9  
ATOM   2724 O  OG1 . THR C 3 30  ? -4.484  -36.860 -35.986 1.000 33.604  0 28  THR FFF OG1 1 ? 9  
ATOM   2725 C  CG2 . THR C 3 30  ? -3.938  -38.634 -34.532 1.000 31.665  0 28  THR FFF CG2 1 ? 9  
ATOM   2726 N  N   . PHE C 3 31  ? -0.700  -39.084 -35.650 1.000 28.917  0 29  PHE FFF N   1 ? 9  
ATOM   2727 C  CA  . PHE C 3 31  ? 0.176   -40.101 -35.032 1.000 31.143  0 29  PHE FFF CA  1 ? 9  
ATOM   2728 C  C   . PHE C 3 31  ? 1.582   -39.544 -34.812 1.000 30.965  0 29  PHE FFF C   1 ? 9  
ATOM   2729 O  O   . PHE C 3 31  ? 2.294   -40.088 -33.942 1.000 31.913  0 29  PHE FFF O   1 ? 9  
ATOM   2730 C  CB  . PHE C 3 31  ? 0.171   -41.392 -35.831 1.000 29.785  0 29  PHE FFF CB  1 ? 9  
ATOM   2731 C  CG  . PHE C 3 31  ? -1.114  -42.163 -35.734 1.000 28.347  0 29  PHE FFF CG  1 ? 9  
ATOM   2732 C  CD1 . PHE C 3 31  ? -1.647  -42.485 -34.513 1.000 28.742  0 29  PHE FFF CD1 1 ? 9  
ATOM   2733 C  CD2 . PHE C 3 31  ? -1.708  -42.682 -36.866 1.000 29.193  0 29  PHE FFF CD2 1 ? 9  
ATOM   2734 C  CE1 . PHE C 3 31  ? -2.795  -43.255 -34.412 1.000 31.630  0 29  PHE FFF CE1 1 ? 9  
ATOM   2735 C  CE2 . PHE C 3 31  ? -2.860  -43.436 -36.770 1.000 30.593  0 29  PHE FFF CE2 1 ? 9  
ATOM   2736 C  CZ  . PHE C 3 31  ? -3.406  -43.719 -35.547 1.000 31.490  0 29  PHE FFF CZ  1 ? 9  
ATOM   2737 N  N   . SER C 3 32  ? 1.982   -38.504 -35.539 1.000 31.983  0 30  SER FFF N   1 ? 9  
ATOM   2738 C  CA  A SER C 3 32  ? 3.307   -37.880 -35.287 0.600 32.234  0 30  SER FFF CA  1 ? 9  
ATOM   2739 C  CA  B SER C 3 32  ? 3.282   -37.809 -35.344 0.400 33.274  0 30  SER FFF CA  1 ? 9  
ATOM   2740 C  C   . SER C 3 32  ? 3.183   -36.814 -34.179 1.000 32.044  0 30  SER FFF C   1 ? 9  
ATOM   2741 O  O   . SER C 3 32  ? 4.196   -36.249 -33.836 1.000 31.186  0 30  SER FFF O   1 ? 9  
ATOM   2742 C  CB  A SER C 3 32  ? 3.929   -37.349 -36.548 0.600 33.720  0 30  SER FFF CB  1 ? 9  
ATOM   2743 C  CB  B SER C 3 32  ? 3.718   -37.100 -36.600 0.400 36.132  0 30  SER FFF CB  1 ? 9  
ATOM   2744 O  OG  A SER C 3 32  ? 3.081   -36.400 -37.163 0.600 34.146  0 30  SER FFF OG  1 ? 9  
ATOM   2745 O  OG  B SER C 3 32  ? 4.038   -38.027 -37.618 0.400 39.035  0 30  SER FFF OG  1 ? 9  
ATOM   2746 N  N   . THR C 3 33  ? 1.984   -36.605 -33.613 1.000 31.031  0 31  THR FFF N   1 ? 9  
ATOM   2747 C  CA  . THR C 3 33  ? 1.721   -35.620 -32.519 1.000 32.431  0 31  THR FFF CA  1 ? 9  
ATOM   2748 C  C   . THR C 3 33  ? 1.482   -36.342 -31.180 1.000 31.797  0 31  THR FFF C   1 ? 9  
ATOM   2749 O  O   . THR C 3 33  ? 2.018   -35.901 -30.140 1.000 30.107  0 31  THR FFF O   1 ? 9  
ATOM   2750 C  CB  . THR C 3 33  ? 0.531   -34.720 -32.868 1.000 34.240  0 31  THR FFF CB  1 ? 9  
ATOM   2751 O  OG1 . THR C 3 33  ? 0.818   -34.198 -34.166 1.000 32.865  0 31  THR FFF OG1 1 ? 9  
ATOM   2752 C  CG2 . THR C 3 33  ? 0.333   -33.561 -31.910 1.000 36.360  0 31  THR FFF CG2 1 ? 9  
ATOM   2753 N  N   . TYR C 3 34  ? 0.679   -37.402 -31.193 1.000 30.245  0 32  TYR FFF N   1 ? 9  
ATOM   2754 C  CA  . TYR C 3 34  ? 0.198   -38.075 -29.965 1.000 31.525  0 32  TYR FFF CA  1 ? 9  
ATOM   2755 C  C   . TYR C 3 34  ? 0.621   -39.540 -30.023 1.000 30.483  0 32  TYR FFF C   1 ? 9  
ATOM   2756 O  O   . TYR C 3 34  ? 0.353   -40.236 -31.029 1.000 30.760  0 32  TYR FFF O   1 ? 9  
ATOM   2757 C  CB  . TYR C 3 34  ? -1.320  -37.967 -29.858 1.000 31.561  0 32  TYR FFF CB  1 ? 9  
ATOM   2758 C  CG  . TYR C 3 34  ? -1.848  -36.565 -29.975 1.000 34.942  0 32  TYR FFF CG  1 ? 9  
ATOM   2759 C  CD1 . TYR C 3 34  ? -1.597  -35.625 -28.988 1.000 38.948  0 32  TYR FFF CD1 1 ? 9  
ATOM   2760 C  CD2 . TYR C 3 34  ? -2.611  -36.180 -31.065 1.000 36.086  0 32  TYR FFF CD2 1 ? 9  
ATOM   2761 C  CE1 . TYR C 3 34  ? -2.054  -34.316 -29.097 1.000 40.342  0 32  TYR FFF CE1 1 ? 9  
ATOM   2762 C  CE2 . TYR C 3 34  ? -3.090  -34.884 -31.184 1.000 38.645  0 32  TYR FFF CE2 1 ? 9  
ATOM   2763 C  CZ  . TYR C 3 34  ? -2.822  -33.961 -30.192 1.000 41.319  0 32  TYR FFF CZ  1 ? 9  
ATOM   2764 O  OH  . TYR C 3 34  ? -3.295  -32.693 -30.303 1.000 47.703  0 32  TYR FFF OH  1 ? 9  
ATOM   2765 N  N   . SER C 3 35  ? 1.233   -40.027 -28.963 1.000 28.912  0 33  SER FFF N   1 ? 9  
ATOM   2766 C  CA  . SER C 3 35  ? 1.560   -41.473 -28.847 1.000 28.110  0 33  SER FFF CA  1 ? 9  
ATOM   2767 C  C   . SER C 3 35  ? 0.263   -42.294 -28.914 1.000 27.704  0 33  SER FFF C   1 ? 9  
ATOM   2768 O  O   . SER C 3 35  ? -0.821  -41.815 -28.532 1.000 27.701  0 33  SER FFF O   1 ? 9  
ATOM   2769 C  CB  . SER C 3 35  ? 2.321   -41.733 -27.581 1.000 27.691  0 33  SER FFF CB  1 ? 9  
ATOM   2770 O  OG  . SER C 3 35  ? 3.566   -41.056 -27.624 1.000 26.312  0 33  SER FFF OG  1 ? 9  
ATOM   2771 N  N   . MET C 3 36  ? 0.350   -43.522 -29.383 1.000 27.422  0 34  MET FFF N   1 ? 9  
ATOM   2772 C  CA  . MET C 3 36  ? -0.858  -44.345 -29.540 1.000 27.450  0 34  MET FFF CA  1 ? 9  
ATOM   2773 C  C   . MET C 3 36  ? -0.693  -45.638 -28.760 1.000 26.307  0 34  MET FFF C   1 ? 9  
ATOM   2774 O  O   . MET C 3 36  ? 0.447   -46.099 -28.502 1.000 26.473  0 34  MET FFF O   1 ? 9  
ATOM   2775 C  CB  . MET C 3 36  ? -1.186  -44.616 -31.011 1.000 27.138  0 34  MET FFF CB  1 ? 9  
ATOM   2776 C  CG  . MET C 3 36  ? -0.249  -45.628 -31.657 1.000 29.501  0 34  MET FFF CG  1 ? 9  
ATOM   2777 S  SD  . MET C 3 36  ? -0.637  -47.390 -31.313 1.000 32.569  0 34  MET FFF SD  1 ? 9  
ATOM   2778 C  CE  . MET C 3 36  ? -2.346  -47.466 -31.852 1.000 36.017  0 34  MET FFF CE  1 ? 9  
ATOM   2779 N  N   . GLY C 3 37  ? -1.830  -46.204 -28.397 1.000 27.531  0 35  GLY FFF N   1 ? 9  
ATOM   2780 C  CA  . GLY C 3 37  ? -1.868  -47.523 -27.758 1.000 28.873  0 35  GLY FFF CA  1 ? 9  
ATOM   2781 C  C   . GLY C 3 37  ? -2.987  -48.378 -28.322 1.000 29.269  0 35  GLY FFF C   1 ? 9  
ATOM   2782 O  O   . GLY C 3 37  ? -4.066  -47.854 -28.669 1.000 29.883  0 35  GLY FFF O   1 ? 9  
ATOM   2783 N  N   . TRP C 3 38  ? -2.736  -49.672 -28.346 1.000 28.111  0 36  TRP FFF N   1 ? 9  
ATOM   2784 C  CA  . TRP C 3 38  ? -3.743  -50.722 -28.563 1.000 26.633  0 36  TRP FFF CA  1 ? 9  
ATOM   2785 C  C   . TRP C 3 38  ? -4.173  -51.278 -27.207 1.000 26.457  0 36  TRP FFF C   1 ? 9  
ATOM   2786 O  O   . TRP C 3 38  ? -3.281  -51.594 -26.380 1.000 26.998  0 36  TRP FFF O   1 ? 9  
ATOM   2787 C  CB  . TRP C 3 38  ? -3.118  -51.823 -29.405 1.000 28.522  0 36  TRP FFF CB  1 ? 9  
ATOM   2788 C  CG  . TRP C 3 38  ? -2.781  -51.416 -30.798 1.000 26.998  0 36  TRP FFF CG  1 ? 9  
ATOM   2789 C  CD1 . TRP C 3 38  ? -1.578  -51.007 -31.302 1.000 27.259  0 36  TRP FFF CD1 1 ? 9  
ATOM   2790 C  CD2 . TRP C 3 38  ? -3.709  -51.392 -31.883 1.000 26.979  0 36  TRP FFF CD2 1 ? 9  
ATOM   2791 N  NE1 . TRP C 3 38  ? -1.685  -50.758 -32.646 1.000 27.648  0 36  TRP FFF NE1 1 ? 9  
ATOM   2792 C  CE2 . TRP C 3 38  ? -2.986  -50.985 -33.026 1.000 26.727  0 36  TRP FFF CE2 1 ? 9  
ATOM   2793 C  CE3 . TRP C 3 38  ? -5.068  -51.688 -31.983 1.000 26.135  0 36  TRP FFF CE3 1 ? 9  
ATOM   2794 C  CZ2 . TRP C 3 38  ? -3.599  -50.861 -34.268 1.000 28.417  0 36  TRP FFF CZ2 1 ? 9  
ATOM   2795 C  CZ3 . TRP C 3 38  ? -5.657  -51.605 -33.221 1.000 27.382  0 36  TRP FFF CZ3 1 ? 9  
ATOM   2796 C  CH2 . TRP C 3 38  ? -4.940  -51.180 -34.331 1.000 27.501  0 36  TRP FFF CH2 1 ? 9  
ATOM   2797 N  N   . PHE C 3 39  ? -5.476  -51.465 -27.021 1.000 30.493  0 37  PHE FFF N   1 ? 10 
ATOM   2798 C  CA  . PHE C 3 39  ? -6.045  -52.054 -25.794 1.000 30.420  0 37  PHE FFF CA  1 ? 10 
ATOM   2799 C  C   . PHE C 3 39  ? -6.929  -53.215 -26.187 1.000 30.830  0 37  PHE FFF C   1 ? 10 
ATOM   2800 O  O   . PHE C 3 39  ? -7.359  -53.272 -27.380 1.000 30.051  0 37  PHE FFF O   1 ? 10 
ATOM   2801 C  CB  . PHE C 3 39  ? -6.860  -50.996 -25.064 1.000 30.369  0 37  PHE FFF CB  1 ? 10 
ATOM   2802 C  CG  . PHE C 3 39  ? -6.012  -49.948 -24.413 1.000 31.128  0 37  PHE FFF CG  1 ? 10 
ATOM   2803 C  CD1 . PHE C 3 39  ? -5.437  -48.925 -25.153 1.000 31.876  0 37  PHE FFF CD1 1 ? 10 
ATOM   2804 C  CD2 . PHE C 3 39  ? -5.778  -49.998 -23.045 1.000 31.704  0 37  PHE FFF CD2 1 ? 10 
ATOM   2805 C  CE1 . PHE C 3 39  ? -4.663  -47.954 -24.533 1.000 32.807  0 37  PHE FFF CE1 1 ? 10 
ATOM   2806 C  CE2 . PHE C 3 39  ? -5.014  -49.014 -22.430 1.000 32.551  0 37  PHE FFF CE2 1 ? 10 
ATOM   2807 C  CZ  . PHE C 3 39  ? -4.435  -48.016 -23.177 1.000 33.278  0 37  PHE FFF CZ  1 ? 10 
ATOM   2808 N  N   . ARG C 3 40  ? -7.248  -54.081 -25.237 1.000 29.206  0 38  ARG FFF N   1 ? 10 
ATOM   2809 C  CA  . ARG C 3 40  ? -8.234  -55.140 -25.514 1.000 31.004  0 38  ARG FFF CA  1 ? 10 
ATOM   2810 C  C   . ARG C 3 40  ? -9.128  -55.362 -24.295 1.000 33.823  0 38  ARG FFF C   1 ? 10 
ATOM   2811 O  O   . ARG C 3 40  ? -8.698  -55.118 -23.157 1.000 31.494  0 38  ARG FFF O   1 ? 10 
ATOM   2812 C  CB  . ARG C 3 40  ? -7.527  -56.414 -25.971 1.000 32.674  0 38  ARG FFF CB  1 ? 10 
ATOM   2813 C  CG  . ARG C 3 40  ? -6.799  -57.171 -24.876 1.000 33.313  0 38  ARG FFF CG  1 ? 10 
ATOM   2814 C  CD  . ARG C 3 40  ? -5.954  -58.247 -25.494 1.000 35.362  0 38  ARG FFF CD  1 ? 10 
ATOM   2815 N  NE  . ARG C 3 40  ? -5.164  -58.923 -24.484 1.000 35.954  0 38  ARG FFF NE  1 ? 10 
ATOM   2816 C  CZ  . ARG C 3 40  ? -4.330  -59.912 -24.722 1.000 39.928  0 38  ARG FFF CZ  1 ? 10 
ATOM   2817 N  NH1 . ARG C 3 40  ? -4.170  -60.383 -25.952 1.000 39.626  0 38  ARG FFF NH1 1 ? 10 
ATOM   2818 N  NH2 . ARG C 3 40  ? -3.690  -60.471 -23.703 1.000 41.565  0 38  ARG FFF NH2 1 ? 10 
ATOM   2819 N  N   . GLN C 3 41  ? -10.333 -55.842 -24.542 1.000 34.506  0 39  GLN FFF N   1 ? 10 
ATOM   2820 C  CA  . GLN C 3 41  ? -11.324 -56.055 -23.480 1.000 38.380  0 39  GLN FFF CA  1 ? 10 
ATOM   2821 C  C   . GLN C 3 41  ? -12.027 -57.382 -23.749 1.000 40.279  0 39  GLN FFF C   1 ? 10 
ATOM   2822 O  O   . GLN C 3 41  ? -12.664 -57.492 -24.796 1.000 38.206  0 39  GLN FFF O   1 ? 10 
ATOM   2823 C  CB  . GLN C 3 41  ? -12.303 -54.890 -23.451 1.000 41.079  0 39  GLN FFF CB  1 ? 10 
ATOM   2824 C  CG  . GLN C 3 41  ? -13.368 -55.054 -22.385 1.000 44.230  0 39  GLN FFF CG  1 ? 10 
ATOM   2825 C  CD  . GLN C 3 41  ? -13.951 -53.713 -22.015 1.000 51.466  0 39  GLN FFF CD  1 ? 10 
ATOM   2826 O  OE1 . GLN C 3 41  ? -14.176 -52.840 -22.859 1.000 51.531  0 39  GLN FFF OE1 1 ? 10 
ATOM   2827 N  NE2 . GLN C 3 41  ? -14.136 -53.519 -20.719 1.000 57.603  0 39  GLN FFF NE2 1 ? 10 
ATOM   2828 N  N   . ALA C 3 42  ? -11.809 -58.370 -22.896 1.000 42.974  0 40  ALA FFF N   1 ? 10 
ATOM   2829 C  CA  . ALA C 3 42  ? -12.567 -59.643 -22.904 1.000 50.096  0 40  ALA FFF CA  1 ? 10 
ATOM   2830 C  C   . ALA C 3 42  ? -13.909 -59.430 -22.200 1.000 53.251  0 40  ALA FFF C   1 ? 10 
ATOM   2831 O  O   . ALA C 3 42  ? -14.082 -58.468 -21.451 1.000 54.115  0 40  ALA FFF O   1 ? 10 
ATOM   2832 C  CB  . ALA C 3 42  ? -11.746 -60.737 -22.274 1.000 52.386  0 40  ALA FFF CB  1 ? 10 
ATOM   2833 N  N   . PRO C 3 43  ? -14.928 -60.286 -22.450 1.000 58.526  0 41  PRO FFF N   1 ? 10 
ATOM   2834 C  CA  . PRO C 3 43  ? -16.248 -60.090 -21.852 1.000 60.194  0 41  PRO FFF CA  1 ? 10 
ATOM   2835 C  C   . PRO C 3 43  ? -16.152 -60.121 -20.317 1.000 61.699  0 41  PRO FFF C   1 ? 10 
ATOM   2836 O  O   . PRO C 3 43  ? -15.468 -60.994 -19.783 1.000 58.336  0 41  PRO FFF O   1 ? 10 
ATOM   2837 C  CB  . PRO C 3 43  ? -17.096 -61.243 -22.420 1.000 65.894  0 41  PRO FFF CB  1 ? 10 
ATOM   2838 C  CG  . PRO C 3 43  ? -16.347 -61.662 -23.679 1.000 65.592  0 41  PRO FFF CG  1 ? 10 
ATOM   2839 C  CD  . PRO C 3 43  ? -14.880 -61.464 -23.336 1.000 62.429  0 41  PRO FFF CD  1 ? 10 
ATOM   2840 N  N   . GLY C 3 44  ? -16.773 -59.130 -19.665 1.000 60.878  0 42  GLY FFF N   1 ? 10 
ATOM   2841 C  CA  . GLY C 3 44  ? -16.705 -58.900 -18.206 1.000 66.749  0 42  GLY FFF CA  1 ? 10 
ATOM   2842 C  C   . GLY C 3 44  ? -15.278 -58.788 -17.669 1.000 68.070  0 42  GLY FFF C   1 ? 10 
ATOM   2843 O  O   . GLY C 3 44  ? -15.047 -59.258 -16.528 1.000 72.287  0 42  GLY FFF O   1 ? 10 
ATOM   2844 N  N   . LYS C 3 45  ? -14.338 -58.216 -18.434 1.000 58.824  0 43  LYS FFF N   1 ? 10 
ATOM   2845 C  CA  . LYS C 3 45  ? -13.000 -57.831 -17.908 1.000 57.020  0 43  LYS FFF CA  1 ? 10 
ATOM   2846 C  C   . LYS C 3 45  ? -12.730 -56.358 -18.223 1.000 51.728  0 43  LYS FFF C   1 ? 10 
ATOM   2847 O  O   . LYS C 3 45  ? -13.474 -55.730 -19.001 1.000 49.779  0 43  LYS FFF O   1 ? 10 
ATOM   2848 C  CB  . LYS C 3 45  ? -11.910 -58.788 -18.401 1.000 60.488  0 43  LYS FFF CB  1 ? 10 
ATOM   2849 C  CG  . LYS C 3 45  ? -12.251 -60.251 -18.171 1.000 67.478  0 43  LYS FFF CG  1 ? 10 
ATOM   2850 C  CD  . LYS C 3 45  ? -11.085 -61.178 -17.901 1.000 73.706  0 43  LYS FFF CD  1 ? 10 
ATOM   2851 C  CE  . LYS C 3 45  ? -11.500 -62.330 -17.001 1.000 85.869  0 43  LYS FFF CE  1 ? 10 
ATOM   2852 N  NZ  . LYS C 3 45  ? -10.694 -63.553 -17.230 1.000 94.521  0 43  LYS FFF NZ  1 ? 10 
ATOM   2853 N  N   . GLU C 3 46  ? -11.723 -55.785 -17.587 1.000 49.569  0 44  GLU FFF N   1 ? 10 
ATOM   2854 C  CA  . GLU C 3 46  ? -11.370 -54.375 -17.860 1.000 52.305  0 44  GLU FFF CA  1 ? 10 
ATOM   2855 C  C   . GLU C 3 46  ? -10.586 -54.315 -19.180 1.000 44.906  0 44  GLU FFF C   1 ? 10 
ATOM   2856 O  O   . GLU C 3 46  ? -9.932  -55.302 -19.586 1.000 41.285  0 44  GLU FFF O   1 ? 10 
ATOM   2857 C  CB  . GLU C 3 46  ? -10.662 -53.768 -16.650 1.000 60.420  0 44  GLU FFF CB  1 ? 10 
ATOM   2858 C  CG  . GLU C 3 46  ? -11.612 -53.563 -15.473 1.000 74.008  0 44  GLU FFF CG  1 ? 10 
ATOM   2859 C  CD  . GLU C 3 46  ? -11.116 -52.651 -14.358 1.000 84.831  0 44  GLU FFF CD  1 ? 10 
ATOM   2860 O  OE1 . GLU C 3 46  ? -11.916 -51.803 -13.888 1.000 88.351  0 44  GLU FFF OE1 1 ? 10 
ATOM   2861 O  OE2 . GLU C 3 46  ? -9.936  -52.792 -13.951 1.000 91.015  0 44  GLU FFF OE2 1 ? 10 
ATOM   2862 N  N   . ARG C 3 47  ? -10.682 -53.178 -19.839 1.000 42.867  0 45  ARG FFF N   1 ? 10 
ATOM   2863 C  CA  . ARG C 3 47  ? -9.854  -52.828 -21.011 1.000 41.569  0 45  ARG FFF CA  1 ? 10 
ATOM   2864 C  C   . ARG C 3 47  ? -8.372  -52.764 -20.599 1.000 41.418  0 45  ARG FFF C   1 ? 10 
ATOM   2865 O  O   . ARG C 3 47  ? -8.005  -51.832 -19.861 1.000 44.519  0 45  ARG FFF O   1 ? 10 
ATOM   2866 C  CB  . ARG C 3 47  ? -10.346 -51.489 -21.550 1.000 41.222  0 45  ARG FFF CB  1 ? 10 
ATOM   2867 C  CG  . ARG C 3 47  ? -9.951  -51.266 -22.992 1.000 41.524  0 45  ARG FFF CG  1 ? 10 
ATOM   2868 C  CD  . ARG C 3 47  ? -10.670 -50.058 -23.529 1.000 43.248  0 45  ARG FFF CD  1 ? 10 
ATOM   2869 N  NE  . ARG C 3 47  ? -12.103 -50.218 -23.629 1.000 42.703  0 45  ARG FFF NE  1 ? 10 
ATOM   2870 C  CZ  . ARG C 3 47  ? -12.897 -49.418 -24.339 1.000 45.197  0 45  ARG FFF CZ  1 ? 10 
ATOM   2871 N  NH1 . ARG C 3 47  ? -12.399 -48.417 -25.049 1.000 45.815  0 45  ARG FFF NH1 1 ? 10 
ATOM   2872 N  NH2 . ARG C 3 47  ? -14.200 -49.613 -24.336 1.000 47.980  0 45  ARG FFF NH2 1 ? 10 
ATOM   2873 N  N   . GLU C 3 48  ? -7.534  -53.671 -21.105 1.000 37.309  0 46  GLU FFF N   1 ? 10 
ATOM   2874 C  CA  . GLU C 3 48  ? -6.108  -53.755 -20.708 1.000 38.502  0 46  GLU FFF CA  1 ? 10 
ATOM   2875 C  C   . GLU C 3 48  ? -5.214  -53.311 -21.872 1.000 36.765  0 46  GLU FFF C   1 ? 10 
ATOM   2876 O  O   . GLU C 3 48  ? -5.527  -53.588 -23.049 1.000 30.482  0 46  GLU FFF O   1 ? 10 
ATOM   2877 C  CB  . GLU C 3 48  ? -5.778  -55.148 -20.178 1.000 42.795  0 46  GLU FFF CB  1 ? 10 
ATOM   2878 C  CG  . GLU C 3 48  ? -5.789  -56.245 -21.228 1.000 50.861  0 46  GLU FFF CG  1 ? 10 
ATOM   2879 C  CD  . GLU C 3 48  ? -5.486  -57.648 -20.698 1.000 63.228  0 46  GLU FFF CD  1 ? 10 
ATOM   2880 O  OE1 . GLU C 3 48  ? -5.000  -58.512 -21.499 1.000 51.534  0 46  GLU FFF OE1 1 ? 10 
ATOM   2881 O  OE2 . GLU C 3 48  ? -5.730  -57.879 -19.469 1.000 72.918  0 46  GLU FFF OE2 1 ? 10 
ATOM   2882 N  N   . PHE C 3 49  ? -4.096  -52.693 -21.513 1.000 29.660  0 47  PHE FFF N   1 ? 11 
ATOM   2883 C  CA  . PHE C 3 49  ? -3.027  -52.262 -22.446 1.000 29.361  0 47  PHE FFF CA  1 ? 11 
ATOM   2884 C  C   . PHE C 3 49  ? -2.441  -53.488 -23.153 1.000 30.077  0 47  PHE FFF C   1 ? 11 
ATOM   2885 O  O   . PHE C 3 49  ? -2.091  -54.482 -22.504 1.000 29.807  0 47  PHE FFF O   1 ? 11 
ATOM   2886 C  CB  . PHE C 3 49  ? -1.950  -51.504 -21.667 1.000 31.653  0 47  PHE FFF CB  1 ? 11 
ATOM   2887 C  CG  . PHE C 3 49  ? -0.854  -51.057 -22.578 1.000 31.062  0 47  PHE FFF CG  1 ? 11 
ATOM   2888 C  CD1 . PHE C 3 49  ? -1.108  -50.052 -23.497 1.000 31.359  0 47  PHE FFF CD1 1 ? 11 
ATOM   2889 C  CD2 . PHE C 3 49  ? 0.337   -51.762 -22.653 1.000 31.271  0 47  PHE FFF CD2 1 ? 11 
ATOM   2890 C  CE1 . PHE C 3 49  ? -0.132  -49.660 -24.392 1.000 30.767  0 47  PHE FFF CE1 1 ? 11 
ATOM   2891 C  CE2 . PHE C 3 49  ? 1.311   -51.386 -23.566 1.000 31.850  0 47  PHE FFF CE2 1 ? 11 
ATOM   2892 C  CZ  . PHE C 3 49  ? 1.076   -50.332 -24.430 1.000 31.755  0 47  PHE FFF CZ  1 ? 11 
ATOM   2893 N  N   . VAL C 3 50  ? -2.264  -53.407 -24.466 1.000 29.173  0 48  VAL FFF N   1 ? 11 
ATOM   2894 C  CA  . VAL C 3 50  ? -1.596  -54.464 -25.280 1.000 30.980  0 48  VAL FFF CA  1 ? 11 
ATOM   2895 C  C   . VAL C 3 50  ? -0.226  -53.949 -25.732 1.000 31.254  0 48  VAL FFF C   1 ? 11 
ATOM   2896 O  O   . VAL C 3 50  ? 0.775   -54.620 -25.473 1.000 28.678  0 48  VAL FFF O   1 ? 11 
ATOM   2897 C  CB  . VAL C 3 50  ? -2.483  -54.850 -26.483 1.000 32.166  0 48  VAL FFF CB  1 ? 11 
ATOM   2898 C  CG1 . VAL C 3 50  ? -1.785  -55.854 -27.405 1.000 31.443  0 48  VAL FFF CG1 1 ? 11 
ATOM   2899 C  CG2 . VAL C 3 50  ? -3.804  -55.410 -25.974 1.000 34.449  0 48  VAL FFF CG2 1 ? 11 
ATOM   2900 N  N   . ALA C 3 51  ? -0.182  -52.847 -26.476 1.000 29.340  0 49  ALA FFF N   1 ? 11 
ATOM   2901 C  CA  . ALA C 3 51  ? 1.066   -52.392 -27.133 1.000 30.489  0 49  ALA FFF CA  1 ? 11 
ATOM   2902 C  C   . ALA C 3 51  ? 0.871   -50.973 -27.668 1.000 29.526  0 49  ALA FFF C   1 ? 11 
ATOM   2903 O  O   . ALA C 3 51  ? -0.256  -50.541 -27.852 1.000 30.100  0 49  ALA FFF O   1 ? 11 
ATOM   2904 C  CB  . ALA C 3 51  ? 1.472   -53.351 -28.242 1.000 31.635  0 49  ALA FFF CB  1 ? 11 
ATOM   2905 N  N   . GLY C 3 52  ? 1.954   -50.233 -27.819 1.000 28.697  0 50  GLY FFF N   1 ? 11 
ATOM   2906 C  CA  . GLY C 3 52  ? 1.852   -48.882 -28.373 1.000 26.506  0 50  GLY FFF CA  1 ? 11 
ATOM   2907 C  C   . GLY C 3 52  ? 3.109   -48.414 -29.044 1.000 25.828  0 50  GLY FFF C   1 ? 11 
ATOM   2908 O  O   . GLY C 3 52  ? 4.079   -49.152 -29.153 1.000 26.491  0 50  GLY FFF O   1 ? 11 
ATOM   2909 N  N   . MET C 3 53  ? 3.056   -47.177 -29.501 1.000 26.114  0 51  MET FFF N   1 ? 11 
ATOM   2910 C  CA  . MET C 3 53  ? 4.181   -46.529 -30.177 1.000 27.582  0 51  MET FFF CA  1 ? 11 
ATOM   2911 C  C   . MET C 3 53  ? 4.173   -45.069 -29.755 1.000 25.721  0 51  MET FFF C   1 ? 11 
ATOM   2912 O  O   . MET C 3 53  ? 3.084   -44.472 -29.704 1.000 25.450  0 51  MET FFF O   1 ? 11 
ATOM   2913 C  CB  . MET C 3 53  ? 4.006   -46.630 -31.695 1.000 25.862  0 51  MET FFF CB  1 ? 11 
ATOM   2914 C  CG  . MET C 3 53  ? 5.148   -46.016 -32.459 1.000 30.669  0 51  MET FFF CG  1 ? 11 
ATOM   2915 S  SD  . MET C 3 53  ? 4.885   -46.202 -34.265 1.000 34.617  0 51  MET FFF SD  1 ? 11 
ATOM   2916 C  CE  . MET C 3 53  ? 5.701   -47.754 -34.610 1.000 35.406  0 51  MET FFF CE  1 ? 11 
ATOM   2917 N  N   . ARG C 3 54  ? 5.351   -44.526 -29.532 1.000 25.415  0 52  ARG FFF N   1 ? 11 
ATOM   2918 C  CA  . ARG C 3 54  ? 5.520   -43.081 -29.285 1.000 27.815  0 52  ARG FFF CA  1 ? 11 
ATOM   2919 C  C   . ARG C 3 54  ? 5.245   -42.300 -30.575 1.000 30.622  0 52  ARG FFF C   1 ? 11 
ATOM   2920 O  O   . ARG C 3 54  ? 5.455   -42.849 -31.686 1.000 27.463  0 52  ARG FFF O   1 ? 11 
ATOM   2921 C  CB  . ARG C 3 54  ? 6.924   -42.807 -28.761 1.000 28.795  0 52  ARG FFF CB  1 ? 11 
ATOM   2922 C  CG  . ARG C 3 54  ? 7.245   -43.495 -27.441 1.000 30.337  0 52  ARG FFF CG  1 ? 11 
ATOM   2923 C  CD  . ARG C 3 54  ? 6.479   -43.013 -26.227 1.000 28.839  0 52  ARG FFF CD  1 ? 11 
ATOM   2924 N  NE  . ARG C 3 54  ? 6.877   -43.730 -25.016 1.000 29.120  0 52  ARG FFF NE  1 ? 11 
ATOM   2925 C  CZ  . ARG C 3 54  ? 6.384   -43.481 -23.788 1.000 28.667  0 52  ARG FFF CZ  1 ? 11 
ATOM   2926 N  NH1 . ARG C 3 54  ? 5.557   -42.473 -23.580 1.000 28.834  0 52  ARG FFF NH1 1 ? 11 
ATOM   2927 N  NH2 . ARG C 3 54  ? 6.777   -44.213 -22.764 1.000 28.578  0 52  ARG FFF NH2 1 ? 11 
ATOM   2928 N  N   . TRP C 3 55  ? 4.855   -41.032 -30.418 1.000 28.800  0 53  TRP FFF N   1 ? 11 
ATOM   2929 C  CA  . TRP C 3 55  ? 4.584   -40.120 -31.556 1.000 29.989  0 53  TRP FFF CA  1 ? 11 
ATOM   2930 C  C   . TRP C 3 55  ? 5.821   -40.022 -32.453 1.000 31.084  0 53  TRP FFF C   1 ? 11 
ATOM   2931 O  O   . TRP C 3 55  ? 5.650   -39.777 -33.638 1.000 30.728  0 53  TRP FFF O   1 ? 11 
ATOM   2932 C  CB  . TRP C 3 55  ? 4.199   -38.739 -31.050 1.000 28.855  0 53  TRP FFF CB  1 ? 11 
ATOM   2933 C  CG  . TRP C 3 55  ? 5.356   -37.924 -30.560 1.000 30.205  0 53  TRP FFF CG  1 ? 11 
ATOM   2934 C  CD1 . TRP C 3 55  ? 6.125   -37.087 -31.325 1.000 33.493  0 53  TRP FFF CD1 1 ? 11 
ATOM   2935 C  CD2 . TRP C 3 55  ? 5.812   -37.757 -29.207 1.000 29.382  0 53  TRP FFF CD2 1 ? 11 
ATOM   2936 N  NE1 . TRP C 3 55  ? 7.030   -36.435 -30.542 1.000 32.877  0 53  TRP FFF NE1 1 ? 11 
ATOM   2937 C  CE2 . TRP C 3 55  ? 6.869   -36.822 -29.242 1.000 30.376  0 53  TRP FFF CE2 1 ? 11 
ATOM   2938 C  CE3 . TRP C 3 55  ? 5.427   -38.282 -27.969 1.000 30.094  0 53  TRP FFF CE3 1 ? 11 
ATOM   2939 C  CZ2 . TRP C 3 55  ? 7.559   -36.424 -28.101 1.000 31.369  0 53  TRP FFF CZ2 1 ? 11 
ATOM   2940 C  CZ3 . TRP C 3 55  ? 6.103   -37.887 -26.845 1.000 31.612  0 53  TRP FFF CZ3 1 ? 11 
ATOM   2941 C  CH2 . TRP C 3 55  ? 7.149   -36.961 -26.911 1.000 32.895  0 53  TRP FFF CH2 1 ? 11 
ATOM   2942 N  N   . THR C 3 56  ? 7.008   -40.247 -31.898 1.000 30.431  0 54  THR FFF N   1 ? 11 
ATOM   2943 C  CA  . THR C 3 56  ? 8.312   -40.205 -32.623 1.000 33.829  0 54  THR FFF CA  1 ? 11 
ATOM   2944 C  C   . THR C 3 56  ? 8.373   -41.275 -33.722 1.000 31.489  0 54  THR FFF C   1 ? 11 
ATOM   2945 O  O   . THR C 3 56  ? 9.199   -41.142 -34.548 1.000 32.475  0 54  THR FFF O   1 ? 11 
ATOM   2946 C  CB  . THR C 3 56  ? 9.504   -40.458 -31.683 1.000 37.041  0 54  THR FFF CB  1 ? 11 
ATOM   2947 O  OG1 . THR C 3 56  ? 9.367   -41.797 -31.199 1.000 36.244  0 54  THR FFF OG1 1 ? 11 
ATOM   2948 C  CG2 . THR C 3 56  ? 9.599   -39.491 -30.522 1.000 37.414  0 54  THR FFF CG2 1 ? 11 
ATOM   2949 N  N   . GLY C 3 57  ? 7.605   -42.359 -33.633 1.000 31.346  0 55  GLY FFF N   1 ? 11 
ATOM   2950 C  CA  . GLY C 3 57  ? 7.680   -43.522 -34.531 1.000 33.206  0 55  GLY FFF CA  1 ? 11 
ATOM   2951 C  C   . GLY C 3 57  ? 8.920   -44.397 -34.340 1.000 35.794  0 55  GLY FFF C   1 ? 11 
ATOM   2952 O  O   . GLY C 3 57  ? 9.001   -45.418 -35.037 1.000 37.819  0 55  GLY FFF O   1 ? 11 
ATOM   2953 N  N   . SER C 3 58  ? 9.840   -44.057 -33.436 1.000 32.685  0 56  SER FFF N   1 ? 11 
ATOM   2954 C  CA  . SER C 3 58  ? 11.094  -44.821 -33.211 1.000 34.299  0 56  SER FFF CA  1 ? 11 
ATOM   2955 C  C   . SER C 3 58  ? 11.073  -45.575 -31.870 1.000 32.159  0 56  SER FFF C   1 ? 11 
ATOM   2956 O  O   . SER C 3 58  ? 12.157  -46.002 -31.416 1.000 38.713  0 56  SER FFF O   1 ? 11 
ATOM   2957 C  CB  . SER C 3 58  ? 12.270  -43.899 -33.265 1.000 36.122  0 56  SER FFF CB  1 ? 11 
ATOM   2958 O  OG  . SER C 3 58  ? 12.185  -42.951 -32.206 1.000 37.910  0 56  SER FFF OG  1 ? 11 
ATOM   2959 N  N   . SER C 3 59  ? 9.931   -45.670 -31.207 1.000 28.847  0 57  SER FFF N   1 ? 11 
ATOM   2960 C  CA  . SER C 3 59  ? 9.798   -46.457 -29.957 1.000 29.494  0 57  SER FFF CA  1 ? 11 
ATOM   2961 C  C   . SER C 3 59  ? 8.463   -47.177 -29.916 1.000 26.997  0 57  SER FFF C   1 ? 11 
ATOM   2962 O  O   . SER C 3 59  ? 7.416   -46.513 -30.094 1.000 28.443  0 57  SER FFF O   1 ? 11 
ATOM   2963 C  CB  . SER C 3 59  ? 9.967   -45.594 -28.732 1.000 34.335  0 57  SER FFF CB  1 ? 11 
ATOM   2964 O  OG  . SER C 3 59  ? 9.502   -46.315 -27.601 1.000 32.855  0 57  SER FFF OG  1 ? 11 
ATOM   2965 N  N   . THR C 3 60  ? 8.495   -48.487 -29.679 1.000 26.383  0 58  THR FFF N   1 ? 11 
ATOM   2966 C  CA  . THR C 3 60  ? 7.299   -49.329 -29.467 1.000 26.046  0 58  THR FFF CA  1 ? 11 
ATOM   2967 C  C   . THR C 3 60  ? 7.442   -49.990 -28.098 1.000 26.506  0 58  THR FFF C   1 ? 11 
ATOM   2968 O  O   . THR C 3 60  ? 8.562   -50.085 -27.577 1.000 27.184  0 58  THR FFF O   1 ? 11 
ATOM   2969 C  CB  . THR C 3 60  ? 7.103   -50.333 -30.606 1.000 28.799  0 58  THR FFF CB  1 ? 11 
ATOM   2970 O  OG1 . THR C 3 60  ? 8.279   -51.138 -30.640 1.000 32.604  0 58  THR FFF OG1 1 ? 11 
ATOM   2971 C  CG2 . THR C 3 60  ? 6.874   -49.656 -31.943 1.000 30.105  0 58  THR FFF CG2 1 ? 11 
ATOM   2972 N  N   . PHE C 3 61  ? 6.352   -50.467 -27.544 1.000 26.001  0 59  PHE FFF N   1 ? 11 
ATOM   2973 C  CA  . PHE C 3 61  ? 6.369   -51.088 -26.198 1.000 26.935  0 59  PHE FFF CA  1 ? 11 
ATOM   2974 C  C   . PHE C 3 61  ? 5.185   -52.042 -26.100 1.000 25.738  0 59  PHE FFF C   1 ? 11 
ATOM   2975 O  O   . PHE C 3 61  ? 4.169   -51.833 -26.790 1.000 28.231  0 59  PHE FFF O   1 ? 11 
ATOM   2976 C  CB  . PHE C 3 61  ? 6.382   -49.994 -25.121 1.000 27.175  0 59  PHE FFF CB  1 ? 11 
ATOM   2977 C  CG  . PHE C 3 61  ? 5.481   -48.822 -25.408 1.000 28.336  0 59  PHE FFF CG  1 ? 11 
ATOM   2978 C  CD1 . PHE C 3 61  ? 4.154   -48.836 -25.016 1.000 29.448  0 59  PHE FFF CD1 1 ? 11 
ATOM   2979 C  CD2 . PHE C 3 61  ? 5.968   -47.686 -26.039 1.000 29.690  0 59  PHE FFF CD2 1 ? 11 
ATOM   2980 C  CE1 . PHE C 3 61  ? 3.317   -47.759 -25.258 1.000 27.907  0 59  PHE FFF CE1 1 ? 11 
ATOM   2981 C  CE2 . PHE C 3 61  ? 5.114   -46.636 -26.332 1.000 29.856  0 59  PHE FFF CE2 1 ? 11 
ATOM   2982 C  CZ  . PHE C 3 61  ? 3.794   -46.676 -25.944 1.000 28.783  0 59  PHE FFF CZ  1 ? 11 
ATOM   2983 N  N   . TYR C 3 62  ? 5.327   -53.050 -25.249 1.000 26.796  0 60  TYR FFF N   1 ? 11 
ATOM   2984 C  CA  . TYR C 3 62  ? 4.433   -54.230 -25.204 1.000 27.895  0 60  TYR FFF CA  1 ? 11 
ATOM   2985 C  C   . TYR C 3 62  ? 4.162   -54.654 -23.761 1.000 29.096  0 60  TYR FFF C   1 ? 11 
ATOM   2986 O  O   . TYR C 3 62  ? 5.118   -54.744 -22.993 1.000 26.362  0 60  TYR FFF O   1 ? 11 
ATOM   2987 C  CB  . TYR C 3 62  ? 5.110   -55.377 -25.949 1.000 29.484  0 60  TYR FFF CB  1 ? 11 
ATOM   2988 C  CG  . TYR C 3 62  ? 5.472   -54.996 -27.350 1.000 28.355  0 60  TYR FFF CG  1 ? 11 
ATOM   2989 C  CD1 . TYR C 3 62  ? 4.511   -55.031 -28.351 1.000 30.190  0 60  TYR FFF CD1 1 ? 11 
ATOM   2990 C  CD2 . TYR C 3 62  ? 6.719   -54.461 -27.652 1.000 31.497  0 60  TYR FFF CD2 1 ? 11 
ATOM   2991 C  CE1 . TYR C 3 62  ? 4.809   -54.629 -29.636 1.000 30.617  0 60  TYR FFF CE1 1 ? 11 
ATOM   2992 C  CE2 . TYR C 3 62  ? 7.034   -54.043 -28.945 1.000 30.072  0 60  TYR FFF CE2 1 ? 11 
ATOM   2993 C  CZ  . TYR C 3 62  ? 6.080   -54.158 -29.941 1.000 32.941  0 60  TYR FFF CZ  1 ? 11 
ATOM   2994 O  OH  . TYR C 3 62  ? 6.358   -53.751 -31.212 1.000 31.675  0 60  TYR FFF OH  1 ? 11 
ATOM   2995 N  N   . SER C 3 63  ? 2.911   -55.002 -23.465 1.000 31.638  0 61  SER FFF N   1 ? 11 
ATOM   2996 C  CA  . SER C 3 63  ? 2.529   -55.729 -22.232 1.000 33.840  0 61  SER FFF CA  1 ? 11 
ATOM   2997 C  C   . SER C 3 63  ? 3.296   -57.040 -22.209 1.000 30.740  0 61  SER FFF C   1 ? 11 
ATOM   2998 O  O   . SER C 3 63  ? 3.589   -57.617 -23.296 1.000 29.786  0 61  SER FFF O   1 ? 11 
ATOM   2999 C  CB  . SER C 3 63  ? 1.053   -55.989 -22.156 1.000 36.913  0 61  SER FFF CB  1 ? 11 
ATOM   3000 O  OG  . SER C 3 63  ? 0.685   -56.905 -23.149 1.000 44.695  0 61  SER FFF OG  1 ? 11 
ATOM   3001 N  N   . ASP C 3 64  ? 3.496   -57.545 -21.015 1.000 28.788  0 62  ASP FFF N   1 ? 11 
ATOM   3002 C  CA  . ASP C 3 64  ? 4.186   -58.828 -20.770 1.000 32.052  0 62  ASP FFF CA  1 ? 11 
ATOM   3003 C  C   . ASP C 3 64  ? 3.395   -59.961 -21.424 1.000 32.845  0 62  ASP FFF C   1 ? 11 
ATOM   3004 O  O   . ASP C 3 64  ? 4.006   -60.949 -21.760 1.000 31.546  0 62  ASP FFF O   1 ? 11 
ATOM   3005 C  CB  . ASP C 3 64  ? 4.329   -59.122 -19.274 1.000 32.056  0 62  ASP FFF CB  1 ? 11 
ATOM   3006 C  CG  . ASP C 3 64  ? 5.263   -58.186 -18.519 1.000 34.409  0 62  ASP FFF CG  1 ? 11 
ATOM   3007 O  OD1 . ASP C 3 64  ? 5.993   -57.394 -19.168 1.000 36.488  0 62  ASP FFF OD1 1 ? 11 
ATOM   3008 O  OD2 . ASP C 3 64  ? 5.284   -58.287 -17.272 1.000 31.681  0 62  ASP FFF OD2 1 ? 11 
ATOM   3009 N  N   . SER C 3 65  ? 2.080   -59.863 -21.545 1.000 31.563  0 63  SER FFF N   1 ? 11 
ATOM   3010 C  CA  . SER C 3 65  ? 1.304   -61.003 -22.096 1.000 37.208  0 63  SER FFF CA  1 ? 11 
ATOM   3011 C  C   . SER C 3 65  ? 1.560   -61.131 -23.603 1.000 35.638  0 63  SER FFF C   1 ? 11 
ATOM   3012 O  O   . SER C 3 65  ? 1.319   -62.212 -24.121 1.000 37.652  0 63  SER FFF O   1 ? 11 
ATOM   3013 C  CB  . SER C 3 65  ? -0.146  -60.869 -21.806 1.000 39.796  0 63  SER FFF CB  1 ? 11 
ATOM   3014 O  OG  . SER C 3 65  ? -0.609  -59.672 -22.403 1.000 53.362  0 63  SER FFF OG  1 ? 11 
ATOM   3015 N  N   . VAL C 3 66  ? 1.986   -60.084 -24.315 1.000 36.824  0 64  VAL FFF N   1 ? 11 
ATOM   3016 C  CA  . VAL C 3 66  ? 2.092   -60.177 -25.809 1.000 32.762  0 64  VAL FFF CA  1 ? 11 
ATOM   3017 C  C   . VAL C 3 66  ? 3.530   -59.974 -26.291 1.000 32.931  0 64  VAL FFF C   1 ? 11 
ATOM   3018 O  O   . VAL C 3 66  ? 3.749   -60.168 -27.514 1.000 32.579  0 64  VAL FFF O   1 ? 11 
ATOM   3019 C  CB  . VAL C 3 66  ? 1.117   -59.240 -26.547 1.000 31.969  0 64  VAL FFF CB  1 ? 11 
ATOM   3020 C  CG1 . VAL C 3 66  ? -0.328  -59.428 -26.092 1.000 32.409  0 64  VAL FFF CG1 1 ? 11 
ATOM   3021 C  CG2 . VAL C 3 66  ? 1.525   -57.784 -26.474 1.000 30.095  0 64  VAL FFF CG2 1 ? 11 
ATOM   3022 N  N   . LYS C 3 67  ? 4.475   -59.617 -25.418 1.000 32.538  0 65  LYS FFF N   1 ? 11 
ATOM   3023 C  CA  . LYS C 3 67  ? 5.851   -59.286 -25.856 1.000 35.038  0 65  LYS FFF CA  1 ? 11 
ATOM   3024 C  C   . LYS C 3 67  ? 6.498   -60.507 -26.527 1.000 35.281  0 65  LYS FFF C   1 ? 11 
ATOM   3025 O  O   . LYS C 3 67  ? 6.378   -61.605 -26.005 1.000 37.240  0 65  LYS FFF O   1 ? 11 
ATOM   3026 C  CB  . LYS C 3 67  ? 6.747   -58.780 -24.726 1.000 42.225  0 65  LYS FFF CB  1 ? 11 
ATOM   3027 C  CG  . LYS C 3 67  ? 8.042   -58.183 -25.251 1.000 42.206  0 65  LYS FFF CG  1 ? 11 
ATOM   3028 C  CD  . LYS C 3 67  ? 8.797   -57.429 -24.236 1.000 46.993  0 65  LYS FFF CD  1 ? 11 
ATOM   3029 C  CE  . LYS C 3 67  ? 10.153  -56.988 -24.727 1.000 47.696  0 65  LYS FFF CE  1 ? 11 
ATOM   3030 N  NZ  . LYS C 3 67  ? 10.060  -55.676 -25.376 1.000 53.824  0 65  LYS FFF NZ  1 ? 11 
ATOM   3031 N  N   . GLY C 3 68  ? 7.123   -60.305 -27.681 1.000 36.589  0 66  GLY FFF N   1 ? 11 
ATOM   3032 C  CA  . GLY C 3 68  ? 7.771   -61.378 -28.460 1.000 39.031  0 66  GLY FFF CA  1 ? 11 
ATOM   3033 C  C   . GLY C 3 68  ? 6.788   -62.086 -29.373 1.000 42.219  0 66  GLY FFF C   1 ? 11 
ATOM   3034 O  O   . GLY C 3 68  ? 7.234   -62.902 -30.170 1.000 44.886  0 66  GLY FFF O   1 ? 11 
ATOM   3035 N  N   . ARG C 3 69  ? 5.494   -61.773 -29.294 1.000 38.666  0 67  ARG FFF N   1 ? 11 
ATOM   3036 C  CA  . ARG C 3 69  ? 4.467   -62.389 -30.169 1.000 37.040  0 67  ARG FFF CA  1 ? 11 
ATOM   3037 C  C   . ARG C 3 69  ? 3.847   -61.298 -31.039 1.000 34.909  0 67  ARG FFF C   1 ? 11 
ATOM   3038 O  O   . ARG C 3 69  ? 3.547   -61.579 -32.200 1.000 35.874  0 67  ARG FFF O   1 ? 11 
ATOM   3039 C  CB  . ARG C 3 69  ? 3.382   -63.089 -29.349 1.000 37.979  0 67  ARG FFF CB  1 ? 11 
ATOM   3040 C  CG  . ARG C 3 69  ? 3.884   -64.251 -28.505 1.000 38.577  0 67  ARG FFF CG  1 ? 11 
ATOM   3041 C  CD  . ARG C 3 69  ? 2.753   -65.123 -28.004 1.000 38.560  0 67  ARG FFF CD  1 ? 11 
ATOM   3042 N  NE  . ARG C 3 69  ? 1.884   -64.349 -27.136 1.000 38.215  0 67  ARG FFF NE  1 ? 11 
ATOM   3043 C  CZ  . ARG C 3 69  ? 0.591   -64.125 -27.320 1.000 38.935  0 67  ARG FFF CZ  1 ? 11 
ATOM   3044 N  NH1 . ARG C 3 69  ? -0.036  -64.612 -28.370 1.000 38.609  0 67  ARG FFF NH1 1 ? 11 
ATOM   3045 N  NH2 . ARG C 3 69  ? -0.083  -63.413 -26.435 1.000 40.176  0 67  ARG FFF NH2 1 ? 11 
ATOM   3046 N  N   . PHE C 3 70  ? 3.581   -60.125 -30.483 1.000 32.415  0 68  PHE FFF N   1 ? 11 
ATOM   3047 C  CA  . PHE C 3 70  ? 2.923   -59.019 -31.227 1.000 32.847  0 68  PHE FFF CA  1 ? 11 
ATOM   3048 C  C   . PHE C 3 70  ? 3.974   -57.971 -31.558 1.000 31.419  0 68  PHE FFF C   1 ? 11 
ATOM   3049 O  O   . PHE C 3 70  ? 4.915   -57.806 -30.782 1.000 32.875  0 68  PHE FFF O   1 ? 11 
ATOM   3050 C  CB  . PHE C 3 70  ? 1.809   -58.353 -30.431 1.000 31.564  0 68  PHE FFF CB  1 ? 11 
ATOM   3051 C  CG  . PHE C 3 70  ? 0.550   -59.146 -30.172 1.000 33.077  0 68  PHE FFF CG  1 ? 11 
ATOM   3052 C  CD1 . PHE C 3 70  ? 0.475   -60.520 -30.353 1.000 34.175  0 68  PHE FFF CD1 1 ? 11 
ATOM   3053 C  CD2 . PHE C 3 70  ? -0.568  -58.494 -29.677 1.000 31.706  0 68  PHE FFF CD2 1 ? 11 
ATOM   3054 C  CE1 . PHE C 3 70  ? -0.694  -61.215 -30.087 1.000 36.370  0 68  PHE FFF CE1 1 ? 11 
ATOM   3055 C  CE2 . PHE C 3 70  ? -1.742  -59.186 -29.417 1.000 33.460  0 68  PHE FFF CE2 1 ? 11 
ATOM   3056 C  CZ  . PHE C 3 70  ? -1.796  -60.552 -29.593 1.000 35.347  0 68  PHE FFF CZ  1 ? 11 
ATOM   3057 N  N   . THR C 3 71  ? 3.822   -57.274 -32.670 1.000 31.779  0 69  THR FFF N   1 ? 11 
ATOM   3058 C  CA  A THR C 3 71  ? 4.682   -56.124 -33.056 0.500 33.292  0 69  THR FFF CA  1 ? 11 
ATOM   3059 C  CA  B THR C 3 71  ? 4.667   -56.092 -32.968 0.500 30.567  0 69  THR FFF CA  1 ? 11 
ATOM   3060 C  C   . THR C 3 71  ? 3.761   -54.957 -33.437 1.000 31.745  0 69  THR FFF C   1 ? 11 
ATOM   3061 O  O   . THR C 3 71  ? 2.668   -55.234 -33.983 1.000 31.827  0 69  THR FFF O   1 ? 11 
ATOM   3062 C  CB  A THR C 3 71  ? 5.633   -56.503 -34.204 0.500 38.900  0 69  THR FFF CB  1 ? 11 
ATOM   3063 C  CB  B THR C 3 71  ? 5.788   -56.389 -33.975 0.500 32.302  0 69  THR FFF CB  1 ? 11 
ATOM   3064 O  OG1 A THR C 3 71  ? 6.362   -57.687 -33.874 0.500 44.080  0 69  THR FFF OG1 1 ? 11 
ATOM   3065 O  OG1 B THR C 3 71  ? 5.206   -56.774 -35.221 0.500 29.132  0 69  THR FFF OG1 1 ? 11 
ATOM   3066 C  CG2 A THR C 3 71  ? 6.640   -55.419 -34.526 0.500 40.738  0 69  THR FFF CG2 1 ? 11 
ATOM   3067 C  CG2 B THR C 3 71  ? 6.770   -57.432 -33.482 0.500 33.454  0 69  THR FFF CG2 1 ? 11 
ATOM   3068 N  N   . VAL C 3 72  ? 4.195   -53.737 -33.180 1.000 29.795  0 70  VAL FFF N   1 ? 11 
ATOM   3069 C  CA  . VAL C 3 72  ? 3.530   -52.503 -33.666 1.000 33.062  0 70  VAL FFF CA  1 ? 11 
ATOM   3070 C  C   . VAL C 3 72  ? 4.448   -51.856 -34.700 1.000 30.587  0 70  VAL FFF C   1 ? 11 
ATOM   3071 O  O   . VAL C 3 72  ? 5.670   -51.759 -34.455 1.000 31.411  0 70  VAL FFF O   1 ? 11 
ATOM   3072 C  CB  . VAL C 3 72  ? 3.197   -51.555 -32.504 1.000 32.090  0 70  VAL FFF CB  1 ? 11 
ATOM   3073 C  CG1 . VAL C 3 72  ? 2.522   -50.282 -32.988 1.000 34.722  0 70  VAL FFF CG1 1 ? 11 
ATOM   3074 C  CG2 . VAL C 3 72  ? 2.290   -52.256 -31.509 1.000 36.907  0 70  VAL FFF CG2 1 ? 11 
ATOM   3075 N  N   . SER C 3 73  ? 3.896   -51.421 -35.819 1.000 29.907  0 71  SER FFF N   1 ? 11 
ATOM   3076 C  CA  . SER C 3 73  ? 4.663   -50.632 -36.811 1.000 28.842  0 71  SER FFF CA  1 ? 11 
ATOM   3077 C  C   . SER C 3 73  ? 3.794   -49.484 -37.335 1.000 28.845  0 71  SER FFF C   1 ? 11 
ATOM   3078 O  O   . SER C 3 73  ? 2.564   -49.460 -37.054 1.000 30.026  0 71  SER FFF O   1 ? 11 
ATOM   3079 C  CB  . SER C 3 73  ? 5.183   -51.499 -37.918 1.000 32.108  0 71  SER FFF CB  1 ? 11 
ATOM   3080 O  OG  . SER C 3 73  ? 4.098   -51.940 -38.733 1.000 31.791  0 71  SER FFF OG  1 ? 11 
ATOM   3081 N  N   . ARG C 3 74  ? 4.419   -48.558 -38.061 1.000 29.445  0 72  ARG FFF N   1 ? 11 
ATOM   3082 C  CA  . ARG C 3 74  ? 3.740   -47.375 -38.653 1.000 30.615  0 72  ARG FFF CA  1 ? 11 
ATOM   3083 C  C   . ARG C 3 74  ? 4.295   -47.153 -40.064 1.000 29.409  0 72  ARG FFF C   1 ? 11 
ATOM   3084 O  O   . ARG C 3 74  ? 5.536   -47.373 -40.289 1.000 30.337  0 72  ARG FFF O   1 ? 11 
ATOM   3085 C  CB  . ARG C 3 74  ? 3.947   -46.186 -37.710 1.000 30.567  0 72  ARG FFF CB  1 ? 11 
ATOM   3086 C  CG  . ARG C 3 74  ? 3.184   -44.929 -38.110 1.000 33.509  0 72  ARG FFF CG  1 ? 11 
ATOM   3087 C  CD  . ARG C 3 74  ? 3.429   -43.818 -37.099 1.000 33.672  0 72  ARG FFF CD  1 ? 11 
ATOM   3088 N  NE  . ARG C 3 74  ? 4.699   -43.154 -37.255 1.000 31.428  0 72  ARG FFF NE  1 ? 11 
ATOM   3089 C  CZ  . ARG C 3 74  ? 5.124   -42.145 -36.505 1.000 32.730  0 72  ARG FFF CZ  1 ? 11 
ATOM   3090 N  NH1 . ARG C 3 74  ? 4.396   -41.701 -35.494 1.000 36.724  0 72  ARG FFF NH1 1 ? 11 
ATOM   3091 N  NH2 . ARG C 3 74  ? 6.289   -41.594 -36.766 1.000 33.176  0 72  ARG FFF NH2 1 ? 11 
ATOM   3092 N  N   . ASN C 3 75  ? 3.431   -46.781 -41.005 1.000 28.549  0 73  ASN FFF N   1 ? 11 
ATOM   3093 C  CA  . ASN C 3 75  ? 3.820   -46.666 -42.430 1.000 30.578  0 73  ASN FFF CA  1 ? 11 
ATOM   3094 C  C   . ASN C 3 75  ? 4.707   -45.426 -42.567 1.000 30.196  0 73  ASN FFF C   1 ? 11 
ATOM   3095 O  O   . ASN C 3 75  ? 4.788   -44.637 -41.598 1.000 29.725  0 73  ASN FFF O   1 ? 11 
ATOM   3096 C  CB  . ASN C 3 75  ? 2.598   -46.667 -43.355 1.000 30.837  0 73  ASN FFF CB  1 ? 11 
ATOM   3097 C  CG  . ASN C 3 75  ? 1.648   -45.507 -43.131 1.000 31.927  0 73  ASN FFF CG  1 ? 11 
ATOM   3098 O  OD1 . ASN C 3 75  ? 1.757   -44.777 -42.148 1.000 28.303  0 73  ASN FFF OD1 1 ? 11 
ATOM   3099 N  ND2 . ASN C 3 75  ? 0.755   -45.280 -44.084 1.000 32.677  0 73  ASN FFF ND2 1 ? 11 
ATOM   3100 N  N   . ASN C 3 76  ? 5.335   -45.251 -43.721 1.000 31.223  0 74  ASN FFF N   1 ? 11 
ATOM   3101 C  CA  . ASN C 3 76  ? 6.242   -44.111 -44.018 1.000 32.527  0 74  ASN FFF CA  1 ? 11 
ATOM   3102 C  C   . ASN C 3 76  ? 5.465   -42.800 -43.936 1.000 32.491  0 74  ASN FFF C   1 ? 11 
ATOM   3103 O  O   . ASN C 3 76  ? 6.064   -41.806 -43.516 1.000 33.179  0 74  ASN FFF O   1 ? 11 
ATOM   3104 C  CB  . ASN C 3 76  ? 6.911   -44.280 -45.388 1.000 36.927  0 74  ASN FFF CB  1 ? 11 
ATOM   3105 C  CG  . ASN C 3 76  ? 7.977   -45.352 -45.301 1.000 41.934  0 74  ASN FFF CG  1 ? 11 
ATOM   3106 O  OD1 . ASN C 3 76  ? 8.338   -45.780 -44.205 1.000 44.259  0 74  ASN FFF OD1 1 ? 11 
ATOM   3107 N  ND2 . ASN C 3 76  ? 8.484   -45.802 -46.431 1.000 46.914  0 74  ASN FFF ND2 1 ? 11 
ATOM   3108 N  N   . ALA C 3 77  ? 4.182   -42.788 -44.312 1.000 29.578  0 75  ALA FFF N   1 ? 11 
ATOM   3109 C  CA  . ALA C 3 77  ? 3.336   -41.565 -44.299 1.000 30.643  0 75  ALA FFF CA  1 ? 11 
ATOM   3110 C  C   . ALA C 3 77  ? 3.022   -41.117 -42.859 1.000 30.851  0 75  ALA FFF C   1 ? 11 
ATOM   3111 O  O   . ALA C 3 77  ? 2.571   -39.980 -42.690 1.000 30.733  0 75  ALA FFF O   1 ? 11 
ATOM   3112 C  CB  . ALA C 3 77  ? 2.067   -41.813 -45.057 1.000 31.551  0 75  ALA FFF CB  1 ? 11 
ATOM   3113 N  N   . LYS C 3 78  ? 3.222   -42.005 -41.880 1.000 29.720  0 76  LYS FFF N   1 ? 11 
ATOM   3114 C  CA  . LYS C 3 78  ? 2.991   -41.803 -40.431 1.000 30.470  0 76  LYS FFF CA  1 ? 11 
ATOM   3115 C  C   . LYS C 3 78  ? 1.494   -41.615 -40.146 1.000 28.645  0 76  LYS FFF C   1 ? 11 
ATOM   3116 O  O   . LYS C 3 78  ? 1.165   -41.065 -39.101 1.000 31.047  0 76  LYS FFF O   1 ? 11 
ATOM   3117 C  CB  . LYS C 3 78  ? 3.790   -40.607 -39.912 1.000 31.653  0 76  LYS FFF CB  1 ? 11 
ATOM   3118 C  CG  . LYS C 3 78  ? 5.278   -40.625 -40.203 1.000 35.477  0 76  LYS FFF CG  1 ? 11 
ATOM   3119 C  CD  . LYS C 3 78  ? 5.947   -39.314 -39.845 1.000 41.374  0 76  LYS FFF CD  1 ? 11 
ATOM   3120 C  CE  . LYS C 3 78  ? 7.425   -39.309 -40.165 1.000 52.710  0 76  LYS FFF CE  1 ? 11 
ATOM   3121 N  NZ  . LYS C 3 78  ? 8.081   -38.062 -39.694 1.000 66.713  0 76  LYS FFF NZ  1 ? 11 
ATOM   3122 N  N   . ASP C 3 79  ? 0.609   -42.124 -40.991 1.000 29.043  0 77  ASP FFF N   1 ? 11 
ATOM   3123 C  CA  . ASP C 3 79  ? -0.858  -41.934 -40.812 1.000 26.812  0 77  ASP FFF CA  1 ? 11 
ATOM   3124 C  C   . ASP C 3 79  ? -1.549  -43.267 -40.496 1.000 27.336  0 77  ASP FFF C   1 ? 11 
ATOM   3125 O  O   . ASP C 3 79  ? -2.768  -43.263 -40.255 1.000 28.673  0 77  ASP FFF O   1 ? 11 
ATOM   3126 C  CB  . ASP C 3 79  ? -1.453  -41.242 -42.030 1.000 28.519  0 77  ASP FFF CB  1 ? 11 
ATOM   3127 C  CG  . ASP C 3 79  ? -1.342  -42.034 -43.323 1.000 32.338  0 77  ASP FFF CG  1 ? 11 
ATOM   3128 O  OD1 . ASP C 3 79  ? -1.116  -43.285 -43.274 1.000 33.555  0 77  ASP FFF OD1 1 ? 11 
ATOM   3129 O  OD2 . ASP C 3 79  ? -1.440  -41.385 -44.364 1.000 31.081  0 77  ASP FFF OD2 1 ? 11 
ATOM   3130 N  N   . THR C 3 80  ? -0.817  -44.374 -40.432 1.000 27.328  0 78  THR FFF N   1 ? 11 
ATOM   3131 C  CA  . THR C 3 80  ? -1.432  -45.700 -40.205 1.000 27.653  0 78  THR FFF CA  1 ? 11 
ATOM   3132 C  C   . THR C 3 80  ? -0.509  -46.524 -39.313 1.000 27.346  0 78  THR FFF C   1 ? 11 
ATOM   3133 O  O   . THR C 3 80  ? 0.675   -46.658 -39.604 1.000 28.491  0 78  THR FFF O   1 ? 11 
ATOM   3134 C  CB  . THR C 3 80  ? -1.759  -46.442 -41.510 1.000 29.476  0 78  THR FFF CB  1 ? 11 
ATOM   3135 O  OG1 . THR C 3 80  ? -2.475  -45.573 -42.392 1.000 32.860  0 78  THR FFF OG1 1 ? 11 
ATOM   3136 C  CG2 . THR C 3 80  ? -2.575  -47.691 -41.247 1.000 30.171  0 78  THR FFF CG2 1 ? 11 
ATOM   3137 N  N   . VAL C 3 81  ? -1.064  -47.015 -38.224 1.000 27.895  0 79  VAL FFF N   1 ? 11 
ATOM   3138 C  CA  . VAL C 3 81  ? -0.337  -47.863 -37.270 1.000 26.876  0 79  VAL FFF CA  1 ? 11 
ATOM   3139 C  C   . VAL C 3 81  ? -0.936  -49.262 -37.301 1.000 26.913  0 79  VAL FFF C   1 ? 11 
ATOM   3140 O  O   . VAL C 3 81  ? -2.157  -49.416 -37.419 1.000 28.615  0 79  VAL FFF O   1 ? 11 
ATOM   3141 C  CB  . VAL C 3 81  ? -0.388  -47.241 -35.877 1.000 26.386  0 79  VAL FFF CB  1 ? 11 
ATOM   3142 C  CG1 . VAL C 3 81  ? 0.301   -48.154 -34.889 1.000 31.121  0 79  VAL FFF CG1 1 ? 11 
ATOM   3143 C  CG2 . VAL C 3 81  ? 0.268   -45.877 -35.847 1.000 26.941  0 79  VAL FFF CG2 1 ? 11 
ATOM   3144 N  N   . TYR C 3 82  ? -0.070  -50.253 -37.245 1.000 26.282  0 80  TYR FFF N   1 ? 11 
ATOM   3145 C  CA  . TYR C 3 82  ? -0.453  -51.672 -37.355 1.000 28.100  0 80  TYR FFF CA  1 ? 11 
ATOM   3146 C  C   . TYR C 3 82  ? -0.157  -52.402 -36.050 1.000 28.732  0 80  TYR FFF C   1 ? 11 
ATOM   3147 O  O   . TYR C 3 82  ? 0.890   -52.152 -35.456 1.000 28.064  0 80  TYR FFF O   1 ? 11 
ATOM   3148 C  CB  . TYR C 3 82  ? 0.362   -52.291 -38.480 1.000 30.527  0 80  TYR FFF CB  1 ? 11 
ATOM   3149 C  CG  . TYR C 3 82  ? 0.088   -51.627 -39.798 1.000 31.209  0 80  TYR FFF CG  1 ? 11 
ATOM   3150 C  CD1 . TYR C 3 82  ? -1.121  -51.825 -40.440 1.000 32.806  0 80  TYR FFF CD1 1 ? 11 
ATOM   3151 C  CD2 . TYR C 3 82  ? 1.033   -50.816 -40.401 1.000 33.024  0 80  TYR FFF CD2 1 ? 11 
ATOM   3152 C  CE1 . TYR C 3 82  ? -1.373  -51.264 -41.685 1.000 33.112  0 80  TYR FFF CE1 1 ? 11 
ATOM   3153 C  CE2 . TYR C 3 82  ? 0.796   -50.242 -41.645 1.000 37.313  0 80  TYR FFF CE2 1 ? 11 
ATOM   3154 C  CZ  . TYR C 3 82  ? -0.428  -50.431 -42.260 1.000 35.447  0 80  TYR FFF CZ  1 ? 11 
ATOM   3155 O  OH  . TYR C 3 82  ? -0.669  -49.858 -43.470 1.000 36.726  0 80  TYR FFF OH  1 ? 11 
ATOM   3156 N  N   . LEU C 3 83  ? -1.049  -53.311 -35.655 1.000 30.491  0 81  LEU FFF N   1 ? 11 
ATOM   3157 C  CA  . LEU C 3 83  ? -0.740  -54.362 -34.651 1.000 30.123  0 81  LEU FFF CA  1 ? 11 
ATOM   3158 C  C   . LEU C 3 83  ? -0.644  -55.680 -35.400 1.000 29.500  0 81  LEU FFF C   1 ? 11 
ATOM   3159 O  O   . LEU C 3 83  ? -1.686  -56.174 -35.885 1.000 28.349  0 81  LEU FFF O   1 ? 11 
ATOM   3160 C  CB  . LEU C 3 83  ? -1.815  -54.413 -33.564 1.000 28.883  0 81  LEU FFF CB  1 ? 11 
ATOM   3161 C  CG  . LEU C 3 83  ? -1.530  -55.399 -32.432 1.000 31.513  0 81  LEU FFF CG  1 ? 11 
ATOM   3162 C  CD1 . LEU C 3 83  ? -0.367  -54.926 -31.573 1.000 30.195  0 81  LEU FFF CD1 1 ? 11 
ATOM   3163 C  CD2 . LEU C 3 83  ? -2.770  -55.589 -31.575 1.000 32.165  0 81  LEU FFF CD2 1 ? 11 
ATOM   3164 N  N   . HIS C 3 84  ? 0.577   -56.184 -35.533 1.000 30.291  0 82  HIS FFF N   1 ? 11 
ATOM   3165 C  CA  . HIS C 3 84  ? 0.891   -57.501 -36.130 1.000 31.907  0 82  HIS FFF CA  1 ? 11 
ATOM   3166 C  C   . HIS C 3 84  ? 0.734   -58.540 -35.027 1.000 34.208  0 82  HIS FFF C   1 ? 11 
ATOM   3167 O  O   . HIS C 3 84  ? 1.591   -58.568 -34.121 1.000 33.222  0 82  HIS FFF O   1 ? 11 
ATOM   3168 C  CB  . HIS C 3 84  ? 2.298   -57.509 -36.734 1.000 33.160  0 82  HIS FFF CB  1 ? 11 
ATOM   3169 C  CG  . HIS C 3 84  ? 2.557   -56.385 -37.680 1.000 36.350  0 82  HIS FFF CG  1 ? 11 
ATOM   3170 N  ND1 . HIS C 3 84  ? 2.174   -56.445 -39.006 1.000 35.962  0 82  HIS FFF ND1 1 ? 11 
ATOM   3171 C  CD2 . HIS C 3 84  ? 3.106   -55.157 -37.481 1.000 34.438  0 82  HIS FFF CD2 1 ? 11 
ATOM   3172 C  CE1 . HIS C 3 84  ? 2.539   -55.318 -39.616 1.000 36.153  0 82  HIS FFF CE1 1 ? 11 
ATOM   3173 N  NE2 . HIS C 3 84  ? 3.152   -54.517 -38.697 1.000 35.846  0 82  HIS FFF NE2 1 ? 11 
ATOM   3174 N  N   . MET C 3 85  ? -0.311  -59.356 -35.085 1.000 31.946  0 83  MET FFF N   1 ? 11 
ATOM   3175 C  CA  . MET C 3 85  ? -0.561  -60.366 -34.029 1.000 36.308  0 83  MET FFF CA  1 ? 11 
ATOM   3176 C  C   . MET C 3 85  ? -0.066  -61.725 -34.526 1.000 37.992  0 83  MET FFF C   1 ? 11 
ATOM   3177 O  O   . MET C 3 85  ? -0.610  -62.213 -35.512 1.000 39.980  0 83  MET FFF O   1 ? 11 
ATOM   3178 C  CB  . MET C 3 85  ? -2.048  -60.407 -33.666 1.000 36.372  0 83  MET FFF CB  1 ? 11 
ATOM   3179 C  CG  . MET C 3 85  ? -2.581  -59.059 -33.146 1.000 37.381  0 83  MET FFF CG  1 ? 11 
ATOM   3180 S  SD  . MET C 3 85  ? -4.399  -58.991 -33.146 1.000 44.273  0 83  MET FFF SD  1 ? 11 
ATOM   3181 C  CE  . MET C 3 85  ? -4.657  -59.459 -31.450 1.000 42.631  0 83  MET FFF CE  1 ? 11 
ATOM   3182 N  N   . ASN C 3 86  ? 0.943   -62.300 -33.877 1.000 38.518  0 84  ASN FFF N   1 ? 11 
ATOM   3183 C  CA  . ASN C 3 86  ? 1.508   -63.624 -34.252 1.000 44.063  0 84  ASN FFF CA  1 ? 11 
ATOM   3184 C  C   . ASN C 3 86  ? 1.361   -64.578 -33.065 1.000 40.697  0 84  ASN FFF C   1 ? 11 
ATOM   3185 O  O   . ASN C 3 86  ? 1.160   -64.105 -31.941 1.000 41.093  0 84  ASN FFF O   1 ? 11 
ATOM   3186 C  CB  . ASN C 3 86  ? 2.956   -63.504 -34.735 1.000 47.231  0 84  ASN FFF CB  1 ? 11 
ATOM   3187 C  CG  . ASN C 3 86  ? 3.125   -62.429 -35.788 1.000 49.857  0 84  ASN FFF CG  1 ? 11 
ATOM   3188 O  OD1 . ASN C 3 86  ? 2.666   -62.578 -36.917 1.000 48.741  0 84  ASN FFF OD1 1 ? 11 
ATOM   3189 N  ND2 . ASN C 3 86  ? 3.740   -61.322 -35.405 1.000 54.732  0 84  ASN FFF ND2 1 ? 11 
ATOM   3190 N  N   . SER C 3 87  ? 1.437   -65.876 -33.322 1.000 42.598  0 85  SER FFF N   1 ? 11 
ATOM   3191 C  CA  . SER C 3 87  ? 1.392   -66.933 -32.285 1.000 44.597  0 85  SER FFF CA  1 ? 11 
ATOM   3192 C  C   . SER C 3 87  ? 0.153   -66.722 -31.413 1.000 44.771  0 85  SER FFF C   1 ? 11 
ATOM   3193 O  O   . SER C 3 87  ? 0.262   -66.775 -30.162 1.000 45.237  0 85  SER FFF O   1 ? 11 
ATOM   3194 C  CB  . SER C 3 87  ? 2.657   -66.913 -31.482 1.000 45.819  0 85  SER FFF CB  1 ? 11 
ATOM   3195 O  OG  . SER C 3 87  ? 3.737   -67.281 -32.309 1.000 49.155  0 85  SER FFF OG  1 ? 11 
ATOM   3196 N  N   . LEU C 3 88  ? -0.980  -66.444 -32.046 1.000 42.047  0 86  LEU FFF N   1 ? 11 
ATOM   3197 C  CA  . LEU C 3 88  ? -2.230  -66.141 -31.316 1.000 41.659  0 86  LEU FFF CA  1 ? 11 
ATOM   3198 C  C   . LEU C 3 88  ? -2.652  -67.367 -30.506 1.000 43.195  0 86  LEU FFF C   1 ? 11 
ATOM   3199 O  O   . LEU C 3 88  ? -2.498  -68.513 -31.005 1.000 45.738  0 86  LEU FFF O   1 ? 11 
ATOM   3200 C  CB  . LEU C 3 88  ? -3.307  -65.694 -32.305 1.000 41.112  0 86  LEU FFF CB  1 ? 11 
ATOM   3201 C  CG  . LEU C 3 88  ? -3.188  -64.229 -32.706 1.000 39.111  0 86  LEU FFF CG  1 ? 11 
ATOM   3202 C  CD1 . LEU C 3 88  ? -4.035  -63.937 -33.934 1.000 39.860  0 86  LEU FFF CD1 1 ? 11 
ATOM   3203 C  CD2 . LEU C 3 88  ? -3.582  -63.320 -31.537 1.000 37.509  0 86  LEU FFF CD2 1 ? 11 
ATOM   3204 N  N   . LYS C 3 89  ? -3.151  -67.111 -29.301 1.000 43.909  0 87  LYS FFF N   1 ? 11 
ATOM   3205 C  CA  . LYS C 3 89  ? -3.645  -68.126 -28.333 1.000 47.212  0 87  LYS FFF CA  1 ? 11 
ATOM   3206 C  C   . LYS C 3 89  ? -5.094  -67.778 -28.032 1.000 44.639  0 87  LYS FFF C   1 ? 11 
ATOM   3207 O  O   . LYS C 3 89  ? -5.483  -66.628 -28.218 1.000 41.950  0 87  LYS FFF O   1 ? 11 
ATOM   3208 C  CB  . LYS C 3 89  ? -2.792  -68.105 -27.058 1.000 51.519  0 87  LYS FFF CB  1 ? 11 
ATOM   3209 C  CG  . LYS C 3 89  ? -1.292  -68.004 -27.284 1.000 57.380  0 87  LYS FFF CG  1 ? 11 
ATOM   3210 C  CD  . LYS C 3 89  ? -0.480  -67.653 -26.040 1.000 64.048  0 87  LYS FFF CD  1 ? 11 
ATOM   3211 C  CE  . LYS C 3 89  ? 0.973   -68.066 -26.213 1.000 71.544  0 87  LYS FFF CE  1 ? 11 
ATOM   3212 N  NZ  . LYS C 3 89  ? 1.851   -67.560 -25.132 1.000 69.912  0 87  LYS FFF NZ  1 ? 11 
ATOM   3213 N  N   . PRO C 3 90  ? -5.936  -68.735 -27.579 1.000 47.096  0 88  PRO FFF N   1 ? 11 
ATOM   3214 C  CA  . PRO C 3 90  ? -7.334  -68.434 -27.248 1.000 48.514  0 88  PRO FFF CA  1 ? 11 
ATOM   3215 C  C   . PRO C 3 90  ? -7.478  -67.312 -26.201 1.000 48.063  0 88  PRO FFF C   1 ? 11 
ATOM   3216 O  O   . PRO C 3 90  ? -8.450  -66.603 -26.274 1.000 46.301  0 88  PRO FFF O   1 ? 11 
ATOM   3217 C  CB  . PRO C 3 90  ? -7.874  -69.781 -26.747 1.000 52.234  0 88  PRO FFF CB  1 ? 11 
ATOM   3218 C  CG  . PRO C 3 90  ? -6.993  -70.792 -27.466 1.000 52.250  0 88  PRO FFF CG  1 ? 11 
ATOM   3219 C  CD  . PRO C 3 90  ? -5.614  -70.161 -27.415 1.000 49.431  0 88  PRO FFF CD  1 ? 11 
ATOM   3220 N  N   . GLU C 3 91  ? -6.473  -67.139 -25.336 1.000 46.640  0 89  GLU FFF N   1 ? 12 
ATOM   3221 C  CA  . GLU C 3 91  ? -6.367  -66.086 -24.289 1.000 47.202  0 89  GLU FFF CA  1 ? 12 
ATOM   3222 C  C   . GLU C 3 91  ? -6.341  -64.692 -24.921 1.000 42.247  0 89  GLU FFF C   1 ? 12 
ATOM   3223 O  O   . GLU C 3 91  ? -6.598  -63.710 -24.218 1.000 38.975  0 89  GLU FFF O   1 ? 12 
ATOM   3224 C  CB  . GLU C 3 91  ? -5.093  -66.324 -23.469 1.000 51.694  0 89  GLU FFF CB  1 ? 12 
ATOM   3225 C  CG  . GLU C 3 91  ? -5.196  -67.491 -22.486 1.000 63.791  0 89  GLU FFF CG  1 ? 12 
ATOM   3226 C  CD  . GLU C 3 91  ? -5.099  -68.938 -22.982 1.000 72.477  0 89  GLU FFF CD  1 ? 12 
ATOM   3227 O  OE1 . GLU C 3 91  ? -4.758  -69.187 -24.183 1.000 62.461  0 89  GLU FFF OE1 1 ? 12 
ATOM   3228 O  OE2 . GLU C 3 91  ? -5.360  -69.845 -22.140 1.000 84.874  0 89  GLU FFF OE2 1 ? 12 
ATOM   3229 N  N   . ASP C 3 92  ? -5.997  -64.590 -26.203 1.000 41.043  0 90  ASP FFF N   1 ? 12 
ATOM   3230 C  CA  . ASP C 3 92  ? -5.949  -63.294 -26.928 1.000 37.720  0 90  ASP FFF CA  1 ? 12 
ATOM   3231 C  C   . ASP C 3 92  ? -7.343  -62.890 -27.443 1.000 36.331  0 90  ASP FFF C   1 ? 12 
ATOM   3232 O  O   . ASP C 3 92  ? -7.467  -61.782 -27.996 1.000 37.043  0 90  ASP FFF O   1 ? 12 
ATOM   3233 C  CB  . ASP C 3 92  ? -4.948  -63.349 -28.083 1.000 37.070  0 90  ASP FFF CB  1 ? 12 
ATOM   3234 C  CG  . ASP C 3 92  ? -3.511  -63.564 -27.657 1.000 37.494  0 90  ASP FFF CG  1 ? 12 
ATOM   3235 O  OD1 . ASP C 3 92  ? -3.053  -62.862 -26.725 1.000 36.408  0 90  ASP FFF OD1 1 ? 12 
ATOM   3236 O  OD2 . ASP C 3 92  ? -2.868  -64.455 -28.250 1.000 38.627  0 90  ASP FFF OD2 1 ? 12 
ATOM   3237 N  N   . THR C 3 93  ? -8.345  -63.753 -27.326 1.000 37.351  0 91  THR FFF N   1 ? 12 
ATOM   3238 C  CA  . THR C 3 93  ? -9.731  -63.445 -27.753 1.000 37.562  0 91  THR FFF CA  1 ? 12 
ATOM   3239 C  C   . THR C 3 93  ? -10.238 -62.228 -26.983 1.000 38.845  0 91  THR FFF C   1 ? 12 
ATOM   3240 O  O   . THR C 3 93  ? -10.210 -62.223 -25.729 1.000 37.202  0 91  THR FFF O   1 ? 12 
ATOM   3241 C  CB  . THR C 3 93  ? -10.655 -64.644 -27.597 1.000 38.609  0 91  THR FFF CB  1 ? 12 
ATOM   3242 O  OG1 . THR C 3 93  ? -10.078 -65.616 -28.467 1.000 39.578  0 91  THR FFF OG1 1 ? 12 
ATOM   3243 C  CG2 . THR C 3 93  ? -12.097 -64.338 -27.947 1.000 40.160  0 91  THR FFF CG2 1 ? 12 
ATOM   3244 N  N   . ALA C 3 94  ? -10.673 -61.208 -27.710 1.000 35.791  0 92  ALA FFF N   1 ? 12 
ATOM   3245 C  CA  . ALA C 3 94  ? -11.120 -59.944 -27.098 1.000 35.183  0 92  ALA FFF CA  1 ? 12 
ATOM   3246 C  C   . ALA C 3 94  ? -11.571 -58.967 -28.172 1.000 33.380  0 92  ALA FFF C   1 ? 12 
ATOM   3247 O  O   . ALA C 3 94  ? -11.264 -59.202 -29.367 1.000 32.537  0 92  ALA FFF O   1 ? 12 
ATOM   3248 C  CB  . ALA C 3 94  ? -9.988  -59.343 -26.320 1.000 34.957  0 92  ALA FFF CB  1 ? 12 
ATOM   3249 N  N   . VAL C 3 95  ? -12.180 -57.873 -27.726 1.000 32.834  0 93  VAL FFF N   1 ? 12 
ATOM   3250 C  CA  . VAL C 3 95  ? -12.390 -56.667 -28.570 1.000 32.536  0 93  VAL FFF CA  1 ? 12 
ATOM   3251 C  C   . VAL C 3 95  ? -11.141 -55.800 -28.445 1.000 32.473  0 93  VAL FFF C   1 ? 12 
ATOM   3252 O  O   . VAL C 3 95  ? -10.786 -55.447 -27.312 1.000 29.263  0 93  VAL FFF O   1 ? 12 
ATOM   3253 C  CB  . VAL C 3 95  ? -13.662 -55.906 -28.180 1.000 34.455  0 93  VAL FFF CB  1 ? 12 
ATOM   3254 C  CG1 . VAL C 3 95  ? -13.878 -54.727 -29.121 1.000 34.525  0 93  VAL FFF CG1 1 ? 12 
ATOM   3255 C  CG2 . VAL C 3 95  ? -14.876 -56.846 -28.175 1.000 38.424  0 93  VAL FFF CG2 1 ? 12 
ATOM   3256 N  N   . TYR C 3 96  ? -10.511 -55.468 -29.576 1.000 29.385  0 94  TYR FFF N   1 ? 12 
ATOM   3257 C  CA  . TYR C 3 96  ? -9.314  -54.603 -29.609 1.000 29.090  0 94  TYR FFF CA  1 ? 12 
ATOM   3258 C  C   . TYR C 3 96  ? -9.679  -53.180 -30.048 1.000 29.982  0 94  TYR FFF C   1 ? 12 
ATOM   3259 O  O   . TYR C 3 96  ? -10.561 -52.960 -30.896 1.000 30.965  0 94  TYR FFF O   1 ? 12 
ATOM   3260 C  CB  . TYR C 3 96  ? -8.248  -55.229 -30.501 1.000 31.593  0 94  TYR FFF CB  1 ? 12 
ATOM   3261 C  CG  . TYR C 3 96  ? -7.598  -56.457 -29.935 1.000 29.006  0 94  TYR FFF CG  1 ? 12 
ATOM   3262 C  CD1 . TYR C 3 96  ? -8.291  -57.644 -29.814 1.000 30.931  0 94  TYR FFF CD1 1 ? 12 
ATOM   3263 C  CD2 . TYR C 3 96  ? -6.262  -56.445 -29.556 1.000 29.697  0 94  TYR FFF CD2 1 ? 12 
ATOM   3264 C  CE1 . TYR C 3 96  ? -7.682  -58.777 -29.291 1.000 31.647  0 94  TYR FFF CE1 1 ? 12 
ATOM   3265 C  CE2 . TYR C 3 96  ? -5.638  -57.574 -29.047 1.000 29.666  0 94  TYR FFF CE2 1 ? 12 
ATOM   3266 C  CZ  . TYR C 3 96  ? -6.355  -58.746 -28.897 1.000 31.537  0 94  TYR FFF CZ  1 ? 12 
ATOM   3267 O  OH  . TYR C 3 96  ? -5.768  -59.872 -28.387 1.000 33.094  0 94  TYR FFF OH  1 ? 12 
ATOM   3268 N  N   . TYR C 3 97  ? -8.955  -52.221 -29.492 1.000 28.368  0 95  TYR FFF N   1 ? 12 
ATOM   3269 C  CA  . TYR C 3 97  ? -9.179  -50.771 -29.667 1.000 29.290  0 95  TYR FFF CA  1 ? 12 
ATOM   3270 C  C   . TYR C 3 97  ? -7.826  -50.099 -29.863 1.000 28.826  0 95  TYR FFF C   1 ? 12 
ATOM   3271 O  O   . TYR C 3 97  ? -6.867  -50.423 -29.162 1.000 27.737  0 95  TYR FFF O   1 ? 12 
ATOM   3272 C  CB  . TYR C 3 97  ? -9.831  -50.143 -28.431 1.000 29.642  0 95  TYR FFF CB  1 ? 12 
ATOM   3273 C  CG  . TYR C 3 97  ? -11.165 -50.703 -28.030 1.000 29.363  0 95  TYR FFF CG  1 ? 12 
ATOM   3274 C  CD1 . TYR C 3 97  ? -11.260 -51.756 -27.138 1.000 28.656  0 95  TYR FFF CD1 1 ? 12 
ATOM   3275 C  CD2 . TYR C 3 97  ? -12.342 -50.134 -28.494 1.000 30.137  0 95  TYR FFF CD2 1 ? 12 
ATOM   3276 C  CE1 . TYR C 3 97  ? -12.487 -52.264 -26.751 1.000 31.439  0 95  TYR FFF CE1 1 ? 12 
ATOM   3277 C  CE2 . TYR C 3 97  ? -13.581 -50.610 -28.101 1.000 30.539  0 95  TYR FFF CE2 1 ? 12 
ATOM   3278 C  CZ  . TYR C 3 97  ? -13.647 -51.679 -27.227 1.000 32.103  0 95  TYR FFF CZ  1 ? 12 
ATOM   3279 O  OH  . TYR C 3 97  ? -14.841 -52.182 -26.848 1.000 36.339  0 95  TYR FFF OH  1 ? 12 
ATOM   3280 N  N   . CYS C 3 98  ? -7.753  -49.128 -30.758 1.000 28.035  0 96  CYS FFF N   1 ? 12 
ATOM   3281 C  CA  . CYS C 3 98  ? -6.627  -48.166 -30.771 1.000 25.695  0 96  CYS FFF CA  1 ? 12 
ATOM   3282 C  C   . CYS C 3 98  ? -7.130  -46.857 -30.172 1.000 26.369  0 96  CYS FFF C   1 ? 12 
ATOM   3283 O  O   . CYS C 3 98  ? -8.361  -46.599 -30.176 1.000 27.896  0 96  CYS FFF O   1 ? 12 
ATOM   3284 C  CB  . CYS C 3 98  ? -6.043  -47.982 -32.162 1.000 29.000  0 96  CYS FFF CB  1 ? 12 
ATOM   3285 S  SG  . CYS C 3 98  ? -7.264  -47.451 -33.375 1.000 36.919  0 96  CYS FFF SG  1 ? 12 
ATOM   3286 N  N   . ALA C 3 99  ? -6.207  -46.065 -29.658 1.000 25.574  0 97  ALA FFF N   1 ? 12 
ATOM   3287 C  CA  . ALA C 3 99  ? -6.497  -44.756 -29.042 1.000 26.767  0 97  ALA FFF CA  1 ? 12 
ATOM   3288 C  C   . ALA C 3 99  ? -5.201  -43.968 -28.988 1.000 27.778  0 97  ALA FFF C   1 ? 12 
ATOM   3289 O  O   . ALA C 3 99  ? -4.152  -44.572 -29.199 1.000 26.725  0 97  ALA FFF O   1 ? 12 
ATOM   3290 C  CB  . ALA C 3 99  ? -7.023  -44.978 -27.648 1.000 30.307  0 97  ALA FFF CB  1 ? 12 
ATOM   3291 N  N   . ILE C 3 100 ? -5.275  -42.688 -28.665 1.000 25.878  0 98  ILE FFF N   1 ? 12 
ATOM   3292 C  CA  . ILE C 3 100 ? -4.075  -41.835 -28.513 1.000 27.884  0 98  ILE FFF CA  1 ? 12 
ATOM   3293 C  C   . ILE C 3 100 ? -4.116  -41.178 -27.125 1.000 30.136  0 98  ILE FFF C   1 ? 12 
ATOM   3294 O  O   . ILE C 3 100 ? -5.219  -41.110 -26.519 1.000 28.367  0 98  ILE FFF O   1 ? 12 
ATOM   3295 C  CB  . ILE C 3 100 ? -4.000  -40.793 -29.635 1.000 29.417  0 98  ILE FFF CB  1 ? 12 
ATOM   3296 C  CG1 . ILE C 3 100 ? -5.311  -40.019 -29.740 1.000 30.667  0 98  ILE FFF CG1 1 ? 12 
ATOM   3297 C  CG2 . ILE C 3 100 ? -3.574  -41.435 -30.961 1.000 28.246  0 98  ILE FFF CG2 1 ? 12 
ATOM   3298 C  CD1 . ILE C 3 100 ? -5.277  -38.849 -30.713 1.000 35.040  0 98  ILE FFF CD1 1 ? 12 
ATOM   3299 N  N   . THR C 3 101 ? -2.964  -40.685 -26.675 1.000 28.937  0 99  THR FFF N   1 ? 12 
ATOM   3300 C  CA  . THR C 3 101 ? -2.798  -39.990 -25.375 1.000 28.990  0 99  THR FFF CA  1 ? 12 
ATOM   3301 C  C   . THR C 3 101 ? -1.978  -38.717 -25.592 1.000 29.297  0 99  THR FFF C   1 ? 12 
ATOM   3302 O  O   . THR C 3 101 ? -1.073  -38.683 -26.466 1.000 28.514  0 99  THR FFF O   1 ? 12 
ATOM   3303 C  CB  . THR C 3 101 ? -2.166  -40.929 -24.340 1.000 27.234  0 99  THR FFF CB  1 ? 12 
ATOM   3304 O  OG1 . THR C 3 101 ? -2.156  -40.244 -23.085 1.000 29.145  0 99  THR FFF OG1 1 ? 12 
ATOM   3305 C  CG2 . THR C 3 101 ? -0.767  -41.373 -24.704 1.000 28.818  0 99  THR FFF CG2 1 ? 12 
ATOM   3306 N  N   . THR C 3 102 ? -2.298  -37.693 -24.823 1.000 30.080  0 100 THR FFF N   1 ? 12 
ATOM   3307 C  CA  . THR C 3 102 ? -1.482  -36.462 -24.669 1.000 32.035  0 100 THR FFF CA  1 ? 12 
ATOM   3308 C  C   . THR C 3 102 ? -0.534  -36.652 -23.476 1.000 31.297  0 100 THR FFF C   1 ? 12 
ATOM   3309 O  O   . THR C 3 102 ? 0.328   -35.777 -23.255 1.000 30.306  0 100 THR FFF O   1 ? 12 
ATOM   3310 C  CB  . THR C 3 102 ? -2.390  -35.243 -24.441 1.000 35.231  0 100 THR FFF CB  1 ? 12 
ATOM   3311 O  OG1 . THR C 3 102 ? -3.062  -35.397 -23.183 1.000 35.421  0 100 THR FFF OG1 1 ? 12 
ATOM   3312 C  CG2 . THR C 3 102 ? -3.428  -35.101 -25.532 1.000 41.008  0 100 THR FFF CG2 1 ? 12 
ATOM   3313 N  N   . ILE C 3 103 ? -0.708  -37.716 -22.695 1.000 29.860  0 101 ILE FFF N   1 ? 12 
ATOM   3314 C  CA  . ILE C 3 103 ? 0.043   -37.879 -21.419 1.000 29.146  0 101 ILE FFF CA  1 ? 12 
ATOM   3315 C  C   . ILE C 3 103 ? 1.350   -38.599 -21.691 1.000 30.127  0 101 ILE FFF C   1 ? 12 
ATOM   3316 O  O   . ILE C 3 103 ? 1.345   -39.770 -22.129 1.000 27.810  0 101 ILE FFF O   1 ? 12 
ATOM   3317 C  CB  . ILE C 3 103 ? -0.791  -38.608 -20.366 1.000 30.831  0 101 ILE FFF CB  1 ? 12 
ATOM   3318 C  CG1 . ILE C 3 103 ? -2.108  -37.874 -20.130 1.000 33.858  0 101 ILE FFF CG1 1 ? 12 
ATOM   3319 C  CG2 . ILE C 3 103 ? 0.030   -38.787 -19.093 1.000 29.692  0 101 ILE FFF CG2 1 ? 12 
ATOM   3320 C  CD1 . ILE C 3 103 ? -2.944  -38.486 -19.044 1.000 36.182  0 101 ILE FFF CD1 1 ? 12 
ATOM   3321 N  N   . VAL C 3 104 ? 2.451   -37.959 -21.337 1.000 28.185  0 102 VAL FFF N   1 ? 12 
ATOM   3322 C  CA  . VAL C 3 104 ? 3.793   -38.575 -21.526 1.000 29.572  0 102 VAL FFF CA  1 ? 12 
ATOM   3323 C  C   . VAL C 3 104 ? 4.196   -39.262 -20.217 1.000 28.604  0 102 VAL FFF C   1 ? 12 
ATOM   3324 O  O   . VAL C 3 104 ? 4.383   -38.552 -19.243 1.000 28.941  0 102 VAL FFF O   1 ? 12 
ATOM   3325 C  CB  . VAL C 3 104 ? 4.819   -37.514 -21.947 1.000 30.009  0 102 VAL FFF CB  1 ? 12 
ATOM   3326 C  CG1 . VAL C 3 104 ? 6.174   -38.173 -22.187 1.000 30.102  0 102 VAL FFF CG1 1 ? 12 
ATOM   3327 C  CG2 . VAL C 3 104 ? 4.334   -36.750 -23.188 1.000 30.098  0 102 VAL FFF CG2 1 ? 12 
ATOM   3328 N  N   . ARG C 3 105 ? 4.332   -40.588 -20.214 1.000 27.325  0 103 ARG FFF N   1 ? 12 
ATOM   3329 C  CA  . ARG C 3 105 ? 4.840   -41.371 -19.051 1.000 29.683  0 103 ARG FFF CA  1 ? 12 
ATOM   3330 C  C   . ARG C 3 105 ? 6.153   -42.004 -19.496 1.000 30.604  0 103 ARG FFF C   1 ? 12 
ATOM   3331 O  O   . ARG C 3 105 ? 6.135   -42.703 -20.533 1.000 27.049  0 103 ARG FFF O   1 ? 12 
ATOM   3332 C  CB  . ARG C 3 105 ? 3.781   -42.384 -18.602 1.000 29.308  0 103 ARG FFF CB  1 ? 12 
ATOM   3333 C  CG  . ARG C 3 105 ? 2.432   -41.769 -18.272 1.000 29.069  0 103 ARG FFF CG  1 ? 12 
ATOM   3334 C  CD  . ARG C 3 105 ? 1.508   -42.775 -17.648 1.000 30.344  0 103 ARG FFF CD  1 ? 12 
ATOM   3335 N  NE  . ARG C 3 105 ? 0.189   -42.284 -17.241 1.000 30.295  0 103 ARG FFF NE  1 ? 12 
ATOM   3336 C  CZ  . ARG C 3 105 ? -0.074  -41.411 -16.272 1.000 29.162  0 103 ARG FFF CZ  1 ? 12 
ATOM   3337 N  NH1 . ARG C 3 105 ? 0.877   -40.866 -15.526 1.000 29.267  0 103 ARG FFF NH1 1 ? 12 
ATOM   3338 N  NH2 . ARG C 3 105 ? -1.325  -41.099 -16.033 1.000 29.026  0 103 ARG FFF NH2 1 ? 12 
ATOM   3339 N  N   . ALA C 3 106 ? 7.248   -41.741 -18.780 1.000 27.088  0 104 ALA FFF N   1 ? 12 
ATOM   3340 C  CA  . ALA C 3 106 ? 8.588   -42.246 -19.150 1.000 27.970  0 104 ALA FFF CA  1 ? 12 
ATOM   3341 C  C   . ALA C 3 106 ? 8.560   -43.768 -19.096 1.000 27.532  0 104 ALA FFF C   1 ? 12 
ATOM   3342 O  O   . ALA C 3 106 ? 9.319   -44.457 -19.851 1.000 27.507  0 104 ALA FFF O   1 ? 12 
ATOM   3343 C  CB  . ALA C 3 106 ? 9.627   -41.693 -18.213 1.000 28.699  0 104 ALA FFF CB  1 ? 12 
ATOM   3344 N  N   . TYR C 3 107 ? 7.743   -44.276 -18.181 1.000 26.676  0 105 TYR FFF N   1 ? 12 
ATOM   3345 C  CA  . TYR C 3 107 ? 7.549   -45.726 -17.959 1.000 26.329  0 105 TYR FFF CA  1 ? 12 
ATOM   3346 C  C   . TYR C 3 107 ? 6.224   -46.135 -18.592 1.000 28.340  0 105 TYR FFF C   1 ? 12 
ATOM   3347 O  O   . TYR C 3 107 ? 5.174   -45.874 -17.993 1.000 28.136  0 105 TYR FFF O   1 ? 12 
ATOM   3348 C  CB  . TYR C 3 107 ? 7.608   -46.010 -16.459 1.000 29.182  0 105 TYR FFF CB  1 ? 12 
ATOM   3349 C  CG  . TYR C 3 107 ? 8.921   -45.693 -15.786 1.000 28.911  0 105 TYR FFF CG  1 ? 12 
ATOM   3350 C  CD1 . TYR C 3 107 ? 9.977   -46.577 -15.845 1.000 30.365  0 105 TYR FFF CD1 1 ? 12 
ATOM   3351 C  CD2 . TYR C 3 107 ? 9.075   -44.552 -15.006 1.000 29.987  0 105 TYR FFF CD2 1 ? 12 
ATOM   3352 C  CE1 . TYR C 3 107 ? 11.167  -46.323 -15.186 1.000 32.611  0 105 TYR FFF CE1 1 ? 12 
ATOM   3353 C  CE2 . TYR C 3 107 ? 10.258  -44.272 -14.347 1.000 29.780  0 105 TYR FFF CE2 1 ? 12 
ATOM   3354 C  CZ  . TYR C 3 107 ? 11.298  -45.171 -14.429 1.000 32.777  0 105 TYR FFF CZ  1 ? 12 
ATOM   3355 O  OH  . TYR C 3 107 ? 12.457  -44.947 -13.761 1.000 36.028  0 105 TYR FFF OH  1 ? 12 
ATOM   3356 N  N   . TYR C 3 108 ? 6.256   -46.711 -19.801 1.000 27.017  0 106 TYR FFF N   1 ? 12 
ATOM   3357 C  CA  . TYR C 3 108 ? 5.021   -47.054 -20.548 1.000 28.749  0 106 TYR FFF CA  1 ? 12 
ATOM   3358 C  C   . TYR C 3 108 ? 4.148   -47.999 -19.710 1.000 27.578  0 106 TYR FFF C   1 ? 12 
ATOM   3359 O  O   . TYR C 3 108 ? 2.936   -48.031 -19.908 1.000 28.425  0 106 TYR FFF O   1 ? 12 
ATOM   3360 C  CB  . TYR C 3 108 ? 5.342   -47.700 -21.891 1.000 27.828  0 106 TYR FFF CB  1 ? 12 
ATOM   3361 C  CG  . TYR C 3 108 ? 5.702   -49.156 -21.768 1.000 27.521  0 106 TYR FFF CG  1 ? 12 
ATOM   3362 C  CD1 . TYR C 3 108 ? 4.713   -50.130 -21.799 1.000 25.766  0 106 TYR FFF CD1 1 ? 12 
ATOM   3363 C  CD2 . TYR C 3 108 ? 7.028   -49.555 -21.649 1.000 27.046  0 106 TYR FFF CD2 1 ? 12 
ATOM   3364 C  CE1 . TYR C 3 108 ? 5.030   -51.468 -21.644 1.000 26.390  0 106 TYR FFF CE1 1 ? 12 
ATOM   3365 C  CE2 . TYR C 3 108 ? 7.359   -50.892 -21.496 1.000 27.689  0 106 TYR FFF CE2 1 ? 12 
ATOM   3366 C  CZ  . TYR C 3 108 ? 6.354   -51.856 -21.518 1.000 27.882  0 106 TYR FFF CZ  1 ? 12 
ATOM   3367 O  OH  . TYR C 3 108 ? 6.669   -53.181 -21.388 1.000 30.241  0 106 TYR FFF OH  1 ? 12 
ATOM   3368 N  N   . THR C 3 109 ? 4.774   -48.752 -18.814 1.000 28.534  0 107 THR FFF N   1 ? 12 
ATOM   3369 C  CA  . THR C 3 109 ? 4.146   -49.728 -17.885 1.000 31.359  0 107 THR FFF CA  1 ? 12 
ATOM   3370 C  C   . THR C 3 109 ? 3.070   -49.046 -17.033 1.000 32.081  0 107 THR FFF C   1 ? 12 
ATOM   3371 O  O   . THR C 3 109 ? 2.264   -49.768 -16.417 1.000 32.194  0 107 THR FFF O   1 ? 12 
ATOM   3372 C  CB  . THR C 3 109 ? 5.238   -50.352 -17.005 1.000 36.627  0 107 THR FFF CB  1 ? 12 
ATOM   3373 O  OG1 . THR C 3 109 ? 5.935   -49.301 -16.332 1.000 33.113  0 107 THR FFF OG1 1 ? 12 
ATOM   3374 C  CG2 . THR C 3 109 ? 6.242   -51.155 -17.813 1.000 38.634  0 107 THR FFF CG2 1 ? 12 
ATOM   3375 N  N   . GLU C 3 110 ? 3.130   -47.713 -16.902 1.000 26.055  0 108 GLU FFF N   1 ? 12 
ATOM   3376 C  CA  . GLU C 3 110 ? 2.165   -46.967 -16.066 1.000 29.221  0 108 GLU FFF CA  1 ? 12 
ATOM   3377 C  C   . GLU C 3 110 ? 0.943   -46.544 -16.867 1.000 28.535  0 108 GLU FFF C   1 ? 12 
ATOM   3378 O  O   . GLU C 3 110 ? 0.019   -46.034 -16.242 1.000 30.717  0 108 GLU FFF O   1 ? 12 
ATOM   3379 C  CB  . GLU C 3 110 ? 2.886   -45.803 -15.402 1.000 29.681  0 108 GLU FFF CB  1 ? 12 
ATOM   3380 C  CG  . GLU C 3 110 ? 3.945   -46.312 -14.447 1.000 29.268  0 108 GLU FFF CG  1 ? 12 
ATOM   3381 C  CD  . GLU C 3 110 ? 4.398   -45.275 -13.439 1.000 34.004  0 108 GLU FFF CD  1 ? 12 
ATOM   3382 O  OE1 . GLU C 3 110 ? 4.673   -44.152 -13.882 1.000 33.617  0 108 GLU FFF OE1 1 ? 12 
ATOM   3383 O  OE2 . GLU C 3 110 ? 4.480   -45.614 -12.215 1.000 31.187  0 108 GLU FFF OE2 1 ? 12 
ATOM   3384 N  N   . TYR C 3 111 ? 0.928   -46.700 -18.189 1.000 27.528  0 109 TYR FFF N   1 ? 12 
ATOM   3385 C  CA  . TYR C 3 111 ? -0.272  -46.312 -18.966 1.000 27.721  0 109 TYR FFF CA  1 ? 12 
ATOM   3386 C  C   . TYR C 3 111 ? -1.479  -47.167 -18.561 1.000 28.840  0 109 TYR FFF C   1 ? 12 
ATOM   3387 O  O   . TYR C 3 111 ? -1.352  -48.367 -18.339 1.000 26.684  0 109 TYR FFF O   1 ? 12 
ATOM   3388 C  CB  . TYR C 3 111 ? -0.027  -46.369 -20.469 1.000 27.746  0 109 TYR FFF CB  1 ? 12 
ATOM   3389 C  CG  . TYR C 3 111 ? 0.717   -45.171 -20.995 1.000 26.748  0 109 TYR FFF CG  1 ? 12 
ATOM   3390 C  CD1 . TYR C 3 111 ? 0.195   -43.901 -20.885 1.000 26.685  0 109 TYR FFF CD1 1 ? 12 
ATOM   3391 C  CD2 . TYR C 3 111 ? 1.961   -45.309 -21.577 1.000 27.729  0 109 TYR FFF CD2 1 ? 12 
ATOM   3392 C  CE1 . TYR C 3 111 ? 0.882   -42.800 -21.387 1.000 27.163  0 109 TYR FFF CE1 1 ? 12 
ATOM   3393 C  CE2 . TYR C 3 111 ? 2.666   -44.225 -22.074 1.000 27.830  0 109 TYR FFF CE2 1 ? 12 
ATOM   3394 C  CZ  . TYR C 3 111 ? 2.133   -42.955 -21.954 1.000 26.298  0 109 TYR FFF CZ  1 ? 12 
ATOM   3395 O  OH  . TYR C 3 111 ? 2.845   -41.891 -22.410 1.000 25.531  0 109 TYR FFF OH  1 ? 12 
ATOM   3396 N  N   . THR C 3 112 ? -2.640  -46.528 -18.448 1.000 28.279  0 110 THR FFF N   1 ? 12 
ATOM   3397 C  CA  . THR C 3 112 ? -3.947  -47.218 -18.358 1.000 31.127  0 110 THR FFF CA  1 ? 12 
ATOM   3398 C  C   . THR C 3 112 ? -4.896  -46.613 -19.378 1.000 30.586  0 110 THR FFF C   1 ? 12 
ATOM   3399 O  O   . THR C 3 112 ? -4.559  -45.564 -19.977 1.000 32.193  0 110 THR FFF O   1 ? 12 
ATOM   3400 C  CB  . THR C 3 112 ? -4.582  -47.120 -16.965 1.000 32.617  0 110 THR FFF CB  1 ? 12 
ATOM   3401 O  OG1 . THR C 3 112 ? -5.076  -45.783 -16.816 1.000 31.826  0 110 THR FFF OG1 1 ? 12 
ATOM   3402 C  CG2 . THR C 3 112 ? -3.637  -47.479 -15.831 1.000 35.197  0 110 THR FFF CG2 1 ? 12 
ATOM   3403 N  N   . GLU C 3 113 ? -6.050  -47.248 -19.549 1.000 34.781  0 111 GLU FFF N   1 ? 12 
ATOM   3404 C  CA  A GLU C 3 113 ? -7.082  -46.816 -20.529 0.600 34.156  0 111 GLU FFF CA  1 ? 12 
ATOM   3405 C  CA  B GLU C 3 113 ? -7.086  -46.816 -20.528 0.400 33.862  0 111 GLU FFF CA  1 ? 12 
ATOM   3406 C  C   . GLU C 3 113 ? -7.505  -45.377 -20.199 1.000 32.443  0 111 GLU FFF C   1 ? 12 
ATOM   3407 O  O   . GLU C 3 113 ? -7.832  -44.644 -21.122 1.000 29.281  0 111 GLU FFF O   1 ? 12 
ATOM   3408 C  CB  A GLU C 3 113 ? -8.258  -47.808 -20.535 0.600 36.471  0 111 GLU FFF CB  1 ? 12 
ATOM   3409 C  CB  B GLU C 3 113 ? -8.283  -47.782 -20.553 0.400 36.154  0 111 GLU FFF CB  1 ? 12 
ATOM   3410 C  CG  A GLU C 3 113 ? -9.005  -47.908 -19.210 0.600 40.843  0 111 GLU FFF CG  1 ? 12 
ATOM   3411 C  CG  B GLU C 3 113 ? -9.119  -47.812 -19.279 0.400 39.866  0 111 GLU FFF CG  1 ? 12 
ATOM   3412 C  CD  A GLU C 3 113 ? -10.086 -46.862 -18.995 0.600 41.821  0 111 GLU FFF CD  1 ? 12 
ATOM   3413 C  CD  B GLU C 3 113 ? -10.415 -48.603 -19.390 0.400 42.159  0 111 GLU FFF CD  1 ? 12 
ATOM   3414 O  OE1 A GLU C 3 113 ? -10.464 -46.196 -19.992 0.600 43.896  0 111 GLU FFF OE1 1 ? 12 
ATOM   3415 O  OE1 B GLU C 3 113 ? -11.047 -48.555 -20.465 0.400 38.499  0 111 GLU FFF OE1 1 ? 12 
ATOM   3416 O  OE2 A GLU C 3 113 ? -10.525 -46.701 -17.837 0.600 49.334  0 111 GLU FFF OE2 1 ? 12 
ATOM   3417 O  OE2 B GLU C 3 113 ? -10.791 -49.271 -18.399 0.400 47.875  0 111 GLU FFF OE2 1 ? 12 
ATOM   3418 N  N   . ALA C 3 114 ? -7.489  -44.980 -18.921 1.000 31.023  0 112 ALA FFF N   1 ? 12 
ATOM   3419 C  CA  . ALA C 3 114 ? -7.955  -43.624 -18.524 1.000 31.221  0 112 ALA FFF CA  1 ? 12 
ATOM   3420 C  C   . ALA C 3 114 ? -7.046  -42.547 -19.136 1.000 28.157  0 112 ALA FFF C   1 ? 12 
ATOM   3421 O  O   . ALA C 3 114 ? -7.442  -41.390 -19.198 1.000 27.128  0 112 ALA FFF O   1 ? 12 
ATOM   3422 C  CB  . ALA C 3 114 ? -8.021  -43.485 -17.024 1.000 34.474  0 112 ALA FFF CB  1 ? 12 
ATOM   3423 N  N   . ASP C 3 115 ? -5.856  -42.898 -19.580 1.000 26.339  0 113 ASP FFF N   1 ? 12 
ATOM   3424 C  CA  . ASP C 3 115 ? -4.906  -41.918 -20.161 1.000 26.743  0 113 ASP FFF CA  1 ? 12 
ATOM   3425 C  C   . ASP C 3 115 ? -5.240  -41.643 -21.631 1.000 29.122  0 113 ASP FFF C   1 ? 12 
ATOM   3426 O  O   . ASP C 3 115 ? -4.722  -40.660 -22.178 1.000 29.101  0 113 ASP FFF O   1 ? 12 
ATOM   3427 C  CB  . ASP C 3 115 ? -3.493  -42.451 -20.047 1.000 25.704  0 113 ASP FFF CB  1 ? 12 
ATOM   3428 C  CG  . ASP C 3 115 ? -3.068  -42.633 -18.601 1.000 27.850  0 113 ASP FFF CG  1 ? 12 
ATOM   3429 O  OD1 . ASP C 3 115 ? -3.577  -41.883 -17.774 1.000 30.485  0 113 ASP FFF OD1 1 ? 12 
ATOM   3430 O  OD2 . ASP C 3 115 ? -2.220  -43.512 -18.338 1.000 28.958  0 113 ASP FFF OD2 1 ? 12 
ATOM   3431 N  N   . PHE C 3 116 ? -6.084  -42.466 -22.238 1.000 29.087  0 114 PHE FFF N   1 ? 12 
ATOM   3432 C  CA  . PHE C 3 116 ? -6.293  -42.468 -23.707 1.000 28.418  0 114 PHE FFF CA  1 ? 12 
ATOM   3433 C  C   . PHE C 3 116 ? -7.684  -41.946 -24.060 1.000 30.931  0 114 PHE FFF C   1 ? 12 
ATOM   3434 O  O   . PHE C 3 116 ? -8.595  -42.058 -23.230 1.000 29.927  0 114 PHE FFF O   1 ? 12 
ATOM   3435 C  CB  . PHE C 3 116 ? -6.037  -43.866 -24.267 1.000 28.034  0 114 PHE FFF CB  1 ? 12 
ATOM   3436 C  CG  . PHE C 3 116 ? -4.581  -44.237 -24.245 1.000 29.447  0 114 PHE FFF CG  1 ? 12 
ATOM   3437 C  CD1 . PHE C 3 116 ? -3.964  -44.590 -23.052 1.000 29.226  0 114 PHE FFF CD1 1 ? 12 
ATOM   3438 C  CD2 . PHE C 3 116 ? -3.821  -44.234 -25.400 1.000 29.605  0 114 PHE FFF CD2 1 ? 12 
ATOM   3439 C  CE1 . PHE C 3 116 ? -2.624  -44.931 -23.036 1.000 28.382  0 114 PHE FFF CE1 1 ? 12 
ATOM   3440 C  CE2 . PHE C 3 116 ? -2.470  -44.552 -25.372 1.000 29.210  0 114 PHE FFF CE2 1 ? 12 
ATOM   3441 C  CZ  . PHE C 3 116 ? -1.876  -44.886 -24.191 1.000 30.386  0 114 PHE FFF CZ  1 ? 12 
ATOM   3442 N  N   . GLY C 3 117 ? -7.830  -41.496 -25.321 1.000 31.927  0 115 GLY FFF N   1 ? 12 
ATOM   3443 C  CA  . GLY C 3 117 ? -9.050  -40.906 -25.902 1.000 31.948  0 115 GLY FFF CA  1 ? 12 
ATOM   3444 C  C   . GLY C 3 117 ? -9.076  -41.116 -27.415 1.000 32.419  0 115 GLY FFF C   1 ? 12 
ATOM   3445 O  O   . GLY C 3 117 ? -8.108  -41.725 -27.971 1.000 29.885  0 115 GLY FFF O   1 ? 12 
ATOM   3446 N  N   . SER C 3 118 ? -10.112 -40.614 -28.069 1.000 32.431  0 116 SER FFF N   1 ? 12 
ATOM   3447 C  CA  . SER C 3 118 ? -10.312 -40.704 -29.539 1.000 33.561  0 116 SER FFF CA  1 ? 12 
ATOM   3448 C  C   . SER C 3 118 ? -10.339 -42.186 -29.924 1.000 32.522  0 116 SER FFF C   1 ? 12 
ATOM   3449 O  O   . SER C 3 118 ? -9.742  -42.566 -30.948 1.000 36.468  0 116 SER FFF O   1 ? 12 
ATOM   3450 C  CB  . SER C 3 118 ? -9.227  -39.956 -30.280 1.000 31.570  0 116 SER FFF CB  1 ? 12 
ATOM   3451 O  OG  . SER C 3 118 ? -9.348  -38.562 -30.086 1.000 33.331  0 116 SER FFF OG  1 ? 12 
ATOM   3452 N  N   . TRP C 3 119 ? -10.977 -43.010 -29.104 1.000 31.272  0 117 TRP FFF N   1 ? 12 
ATOM   3453 C  CA  . TRP C 3 119 ? -11.006 -44.486 -29.268 1.000 29.431  0 117 TRP FFF CA  1 ? 12 
ATOM   3454 C  C   . TRP C 3 119 ? -11.474 -44.860 -30.681 1.000 29.765  0 117 TRP FFF C   1 ? 12 
ATOM   3455 O  O   . TRP C 3 119 ? -12.518 -44.344 -31.101 1.000 29.162  0 117 TRP FFF O   1 ? 12 
ATOM   3456 C  CB  . TRP C 3 119 ? -11.915 -45.100 -28.208 1.000 31.888  0 117 TRP FFF CB  1 ? 12 
ATOM   3457 C  CG  . TRP C 3 119 ? -11.334 -44.977 -26.828 1.000 30.132  0 117 TRP FFF CG  1 ? 12 
ATOM   3458 C  CD1 . TRP C 3 119 ? -11.587 -43.990 -25.924 1.000 30.138  0 117 TRP FFF CD1 1 ? 12 
ATOM   3459 C  CD2 . TRP C 3 119 ? -10.367 -45.836 -26.216 1.000 27.544  0 117 TRP FFF CD2 1 ? 12 
ATOM   3460 N  NE1 . TRP C 3 119 ? -10.871 -44.192 -24.775 1.000 31.152  0 117 TRP FFF NE1 1 ? 12 
ATOM   3461 C  CE2 . TRP C 3 119 ? -10.133 -45.334 -24.916 1.000 28.757  0 117 TRP FFF CE2 1 ? 12 
ATOM   3462 C  CE3 . TRP C 3 119 ? -9.734  -47.017 -26.605 1.000 30.509  0 117 TRP FFF CE3 1 ? 12 
ATOM   3463 C  CZ2 . TRP C 3 119 ? -9.250  -45.932 -24.031 1.000 27.799  0 117 TRP FFF CZ2 1 ? 12 
ATOM   3464 C  CZ3 . TRP C 3 119 ? -8.875  -47.631 -25.719 1.000 29.253  0 117 TRP FFF CZ3 1 ? 12 
ATOM   3465 C  CH2 . TRP C 3 119 ? -8.618  -47.080 -24.460 1.000 28.400  0 117 TRP FFF CH2 1 ? 12 
ATOM   3466 N  N   . GLY C 3 120 ? -10.760 -45.765 -31.351 1.000 30.034  0 118 GLY FFF N   1 ? 12 
ATOM   3467 C  CA  . GLY C 3 120 ? -11.263 -46.432 -32.565 1.000 33.133  0 118 GLY FFF CA  1 ? 12 
ATOM   3468 C  C   . GLY C 3 120 ? -12.467 -47.304 -32.242 1.000 34.851  0 118 GLY FFF C   1 ? 12 
ATOM   3469 O  O   . GLY C 3 120 ? -12.687 -47.618 -31.048 1.000 33.228  0 118 GLY FFF O   1 ? 12 
ATOM   3470 N  N   . GLN C 3 121 ? -13.198 -47.728 -33.266 1.000 31.515  0 119 GLN FFF N   1 ? 12 
ATOM   3471 C  CA  . GLN C 3 121 ? -14.265 -48.736 -33.133 1.000 32.202  0 119 GLN FFF CA  1 ? 12 
ATOM   3472 C  C   . GLN C 3 121 ? -13.617 -50.076 -32.754 1.000 34.711  0 119 GLN FFF C   1 ? 12 
ATOM   3473 O  O   . GLN C 3 121 ? -12.691 -50.547 -33.478 1.000 35.174  0 119 GLN FFF O   1 ? 12 
ATOM   3474 C  CB  . GLN C 3 121 ? -15.079 -48.817 -34.428 1.000 31.888  0 119 GLN FFF CB  1 ? 12 
ATOM   3475 C  CG  . GLN C 3 121 ? -16.217 -49.840 -34.363 1.000 34.663  0 119 GLN FFF CG  1 ? 12 
ATOM   3476 C  CD  . GLN C 3 121 ? -16.913 -50.007 -35.688 1.000 35.695  0 119 GLN FFF CD  1 ? 12 
ATOM   3477 O  OE1 . GLN C 3 121 ? -16.555 -49.374 -36.671 1.000 33.935  0 119 GLN FFF OE1 1 ? 12 
ATOM   3478 N  NE2 . GLN C 3 121 ? -17.972 -50.797 -35.705 1.000 38.555  0 119 GLN FFF NE2 1 ? 12 
ATOM   3479 N  N   . GLY C 3 122 ? -14.127 -50.696 -31.692 1.000 31.901  0 120 GLY FFF N   1 ? 12 
ATOM   3480 C  CA  . GLY C 3 122 ? -13.726 -52.039 -31.245 1.000 32.275  0 120 GLY FFF CA  1 ? 12 
ATOM   3481 C  C   . GLY C 3 122 ? -13.802 -53.060 -32.361 1.000 34.683  0 120 GLY FFF C   1 ? 12 
ATOM   3482 O  O   . GLY C 3 122 ? -14.818 -53.101 -33.078 1.000 35.426  0 120 GLY FFF O   1 ? 12 
ATOM   3483 N  N   . THR C 3 123 ? -12.765 -53.879 -32.540 1.000 32.387  0 121 THR FFF N   1 ? 12 
ATOM   3484 C  CA  . THR C 3 123 ? -12.846 -54.986 -33.514 1.000 36.637  0 121 THR FFF CA  1 ? 12 
ATOM   3485 C  C   . THR C 3 123 ? -12.614 -56.307 -32.780 1.000 35.246  0 121 THR FFF C   1 ? 12 
ATOM   3486 O  O   . THR C 3 123 ? -11.631 -56.406 -32.026 1.000 32.643  0 121 THR FFF O   1 ? 12 
ATOM   3487 C  CB  . THR C 3 123 ? -11.924 -54.708 -34.705 1.000 38.077  0 121 THR FFF CB  1 ? 12 
ATOM   3488 O  OG1 . THR C 3 123 ? -12.187 -55.721 -35.672 1.000 45.689  0 121 THR FFF OG1 1 ? 12 
ATOM   3489 C  CG2 . THR C 3 123 ? -10.462 -54.714 -34.351 1.000 42.704  0 121 THR FFF CG2 1 ? 12 
ATOM   3490 N  N   . GLN C 3 124 ? -13.486 -57.280 -33.036 1.000 35.779  0 122 GLN FFF N   1 ? 12 
ATOM   3491 C  CA  . GLN C 3 124 ? -13.453 -58.612 -32.395 1.000 38.326  0 122 GLN FFF CA  1 ? 12 
ATOM   3492 C  C   . GLN C 3 124 ? -12.289 -59.402 -32.992 1.000 37.834  0 122 GLN FFF C   1 ? 12 
ATOM   3493 O  O   . GLN C 3 124 ? -12.172 -59.478 -34.226 1.000 35.263  0 122 GLN FFF O   1 ? 12 
ATOM   3494 C  CB  . GLN C 3 124 ? -14.785 -59.344 -32.560 1.000 40.286  0 122 GLN FFF CB  1 ? 12 
ATOM   3495 C  CG  . GLN C 3 124 ? -14.803 -60.726 -31.905 1.000 42.158  0 122 GLN FFF CG  1 ? 12 
ATOM   3496 C  CD  . GLN C 3 124 ? -14.782 -60.667 -30.392 1.000 44.249  0 122 GLN FFF CD  1 ? 12 
ATOM   3497 O  OE1 . GLN C 3 124 ? -15.544 -59.936 -29.770 1.000 44.528  0 122 GLN FFF OE1 1 ? 12 
ATOM   3498 N  NE2 . GLN C 3 124 ? -13.933 -61.479 -29.777 1.000 44.104  0 122 GLN FFF NE2 1 ? 12 
ATOM   3499 N  N   . VAL C 3 125 ? -11.425 -59.928 -32.137 1.000 35.126  0 123 VAL FFF N   1 ? 12 
ATOM   3500 C  CA  . VAL C 3 125 ? -10.450 -60.980 -32.506 1.000 36.203  0 123 VAL FFF CA  1 ? 12 
ATOM   3501 C  C   . VAL C 3 125 ? -10.853 -62.259 -31.765 1.000 38.352  0 123 VAL FFF C   1 ? 12 
ATOM   3502 O  O   . VAL C 3 125 ? -11.018 -62.222 -30.531 1.000 41.152  0 123 VAL FFF O   1 ? 12 
ATOM   3503 C  CB  . VAL C 3 125 ? -9.012  -60.530 -32.200 1.000 36.740  0 123 VAL FFF CB  1 ? 12 
ATOM   3504 C  CG1 . VAL C 3 125 ? -8.015  -61.667 -32.423 1.000 39.945  0 123 VAL FFF CG1 1 ? 12 
ATOM   3505 C  CG2 . VAL C 3 125 ? -8.619  -59.303 -33.021 1.000 35.405  0 123 VAL FFF CG2 1 ? 12 
ATOM   3506 N  N   . THR C 3 126 ? -11.043 -63.356 -32.485 1.000 39.104  0 124 THR FFF N   1 ? 12 
ATOM   3507 C  CA  . THR C 3 126 ? -11.465 -64.651 -31.911 1.000 39.865  0 124 THR FFF CA  1 ? 12 
ATOM   3508 C  C   . THR C 3 126 ? -10.464 -65.707 -32.339 1.000 42.161  0 124 THR FFF C   1 ? 12 
ATOM   3509 O  O   . THR C 3 126 ? -10.350 -65.960 -33.552 1.000 44.380  0 124 THR FFF O   1 ? 12 
ATOM   3510 C  CB  . THR C 3 126 ? -12.901 -64.999 -32.298 1.000 41.589  0 124 THR FFF CB  1 ? 12 
ATOM   3511 O  OG1 . THR C 3 126 ? -13.692 -63.935 -31.771 1.000 42.085  0 124 THR FFF OG1 1 ? 12 
ATOM   3512 C  CG2 . THR C 3 126 ? -13.364 -66.325 -31.738 1.000 44.777  0 124 THR FFF CG2 1 ? 12 
ATOM   3513 N  N   . VAL C 3 127 ? -9.754  -66.263 -31.362 1.000 42.813  0 125 VAL FFF N   1 ? 12 
ATOM   3514 C  CA  . VAL C 3 127 ? -8.758  -67.344 -31.560 1.000 45.813  0 125 VAL FFF CA  1 ? 12 
ATOM   3515 C  C   . VAL C 3 127 ? -9.406  -68.664 -31.125 1.000 52.741  0 125 VAL FFF C   1 ? 12 
ATOM   3516 O  O   . VAL C 3 127 ? -9.629  -68.846 -29.923 1.000 50.934  0 125 VAL FFF O   1 ? 12 
ATOM   3517 C  CB  . VAL C 3 127 ? -7.446  -67.047 -30.819 1.000 42.585  0 125 VAL FFF CB  1 ? 12 
ATOM   3518 C  CG1 . VAL C 3 127 ? -6.342  -67.974 -31.294 1.000 44.902  0 125 VAL FFF CG1 1 ? 12 
ATOM   3519 C  CG2 . VAL C 3 127 ? -7.034  -65.592 -30.981 1.000 41.383  0 125 VAL FFF CG2 1 ? 12 
ATOM   3520 N  N   . SER C 3 128 ? -9.745  -69.502 -32.107 1.000 60.203  0 126 SER FFF N   1 ? 12 
ATOM   3521 C  CA  A SER C 3 128 ? -10.284 -70.872 -31.901 0.600 67.929  0 126 SER FFF CA  1 ? 12 
ATOM   3522 C  CA  B SER C 3 128 ? -10.281 -70.877 -31.931 0.400 66.840  0 126 SER FFF CA  1 ? 12 
ATOM   3523 C  C   . SER C 3 128 ? -9.116  -71.838 -31.693 1.000 76.648  0 126 SER FFF C   1 ? 12 
ATOM   3524 O  O   . SER C 3 128 ? -8.075  -71.640 -32.349 1.000 86.200  0 126 SER FFF O   1 ? 12 
ATOM   3525 C  CB  A SER C 3 128 ? -11.138 -71.307 -33.053 0.600 68.669  0 126 SER FFF CB  1 ? 12 
ATOM   3526 C  CB  B SER C 3 128 ? -11.034 -71.296 -33.149 0.400 66.108  0 126 SER FFF CB  1 ? 12 
ATOM   3527 O  OG  A SER C 3 128 ? -11.299 -72.718 -33.041 0.600 74.673  0 126 SER FFF OG  1 ? 12 
ATOM   3528 O  OG  B SER C 3 128 ? -10.123 -71.513 -34.216 0.400 64.476  0 126 SER FFF OG  1 ? 12 
ATOM   3529 N  N   . SER C 3 129 ? -9.302  -72.839 -30.824 1.000 86.725  0 127 SER FFF N   1 ? 12 
ATOM   3530 C  CA  . SER C 3 129 ? -8.266  -73.847 -30.467 1.000 92.224  0 127 SER FFF CA  1 ? 12 
ATOM   3531 C  C   . SER C 3 129 ? -8.540  -75.160 -31.208 1.000 98.928  0 127 SER FFF C   1 ? 12 
ATOM   3532 O  O   . SER C 3 129 ? -9.690  -75.496 -31.513 1.000 95.701  0 127 SER FFF O   1 ? 12 
ATOM   3533 C  CB  . SER C 3 129 ? -8.176  -74.043 -28.972 1.000 92.103  0 127 SER FFF CB  1 ? 12 
ATOM   3534 O  OG  . SER C 3 129 ? -9.428  -73.793 -28.353 1.000 92.751  0 127 SER FFF OG  1 ? 12 
HETATM 3535 C  C1  . NAG D 4 .   ? 2.846   -8.285  -14.410 1.000 60.637  0 601 NAG EEE C1  1 ? ?  
HETATM 3536 C  C2  . NAG D 4 .   ? 3.853   -7.149  -14.235 1.000 66.764  0 601 NAG EEE C2  1 ? ?  
HETATM 3537 C  C3  . NAG D 4 .   ? 3.631   -6.411  -12.914 1.000 72.375  0 601 NAG EEE C3  1 ? ?  
HETATM 3538 C  C4  . NAG D 4 .   ? 2.196   -5.915  -12.791 1.000 75.287  0 601 NAG EEE C4  1 ? ?  
HETATM 3539 C  C5  . NAG D 4 .   ? 1.180   -7.006  -13.117 1.000 75.985  0 601 NAG EEE C5  1 ? ?  
HETATM 3540 C  C6  . NAG D 4 .   ? -0.193  -6.375  -13.322 1.000 72.849  0 601 NAG EEE C6  1 ? ?  
HETATM 3541 C  C7  . NAG D 4 .   ? 6.183   -7.031  -14.912 1.000 65.365  0 601 NAG EEE C7  1 ? ?  
HETATM 3542 C  C8  . NAG D 4 .   ? 7.568   -7.566  -14.699 1.000 63.429  0 601 NAG EEE C8  1 ? ?  
HETATM 3543 N  N2  . NAG D 4 .   ? 5.217   -7.638  -14.229 1.000 62.445  0 601 NAG EEE N2  1 ? ?  
HETATM 3544 O  O3  . NAG D 4 .   ? 4.523   -5.294  -12.813 1.000 72.098  0 601 NAG EEE O3  1 ? ?  
HETATM 3545 O  O4  . NAG D 4 .   ? 1.976   -5.458  -11.455 1.000 83.398  0 601 NAG EEE O4  1 ? ?  
HETATM 3546 O  O5  . NAG D 4 .   ? 1.519   -7.734  -14.308 1.000 69.362  0 601 NAG EEE O5  1 ? ?  
HETATM 3547 O  O6  . NAG D 4 .   ? -1.181  -7.402  -13.245 1.000 81.617  0 601 NAG EEE O6  1 ? ?  
HETATM 3548 O  O7  . NAG D 4 .   ? 5.957   -6.084  -15.647 1.000 62.077  0 601 NAG EEE O7  1 ? ?  
HETATM 3549 C  C1  . CIT E 5 .   ? 16.829  -23.866 -30.508 1.000 62.857  0 602 CIT EEE C1  1 ? ?  
HETATM 3550 O  O1  . CIT E 5 .   ? 17.002  -24.411 -31.622 1.000 68.247  0 602 CIT EEE O1  1 ? ?  
HETATM 3551 O  O2  . CIT E 5 .   ? 15.747  -23.402 -30.130 1.000 65.671  0 602 CIT EEE O2  1 ? ?  
HETATM 3552 C  C2  . CIT E 5 .   ? 17.994  -23.752 -29.540 1.000 87.568  0 602 CIT EEE C2  1 ? ?  
HETATM 3553 C  C3  . CIT E 5 .   ? 17.951  -22.493 -28.659 1.000 90.864  0 602 CIT EEE C3  1 ? ?  
HETATM 3554 O  O7  . CIT E 5 .   ? 16.606  -22.053 -28.564 1.000 63.028  0 602 CIT EEE O7  1 ? ?  
HETATM 3555 C  C4  . CIT E 5 .   ? 18.471  -22.785 -27.244 1.000 94.021  0 602 CIT EEE C4  1 ? ?  
HETATM 3556 C  C5  . CIT E 5 .   ? 18.214  -21.679 -26.231 1.000 86.994  0 602 CIT EEE C5  1 ? ?  
HETATM 3557 O  O3  . CIT E 5 .   ? 19.187  -20.969 -25.888 1.000 64.269  0 602 CIT EEE O3  1 ? ?  
HETATM 3558 O  O4  . CIT E 5 .   ? 17.040  -21.523 -25.800 1.000 66.482  0 602 CIT EEE O4  1 ? ?  
HETATM 3559 C  C6  . CIT E 5 .   ? 18.840  -21.393 -29.295 1.000 88.597  0 602 CIT EEE C6  1 ? ?  
HETATM 3560 O  O5  . CIT E 5 .   ? 18.278  -20.342 -29.625 1.000 118.511 0 602 CIT EEE O5  1 ? ?  
HETATM 3561 O  O6  . CIT E 5 .   ? 20.061  -21.630 -29.422 1.000 69.381  0 602 CIT EEE O6  1 ? ?  
HETATM 3562 CL CL  . CL  F 6 .   ? 3.914   -40.068 -25.018 1.000 32.012  0 201 CL  FFF CL  1 ? ?  
HETATM 3563 O  O   . HOH G 7 .   ? 2.905   -20.767 17.190  1.000 63.876  0 201 HOH AAA O   1 ? ?  
HETATM 3564 O  O   . HOH G 7 .   ? 24.605  -10.561 -0.421  1.000 44.889  0 202 HOH AAA O   1 ? ?  
HETATM 3565 O  O   . HOH G 7 .   ? 18.316  -14.823 2.264   1.000 44.155  0 203 HOH AAA O   1 ? ?  
HETATM 3566 O  O   . HOH G 7 .   ? 9.319   -20.409 3.617   1.000 38.936  0 204 HOH AAA O   1 ? ?  
HETATM 3567 O  O   . HOH G 7 .   ? 13.736  -2.754  7.689   1.000 58.354  0 205 HOH AAA O   1 ? ?  
HETATM 3568 O  O   . HOH G 7 .   ? 13.610  -28.980 -2.315  1.000 44.256  0 206 HOH AAA O   1 ? ?  
HETATM 3569 O  O   . HOH G 7 .   ? 24.426  -25.934 8.680   1.000 61.064  0 207 HOH AAA O   1 ? ?  
HETATM 3570 O  O   . HOH G 7 .   ? 20.905  -25.899 -1.854  1.000 49.999  0 208 HOH AAA O   1 ? ?  
HETATM 3571 O  O   . HOH G 7 .   ? 22.638  -22.177 0.124   1.000 55.214  0 209 HOH AAA O   1 ? ?  
HETATM 3572 O  O   . HOH G 7 .   ? 8.153   -17.390 3.563   1.000 56.671  0 210 HOH AAA O   1 ? ?  
HETATM 3573 O  O   . HOH G 7 .   ? 9.423   -6.763  2.858   1.000 49.948  0 211 HOH AAA O   1 ? ?  
HETATM 3574 O  O   . HOH G 7 .   ? 12.767  -27.291 1.300   1.000 36.119  0 212 HOH AAA O   1 ? ?  
HETATM 3575 O  O   . HOH G 7 .   ? 2.524   -13.403 6.104   1.000 59.686  0 213 HOH AAA O   1 ? ?  
HETATM 3576 O  O   . HOH G 7 .   ? 12.802  -16.237 29.103  1.000 59.232  0 214 HOH AAA O   1 ? ?  
HETATM 3577 O  O   . HOH G 7 .   ? 7.367   -23.665 19.446  1.000 59.184  0 215 HOH AAA O   1 ? ?  
HETATM 3578 O  O   . HOH G 7 .   ? 8.200   -23.863 1.217   1.000 55.631  0 216 HOH AAA O   1 ? ?  
HETATM 3579 O  O   . HOH G 7 .   ? 7.086   -22.286 0.071   1.000 57.789  0 217 HOH AAA O   1 ? ?  
HETATM 3580 O  O   . HOH G 7 .   ? 14.118  -14.118 28.135  0.500 63.749  0 218 HOH AAA O   1 ? ?  
HETATM 3581 O  O   . HOH H 7 .   ? 18.420  -18.420 -28.135 0.500 40.279  0 701 HOH EEE O   1 ? ?  
HETATM 3582 O  O   . HOH H 7 .   ? 14.202  -53.120 -25.437 1.000 44.100  0 702 HOH EEE O   1 ? ?  
HETATM 3583 O  O   . HOH H 7 .   ? 13.016  -39.129 -31.611 1.000 46.488  0 703 HOH EEE O   1 ? ?  
HETATM 3584 O  O   . HOH H 7 .   ? -0.101  -28.640 -8.531  1.000 45.340  0 704 HOH EEE O   1 ? ?  
HETATM 3585 O  O   . HOH H 7 .   ? 31.573  -11.343 -24.335 1.000 49.343  0 705 HOH EEE O   1 ? ?  
HETATM 3586 O  O   . HOH H 7 .   ? 19.980  -48.283 -27.390 1.000 41.683  0 706 HOH EEE O   1 ? ?  
HETATM 3587 O  O   . HOH H 7 .   ? 2.495   -31.414 -16.574 1.000 40.071  0 707 HOH EEE O   1 ? ?  
HETATM 3588 O  O   . HOH H 7 .   ? 1.985   -35.064 -21.273 1.000 35.337  0 708 HOH EEE O   1 ? ?  
HETATM 3589 O  O   . HOH H 7 .   ? 25.742  -13.692 -17.065 1.000 35.756  0 709 HOH EEE O   1 ? ?  
HETATM 3590 O  O   . HOH H 7 .   ? -0.449  -22.971 -3.581  1.000 56.050  0 710 HOH EEE O   1 ? ?  
HETATM 3591 O  O   . HOH H 7 .   ? 19.965  -24.447 -4.059  1.000 44.111  0 711 HOH EEE O   1 ? ?  
HETATM 3592 O  O   . HOH H 7 .   ? 19.632  -16.545 -18.728 1.000 31.366  0 712 HOH EEE O   1 ? ?  
HETATM 3593 O  O   . HOH H 7 .   ? 14.952  -31.156 -5.879  1.000 35.570  0 713 HOH EEE O   1 ? ?  
HETATM 3594 O  O   . HOH H 7 .   ? 2.443   -16.851 -6.959  1.000 45.205  0 714 HOH EEE O   1 ? ?  
HETATM 3595 O  O   . HOH H 7 .   ? 8.061   -53.677 -24.166 1.000 31.605  0 715 HOH EEE O   1 ? ?  
HETATM 3596 O  O   . HOH H 7 .   ? 17.151  -21.800 -7.069  1.000 32.974  0 716 HOH EEE O   1 ? ?  
HETATM 3597 O  O   . HOH H 7 .   ? -1.213  -34.728 -8.983  1.000 54.168  0 717 HOH EEE O   1 ? ?  
HETATM 3598 O  O   . HOH H 7 .   ? 23.026  0.952   -7.795  1.000 50.064  0 718 HOH EEE O   1 ? ?  
HETATM 3599 O  O   . HOH H 7 .   ? 9.922   -19.819 -4.150  1.000 43.788  0 719 HOH EEE O   1 ? ?  
HETATM 3600 O  O   . HOH H 7 .   ? 17.571  -38.306 -22.703 1.000 26.280  0 720 HOH EEE O   1 ? ?  
HETATM 3601 O  O   . HOH H 7 .   ? 6.997   -29.961 -24.605 1.000 41.622  0 721 HOH EEE O   1 ? ?  
HETATM 3602 O  O   . HOH H 7 .   ? -7.044  -32.790 -16.662 1.000 62.063  0 722 HOH EEE O   1 ? ?  
HETATM 3603 O  O   . HOH H 7 .   ? 26.976  -25.482 -11.868 1.000 38.040  0 723 HOH EEE O   1 ? ?  
HETATM 3604 O  O   . HOH H 7 .   ? 27.522  -14.416 -23.750 1.000 41.665  0 724 HOH EEE O   1 ? ?  
HETATM 3605 O  O   . HOH H 7 .   ? 10.093  -24.020 -26.005 1.000 40.029  0 725 HOH EEE O   1 ? ?  
HETATM 3606 O  O   . HOH H 7 .   ? 4.261   -34.763 -10.640 1.000 34.542  0 726 HOH EEE O   1 ? ?  
HETATM 3607 O  O   . HOH H 7 .   ? 9.190   -46.947 -20.785 1.000 26.339  0 727 HOH EEE O   1 ? ?  
HETATM 3608 O  O   . HOH H 7 .   ? 19.311  -36.992 -24.510 1.000 35.878  0 728 HOH EEE O   1 ? ?  
HETATM 3609 O  O   . HOH H 7 .   ? 21.627  -3.782  -17.048 1.000 60.950  0 729 HOH EEE O   1 ? ?  
HETATM 3610 O  O   . HOH H 7 .   ? 5.417   -17.934 -4.735  1.000 40.021  0 730 HOH EEE O   1 ? ?  
HETATM 3611 O  O   . HOH H 7 .   ? 29.695  -15.500 -15.144 1.000 59.812  0 731 HOH EEE O   1 ? ?  
HETATM 3612 O  O   . HOH H 7 .   ? 17.210  -29.194 -21.906 1.000 25.588  0 732 HOH EEE O   1 ? ?  
HETATM 3613 O  O   . HOH H 7 .   ? 18.732  -24.370 -33.658 1.000 56.691  0 733 HOH EEE O   1 ? ?  
HETATM 3614 O  O   . HOH H 7 .   ? 20.757  -25.519 -19.629 1.000 36.191  0 734 HOH EEE O   1 ? ?  
HETATM 3615 O  O   . HOH H 7 .   ? 7.501   -37.492 -11.845 1.000 22.799  0 735 HOH EEE O   1 ? ?  
HETATM 3616 O  O   . HOH H 7 .   ? 21.098  -29.275 -27.735 1.000 62.272  0 736 HOH EEE O   1 ? ?  
HETATM 3617 O  O   . HOH H 7 .   ? 16.315  -41.106 -13.763 1.000 59.750  0 737 HOH EEE O   1 ? ?  
HETATM 3618 O  O   . HOH H 7 .   ? 24.370  -27.409 -11.336 1.000 42.429  0 738 HOH EEE O   1 ? ?  
HETATM 3619 O  O   . HOH H 7 .   ? 14.136  -33.432 -9.781  1.000 39.895  0 739 HOH EEE O   1 ? ?  
HETATM 3620 O  O   . HOH H 7 .   ? 21.930  -12.978 -29.033 1.000 35.509  0 740 HOH EEE O   1 ? ?  
HETATM 3621 O  O   . HOH H 7 .   ? 15.660  -6.789  -27.775 1.000 61.838  0 741 HOH EEE O   1 ? ?  
HETATM 3622 O  O   . HOH H 7 .   ? -6.491  -34.710 -5.680  1.000 64.219  0 742 HOH EEE O   1 ? ?  
HETATM 3623 O  O   . HOH H 7 .   ? 17.305  -40.512 -24.560 1.000 31.610  0 743 HOH EEE O   1 ? ?  
HETATM 3624 O  O   . HOH H 7 .   ? 32.397  -3.056  -32.897 1.000 35.898  0 744 HOH EEE O   1 ? ?  
HETATM 3625 O  O   . HOH H 7 .   ? 16.053  -9.461  1.305   1.000 43.583  0 745 HOH EEE O   1 ? ?  
HETATM 3626 O  O   . HOH H 7 .   ? 8.976   -32.734 -27.607 1.000 29.189  0 746 HOH EEE O   1 ? ?  
HETATM 3627 O  O   . HOH H 7 .   ? 6.677   -17.898 -21.723 1.000 38.710  0 747 HOH EEE O   1 ? ?  
HETATM 3628 O  O   . HOH H 7 .   ? 11.417  -42.430 -29.439 1.000 35.232  0 748 HOH EEE O   1 ? ?  
HETATM 3629 O  O   . HOH H 7 .   ? 10.117  -49.911 -32.469 1.000 44.209  0 749 HOH EEE O   1 ? ?  
HETATM 3630 O  O   . HOH H 7 .   ? 2.744   -7.510  -17.980 1.000 52.103  0 750 HOH EEE O   1 ? ?  
HETATM 3631 O  O   . HOH H 7 .   ? 11.430  -14.808 -0.370  1.000 53.119  0 751 HOH EEE O   1 ? ?  
HETATM 3632 O  O   . HOH H 7 .   ? 11.704  -16.374 -26.130 1.000 42.536  0 752 HOH EEE O   1 ? ?  
HETATM 3633 O  O   . HOH H 7 .   ? 6.143   -42.870 -16.111 1.000 25.629  0 753 HOH EEE O   1 ? ?  
HETATM 3634 O  O   . HOH H 7 .   ? 28.342  -18.825 -9.364  1.000 56.657  0 754 HOH EEE O   1 ? ?  
HETATM 3635 O  O   . HOH H 7 .   ? 11.998  -16.592 -21.567 1.000 30.369  0 755 HOH EEE O   1 ? ?  
HETATM 3636 O  O   . HOH H 7 .   ? -3.291  -31.767 -19.730 1.000 44.047  0 756 HOH EEE O   1 ? ?  
HETATM 3637 O  O   . HOH H 7 .   ? 5.529   -6.107  -3.710  1.000 65.224  0 757 HOH EEE O   1 ? ?  
HETATM 3638 O  O   . HOH H 7 .   ? 27.990  -30.077 -17.051 1.000 54.993  0 758 HOH EEE O   1 ? ?  
HETATM 3639 O  O   . HOH H 7 .   ? 19.759  -50.981 -21.848 1.000 34.889  0 759 HOH EEE O   1 ? ?  
HETATM 3640 O  O   . HOH H 7 .   ? -0.633  -23.357 -18.064 1.000 40.745  0 760 HOH EEE O   1 ? ?  
HETATM 3641 O  O   . HOH H 7 .   ? 16.612  -38.413 -26.258 1.000 38.076  0 761 HOH EEE O   1 ? ?  
HETATM 3642 O  O   . HOH H 7 .   ? 21.689  -1.370  -1.736  1.000 52.323  0 762 HOH EEE O   1 ? ?  
HETATM 3643 O  O   . HOH H 7 .   ? 16.532  -31.833 -21.427 1.000 32.729  0 763 HOH EEE O   1 ? ?  
HETATM 3644 O  O   . HOH H 7 .   ? 8.191   -16.267 -20.149 1.000 34.326  0 764 HOH EEE O   1 ? ?  
HETATM 3645 O  O   . HOH H 7 .   ? 15.875  -15.875 -28.135 0.500 46.425  0 765 HOH EEE O   1 ? ?  
HETATM 3646 O  O   . HOH H 7 .   ? 21.699  -31.671 -26.368 1.000 53.469  0 766 HOH EEE O   1 ? ?  
HETATM 3647 O  O   . HOH H 7 .   ? 20.122  -21.893 -3.469  1.000 37.612  0 767 HOH EEE O   1 ? ?  
HETATM 3648 O  O   . HOH H 7 .   ? 29.646  -11.004 -21.305 1.000 48.035  0 768 HOH EEE O   1 ? ?  
HETATM 3649 O  O   . HOH H 7 .   ? 8.942   -37.202 -6.834  1.000 59.335  0 769 HOH EEE O   1 ? ?  
HETATM 3650 O  O   . HOH H 7 .   ? 20.237  -25.551 -12.679 1.000 29.597  0 770 HOH EEE O   1 ? ?  
HETATM 3651 O  O   . HOH H 7 .   ? 15.908  -30.843 -2.454  1.000 55.936  0 771 HOH EEE O   1 ? ?  
HETATM 3652 O  O   . HOH H 7 .   ? 22.832  -21.248 -4.021  1.000 36.116  0 772 HOH EEE O   1 ? ?  
HETATM 3653 O  O   . HOH H 7 .   ? 8.268   -28.298 -17.470 1.000 24.785  0 773 HOH EEE O   1 ? ?  
HETATM 3654 O  O   . HOH H 7 .   ? 12.810  -2.299  -15.891 1.000 53.617  0 774 HOH EEE O   1 ? ?  
HETATM 3655 O  O   . HOH H 7 .   ? -0.308  -19.920 -7.344  1.000 51.114  0 775 HOH EEE O   1 ? ?  
HETATM 3656 O  O   . HOH H 7 .   ? 14.048  -19.517 -26.816 1.000 34.598  0 776 HOH EEE O   1 ? ?  
HETATM 3657 O  O   . HOH H 7 .   ? 17.471  -26.989 -28.332 1.000 31.138  0 777 HOH EEE O   1 ? ?  
HETATM 3658 O  O   . HOH H 7 .   ? 25.250  -56.075 -23.210 1.000 49.127  0 778 HOH EEE O   1 ? ?  
HETATM 3659 O  O   . HOH H 7 .   ? 25.969  -32.665 -22.492 1.000 46.996  0 779 HOH EEE O   1 ? ?  
HETATM 3660 O  O   . HOH H 7 .   ? 24.286  -30.865 -15.736 1.000 38.299  0 780 HOH EEE O   1 ? ?  
HETATM 3661 O  O   . HOH H 7 .   ? 13.695  -10.644 -28.079 1.000 51.140  0 781 HOH EEE O   1 ? ?  
HETATM 3662 O  O   . HOH H 7 .   ? 4.774   -32.173 -9.578  1.000 36.422  0 782 HOH EEE O   1 ? ?  
HETATM 3663 O  O   . HOH H 7 .   ? 4.599   -37.360 -12.755 1.000 43.993  0 783 HOH EEE O   1 ? ?  
HETATM 3664 O  O   . HOH H 7 .   ? 1.199   -33.638 -10.227 1.000 36.187  0 784 HOH EEE O   1 ? ?  
HETATM 3665 O  O   . HOH H 7 .   ? 22.799  -25.623 -12.182 1.000 38.827  0 785 HOH EEE O   1 ? ?  
HETATM 3666 O  O   . HOH H 7 .   ? 21.010  -39.341 -23.459 1.000 39.917  0 786 HOH EEE O   1 ? ?  
HETATM 3667 O  O   . HOH H 7 .   ? 6.524   -20.351 -2.162  1.000 41.155  0 787 HOH EEE O   1 ? ?  
HETATM 3668 O  O   . HOH H 7 .   ? -9.084  -26.939 -13.520 1.000 50.111  0 788 HOH EEE O   1 ? ?  
HETATM 3669 O  O   . HOH H 7 .   ? 20.560  -43.830 -24.533 1.000 39.381  0 789 HOH EEE O   1 ? ?  
HETATM 3670 O  O   . HOH H 7 .   ? 28.416  -15.953 -6.800  1.000 53.558  0 790 HOH EEE O   1 ? ?  
HETATM 3671 O  O   . HOH H 7 .   ? 15.065  -37.109 -31.029 1.000 36.400  0 791 HOH EEE O   1 ? ?  
HETATM 3672 O  O   . HOH H 7 .   ? 13.152  -26.223 -3.915  1.000 31.872  0 792 HOH EEE O   1 ? ?  
HETATM 3673 O  O   . HOH H 7 .   ? 8.641   -19.763 -21.408 1.000 33.214  0 793 HOH EEE O   1 ? ?  
HETATM 3674 O  O   . HOH H 7 .   ? 22.810  -30.497 -5.096  1.000 44.577  0 794 HOH EEE O   1 ? ?  
HETATM 3675 O  O   . HOH H 7 .   ? 21.777  -26.661 -26.710 1.000 40.703  0 795 HOH EEE O   1 ? ?  
HETATM 3676 O  O   . HOH H 7 .   ? 10.968  -32.664 -29.396 1.000 47.930  0 796 HOH EEE O   1 ? ?  
HETATM 3677 O  O   . HOH H 7 .   ? 19.505  -49.374 -30.025 1.000 40.532  0 797 HOH EEE O   1 ? ?  
HETATM 3678 O  O   . HOH H 7 .   ? -2.889  -34.270 -5.619  1.000 49.751  0 798 HOH EEE O   1 ? ?  
HETATM 3679 O  O   . HOH H 7 .   ? 32.310  -4.498  -24.092 1.000 50.021  0 799 HOH EEE O   1 ? ?  
HETATM 3680 O  O   . HOH H 7 .   ? 16.816  -5.830  -32.010 1.000 53.180  0 800 HOH EEE O   1 ? ?  
HETATM 3681 O  O   . HOH H 7 .   ? 18.192  -31.294 -28.843 1.000 34.958  0 801 HOH EEE O   1 ? ?  
HETATM 3682 O  O   . HOH H 7 .   ? 19.985  -41.037 -16.571 1.000 39.814  0 802 HOH EEE O   1 ? ?  
HETATM 3683 O  O   . HOH H 7 .   ? 28.219  -36.337 -17.431 1.000 46.032  0 803 HOH EEE O   1 ? ?  
HETATM 3684 O  O   . HOH H 7 .   ? 11.939  -55.818 -21.380 1.000 41.996  0 804 HOH EEE O   1 ? ?  
HETATM 3685 O  O   . HOH H 7 .   ? 30.536  -24.762 -15.043 1.000 47.474  0 805 HOH EEE O   1 ? ?  
HETATM 3686 O  O   . HOH H 7 .   ? 24.116  -53.656 -18.315 1.000 60.313  0 806 HOH EEE O   1 ? ?  
HETATM 3687 O  O   . HOH H 7 .   ? -1.238  -24.830 -1.346  1.000 56.397  0 807 HOH EEE O   1 ? ?  
HETATM 3688 O  O   . HOH H 7 .   ? 10.279  -49.412 -20.006 1.000 27.643  0 808 HOH EEE O   1 ? ?  
HETATM 3689 O  O   . HOH H 7 .   ? 1.428   -28.440 0.911   1.000 48.993  0 809 HOH EEE O   1 ? ?  
HETATM 3690 O  O   . HOH H 7 .   ? 14.183  -12.913 -28.079 1.000 36.028  0 810 HOH EEE O   1 ? ?  
HETATM 3691 O  O   . HOH H 7 .   ? 15.528  -34.667 -9.029  1.000 34.692  0 811 HOH EEE O   1 ? ?  
HETATM 3692 O  O   . HOH H 7 .   ? 28.576  -0.509  -16.940 1.000 46.871  0 812 HOH EEE O   1 ? ?  
HETATM 3693 O  O   . HOH H 7 .   ? 2.126   -14.485 -23.353 1.000 52.268  0 813 HOH EEE O   1 ? ?  
HETATM 3694 O  O   . HOH H 7 .   ? 1.257   -33.863 -4.223  1.000 39.272  0 814 HOH EEE O   1 ? ?  
HETATM 3695 O  O   . HOH H 7 .   ? 4.836   -31.224 -0.743  1.000 41.263  0 815 HOH EEE O   1 ? ?  
HETATM 3696 O  O   . HOH H 7 .   ? 16.454  -47.216 -29.634 1.000 41.169  0 816 HOH EEE O   1 ? ?  
HETATM 3697 O  O   . HOH H 7 .   ? -0.027  -25.344 -19.696 1.000 38.912  0 817 HOH EEE O   1 ? ?  
HETATM 3698 O  O   . HOH H 7 .   ? 14.112  -5.725  -25.340 1.000 47.166  0 818 HOH EEE O   1 ? ?  
HETATM 3699 O  O   . HOH H 7 .   ? 16.205  -10.502 -32.321 1.000 37.369  0 819 HOH EEE O   1 ? ?  
HETATM 3700 O  O   . HOH H 7 .   ? 15.932  -18.508 -28.517 1.000 40.072  0 820 HOH EEE O   1 ? ?  
HETATM 3701 O  O   . HOH H 7 .   ? 13.128  -3.346  -25.444 1.000 57.477  0 821 HOH EEE O   1 ? ?  
HETATM 3702 O  O   . HOH H 7 .   ? 11.974  -33.867 -7.896  1.000 46.876  0 822 HOH EEE O   1 ? ?  
HETATM 3703 O  O   . HOH H 7 .   ? 7.195   -26.991 -24.049 1.000 39.470  0 823 HOH EEE O   1 ? ?  
HETATM 3704 O  O   . HOH H 7 .   ? 20.831  -53.342 -20.263 1.000 49.143  0 824 HOH EEE O   1 ? ?  
HETATM 3705 O  O   . HOH H 7 .   ? 27.175  -16.749 -16.426 1.000 37.712  0 825 HOH EEE O   1 ? ?  
HETATM 3706 O  O   . HOH H 7 .   ? 20.468  1.668   -7.194  1.000 53.408  0 826 HOH EEE O   1 ? ?  
HETATM 3707 O  O   . HOH H 7 .   ? 21.867  7.851   -20.415 1.000 81.893  0 827 HOH EEE O   1 ? ?  
HETATM 3708 O  O   . HOH H 7 .   ? 17.457  -33.037 -30.995 1.000 48.611  0 828 HOH EEE O   1 ? ?  
HETATM 3709 O  O   . HOH H 7 .   ? 19.891  -41.174 -24.920 1.000 39.840  0 829 HOH EEE O   1 ? ?  
HETATM 3710 O  O   . HOH H 7 .   ? -1.051  -28.165 1.045   1.000 58.558  0 830 HOH EEE O   1 ? ?  
HETATM 3711 O  O   . HOH I 7 .   ? -12.007 -51.132 -18.480 1.000 48.972  0 301 HOH FFF O   1 ? ?  
HETATM 3712 O  O   . HOH I 7 .   ? -8.421  -38.612 -38.406 1.000 41.156  0 302 HOH FFF O   1 ? ?  
HETATM 3713 O  O   . HOH I 7 .   ? -6.928  -58.141 -40.365 1.000 49.752  0 303 HOH FFF O   1 ? ?  
HETATM 3714 O  O   . HOH I 7 .   ? -5.420  -40.365 -16.785 1.000 38.284  0 304 HOH FFF O   1 ? ?  
HETATM 3715 O  O   . HOH I 7 .   ? 0.932   -58.415 -40.131 1.000 46.981  0 305 HOH FFF O   1 ? ?  
HETATM 3716 O  O   . HOH I 7 .   ? -14.159 -42.506 -30.185 1.000 48.652  0 306 HOH FFF O   1 ? ?  
HETATM 3717 O  O   . HOH I 7 .   ? 1.350   -42.224 -32.438 1.000 35.421  0 307 HOH FFF O   1 ? ?  
HETATM 3718 O  O   . HOH I 7 .   ? -1.459  -54.787 -19.964 1.000 42.506  0 308 HOH FFF O   1 ? ?  
HETATM 3719 O  O   . HOH I 7 .   ? 8.391   -41.542 -42.283 1.000 55.362  0 309 HOH FFF O   1 ? ?  
HETATM 3720 O  O   . HOH I 7 .   ? -7.801  -61.336 -24.412 1.000 45.080  0 310 HOH FFF O   1 ? ?  
HETATM 3721 O  O   . HOH I 7 .   ? 4.206   -34.388 -30.361 1.000 41.495  0 311 HOH FFF O   1 ? ?  
HETATM 3722 O  O   . HOH I 7 .   ? 7.745   -46.947 -41.736 1.000 39.085  0 312 HOH FFF O   1 ? ?  
HETATM 3723 O  O   . HOH I 7 .   ? -2.609  -62.899 -24.031 1.000 43.766  0 313 HOH FFF O   1 ? ?  
HETATM 3724 O  O   . HOH I 7 .   ? -14.847 -47.359 -29.479 1.000 38.830  0 314 HOH FFF O   1 ? ?  
HETATM 3725 O  O   . HOH I 7 .   ? 7.034   -57.833 -29.131 1.000 36.372  0 315 HOH FFF O   1 ? ?  
HETATM 3726 O  O   . HOH I 7 .   ? -16.380 -59.910 -27.212 1.000 49.124  0 316 HOH FFF O   1 ? ?  
HETATM 3727 O  O   . HOH I 7 .   ? 10.687  -38.622 -39.289 1.000 66.738  0 317 HOH FFF O   1 ? ?  
HETATM 3728 O  O   . HOH I 7 .   ? -12.613 -46.713 -35.916 1.000 25.773  0 318 HOH FFF O   1 ? ?  
HETATM 3729 O  O   . HOH I 7 .   ? 1.440   -66.839 -36.016 1.000 45.824  0 319 HOH FFF O   1 ? ?  
HETATM 3730 O  O   . HOH I 7 .   ? -11.579 -41.763 -33.093 1.000 43.108  0 320 HOH FFF O   1 ? ?  
HETATM 3731 O  O   . HOH I 7 .   ? 1.625   -38.360 -26.523 1.000 29.196  0 321 HOH FFF O   1 ? ?  
HETATM 3732 O  O   . HOH I 7 .   ? -8.590  -37.722 -27.605 1.000 54.874  0 322 HOH FFF O   1 ? ?  
HETATM 3733 O  O   . HOH I 7 .   ? -12.803 -49.700 -40.632 1.000 37.720  0 323 HOH FFF O   1 ? ?  
HETATM 3734 O  O   . HOH I 7 .   ? -1.234  -43.032 -46.539 1.000 31.440  0 324 HOH FFF O   1 ? ?  
HETATM 3735 O  O   . HOH I 7 .   ? -5.623  -54.610 -40.806 1.000 26.849  0 325 HOH FFF O   1 ? ?  
HETATM 3736 O  O   . HOH I 7 .   ? -1.389  -44.897 -14.177 1.000 33.616  0 326 HOH FFF O   1 ? ?  
HETATM 3737 O  O   . HOH I 7 .   ? -14.340 -47.220 -26.594 1.000 42.241  0 327 HOH FFF O   1 ? ?  
HETATM 3738 O  O   . HOH I 7 .   ? 8.315   -56.201 -18.218 1.000 31.224  0 328 HOH FFF O   1 ? ?  
HETATM 3739 O  O   . HOH I 7 .   ? -1.753  -39.460 -38.369 1.000 31.244  0 329 HOH FFF O   1 ? ?  
HETATM 3740 O  O   . HOH I 7 .   ? 6.834   -56.542 -21.712 1.000 37.185  0 330 HOH FFF O   1 ? ?  
HETATM 3741 O  O   . HOH I 7 .   ? -9.779  -57.715 -21.007 1.000 44.987  0 331 HOH FFF O   1 ? ?  
HETATM 3742 O  O   . HOH I 7 .   ? 8.339   -42.388 -38.510 1.000 43.036  0 332 HOH FFF O   1 ? ?  
HETATM 3743 O  O   . HOH I 7 .   ? 8.516   -53.639 -19.320 1.000 31.332  0 333 HOH FFF O   1 ? ?  
HETATM 3744 O  O   . HOH I 7 .   ? 1.345   -38.331 -38.410 1.000 32.634  0 334 HOH FFF O   1 ? ?  
HETATM 3745 O  O   . HOH I 7 .   ? -17.907 -58.794 -30.815 1.000 58.074  0 335 HOH FFF O   1 ? ?  
HETATM 3746 O  O   . HOH I 7 .   ? 1.187   -50.250 -19.857 1.000 42.194  0 336 HOH FFF O   1 ? ?  
HETATM 3747 O  O   . HOH I 7 .   ? -10.502 -43.280 -21.535 1.000 42.041  0 337 HOH FFF O   1 ? ?  
HETATM 3748 O  O   . HOH I 7 .   ? -13.180 -51.454 -36.115 1.000 45.437  0 338 HOH FFF O   1 ? ?  
HETATM 3749 O  O   . HOH I 7 .   ? -4.909  -38.091 -23.356 1.000 43.714  0 339 HOH FFF O   1 ? ?  
HETATM 3750 O  O   . HOH I 7 .   ? -3.378  -43.915 -15.528 1.000 41.616  0 340 HOH FFF O   1 ? ?  
HETATM 3751 O  O   . HOH I 7 .   ? 3.777   -33.661 -36.820 1.000 57.910  0 341 HOH FFF O   1 ? ?  
HETATM 3752 O  O   . HOH I 7 .   ? -2.983  -67.317 -39.558 1.000 49.105  0 342 HOH FFF O   1 ? ?  
HETATM 3753 O  O   . HOH I 7 .   ? 4.585   -50.659 -41.236 1.000 40.255  0 343 HOH FFF O   1 ? ?  
HETATM 3754 O  O   . HOH I 7 .   ? 6.500   -44.242 -39.342 1.000 33.585  0 344 HOH FFF O   1 ? ?  
HETATM 3755 O  O   . HOH I 7 .   ? 9.503   -48.152 -34.351 1.000 45.336  0 345 HOH FFF O   1 ? ?  
HETATM 3756 O  O   . HOH I 7 .   ? 7.861   -46.099 -37.574 1.000 37.165  0 346 HOH FFF O   1 ? ?  
HETATM 3757 O  O   . HOH I 7 .   ? 10.492  -42.366 -36.796 1.000 51.566  0 347 HOH FFF O   1 ? ?  
HETATM 3758 O  O   . HOH I 7 .   ? -15.150 -53.375 -35.928 1.000 48.342  0 348 HOH FFF O   1 ? ?  
HETATM 3759 O  O   . HOH I 7 .   ? 14.099  -44.379 -30.024 1.000 35.831  0 349 HOH FFF O   1 ? ?  
HETATM 3760 O  O   . HOH I 7 .   ? -6.050  -50.038 -18.700 1.000 35.298  0 350 HOH FFF O   1 ? ?  
HETATM 3761 O  O   . HOH I 7 .   ? 5.230   -54.668 -18.491 1.000 55.435  0 351 HOH FFF O   1 ? ?  
HETATM 3762 O  O   . HOH I 7 .   ? 0.367   -39.128 -13.245 1.000 53.768  0 352 HOH FFF O   1 ? ?  
HETATM 3763 O  O   . HOH I 7 .   ? -15.925 -56.786 -34.571 1.000 40.105  0 353 HOH FFF O   1 ? ?  
HETATM 3764 O  O   . HOH I 7 .   ? 7.347   -48.781 -37.870 1.000 34.573  0 354 HOH FFF O   1 ? ?  
HETATM 3765 O  O   . HOH I 7 .   ? 3.669   -41.556 -14.847 1.000 29.236  0 355 HOH FFF O   1 ? ?  
HETATM 3766 O  O   . HOH I 7 .   ? -2.215  -32.742 -40.345 1.000 55.824  0 356 HOH FFF O   1 ? ?  
HETATM 3767 O  O   . HOH I 7 .   ? -10.932 -36.225 -37.329 1.000 42.926  0 357 HOH FFF O   1 ? ?  
HETATM 3768 O  O   . HOH I 7 .   ? 3.020   -43.635 -33.700 1.000 42.804  0 358 HOH FFF O   1 ? ?  
HETATM 3769 O  O   . HOH I 7 .   ? 2.250   -55.997 -18.797 1.000 38.795  0 359 HOH FFF O   1 ? ?  
HETATM 3770 O  O   . HOH I 7 .   ? -14.327 -61.397 -26.809 1.000 47.881  0 360 HOH FFF O   1 ? ?  
HETATM 3771 O  O   . HOH I 7 .   ? -6.546  -45.258 -14.255 1.000 49.366  0 361 HOH FFF O   1 ? ?  
HETATM 3772 O  O   . HOH I 7 .   ? 2.251   -31.150 -45.441 1.000 57.256  0 362 HOH FFF O   1 ? ?  
HETATM 3773 O  O   . HOH I 7 .   ? -12.285 -39.249 -26.464 1.000 46.574  0 363 HOH FFF O   1 ? ?  
HETATM 3774 O  O   . HOH I 7 .   ? -3.698  -51.874 -18.588 1.000 38.548  0 364 HOH FFF O   1 ? ?  
HETATM 3775 O  O   . HOH I 7 .   ? 0.624   -60.356 -37.956 1.000 56.895  0 365 HOH FFF O   1 ? ?  
HETATM 3776 O  O   . HOH I 7 .   ? 0.351   -58.434 -19.409 1.000 45.886  0 366 HOH FFF O   1 ? ?  
HETATM 3777 O  O   . HOH I 7 .   ? -13.223 -63.678 -39.843 1.000 42.518  0 367 HOH FFF O   1 ? ?  
HETATM 3778 O  O   . HOH I 7 .   ? -5.827  -36.133 -21.867 1.000 59.264  0 368 HOH FFF O   1 ? ?  
HETATM 3779 O  O   . HOH I 7 .   ? 7.357   -38.655 -36.251 1.000 50.939  0 369 HOH FFF O   1 ? ?  
HETATM 3780 O  O   . HOH I 7 .   ? 1.615   -54.442 -42.923 1.000 48.549  0 370 HOH FFF O   1 ? ?  
HETATM 3781 O  O   . HOH I 7 .   ? -10.225 -37.107 -40.073 1.000 43.765  0 371 HOH FFF O   1 ? ?  
HETATM 3782 O  O   . HOH I 7 .   ? -16.643 -49.515 -30.039 1.000 32.614  0 372 HOH FFF O   1 ? ?  
HETATM 3783 O  O   . HOH I 7 .   ? 9.108   -55.295 -21.742 1.000 36.897  0 373 HOH FFF O   1 ? ?  
HETATM 3784 O  O   . HOH I 7 .   ? 9.728   -56.725 -28.473 1.000 46.975  0 374 HOH FFF O   1 ? ?  
HETATM 3785 O  O   . HOH I 7 .   ? -13.515 -41.309 -27.620 1.000 42.359  0 375 HOH FFF O   1 ? ?  
HETATM 3786 O  O   . HOH I 7 .   ? -13.206 -53.918 -38.366 1.000 57.050  0 376 HOH FFF O   1 ? ?  
HETATM 3787 O  O   . HOH I 7 .   ? -16.503 -55.851 -17.258 1.000 78.050  0 377 HOH FFF O   1 ? ?  
HETATM 3788 O  O   . HOH I 7 .   ? 7.178   -54.807 -37.237 1.000 55.167  0 378 HOH FFF O   1 ? ?  
HETATM 3789 O  O   . HOH I 7 .   ? -12.204 -41.361 -23.307 1.000 59.415  0 379 HOH FFF O   1 ? ?  
HETATM 3790 O  O   . HOH I 7 .   ? 8.481   -50.229 -35.791 1.000 51.747  0 380 HOH FFF O   1 ? ?  
HETATM 3791 O  O   . HOH I 7 .   ? 7.444   -35.802 -37.011 1.000 60.113  0 381 HOH FFF O   1 ? ?  
HETATM 3792 O  O   . HOH I 7 .   ? -8.436  -38.644 -21.256 1.000 60.393  0 382 HOH FFF O   1 ? ?  
HETATM 3793 O  O   . HOH I 7 .   ? -6.151  -37.431 -26.689 1.000 55.961  0 383 HOH FFF O   1 ? ?  
HETATM 3794 O  O   . HOH I 7 .   ? -13.629 -46.008 -22.235 1.000 54.467  0 384 HOH FFF O   1 ? ?  
HETATM 3795 O  O   . HOH I 7 .   ? -6.761  -37.335 -19.744 1.000 58.706  0 385 HOH FFF O   1 ? ?  
HETATM 3796 O  O   . HOH I 7 .   ? -6.101  -35.237 -28.545 1.000 57.254  0 386 HOH FFF O   1 ? ?  
HETATM 3797 O  O   . HOH I 7 .   ? 1.514   -53.136 -19.559 1.000 56.687  0 387 HOH FFF O   1 ? ?  
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . GLN A 1   ? 1.140 1.305 1.273 0.069  0.013  0.052  1   GLN AAA N   
2    C CA  . GLN A 1   ? 1.121 1.334 1.253 0.045  -0.008 0.032  1   GLN AAA CA  
3    C C   . GLN A 1   ? 1.095 1.293 1.158 0.018  -0.030 0.021  1   GLN AAA C   
4    O O   . GLN A 1   ? 1.152 1.389 1.206 0.017  -0.062 0.029  1   GLN AAA O   
5    C CB  . GLN A 1   ? 1.134 1.341 1.292 0.031  0.023  0.005  1   GLN AAA CB  
6    C CG  . GLN A 1   ? 1.156 1.387 1.392 0.058  0.045  0.015  1   GLN AAA CG  
7    C CD  . GLN A 1   ? 1.171 1.380 1.424 0.043  0.087  -0.015 1   GLN AAA CD  
8    O OE1 . GLN A 1   ? 1.182 1.343 1.397 0.027  0.111  -0.037 1   GLN AAA OE1 
9    N NE2 . GLN A 1   ? 1.151 1.404 1.464 0.049  0.095  -0.018 1   GLN AAA NE2 
10   N N   . VAL A 2   ? 1.024 1.176 1.043 -0.002 -0.013 0.001  2   VAL AAA N   
11   C CA  . VAL A 2   ? 0.982 1.119 0.939 -0.021 -0.029 -0.005 2   VAL AAA CA  
12   C C   . VAL A 2   ? 0.958 1.079 0.888 -0.010 -0.045 0.013  2   VAL AAA C   
13   O O   . VAL A 2   ? 0.973 1.065 0.914 0.004  -0.026 0.021  2   VAL AAA O   
14   C CB  . VAL A 2   ? 0.988 1.098 0.905 -0.038 -0.008 -0.026 2   VAL AAA CB  
15   C CG1 . VAL A 2   ? 0.959 1.057 0.819 -0.049 -0.024 -0.024 2   VAL AAA CG1 
16   C CG2 . VAL A 2   ? 1.010 1.135 0.942 -0.048 0.011  -0.039 2   VAL AAA CG2 
17   N N   . GLN A 3   ? 0.937 1.072 0.837 -0.017 -0.072 0.017  3   GLN AAA N   
18   C CA  . GLN A 3   ? 0.939 1.064 0.806 -0.007 -0.088 0.035  3   GLN AAA CA  
19   C C   . GLN A 3   ? 0.908 1.025 0.726 -0.028 -0.101 0.023  3   GLN AAA C   
20   O O   . GLN A 3   ? 0.899 1.035 0.720 -0.044 -0.107 0.008  3   GLN AAA O   
21   C CB  . GLN A 3   ? 0.971 1.149 0.867 0.015  -0.110 0.059  3   GLN AAA CB  
22   C CG  . GLN A 3   ? 1.011 1.178 0.880 0.037  -0.116 0.089  3   GLN AAA CG  
23   C CD  . GLN A 3   ? 1.046 1.285 0.940 0.065  -0.140 0.117  3   GLN AAA CD  
24   O OE1 . GLN A 3   ? 1.052 1.346 0.996 0.073  -0.147 0.115  3   GLN AAA OE1 
25   N NE2 . GLN A 3   ? 1.085 1.336 0.944 0.083  -0.154 0.144  3   GLN AAA NE2 
26   N N   . LEU A 4   ? 0.896 0.983 0.675 -0.028 -0.101 0.028  4   LEU AAA N   
27   C CA  . LEU A 4   ? 0.897 0.974 0.630 -0.043 -0.111 0.019  4   LEU AAA CA  
28   C C   . LEU A 4   ? 0.924 1.010 0.635 -0.033 -0.129 0.036  4   LEU AAA C   
29   O O   . LEU A 4   ? 0.936 1.001 0.643 -0.019 -0.119 0.053  4   LEU AAA O   
30   C CB  . LEU A 4   ? 0.902 0.948 0.608 -0.050 -0.094 0.009  4   LEU AAA CB  
31   C CG  . LEU A 4   ? 0.880 0.928 0.596 -0.055 -0.076 -0.005 4   LEU AAA CG  
32   C CD1 . LEU A 4   ? 0.890 0.932 0.577 -0.061 -0.064 -0.018 4   LEU AAA CD1 
33   C CD2 . LEU A 4   ? 0.881 0.941 0.602 -0.063 -0.077 -0.008 4   LEU AAA CD2 
34   N N   . VAL A 5   ? 0.938 1.052 0.634 -0.043 -0.148 0.028  5   VAL AAA N   
35   C CA  . VAL A 5   ? 0.970 1.107 0.638 -0.036 -0.167 0.041  5   VAL AAA CA  
36   C C   . VAL A 5   ? 0.970 1.078 0.594 -0.053 -0.164 0.026  5   VAL AAA C   
37   O O   . VAL A 5   ? 0.945 1.052 0.567 -0.073 -0.162 0.002  5   VAL AAA O   
38   C CB  . VAL A 5   ? 0.972 1.183 0.660 -0.035 -0.192 0.037  5   VAL AAA CB  
39   C CG1 . VAL A 5   ? 1.011 1.256 0.657 -0.032 -0.212 0.042  5   VAL AAA CG1 
40   C CG2 . VAL A 5   ? 0.972 1.219 0.707 -0.009 -0.194 0.059  5   VAL AAA CG2 
41   N N   . GLU A 6   ? 0.990 1.070 0.584 -0.044 -0.157 0.041  6   GLU AAA N   
42   C CA  . GLU A 6   ? 1.025 1.077 0.580 -0.056 -0.151 0.030  6   GLU AAA CA  
43   C C   . GLU A 6   ? 1.063 1.142 0.584 -0.055 -0.166 0.035  6   GLU AAA C   
44   O O   . GLU A 6   ? 1.086 1.194 0.608 -0.036 -0.177 0.059  6   GLU AAA O   
45   C CB  . GLU A 6   ? 1.045 1.059 0.595 -0.050 -0.130 0.038  6   GLU AAA CB  
46   C CG  . GLU A 6   ? 1.056 1.053 0.594 -0.062 -0.119 0.019  6   GLU AAA CG  
47   C CD  . GLU A 6   ? 1.058 1.037 0.596 -0.063 -0.100 0.017  6   GLU AAA CD  
48   O OE1 . GLU A 6   ? 1.018 0.992 0.583 -0.060 -0.088 0.016  6   GLU AAA OE1 
49   O OE2 . GLU A 6   ? 1.097 1.069 0.612 -0.068 -0.095 0.012  6   GLU AAA OE2 
50   N N   . SER A 7   ? 1.068 1.139 0.561 -0.071 -0.165 0.014  7   SER AAA N   
51   C CA  . SER A 7   ? 1.132 1.224 0.583 -0.074 -0.174 0.012  7   SER AAA CA  
52   C C   . SER A 7   ? 1.137 1.197 0.567 -0.091 -0.159 -0.011 7   SER AAA C   
53   O O   . SER A 7   ? 1.063 1.091 0.513 -0.096 -0.144 -0.021 7   SER AAA O   
54   C CB  . SER A 7   ? 1.177 1.336 0.631 -0.081 -0.197 -0.001 7   SER AAA CB  
55   O OG  . SER A 7   ? 1.237 1.399 0.718 -0.106 -0.193 -0.038 7   SER AAA OG  
56   N N   . GLY A 8   ? 1.152 1.222 0.542 -0.096 -0.161 -0.017 8   GLY AAA N   
57   C CA  . GLY A 8   ? 1.193 1.243 0.564 -0.113 -0.146 -0.045 8   GLY AAA CA  
58   C C   . GLY A 8   ? 1.191 1.210 0.535 -0.106 -0.130 -0.034 8   GLY AAA C   
59   O O   . GLY A 8   ? 1.288 1.291 0.617 -0.118 -0.114 -0.056 8   GLY AAA O   
60   N N   . GLY A 9   ? 1.140 1.149 0.482 -0.090 -0.128 -0.003 9   GLY AAA N   
61   C CA  . GLY A 9   ? 1.140 1.121 0.467 -0.087 -0.107 0.005  9   GLY AAA CA  
62   C C   . GLY A 9   ? 1.174 1.166 0.453 -0.090 -0.104 0.006  9   GLY AAA C   
63   O O   . GLY A 9   ? 1.162 1.192 0.415 -0.092 -0.121 0.003  9   GLY AAA O   
64   N N   . GLY A 10  ? 1.174 1.142 0.440 -0.091 -0.082 0.007  10  GLY AAA N   
65   C CA  . GLY A 10  ? 1.229 1.203 0.447 -0.092 -0.073 0.013  10  GLY AAA CA  
66   C C   . GLY A 10  ? 1.225 1.172 0.443 -0.098 -0.045 0.005  10  GLY AAA C   
67   O O   . GLY A 10  ? 1.149 1.081 0.408 -0.099 -0.035 -0.001 10  GLY AAA O   
68   N N   . LEU A 11  ? 1.239 1.192 0.412 -0.102 -0.033 0.004  11  LEU AAA N   
69   C CA  A LEU A 11  ? 1.241 1.175 0.410 -0.109 -0.004 -0.008 11  LEU AAA CA  
70   C CA  B LEU A 11  ? 1.257 1.191 0.426 -0.109 -0.004 -0.008 11  LEU AAA CA  
71   C C   . LEU A 11  ? 1.251 1.190 0.419 -0.120 -0.002 -0.045 11  LEU AAA C   
72   O O   . LEU A 11  ? 1.301 1.260 0.436 -0.128 -0.013 -0.062 11  LEU AAA O   
73   C CB  A LEU A 11  ? 1.287 1.221 0.405 -0.106 0.013  0.016  11  LEU AAA CB  
74   C CB  B LEU A 11  ? 1.321 1.255 0.438 -0.106 0.012  0.016  11  LEU AAA CB  
75   C CG  A LEU A 11  ? 1.292 1.211 0.403 -0.115 0.046  0.003  11  LEU AAA CG  
76   C CG  B LEU A 11  ? 1.350 1.282 0.456 -0.088 0.011  0.062  11  LEU AAA CG  
77   C CD1 A LEU A 11  ? 1.259 1.155 0.422 -0.117 0.069  0.007  11  LEU AAA CD1 
78   C CD1 B LEU A 11  ? 1.432 1.371 0.474 -0.079 0.028  0.091  11  LEU AAA CD1 
79   C CD2 A LEU A 11  ? 1.354 1.280 0.400 -0.112 0.062  0.024  11  LEU AAA CD2 
80   C CD2 B LEU A 11  ? 1.329 1.224 0.489 -0.087 0.032  0.073  11  LEU AAA CD2 
81   N N   . VAL A 12  ? 1.229 1.155 0.433 -0.119 0.016  -0.060 12  VAL AAA N   
82   C CA  . VAL A 12  ? 1.264 1.182 0.476 -0.123 0.030  -0.090 12  VAL AAA CA  
83   C C   . VAL A 12  ? 1.282 1.198 0.510 -0.119 0.058  -0.094 12  VAL AAA C   
84   O O   . VAL A 12  ? 1.285 1.209 0.536 -0.115 0.062  -0.079 12  VAL AAA O   
85   C CB  . VAL A 12  ? 1.253 1.165 0.507 -0.116 0.022  -0.096 12  VAL AAA CB  
86   C CG1 . VAL A 12  ? 1.213 1.132 0.515 -0.099 0.028  -0.084 12  VAL AAA CG1 
87   C CG2 . VAL A 12  ? 1.287 1.182 0.543 -0.123 0.039  -0.126 12  VAL AAA CG2 
88   N N   . GLN A 13  ? 1.298 1.205 0.520 -0.122 0.081  -0.118 13  GLN AAA N   
89   C CA  . GLN A 13  ? 1.316 1.228 0.563 -0.115 0.110  -0.123 13  GLN AAA CA  
90   C C   . GLN A 13  ? 1.245 1.169 0.552 -0.093 0.111  -0.118 13  GLN AAA C   
91   O O   . GLN A 13  ? 1.202 1.116 0.523 -0.085 0.099  -0.115 13  GLN AAA O   
92   C CB  . GLN A 13  ? 1.392 1.289 0.616 -0.122 0.139  -0.151 13  GLN AAA CB  
93   C CG  . GLN A 13  ? 1.461 1.360 0.617 -0.143 0.138  -0.161 13  GLN AAA CG  
94   C CD  . GLN A 13  ? 1.567 1.455 0.707 -0.153 0.170  -0.199 13  GLN AAA CD  
95   O OE1 . GLN A 13  ? 1.650 1.534 0.801 -0.149 0.200  -0.205 13  GLN AAA OE1 
96   N NE2 . GLN A 13  ? 1.618 1.502 0.736 -0.169 0.167  -0.229 13  GLN AAA NE2 
97   N N   . PRO A 14  ? 1.217 1.170 0.561 -0.081 0.126  -0.116 14  PRO AAA N   
98   C CA  . PRO A 14  ? 1.201 1.184 0.599 -0.053 0.128  -0.108 14  PRO AAA CA  
99   C C   . PRO A 14  ? 1.219 1.168 0.624 -0.037 0.150  -0.113 14  PRO AAA C   
100  O O   . PRO A 14  ? 1.258 1.183 0.648 -0.044 0.177  -0.132 14  PRO AAA O   
101  C CB  . PRO A 14  ? 1.198 1.232 0.631 -0.048 0.144  -0.113 14  PRO AAA CB  
102  C CG  . PRO A 14  ? 1.213 1.234 0.612 -0.078 0.150  -0.120 14  PRO AAA CG  
103  C CD  . PRO A 14  ? 1.251 1.218 0.589 -0.092 0.146  -0.122 14  PRO AAA CD  
104  N N   . GLY A 15  ? 1.191 1.134 0.618 -0.017 0.143  -0.098 15  GLY AAA N   
105  C CA  . GLY A 15  ? 1.225 1.121 0.664 -0.003 0.172  -0.100 15  GLY AAA CA  
106  C C   . GLY A 15  ? 1.240 1.092 0.654 -0.027 0.162  -0.113 15  GLY AAA C   
107  O O   . GLY A 15  ? 1.291 1.104 0.725 -0.016 0.185  -0.111 15  GLY AAA O   
108  N N   . GLY A 16  ? 1.226 1.086 0.600 -0.057 0.132  -0.123 16  GLY AAA N   
109  C CA  . GLY A 16  ? 1.252 1.091 0.601 -0.082 0.117  -0.138 16  GLY AAA CA  
110  C C   . GLY A 16  ? 1.244 1.082 0.617 -0.071 0.100  -0.118 16  GLY AAA C   
111  O O   . GLY A 16  ? 1.196 1.056 0.598 -0.044 0.096  -0.090 16  GLY AAA O   
112  N N   . SER A 17  ? 1.261 1.086 0.622 -0.094 0.090  -0.135 17  SER AAA N   
113  C CA  A SER A 17  ? 1.233 1.054 0.616 -0.089 0.077  -0.121 17  SER AAA CA  
114  C CA  B SER A 17  ? 1.233 1.053 0.616 -0.090 0.078  -0.122 17  SER AAA CA  
115  C C   . SER A 17  ? 1.214 1.064 0.573 -0.109 0.038  -0.123 17  SER AAA C   
116  O O   . SER A 17  ? 1.178 1.047 0.501 -0.126 0.026  -0.137 17  SER AAA O   
117  C CB  A SER A 17  ? 1.269 1.044 0.678 -0.095 0.113  -0.140 17  SER AAA CB  
118  C CB  B SER A 17  ? 1.272 1.047 0.679 -0.098 0.113  -0.144 17  SER AAA CB  
119  O OG  A SER A 17  ? 1.303 1.077 0.694 -0.133 0.111  -0.183 17  SER AAA OG  
120  O OG  B SER A 17  ? 1.263 1.040 0.675 -0.118 0.097  -0.154 17  SER AAA OG  
121  N N   . LEU A 18  ? 1.203 1.060 0.582 -0.102 0.021  -0.106 18  LEU AAA N   
122  C CA  . LEU A 18  ? 1.197 1.084 0.566 -0.113 -0.013 -0.101 18  LEU AAA CA  
123  C C   . LEU A 18  ? 1.164 1.044 0.565 -0.109 -0.015 -0.093 18  LEU AAA C   
124  O O   . LEU A 18  ? 1.133 0.996 0.557 -0.089 0.003  -0.076 18  LEU AAA O   
125  C CB  . LEU A 18  ? 1.198 1.106 0.555 -0.102 -0.031 -0.077 18  LEU AAA CB  
126  C CG  . LEU A 18  ? 1.234 1.166 0.567 -0.110 -0.056 -0.069 18  LEU AAA CG  
127  C CD1 . LEU A 18  ? 1.253 1.200 0.550 -0.127 -0.060 -0.090 18  LEU AAA CD1 
128  C CD2 . LEU A 18  ? 1.239 1.175 0.564 -0.101 -0.055 -0.049 18  LEU AAA CD2 
129  N N   . ARG A 19  ? 1.150 1.049 0.552 -0.126 -0.034 -0.104 19  ARG AAA N   
130  C CA  . ARG A 19  ? 1.156 1.051 0.591 -0.128 -0.033 -0.102 19  ARG AAA CA  
131  C C   . ARG A 19  ? 1.103 1.035 0.538 -0.125 -0.067 -0.086 19  ARG AAA C   
132  O O   . ARG A 19  ? 1.079 1.046 0.502 -0.139 -0.088 -0.098 19  ARG AAA O   
133  C CB  . ARG A 19  ? 1.242 1.128 0.693 -0.156 -0.016 -0.140 19  ARG AAA CB  
134  C CG  . ARG A 19  ? 1.277 1.160 0.767 -0.162 -0.010 -0.142 19  ARG AAA CG  
135  C CD  . ARG A 19  ? 1.368 1.257 0.878 -0.200 0.006  -0.191 19  ARG AAA CD  
136  N NE  . ARG A 19  ? 1.420 1.290 0.975 -0.209 0.028  -0.196 19  ARG AAA NE  
137  C CZ  . ARG A 19  ? 1.489 1.295 1.069 -0.197 0.074  -0.181 19  ARG AAA CZ  
138  N NH1 . ARG A 19  ? 1.503 1.265 1.070 -0.171 0.100  -0.159 19  ARG AAA NH1 
139  N NH2 . ARG A 19  ? 1.492 1.282 1.112 -0.206 0.097  -0.184 19  ARG AAA NH2 
140  N N   . LEU A 20  ? 1.067 0.998 0.515 -0.106 -0.070 -0.060 20  LEU AAA N   
141  C CA  . LEU A 20  ? 1.012 0.968 0.469 -0.101 -0.093 -0.045 20  LEU AAA CA  
142  C C   . LEU A 20  ? 1.006 0.965 0.495 -0.107 -0.091 -0.050 20  LEU AAA C   
143  O O   . LEU A 20  ? 1.014 0.947 0.518 -0.107 -0.067 -0.053 20  LEU AAA O   
144  C CB  . LEU A 20  ? 0.993 0.949 0.452 -0.084 -0.091 -0.026 20  LEU AAA CB  
145  C CG  . LEU A 20  ? 0.991 0.945 0.429 -0.080 -0.084 -0.024 20  LEU AAA CG  
146  C CD1 . LEU A 20  ? 0.964 0.933 0.414 -0.072 -0.083 -0.016 20  LEU AAA CD1 
147  C CD2 . LEU A 20  ? 1.030 0.986 0.440 -0.089 -0.093 -0.027 20  LEU AAA CD2 
148  N N   . SER A 21  ? 0.996 0.985 0.497 -0.110 -0.111 -0.047 21  SER AAA N   
149  C CA  . SER A 21  ? 0.998 1.001 0.534 -0.118 -0.111 -0.055 21  SER AAA CA  
150  C C   . SER A 21  ? 0.957 0.975 0.510 -0.103 -0.123 -0.035 21  SER AAA C   
151  O O   . SER A 21  ? 0.914 0.947 0.456 -0.093 -0.138 -0.021 21  SER AAA O   
152  C CB  . SER A 21  ? 1.012 1.051 0.555 -0.139 -0.122 -0.083 21  SER AAA CB  
153  O OG  . SER A 21  ? 1.039 1.128 0.574 -0.131 -0.152 -0.071 21  SER AAA OG  
154  N N   . CYS A 22  ? 0.956 0.967 0.536 -0.101 -0.111 -0.032 22  CYS AAA N   
155  C CA  . CYS A 22  ? 0.958 0.983 0.561 -0.091 -0.115 -0.020 22  CYS AAA CA  
156  C C   . CYS A 22  ? 0.951 0.997 0.593 -0.102 -0.113 -0.031 22  CYS AAA C   
157  O O   . CYS A 22  ? 0.934 0.959 0.587 -0.110 -0.090 -0.038 22  CYS AAA O   
158  C CB  . CYS A 22  ? 1.004 1.013 0.601 -0.080 -0.099 -0.010 22  CYS AAA CB  
159  S SG  . CYS A 22  ? 1.031 1.055 0.654 -0.072 -0.097 -0.005 22  CYS AAA SG  
160  N N   . ALA A 23  ? 0.954 1.041 0.618 -0.101 -0.132 -0.031 23  ALA AAA N   
161  C CA  . ALA A 23  ? 0.967 1.091 0.678 -0.112 -0.133 -0.046 23  ALA AAA CA  
162  C C   . ALA A 23  ? 0.955 1.083 0.695 -0.097 -0.128 -0.031 23  ALA AAA C   
163  O O   . ALA A 23  ? 0.993 1.135 0.736 -0.078 -0.140 -0.013 23  ALA AAA O   
164  C CB  . ALA A 23  ? 0.968 1.155 0.687 -0.118 -0.160 -0.058 23  ALA AAA CB  
165  N N   . ALA A 24  ? 0.966 1.077 0.726 -0.104 -0.104 -0.036 24  ALA AAA N   
166  C CA  . ALA A 24  ? 0.985 1.097 0.771 -0.094 -0.092 -0.028 24  ALA AAA CA  
167  C C   . ALA A 24  ? 1.013 1.171 0.854 -0.101 -0.095 -0.039 24  ALA AAA C   
168  O O   . ALA A 24  ? 1.049 1.211 0.910 -0.123 -0.082 -0.058 24  ALA AAA O   
169  C CB  . ALA A 24  ? 0.979 1.056 0.746 -0.094 -0.064 -0.025 24  ALA AAA CB  
170  N N   . SER A 25  ? 1.049 1.239 0.920 -0.084 -0.106 -0.029 25  SER AAA N   
171  C CA  . SER A 25  ? 1.047 1.294 0.981 -0.085 -0.109 -0.037 25  SER AAA CA  
172  C C   . SER A 25  ? 1.031 1.257 0.989 -0.083 -0.079 -0.037 25  SER AAA C   
173  O O   . SER A 25  ? 1.070 1.271 1.023 -0.101 -0.056 -0.048 25  SER AAA O   
174  C CB  . SER A 25  ? 1.064 1.366 1.020 -0.061 -0.136 -0.020 25  SER AAA CB  
175  O OG  . SER A 25  ? 1.124 1.394 1.074 -0.033 -0.127 0.006  25  SER AAA OG  
176  N N   . GLY A 26  ? 1.018 1.248 0.998 -0.061 -0.075 -0.024 26  GLY AAA N   
177  C CA  . GLY A 26  ? 1.004 1.246 1.032 -0.058 -0.052 -0.029 26  GLY AAA CA  
178  C C   . GLY A 26  ? 1.018 1.223 1.025 -0.072 -0.019 -0.038 26  GLY AAA C   
179  O O   . GLY A 26  ? 1.027 1.226 1.051 -0.064 0.003  -0.040 26  GLY AAA O   
180  N N   . PHE A 27  ? 1.029 1.211 1.004 -0.090 -0.011 -0.043 27  PHE AAA N   
181  C CA  . PHE A 27  ? 1.058 1.213 1.013 -0.098 0.024  -0.043 27  PHE AAA CA  
182  C C   . PHE A 27  ? 1.076 1.248 1.081 -0.116 0.046  -0.055 27  PHE AAA C   
183  O O   . PHE A 27  ? 1.054 1.237 1.081 -0.134 0.040  -0.067 27  PHE AAA O   
184  C CB  . PHE A 27  ? 1.089 1.205 0.981 -0.098 0.028  -0.033 27  PHE AAA CB  
185  C CG  . PHE A 27  ? 1.088 1.192 0.931 -0.084 0.018  -0.026 27  PHE AAA CG  
186  C CD1 . PHE A 27  ? 1.069 1.180 0.897 -0.076 0.035  -0.028 27  PHE AAA CD1 
187  C CD2 . PHE A 27  ? 1.085 1.179 0.900 -0.081 -0.006 -0.022 27  PHE AAA CD2 
188  C CE1 . PHE A 27  ? 1.088 1.199 0.879 -0.069 0.028  -0.032 27  PHE AAA CE1 
189  C CE2 . PHE A 27  ? 1.056 1.144 0.833 -0.071 -0.011 -0.021 27  PHE AAA CE2 
190  C CZ  . PHE A 27  ? 1.075 1.174 0.844 -0.067 0.006  -0.028 27  PHE AAA CZ  
191  N N   . THR A 28  ? 0.909 1.371 0.947 -0.062 -0.104 -0.031 28  THR AAA N   
192  C CA  . THR A 28  ? 0.908 1.415 0.989 -0.088 -0.089 -0.042 28  THR AAA CA  
193  C C   . THR A 28  ? 0.912 1.381 0.951 -0.130 -0.088 -0.059 28  THR AAA C   
194  O O   . THR A 28  ? 0.952 1.465 1.015 -0.161 -0.104 -0.066 28  THR AAA O   
195  C CB  . THR A 28  ? 0.917 1.412 1.017 -0.071 -0.051 -0.044 28  THR AAA CB  
196  O OG1 . THR A 28  ? 0.938 1.445 1.068 -0.029 -0.048 -0.032 28  THR AAA OG1 
197  C CG2 . THR A 28  ? 0.920 1.470 1.071 -0.093 -0.031 -0.049 28  THR AAA CG2 
198  N N   . ASN A 29  ? 0.848 1.239 0.830 -0.130 -0.072 -0.065 29  ASN AAA N   
199  C CA  . ASN A 29  ? 0.810 1.155 0.759 -0.161 -0.058 -0.077 29  ASN AAA CA  
200  C C   . ASN A 29  ? 0.784 1.060 0.669 -0.161 -0.067 -0.082 29  ASN AAA C   
201  O O   . ASN A 29  ? 0.781 1.049 0.649 -0.138 -0.080 -0.076 29  ASN AAA O   
202  C CB  . ASN A 29  ? 0.804 1.133 0.755 -0.158 -0.024 -0.074 29  ASN AAA CB  
203  C CG  . ASN A 29  ? 0.790 1.090 0.720 -0.122 -0.012 -0.069 29  ASN AAA CG  
204  O OD1 . ASN A 29  ? 0.779 1.027 0.662 -0.112 -0.020 -0.070 29  ASN AAA OD1 
205  N ND2 . ASN A 29  ? 0.776 1.112 0.743 -0.103 0.006  -0.067 29  ASN AAA ND2 
206  N N   . ASP A 30  ? 0.812 1.040 0.668 -0.183 -0.058 -0.090 30  ASP AAA N   
207  C CA  . ASP A 30  ? 0.844 1.006 0.646 -0.182 -0.060 -0.096 30  ASP AAA CA  
208  C C   . ASP A 30  ? 0.796 0.914 0.567 -0.159 -0.045 -0.087 30  ASP AAA C   
209  O O   . ASP A 30  ? 0.746 0.815 0.480 -0.157 -0.046 -0.089 30  ASP AAA O   
210  C CB  . ASP A 30  ? 0.952 1.079 0.745 -0.214 -0.054 -0.107 30  ASP AAA CB  
211  C CG  . ASP A 30  ? 1.120 1.272 0.926 -0.241 -0.073 -0.125 30  ASP AAA CG  
212  O OD1 . ASP A 30  ? 1.226 1.429 1.043 -0.235 -0.094 -0.127 30  ASP AAA OD1 
213  O OD2 . ASP A 30  ? 1.284 1.404 1.088 -0.270 -0.066 -0.138 30  ASP AAA OD2 
214  N N   . PHE A 31  ? 0.764 0.899 0.550 -0.142 -0.031 -0.079 31  PHE AAA N   
215  C CA  . PHE A 31  ? 0.774 0.871 0.528 -0.125 -0.017 -0.075 31  PHE AAA CA  
216  C C   . PHE A 31  ? 0.718 0.805 0.461 -0.100 -0.027 -0.075 31  PHE AAA C   
217  O O   . PHE A 31  ? 0.695 0.794 0.452 -0.081 -0.020 -0.074 31  PHE AAA O   
218  C CB  . PHE A 31  ? 0.800 0.914 0.565 -0.124 0.007  -0.072 31  PHE AAA CB  
219  C CG  . PHE A 31  ? 0.839 0.913 0.559 -0.117 0.019  -0.070 31  PHE AAA CG  
220  C CD1 . PHE A 31  ? 0.870 0.912 0.562 -0.132 0.024  -0.061 31  PHE AAA CD1 
221  C CD2 . PHE A 31  ? 0.846 0.913 0.553 -0.095 0.023  -0.076 31  PHE AAA CD2 
222  C CE1 . PHE A 31  ? 0.898 0.911 0.548 -0.125 0.030  -0.056 31  PHE AAA CE1 
223  C CE2 . PHE A 31  ? 0.875 0.912 0.540 -0.093 0.030  -0.076 31  PHE AAA CE2 
224  C CZ  . PHE A 31  ? 0.887 0.902 0.523 -0.107 0.032  -0.065 31  PHE AAA CZ  
225  N N   . TYR A 32  ? 0.720 0.781 0.439 -0.102 -0.042 -0.076 32  TYR AAA N   
226  C CA  . TYR A 32  ? 0.690 0.732 0.391 -0.084 -0.050 -0.074 32  TYR AAA CA  
227  C C   . TYR A 32  ? 0.700 0.704 0.368 -0.091 -0.054 -0.078 32  TYR AAA C   
228  O O   . TYR A 32  ? 0.755 0.747 0.417 -0.108 -0.052 -0.082 32  TYR AAA O   
229  C CB  . TYR A 32  ? 0.706 0.782 0.430 -0.074 -0.064 -0.067 32  TYR AAA CB  
230  C CG  . TYR A 32  ? 0.711 0.812 0.436 -0.090 -0.081 -0.070 32  TYR AAA CG  
231  C CD1 . TYR A 32  ? 0.739 0.822 0.433 -0.093 -0.092 -0.072 32  TYR AAA CD1 
232  C CD2 . TYR A 32  ? 0.729 0.876 0.487 -0.104 -0.087 -0.072 32  TYR AAA CD2 
233  C CE1 . TYR A 32  ? 0.772 0.878 0.459 -0.110 -0.108 -0.079 32  TYR AAA CE1 
234  C CE2 . TYR A 32  ? 0.729 0.902 0.486 -0.122 -0.105 -0.079 32  TYR AAA CE2 
235  C CZ  . TYR A 32  ? 0.765 0.916 0.482 -0.125 -0.116 -0.084 32  TYR AAA CZ  
236  O OH  . TYR A 32  ? 0.828 1.005 0.536 -0.145 -0.134 -0.095 32  TYR AAA OH  
237  N N   . SER A 33  ? 0.696 0.681 0.348 -0.079 -0.057 -0.075 33  SER AAA N   
238  C CA  . SER A 33  ? 0.713 0.671 0.342 -0.082 -0.061 -0.078 33  SER AAA CA  
239  C C   . SER A 33  ? 0.729 0.693 0.353 -0.074 -0.069 -0.073 33  SER AAA C   
240  O O   . SER A 33  ? 0.714 0.689 0.351 -0.063 -0.071 -0.065 33  SER AAA O   
241  C CB  . SER A 33  ? 0.733 0.665 0.349 -0.079 -0.054 -0.078 33  SER AAA CB  
242  O OG  . SER A 33  ? 0.719 0.649 0.335 -0.086 -0.046 -0.076 33  SER AAA OG  
243  N N   . ILE A 34  ? 0.752 0.706 0.358 -0.080 -0.071 -0.078 34  ILE AAA N   
244  C CA  . ILE A 34  ? 0.783 0.742 0.375 -0.075 -0.076 -0.072 34  ILE AAA CA  
245  C C   . ILE A 34  ? 0.775 0.709 0.358 -0.072 -0.067 -0.072 34  ILE AAA C   
246  O O   . ILE A 34  ? 0.805 0.723 0.389 -0.074 -0.061 -0.080 34  ILE AAA O   
247  C CB  . ILE A 34  ? 0.804 0.780 0.379 -0.087 -0.084 -0.080 34  ILE AAA CB  
248  C CG1 . ILE A 34  ? 0.809 0.821 0.400 -0.093 -0.096 -0.079 34  ILE AAA CG1 
249  C CG2 . ILE A 34  ? 0.832 0.814 0.383 -0.085 -0.085 -0.073 34  ILE AAA CG2 
250  C CD1 . ILE A 34  ? 0.811 0.848 0.421 -0.078 -0.105 -0.058 34  ILE AAA CD1 
251  N N   . ALA A 35  ? 0.762 0.697 0.342 -0.066 -0.066 -0.061 35  ALA AAA N   
252  C CA  . ALA A 35  ? 0.754 0.676 0.331 -0.065 -0.058 -0.060 35  ALA AAA CA  
253  C C   . ALA A 35  ? 0.773 0.705 0.331 -0.066 -0.056 -0.052 35  ALA AAA C   
254  O O   . ALA A 35  ? 0.780 0.725 0.334 -0.064 -0.064 -0.038 35  ALA AAA O   
255  C CB  . ALA A 35  ? 0.757 0.667 0.351 -0.061 -0.056 -0.055 35  ALA AAA CB  
256  N N   . TRP A 36  ? 0.788 0.718 0.338 -0.069 -0.045 -0.057 36  TRP AAA N   
257  C CA  . TRP A 36  ? 0.806 0.746 0.337 -0.071 -0.037 -0.046 36  TRP AAA CA  
258  C C   . TRP A 36  ? 0.775 0.707 0.327 -0.071 -0.027 -0.036 36  TRP AAA C   
259  O O   . TRP A 36  ? 0.746 0.675 0.318 -0.070 -0.021 -0.047 36  TRP AAA O   
260  C CB  . TRP A 36  ? 0.837 0.786 0.343 -0.076 -0.028 -0.063 36  TRP AAA CB  
261  C CG  . TRP A 36  ? 0.876 0.836 0.357 -0.083 -0.040 -0.074 36  TRP AAA CG  
262  C CD1 . TRP A 36  ? 0.876 0.829 0.363 -0.087 -0.045 -0.094 36  TRP AAA CD1 
263  C CD2 . TRP A 36  ? 0.908 0.892 0.356 -0.088 -0.049 -0.063 36  TRP AAA CD2 
264  N NE1 . TRP A 36  ? 0.927 0.899 0.390 -0.097 -0.057 -0.101 36  TRP AAA NE1 
265  C CE2 . TRP A 36  ? 0.929 0.924 0.366 -0.097 -0.062 -0.083 36  TRP AAA CE2 
266  C CE3 . TRP A 36  ? 0.931 0.931 0.359 -0.086 -0.049 -0.037 36  TRP AAA CE3 
267  C CZ2 . TRP A 36  ? 0.957 0.985 0.364 -0.105 -0.078 -0.079 36  TRP AAA CZ2 
268  C CZ3 . TRP A 36  ? 0.968 0.997 0.362 -0.091 -0.064 -0.029 36  TRP AAA CZ3 
269  C CH2 . TRP A 36  ? 0.980 1.026 0.363 -0.100 -0.080 -0.051 36  TRP AAA CH2 
270  N N   . PHE A 37  ? 0.776 0.705 0.329 -0.072 -0.026 -0.015 37  PHE AAA N   
271  C CA  . PHE A 37  ? 0.778 0.699 0.352 -0.077 -0.015 -0.003 37  PHE AAA CA  
272  C C   . PHE A 37  ? 0.822 0.755 0.375 -0.082 -0.001 0.015  37  PHE AAA C   
273  O O   . PHE A 37  ? 0.832 0.771 0.356 -0.080 -0.006 0.032  37  PHE AAA O   
274  C CB  . PHE A 37  ? 0.788 0.686 0.381 -0.074 -0.022 0.009  37  PHE AAA CB  
275  C CG  . PHE A 37  ? 0.740 0.628 0.354 -0.072 -0.030 -0.010 37  PHE AAA CG  
276  C CD1 . PHE A 37  ? 0.725 0.614 0.333 -0.064 -0.041 -0.018 37  PHE AAA CD1 
277  C CD2 . PHE A 37  ? 0.735 0.615 0.373 -0.080 -0.027 -0.019 37  PHE AAA CD2 
278  C CE1 . PHE A 37  ? 0.709 0.591 0.330 -0.063 -0.045 -0.034 37  PHE AAA CE1 
279  C CE2 . PHE A 37  ? 0.730 0.603 0.377 -0.080 -0.035 -0.037 37  PHE AAA CE2 
280  C CZ  . PHE A 37  ? 0.709 0.582 0.346 -0.070 -0.042 -0.043 37  PHE AAA CZ  
281  N N   . ARG A 38  ? 0.825 0.767 0.391 -0.090 0.016  0.012  38  ARG AAA N   
282  C CA  . ARG A 38  ? 0.865 0.820 0.413 -0.098 0.035  0.031  38  ARG AAA CA  
283  C C   . ARG A 38  ? 0.863 0.805 0.444 -0.109 0.045  0.051  38  ARG AAA C   
284  O O   . ARG A 38  ? 0.812 0.748 0.434 -0.113 0.041  0.038  38  ARG AAA O   
285  C CB  . ARG A 38  ? 0.880 0.862 0.418 -0.098 0.052  0.012  38  ARG AAA CB  
286  C CG  . ARG A 38  ? 0.869 0.861 0.455 -0.099 0.063  -0.002 38  ARG AAA CG  
287  C CD  . ARG A 38  ? 0.917 0.933 0.492 -0.095 0.084  -0.020 38  ARG AAA CD  
288  N NE  . ARG A 38  ? 0.921 0.956 0.546 -0.089 0.093  -0.034 38  ARG AAA NE  
289  C CZ  . ARG A 38  ? 0.973 1.023 0.601 -0.079 0.110  -0.054 38  ARG AAA CZ  
290  N NH1 . ARG A 38  ? 1.013 1.062 0.593 -0.077 0.123  -0.067 38  ARG AAA NH1 
291  N NH2 . ARG A 38  ? 0.964 1.034 0.645 -0.071 0.115  -0.062 38  ARG AAA NH2 
292  N N   . GLN A 39  ? 0.898 0.835 0.460 -0.115 0.055  0.082  39  GLN AAA N   
293  C CA  . GLN A 39  ? 0.943 0.860 0.534 -0.129 0.068  0.106  39  GLN AAA CA  
294  C C   . GLN A 39  ? 0.982 0.926 0.557 -0.141 0.095  0.123  39  GLN AAA C   
295  O O   . GLN A 39  ? 0.992 0.938 0.521 -0.138 0.099  0.150  39  GLN AAA O   
296  C CB  . GLN A 39  ? 0.999 0.879 0.586 -0.123 0.057  0.133  39  GLN AAA CB  
297  C CG  . GLN A 39  ? 1.065 0.909 0.693 -0.137 0.068  0.149  39  GLN AAA CG  
298  C CD  . GLN A 39  ? 1.138 0.939 0.764 -0.126 0.060  0.179  39  GLN AAA CD  
299  O OE1 . GLN A 39  ? 1.152 0.923 0.801 -0.117 0.048  0.166  39  GLN AAA OE1 
300  N NE2 . GLN A 39  ? 1.227 1.028 0.822 -0.124 0.069  0.222  39  GLN AAA NE2 
301  N N   . ALA A 40  ? 0.974 0.942 0.582 -0.151 0.112  0.107  40  ALA AAA N   
302  C CA  . ALA A 40  ? 1.025 1.025 0.631 -0.164 0.144  0.120  40  ALA AAA CA  
303  C C   . ALA A 40  ? 1.078 1.055 0.700 -0.184 0.158  0.157  40  ALA AAA C   
304  O O   . ALA A 40  ? 1.061 0.998 0.710 -0.187 0.144  0.164  40  ALA AAA O   
305  C CB  . ALA A 40  ? 0.989 1.026 0.643 -0.167 0.155  0.091  40  ALA AAA CB  
306  N N   . PRO A 41  ? 1.166 1.164 0.771 -0.197 0.189  0.184  41  PRO AAA N   
307  C CA  . PRO A 41  ? 1.244 1.217 0.869 -0.219 0.206  0.224  41  PRO AAA CA  
308  C C   . PRO A 41  ? 1.227 1.184 0.930 -0.239 0.204  0.210  41  PRO AAA C   
309  O O   . PRO A 41  ? 1.213 1.210 0.960 -0.248 0.213  0.185  41  PRO AAA O   
310  C CB  . PRO A 41  ? 1.272 1.286 0.873 -0.232 0.245  0.244  41  PRO AAA CB  
311  C CG  . PRO A 41  ? 1.243 1.307 0.828 -0.218 0.250  0.203  41  PRO AAA CG  
312  C CD  . PRO A 41  ? 1.193 1.237 0.758 -0.194 0.212  0.176  41  PRO AAA CD  
313  N N   . GLY A 42  ? 1.236 1.135 0.955 -0.243 0.191  0.225  42  GLY AAA N   
314  C CA  . GLY A 42  ? 1.253 1.127 1.039 -0.267 0.189  0.212  42  GLY AAA CA  
315  C C   . GLY A 42  ? 1.181 1.066 0.995 -0.259 0.161  0.163  42  GLY AAA C   
316  O O   . GLY A 42  ? 1.182 1.058 1.049 -0.281 0.157  0.146  42  GLY AAA O   
317  N N   . LYS A 43  ? 1.167 1.072 0.948 -0.231 0.142  0.142  43  LYS AAA N   
318  C CA  . LYS A 43  ? 1.128 1.040 0.928 -0.222 0.116  0.102  43  LYS AAA CA  
319  C C   . LYS A 43  ? 1.123 0.987 0.897 -0.204 0.094  0.098  43  LYS AAA C   
320  O O   . LYS A 43  ? 1.154 0.992 0.892 -0.192 0.096  0.126  43  LYS AAA O   
321  C CB  . LYS A 43  ? 1.122 1.086 0.911 -0.205 0.113  0.080  43  LYS AAA CB  
322  C CG  . LYS A 43  ? 1.163 1.182 1.002 -0.218 0.125  0.067  43  LYS AAA CG  
323  C CD  . LYS A 43  ? 1.261 1.311 1.099 -0.227 0.160  0.089  43  LYS AAA CD  
324  C CE  . LYS A 43  ? 1.291 1.406 1.184 -0.234 0.175  0.075  43  LYS AAA CE  
325  N NZ  . LYS A 43  ? 1.315 1.441 1.272 -0.268 0.182  0.080  43  LYS AAA NZ  
326  N N   . GLU A 44  ? 1.100 0.958 0.892 -0.201 0.073  0.067  44  GLU AAA N   
327  C CA  . GLU A 44  ? 1.077 0.901 0.847 -0.181 0.053  0.056  44  GLU AAA CA  
328  C C   . GLU A 44  ? 0.992 0.844 0.723 -0.157 0.043  0.051  44  GLU AAA C   
329  O O   . GLU A 44  ? 0.920 0.814 0.651 -0.157 0.049  0.043  44  GLU AAA O   
330  C CB  . GLU A 44  ? 1.125 0.942 0.921 -0.190 0.037  0.022  44  GLU AAA CB  
331  C CG  . GLU A 44  ? 1.242 1.033 1.079 -0.220 0.044  0.016  44  GLU AAA CG  
332  C CD  . GLU A 44  ? 1.353 1.076 1.192 -0.221 0.053  0.030  44  GLU AAA CD  
333  O OE1 . GLU A 44  ? 1.446 1.148 1.257 -0.198 0.056  0.056  44  GLU AAA OE1 
334  O OE2 . GLU A 44  ? 1.422 1.113 1.294 -0.246 0.057  0.016  44  GLU AAA OE2 
335  N N   . ARG A 45  ? 0.976 0.807 0.681 -0.138 0.031  0.054  45  ARG AAA N   
336  C CA  . ARG A 45  ? 0.997 0.851 0.672 -0.119 0.018  0.042  45  ARG AAA CA  
337  C C   . ARG A 45  ? 0.960 0.838 0.650 -0.121 0.010  0.012  45  ARG AAA C   
338  O O   . ARG A 45  ? 0.951 0.819 0.666 -0.129 0.003  -0.004 45  ARG AAA O   
339  C CB  . ARG A 45  ? 1.019 0.848 0.683 -0.103 0.005  0.044  45  ARG AAA CB  
340  C CG  . ARG A 45  ? 1.114 0.928 0.761 -0.093 0.007  0.078  45  ARG AAA CG  
341  C CD  . ARG A 45  ? 1.174 0.963 0.829 -0.076 -0.003 0.079  45  ARG AAA CD  
342  N NE  . ARG A 45  ? 1.300 1.084 0.942 -0.062 -0.006 0.116  45  ARG AAA NE  
343  C CZ  . ARG A 45  ? 1.393 1.159 1.048 -0.043 -0.013 0.127  45  ARG AAA CZ  
344  N NH1 . ARG A 45  ? 1.381 1.130 1.062 -0.037 -0.016 0.100  45  ARG AAA NH1 
345  N NH2 . ARG A 45  ? 1.376 1.145 1.021 -0.029 -0.018 0.166  45  ARG AAA NH2 
346  N N   . GLU A 46  ? 0.910 0.818 0.585 -0.113 0.011  0.004  46  GLU AAA N   
347  C CA  . GLU A 46  ? 0.879 0.810 0.571 -0.110 0.004  -0.018 46  GLU AAA CA  
348  C C   . GLU A 46  ? 0.820 0.754 0.482 -0.094 -0.003 -0.026 46  GLU AAA C   
349  O O   . GLU A 46  ? 0.755 0.695 0.391 -0.090 0.006  -0.020 46  GLU AAA O   
350  C CB  . GLU A 46  ? 0.948 0.913 0.667 -0.117 0.017  -0.019 46  GLU AAA CB  
351  C CG  . GLU A 46  ? 1.076 1.046 0.834 -0.137 0.022  -0.014 46  GLU AAA CG  
352  C CD  . GLU A 46  ? 1.238 1.244 1.021 -0.146 0.044  -0.006 46  GLU AAA CD  
353  O OE1 . GLU A 46  ? 1.355 1.391 1.139 -0.133 0.051  -0.014 46  GLU AAA OE1 
354  O OE2 . GLU A 46  ? 1.274 1.277 1.078 -0.166 0.057  0.007  46  GLU AAA OE2 
355  N N   . GLY A 47  ? 0.735 0.665 0.399 -0.088 -0.017 -0.040 47  GLY AAA N   
356  C CA  . GLY A 47  ? 0.734 0.664 0.377 -0.076 -0.022 -0.048 47  GLY AAA CA  
357  C C   . GLY A 47  ? 0.759 0.707 0.408 -0.071 -0.011 -0.055 47  GLY AAA C   
358  O O   . GLY A 47  ? 0.764 0.730 0.442 -0.072 -0.006 -0.056 47  GLY AAA O   
359  N N   . VAL A 48  ? 0.776 0.720 0.398 -0.066 -0.006 -0.061 48  VAL AAA N   
360  C CA  . VAL A 48  ? 0.800 0.753 0.426 -0.059 0.009  -0.074 48  VAL AAA CA  
361  C C   . VAL A 48  ? 0.795 0.730 0.410 -0.052 0.003  -0.087 48  VAL AAA C   
362  O O   . VAL A 48  ? 0.847 0.780 0.479 -0.042 0.012  -0.096 48  VAL AAA O   
363  C CB  . VAL A 48  ? 0.829 0.794 0.431 -0.063 0.027  -0.074 48  VAL AAA CB  
364  C CG1 . VAL A 48  ? 0.861 0.845 0.484 -0.071 0.039  -0.059 48  VAL AAA CG1 
365  C CG2 . VAL A 48  ? 0.838 0.796 0.397 -0.070 0.020  -0.070 48  VAL AAA CG2 
366  N N   . SER A 49  ? 0.792 0.714 0.385 -0.057 -0.009 -0.088 49  SER AAA N   
367  C CA  . SER A 49  ? 0.831 0.734 0.415 -0.057 -0.014 -0.099 49  SER AAA CA  
368  C C   . SER A 49  ? 0.789 0.688 0.369 -0.062 -0.029 -0.092 49  SER AAA C   
369  O O   . SER A 49  ? 0.816 0.726 0.386 -0.066 -0.035 -0.084 49  SER AAA O   
370  C CB  . SER A 49  ? 0.878 0.777 0.438 -0.062 -0.005 -0.117 49  SER AAA CB  
371  O OG  . SER A 49  ? 0.979 0.883 0.542 -0.055 0.015  -0.126 49  SER AAA OG  
372  N N   . TRP A 50  ? 0.770 0.654 0.358 -0.061 -0.034 -0.095 50  TRP AAA N   
373  C CA  . TRP A 50  ? 0.755 0.639 0.341 -0.066 -0.043 -0.091 50  TRP AAA CA  
374  C C   . TRP A 50  ? 0.784 0.653 0.366 -0.073 -0.042 -0.100 50  TRP AAA C   
375  O O   . TRP A 50  ? 0.861 0.710 0.448 -0.070 -0.033 -0.106 50  TRP AAA O   
376  C CB  . TRP A 50  ? 0.795 0.678 0.392 -0.061 -0.048 -0.081 50  TRP AAA CB  
377  C CG  . TRP A 50  ? 0.795 0.690 0.400 -0.059 -0.051 -0.075 50  TRP AAA CG  
378  C CD1 . TRP A 50  ? 0.824 0.722 0.428 -0.061 -0.054 -0.073 50  TRP AAA CD1 
379  C CD2 . TRP A 50  ? 0.833 0.735 0.453 -0.055 -0.048 -0.073 50  TRP AAA CD2 
380  N NE1 . TRP A 50  ? 0.800 0.702 0.415 -0.062 -0.054 -0.070 50  TRP AAA NE1 
381  C CE2 . TRP A 50  ? 0.803 0.713 0.429 -0.060 -0.051 -0.070 50  TRP AAA CE2 
382  C CE3 . TRP A 50  ? 0.861 0.766 0.494 -0.048 -0.043 -0.074 50  TRP AAA CE3 
383  C CZ2 . TRP A 50  ? 0.810 0.733 0.455 -0.062 -0.050 -0.068 50  TRP AAA CZ2 
384  C CZ3 . TRP A 50  ? 0.877 0.801 0.532 -0.046 -0.041 -0.071 50  TRP AAA CZ3 
385  C CH2 . TRP A 50  ? 0.866 0.801 0.528 -0.055 -0.046 -0.068 50  TRP AAA CH2 
386  N N   . LEU A 51  ? 0.781 0.661 0.360 -0.083 -0.048 -0.101 51  LEU AAA N   
387  C CA  . LEU A 51  ? 0.814 0.684 0.396 -0.095 -0.047 -0.109 51  LEU AAA CA  
388  C C   . LEU A 51  ? 0.772 0.657 0.365 -0.098 -0.051 -0.099 51  LEU AAA C   
389  O O   . LEU A 51  ? 0.790 0.701 0.386 -0.098 -0.058 -0.096 51  LEU AAA O   
390  C CB  . LEU A 51  ? 0.828 0.710 0.398 -0.109 -0.051 -0.126 51  LEU AAA CB  
391  C CG  . LEU A 51  ? 0.879 0.748 0.455 -0.128 -0.049 -0.139 51  LEU AAA CG  
392  C CD1 . LEU A 51  ? 0.908 0.731 0.487 -0.126 -0.035 -0.146 51  LEU AAA CD1 
393  C CD2 . LEU A 51  ? 0.941 0.833 0.504 -0.145 -0.058 -0.158 51  LEU AAA CD2 
394  N N   . SER A 52  ? 0.794 0.662 0.392 -0.100 -0.045 -0.092 52  SER AAA N   
395  C CA  . SER A 52  ? 0.811 0.692 0.418 -0.107 -0.043 -0.084 52  SER AAA CA  
396  C C   . SER A 52  ? 0.808 0.693 0.426 -0.127 -0.042 -0.094 52  SER AAA C   
397  O O   . SER A 52  ? 0.868 0.722 0.486 -0.137 -0.035 -0.098 52  SER AAA O   
398  C CB  . SER A 52  ? 0.818 0.681 0.419 -0.102 -0.037 -0.070 52  SER AAA CB  
399  O OG  . SER A 52  ? 0.885 0.764 0.490 -0.110 -0.030 -0.064 52  SER AAA OG  
400  N N   . VAL A 53  ? 0.777 0.700 0.409 -0.134 -0.049 -0.098 53  VAL AAA N   
401  C CA  . VAL A 53  ? 0.828 0.767 0.472 -0.155 -0.054 -0.111 53  VAL AAA CA  
402  C C   . VAL A 53  ? 0.858 0.785 0.519 -0.175 -0.042 -0.109 53  VAL AAA C   
403  O O   . VAL A 53  ? 0.835 0.736 0.496 -0.193 -0.039 -0.122 53  VAL AAA O   
404  C CB  . VAL A 53  ? 0.846 0.839 0.506 -0.154 -0.068 -0.110 53  VAL AAA CB  
405  C CG1 . VAL A 53  ? 0.871 0.896 0.551 -0.179 -0.076 -0.123 53  VAL AAA CG1 
406  C CG2 . VAL A 53  ? 0.837 0.834 0.476 -0.139 -0.078 -0.110 53  VAL AAA CG2 
407  N N   . SER A 54  ? 0.865 0.805 0.537 -0.171 -0.032 -0.094 54  SER AAA N   
408  C CA  . SER A 54  ? 0.897 0.832 0.585 -0.192 -0.018 -0.087 54  SER AAA CA  
409  C C   . SER A 54  ? 0.925 0.800 0.598 -0.196 -0.008 -0.081 54  SER AAA C   
410  O O   . SER A 54  ? 0.947 0.802 0.634 -0.220 0.000  -0.084 54  SER AAA O   
411  C CB  . SER A 54  ? 0.897 0.859 0.592 -0.184 -0.006 -0.071 54  SER AAA CB  
412  O OG  . SER A 54  ? 0.965 0.914 0.633 -0.160 -0.005 -0.063 54  SER AAA OG  
413  N N   . ASP A 55  ? 0.956 0.803 0.605 -0.174 -0.009 -0.073 55  ASP AAA N   
414  C CA  . ASP A 55  ? 0.987 0.780 0.626 -0.170 -0.001 -0.062 55  ASP AAA CA  
415  C C   . ASP A 55  ? 0.958 0.720 0.597 -0.170 -0.004 -0.083 55  ASP AAA C   
416  O O   . ASP A 55  ? 0.946 0.659 0.587 -0.169 0.005  -0.078 55  ASP AAA O   
417  C CB  . ASP A 55  ? 1.030 0.820 0.648 -0.145 -0.004 -0.043 55  ASP AAA CB  
418  C CG  . ASP A 55  ? 1.112 0.912 0.720 -0.147 0.005  -0.019 55  ASP AAA CG  
419  O OD1 . ASP A 55  ? 1.210 1.028 0.831 -0.165 0.015  -0.019 55  ASP AAA OD1 
420  O OD2 . ASP A 55  ? 1.106 0.901 0.693 -0.131 0.002  -0.002 55  ASP AAA OD2 
421  N N   . ASN A 56  ? 0.922 0.712 0.557 -0.168 -0.016 -0.104 56  ASN AAA N   
422  C CA  . ASN A 56  ? 0.907 0.676 0.533 -0.167 -0.017 -0.127 56  ASN AAA CA  
423  C C   . ASN A 56  ? 0.904 0.641 0.524 -0.142 -0.011 -0.117 56  ASN AAA C   
424  O O   . ASN A 56  ? 0.921 0.615 0.544 -0.141 -0.001 -0.128 56  ASN AAA O   
425  C CB  . ASN A 56  ? 0.955 0.694 0.591 -0.193 -0.010 -0.148 56  ASN AAA CB  
426  C CG  . ASN A 56  ? 0.963 0.706 0.584 -0.200 -0.016 -0.182 56  ASN AAA CG  
427  O OD1 . ASN A 56  ? 0.938 0.724 0.544 -0.192 -0.028 -0.184 56  ASN AAA OD1 
428  N ND2 . ASN A 56  ? 1.000 0.698 0.622 -0.214 -0.005 -0.206 56  ASN AAA ND2 
429  N N   . THR A 57  ? 0.866 0.621 0.480 -0.122 -0.016 -0.097 57  THR AAA N   
430  C CA  . THR A 57  ? 0.882 0.621 0.496 -0.099 -0.014 -0.086 57  THR AAA CA  
431  C C   . THR A 57  ? 0.851 0.616 0.458 -0.088 -0.020 -0.097 57  THR AAA C   
432  O O   . THR A 57  ? 0.832 0.631 0.432 -0.087 -0.029 -0.093 57  THR AAA O   
433  C CB  . THR A 57  ? 0.885 0.632 0.496 -0.087 -0.019 -0.057 57  THR AAA CB  
434  O OG1 . THR A 57  ? 0.906 0.646 0.517 -0.104 -0.013 -0.048 57  THR AAA OG1 
435  C CG2 . THR A 57  ? 0.903 0.629 0.523 -0.067 -0.017 -0.041 57  THR AAA CG2 
436  N N   . PRO A 58  ? 0.886 0.635 0.496 -0.079 -0.012 -0.110 58  PRO AAA N   
437  C CA  . PRO A 58  ? 0.857 0.631 0.462 -0.069 -0.014 -0.117 58  PRO AAA CA  
438  C C   . PRO A 58  ? 0.849 0.633 0.471 -0.049 -0.016 -0.098 58  PRO AAA C   
439  O O   . PRO A 58  ? 0.854 0.618 0.489 -0.038 -0.014 -0.084 58  PRO AAA O   
440  C CB  . PRO A 58  ? 0.897 0.650 0.498 -0.072 0.000  -0.143 58  PRO AAA CB  
441  C CG  . PRO A 58  ? 0.948 0.653 0.566 -0.069 0.011  -0.143 58  PRO AAA CG  
442  C CD  . PRO A 58  ? 0.924 0.627 0.546 -0.077 0.002  -0.120 58  PRO AAA CD  
443  N N   . THR A 59  ? 0.811 0.626 0.431 -0.045 -0.021 -0.096 59  THR AAA N   
444  C CA  . THR A 59  ? 0.789 0.623 0.429 -0.030 -0.023 -0.084 59  THR AAA CA  
445  C C   . THR A 59  ? 0.780 0.634 0.421 -0.029 -0.015 -0.095 59  THR AAA C   
446  O O   . THR A 59  ? 0.771 0.632 0.390 -0.041 -0.015 -0.102 59  THR AAA O   
447  C CB  . THR A 59  ? 0.767 0.621 0.403 -0.033 -0.038 -0.069 59  THR AAA CB  
448  O OG1 . THR A 59  ? 0.779 0.615 0.407 -0.036 -0.042 -0.059 59  THR AAA OG1 
449  C CG2 . THR A 59  ? 0.762 0.640 0.420 -0.022 -0.045 -0.058 59  THR AAA CG2 
450  N N   . TYR A 60  ? 0.792 0.657 0.459 -0.015 -0.007 -0.092 60  TYR AAA N   
451  C CA  . TYR A 60  ? 0.814 0.702 0.487 -0.014 0.006  -0.100 60  TYR AAA CA  
452  C C   . TYR A 60  ? 0.779 0.701 0.488 -0.006 0.000  -0.086 60  TYR AAA C   
453  O O   . TYR A 60  ? 0.772 0.696 0.506 0.007  -0.007 -0.075 60  TYR AAA O   
454  C CB  . TYR A 60  ? 0.835 0.708 0.511 -0.005 0.028  -0.119 60  TYR AAA CB  
455  C CG  . TYR A 60  ? 0.871 0.708 0.517 -0.015 0.032  -0.138 60  TYR AAA CG  
456  C CD1 . TYR A 60  ? 0.877 0.719 0.485 -0.031 0.035  -0.154 60  TYR AAA CD1 
457  C CD2 . TYR A 60  ? 0.886 0.686 0.542 -0.009 0.033  -0.139 60  TYR AAA CD2 
458  C CE1 . TYR A 60  ? 0.898 0.714 0.481 -0.044 0.036  -0.174 60  TYR AAA CE1 
459  C CE2 . TYR A 60  ? 0.927 0.694 0.561 -0.023 0.037  -0.158 60  TYR AAA CE2 
460  C CZ  . TYR A 60  ? 0.932 0.709 0.530 -0.041 0.038  -0.179 60  TYR AAA CZ  
461  O OH  . TYR A 60  ? 0.965 0.717 0.542 -0.059 0.039  -0.201 60  TYR AAA OH  
462  N N   . VAL A 61  ? 0.768 0.717 0.480 -0.015 0.004  -0.085 61  VAL AAA N   
463  C CA  . VAL A 61  ? 0.760 0.747 0.515 -0.010 0.005  -0.076 61  VAL AAA CA  
464  C C   . VAL A 61  ? 0.793 0.791 0.579 0.009  0.026  -0.083 61  VAL AAA C   
465  O O   . VAL A 61  ? 0.784 0.757 0.549 0.013  0.045  -0.099 61  VAL AAA O   
466  C CB  . VAL A 61  ? 0.749 0.758 0.503 -0.028 0.007  -0.072 61  VAL AAA CB  
467  C CG1 . VAL A 61  ? 0.747 0.739 0.475 -0.042 -0.011 -0.068 61  VAL AAA CG1 
468  C CG2 . VAL A 61  ? 0.759 0.767 0.493 -0.032 0.031  -0.080 61  VAL AAA CG2 
469  N N   . ASP A 62  ? 0.801 0.836 0.638 0.020  0.023  -0.072 62  ASP AAA N   
470  C CA  . ASP A 62  ? 0.872 0.922 0.754 0.045  0.042  -0.075 62  ASP AAA CA  
471  C C   . ASP A 62  ? 0.884 0.942 0.761 0.043  0.075  -0.093 62  ASP AAA C   
472  O O   . ASP A 62  ? 0.928 0.971 0.815 0.062  0.098  -0.107 62  ASP AAA O   
473  C CB  . ASP A 62  ? 0.909 1.012 0.853 0.056  0.027  -0.057 62  ASP AAA CB  
474  C CG  . ASP A 62  ? 0.997 1.094 0.977 0.088  0.024  -0.046 62  ASP AAA CG  
475  O OD1 . ASP A 62  ? 1.015 1.076 0.968 0.091  0.007  -0.037 62  ASP AAA OD1 
476  O OD2 . ASP A 62  ? 1.036 1.162 1.071 0.111  0.042  -0.047 62  ASP AAA OD2 
477  N N   . SER A 63  ? 0.870 0.948 0.731 0.021  0.079  -0.092 63  SER AAA N   
478  C CA  . SER A 63  ? 0.901 0.998 0.757 0.016  0.112  -0.102 63  SER AAA CA  
479  C C   . SER A 63  ? 0.923 0.980 0.717 0.014  0.128  -0.123 63  SER AAA C   
480  O O   . SER A 63  ? 0.919 0.989 0.702 0.014  0.159  -0.136 63  SER AAA O   
481  C CB  . SER A 63  ? 0.888 1.013 0.743 -0.008 0.111  -0.089 63  SER AAA CB  
482  O OG  . SER A 63  ? 0.912 1.003 0.713 -0.026 0.094  -0.084 63  SER AAA OG  
483  N N   . VAL A 64  ? 0.911 0.926 0.665 0.009  0.109  -0.127 64  VAL AAA N   
484  C CA  . VAL A 64  ? 0.998 0.980 0.694 0.002  0.118  -0.148 64  VAL AAA CA  
485  C C   . VAL A 64  ? 1.050 0.990 0.749 0.015  0.117  -0.164 64  VAL AAA C   
486  O O   . VAL A 64  ? 1.085 0.996 0.740 0.007  0.125  -0.188 64  VAL AAA O   
487  C CB  . VAL A 64  ? 0.981 0.954 0.628 -0.020 0.098  -0.139 64  VAL AAA CB  
488  C CG1 . VAL A 64  ? 0.962 0.967 0.611 -0.033 0.100  -0.118 64  VAL AAA CG1 
489  C CG2 . VAL A 64  ? 0.969 0.918 0.617 -0.022 0.069  -0.129 64  VAL AAA CG2 
490  N N   . LYS A 65  ? 1.110 1.047 0.826 0.009  -0.072 -0.033 65  LYS AAA N   
491  C CA  . LYS A 65  ? 1.207 1.134 0.919 0.016  -0.076 -0.008 65  LYS AAA CA  
492  C C   . LYS A 65  ? 1.255 1.134 0.981 0.023  -0.052 -0.015 65  LYS AAA C   
493  O O   . LYS A 65  ? 1.297 1.151 0.990 0.014  -0.047 -0.024 65  LYS AAA O   
494  C CB  . LYS A 65  ? 1.234 1.201 0.985 0.028  -0.096 0.027  65  LYS AAA CB  
495  C CG  . LYS A 65  ? 1.307 1.270 1.057 0.036  -0.100 0.064  65  LYS AAA CG  
496  C CD  . LYS A 65  ? 1.382 1.403 1.151 0.045  -0.127 0.107  65  LYS AAA CD  
497  C CE  . LYS A 65  ? 1.422 1.442 1.184 0.051  -0.129 0.152  65  LYS AAA CE  
498  N NZ  . LYS A 65  ? 1.440 1.533 1.195 0.056  -0.160 0.196  65  LYS AAA NZ  
499  N N   . ASP A 66  ? 1.211 1.082 0.987 0.037  -0.036 -0.017 66  ASP AAA N   
500  C CA  . ASP A 66  ? 1.249 1.076 1.051 0.045  -0.011 -0.028 66  ASP AAA CA  
501  C C   . ASP A 66  ? 1.183 0.989 0.948 0.034  0.009  -0.071 66  ASP AAA C   
502  O O   . ASP A 66  ? 1.190 0.960 0.958 0.032  0.025  -0.091 66  ASP AAA O   
503  C CB  . ASP A 66  ? 1.295 1.125 1.174 0.067  0.001  -0.012 66  ASP AAA CB  
504  C CG  . ASP A 66  ? 1.344 1.190 1.267 0.079  -0.016 0.038  66  ASP AAA CG  
505  O OD1 . ASP A 66  ? 1.361 1.191 1.262 0.073  -0.023 0.055  66  ASP AAA OD1 
506  O OD2 . ASP A 66  ? 1.366 1.244 1.348 0.096  -0.022 0.064  66  ASP AAA OD2 
507  N N   . ARG A 67  ? 1.087 0.915 0.820 0.027  0.007  -0.082 67  ARG AAA N   
508  C CA  . ARG A 67  ? 1.069 0.890 0.764 0.019  0.024  -0.111 67  ARG AAA CA  
509  C C   . ARG A 67  ? 1.053 0.868 0.696 0.003  0.011  -0.117 67  ARG AAA C   
510  O O   . ARG A 67  ? 1.028 0.835 0.641 -0.004 0.020  -0.140 67  ARG AAA O   
511  C CB  . ARG A 67  ? 1.065 0.915 0.766 0.021  0.030  -0.108 67  ARG AAA CB  
512  C CG  . ARG A 67  ? 1.061 0.930 0.827 0.035  0.038  -0.095 67  ARG AAA CG  
513  C CD  . ARG A 67  ? 1.062 0.960 0.846 0.035  0.050  -0.094 67  ARG AAA CD  
514  N NE  . ARG A 67  ? 1.034 0.953 0.815 0.022  0.028  -0.081 67  ARG AAA NE  
515  C CZ  . ARG A 67  ? 1.028 0.948 0.775 0.010  0.030  -0.084 67  ARG AAA CZ  
516  N NH1 . ARG A 67  ? 1.063 0.970 0.766 0.009  0.048  -0.093 67  ARG AAA NH1 
517  N NH2 . ARG A 67  ? 0.994 0.928 0.753 -0.001 0.013  -0.077 67  ARG AAA NH2 
518  N N   . PHE A 68  ? 1.021 0.847 0.653 -0.002 -0.009 -0.099 68  PHE AAA N   
519  C CA  . PHE A 68  ? 0.980 0.806 0.573 -0.014 -0.019 -0.101 68  PHE AAA CA  
520  C C   . PHE A 68  ? 0.970 0.782 0.567 -0.018 -0.026 -0.092 68  PHE AAA C   
521  O O   . PHE A 68  ? 0.966 0.781 0.586 -0.012 -0.032 -0.071 68  PHE AAA O   
522  C CB  . PHE A 68  ? 0.968 0.816 0.553 -0.018 -0.030 -0.092 68  PHE AAA CB  
523  C CG  . PHE A 68  ? 0.964 0.823 0.550 -0.019 -0.022 -0.095 68  PHE AAA CG  
524  C CD1 . PHE A 68  ? 0.994 0.856 0.590 -0.013 -0.005 -0.100 68  PHE AAA CD1 
525  C CD2 . PHE A 68  ? 0.974 0.843 0.560 -0.024 -0.027 -0.092 68  PHE AAA CD2 
526  C CE1 . PHE A 68  ? 0.994 0.871 0.596 -0.014 0.006  -0.095 68  PHE AAA CE1 
527  C CE2 . PHE A 68  ? 0.987 0.863 0.587 -0.025 -0.016 -0.089 68  PHE AAA CE2 
528  C CZ  . PHE A 68  ? 0.989 0.871 0.596 -0.020 -0.000 -0.086 68  PHE AAA CZ  
529  N N   . THR A 69  ? 0.956 0.759 0.534 -0.029 -0.025 -0.104 69  THR AAA N   
530  C CA  . THR A 69  ? 0.968 0.761 0.552 -0.037 -0.030 -0.095 69  THR AAA CA  
531  C C   . THR A 69  ? 0.945 0.756 0.503 -0.046 -0.037 -0.096 69  THR AAA C   
532  O O   . THR A 69  ? 0.915 0.735 0.456 -0.051 -0.038 -0.111 69  THR AAA O   
533  C CB  . THR A 69  ? 0.996 0.760 0.605 -0.043 -0.020 -0.113 69  THR AAA CB  
534  O OG1 . THR A 69  ? 1.015 0.762 0.660 -0.030 -0.009 -0.111 69  THR AAA OG1 
535  C CG2 . THR A 69  ? 1.015 0.769 0.644 -0.053 -0.022 -0.099 69  THR AAA CG2 
536  N N   . ILE A 70  ? 0.938 0.758 0.493 -0.048 -0.041 -0.078 70  ILE AAA N   
537  C CA  . ILE A 70  ? 0.940 0.777 0.483 -0.055 -0.043 -0.077 70  ILE AAA CA  
538  C C   . ILE A 70  ? 0.956 0.787 0.519 -0.065 -0.040 -0.069 70  ILE AAA C   
539  O O   . ILE A 70  ? 1.015 0.832 0.595 -0.064 -0.036 -0.053 70  ILE AAA O   
540  C CB  . ILE A 70  ? 0.929 0.785 0.458 -0.050 -0.043 -0.070 70  ILE AAA CB  
541  C CG1 . ILE A 70  ? 0.916 0.787 0.444 -0.052 -0.040 -0.074 70  ILE AAA CG1 
542  C CG2 . ILE A 70  ? 0.954 0.818 0.480 -0.048 -0.043 -0.050 70  ILE AAA CG2 
543  C CD1 . ILE A 70  ? 0.955 0.838 0.474 -0.048 -0.035 -0.079 70  ILE AAA CD1 
544  N N   . SER A 71  ? 0.956 0.800 0.524 -0.075 -0.042 -0.077 71  SER AAA N   
545  C CA  . SER A 71  ? 0.975 0.819 0.573 -0.089 -0.039 -0.071 71  SER AAA CA  
546  C C   . SER A 71  ? 0.946 0.821 0.550 -0.095 -0.044 -0.072 71  SER AAA C   
547  O O   . SER A 71  ? 0.921 0.813 0.508 -0.086 -0.048 -0.076 71  SER AAA O   
548  C CB  . SER A 71  ? 1.008 0.826 0.630 -0.100 -0.041 -0.091 71  SER AAA CB  
549  O OG  . SER A 71  ? 1.002 0.832 0.606 -0.104 -0.051 -0.119 71  SER AAA OG  
550  N N   . ARG A 72  ? 0.958 0.841 0.596 -0.108 -0.040 -0.064 72  ARG AAA N   
551  C CA  . ARG A 72  ? 0.971 0.891 0.631 -0.114 -0.043 -0.061 72  ARG AAA CA  
552  C C   . ARG A 72  ? 1.008 0.934 0.709 -0.137 -0.053 -0.073 72  ARG AAA C   
553  O O   . ARG A 72  ? 0.986 0.884 0.712 -0.148 -0.045 -0.073 72  ARG AAA O   
554  C CB  . ARG A 72  ? 0.978 0.913 0.645 -0.107 -0.024 -0.038 72  ARG AAA CB  
555  C CG  . ARG A 72  ? 0.979 0.954 0.677 -0.107 -0.023 -0.034 72  ARG AAA CG  
556  C CD  . ARG A 72  ? 0.994 0.984 0.691 -0.095 0.003  -0.020 72  ARG AAA CD  
557  N NE  . ARG A 72  ? 1.012 1.040 0.759 -0.098 0.011  -0.010 72  ARG AAA NE  
558  C CZ  . ARG A 72  ? 1.045 1.089 0.837 -0.114 0.018  0.003  72  ARG AAA CZ  
559  N NH1 . ARG A 72  ? 1.045 1.066 0.839 -0.128 0.020  0.011  72  ARG AAA NH1 
560  N NH2 . ARG A 72  ? 1.068 1.154 0.915 -0.116 0.025  0.012  72  ARG AAA NH2 
561  N N   . HIS A 73  ? 1.061 1.026 0.775 -0.144 -0.071 -0.084 73  HIS AAA N   
562  C CA  . HIS A 73  ? 1.124 1.114 0.886 -0.170 -0.084 -0.097 73  HIS AAA CA  
563  C C   . HIS A 73  ? 1.114 1.146 0.920 -0.170 -0.079 -0.071 73  HIS AAA C   
564  O O   . HIS A 73  ? 1.046 1.111 0.846 -0.153 -0.082 -0.058 73  HIS AAA O   
565  C CB  . HIS A 73  ? 1.175 1.188 0.914 -0.180 -0.112 -0.128 73  HIS AAA CB  
566  C CG  . HIS A 73  ? 1.243 1.262 1.019 -0.212 -0.125 -0.161 73  HIS AAA CG  
567  N ND1 . HIS A 73  ? 1.299 1.269 1.076 -0.224 -0.118 -0.193 73  HIS AAA ND1 
568  C CD2 . HIS A 73  ? 1.266 1.337 1.087 -0.236 -0.147 -0.171 73  HIS AAA CD2 
569  C CE1 . HIS A 73  ? 1.314 1.298 1.134 -0.256 -0.132 -0.227 73  HIS AAA CE1 
570  N NE2 . HIS A 73  ? 1.293 1.343 1.139 -0.265 -0.152 -0.214 73  HIS AAA NE2 
571  N N   . ASN A 74  ? 1.163 1.194 1.023 -0.186 -0.066 -0.062 74  ASN AAA N   
572  C CA  . ASN A 74  ? 1.175 1.243 1.084 -0.185 -0.049 -0.034 74  ASN AAA CA  
573  C C   . ASN A 74  ? 1.167 1.298 1.116 -0.191 -0.073 -0.037 74  ASN AAA C   
574  O O   . ASN A 74  ? 1.128 1.291 1.088 -0.172 -0.064 -0.017 74  ASN AAA O   
575  C CB  . ASN A 74  ? 1.209 1.262 1.172 -0.206 -0.030 -0.021 74  ASN AAA CB  
576  C CG  . ASN A 74  ? 1.216 1.296 1.208 -0.198 0.001  0.014  74  ASN AAA CG  
577  O OD1 . ASN A 74  ? 1.235 1.299 1.180 -0.177 0.025  0.031  74  ASN AAA OD1 
578  N ND2 . ASN A 74  ? 1.230 1.354 1.298 -0.215 0.003  0.023  74  ASN AAA ND2 
579  N N   . ALA A 75  ? 1.164 1.314 1.135 -0.218 -0.103 -0.063 75  ALA AAA N   
580  C CA  . ALA A 75  ? 1.169 1.393 1.187 -0.231 -0.134 -0.067 75  ALA AAA CA  
581  C C   . ALA A 75  ? 1.150 1.413 1.145 -0.202 -0.144 -0.045 75  ALA AAA C   
582  O O   . ALA A 75  ? 1.118 1.437 1.172 -0.196 -0.146 -0.020 75  ALA AAA O   
583  C CB  . ALA A 75  ? 1.185 1.416 1.196 -0.262 -0.167 -0.110 75  ALA AAA CB  
584  N N   . ASN A 76  ? 1.163 1.395 1.083 -0.184 -0.147 -0.051 76  ASN AAA N   
585  C CA  . ASN A 76  ? 1.134 1.397 1.033 -0.158 -0.157 -0.029 76  ASN AAA CA  
586  C C   . ASN A 76  ? 1.086 1.306 0.966 -0.128 -0.122 -0.011 76  ASN AAA C   
587  O O   . ASN A 76  ? 1.051 1.283 0.921 -0.105 -0.124 0.008  76  ASN AAA O   
588  C CB  . ASN A 76  ? 1.136 1.408 0.973 -0.163 -0.185 -0.048 76  ASN AAA CB  
589  C CG  . ASN A 76  ? 1.163 1.365 0.934 -0.161 -0.169 -0.072 76  ASN AAA CG  
590  O OD1 . ASN A 76  ? 1.168 1.316 0.941 -0.159 -0.143 -0.077 76  ASN AAA OD1 
591  N ND2 . ASN A 76  ? 1.196 1.405 0.911 -0.159 -0.184 -0.085 76  ASN AAA ND2 
592  N N   . ASN A 77  ? 1.067 1.245 0.946 -0.128 -0.092 -0.014 77  ASN AAA N   
593  C CA  . ASN A 77  ? 1.032 1.180 0.896 -0.103 -0.059 -0.004 77  ASN AAA CA  
594  C C   . ASN A 77  ? 0.983 1.099 0.790 -0.087 -0.062 -0.010 77  ASN AAA C   
595  O O   . ASN A 77  ? 0.941 1.059 0.757 -0.065 -0.049 0.001  77  ASN AAA O   
596  C CB  . ASN A 77  ? 1.054 1.244 0.981 -0.088 -0.043 0.018  77  ASN AAA CB  
597  C CG  . ASN A 77  ? 1.098 1.271 1.030 -0.079 -0.002 0.019  77  ASN AAA CG  
598  O OD1 . ASN A 77  ? 1.172 1.302 1.048 -0.076 0.013  0.007  77  ASN AAA OD1 
599  N ND2 . ASN A 77  ? 1.117 1.331 1.116 -0.075 0.016  0.034  77  ASN AAA ND2 
600  N N   . THR A 78  ? 0.945 1.035 0.706 -0.097 -0.076 -0.028 78  THR AAA N   
601  C CA  . THR A 78  ? 0.930 1.000 0.643 -0.086 -0.083 -0.032 78  THR AAA CA  
602  C C   . THR A 78  ? 0.928 0.947 0.599 -0.088 -0.072 -0.050 78  THR AAA C   
603  O O   . THR A 78  ? 0.928 0.932 0.598 -0.105 -0.074 -0.063 78  THR AAA O   
604  C CB  . THR A 78  ? 0.940 1.045 0.640 -0.095 -0.112 -0.035 78  THR AAA CB  
605  O OG1 . THR A 78  ? 0.911 1.071 0.653 -0.087 -0.124 -0.008 78  THR AAA OG1 
606  C CG2 . THR A 78  ? 0.949 1.032 0.596 -0.086 -0.113 -0.040 78  THR AAA CG2 
607  N N   . VAL A 79  ? 0.903 0.897 0.549 -0.073 -0.060 -0.048 79  VAL AAA N   
608  C CA  . VAL A 79  ? 0.929 0.884 0.539 -0.072 -0.053 -0.060 79  VAL AAA CA  
609  C C   . VAL A 79  ? 0.926 0.873 0.508 -0.069 -0.063 -0.068 79  VAL AAA C   
610  O O   . VAL A 79  ? 0.911 0.873 0.494 -0.059 -0.065 -0.057 79  VAL AAA O   
611  C CB  . VAL A 79  ? 0.906 0.848 0.510 -0.060 -0.034 -0.059 79  VAL AAA CB  
612  C CG1 . VAL A 79  ? 0.927 0.842 0.499 -0.058 -0.034 -0.067 79  VAL AAA CG1 
613  C CG2 . VAL A 79  ? 0.917 0.870 0.537 -0.063 -0.020 -0.052 79  VAL AAA CG2 
614  N N   . TYR A 80  ? 0.943 0.868 0.506 -0.077 -0.065 -0.083 80  TYR AAA N   
615  C CA  . TYR A 80  ? 0.992 0.912 0.529 -0.075 -0.069 -0.095 80  TYR AAA CA  
616  C C   . TYR A 80  ? 0.981 0.871 0.507 -0.066 -0.058 -0.097 80  TYR AAA C   
617  O O   . TYR A 80  ? 0.956 0.827 0.491 -0.066 -0.052 -0.095 80  TYR AAA O   
618  C CB  . TYR A 80  ? 1.034 0.956 0.567 -0.092 -0.078 -0.119 80  TYR AAA CB  
619  C CG  . TYR A 80  ? 1.065 1.029 0.610 -0.104 -0.095 -0.120 80  TYR AAA CG  
620  C CD1 . TYR A 80  ? 1.102 1.107 0.625 -0.102 -0.108 -0.114 80  TYR AAA CD1 
621  C CD2 . TYR A 80  ? 1.077 1.045 0.659 -0.118 -0.099 -0.122 80  TYR AAA CD2 
622  C CE1 . TYR A 80  ? 1.117 1.173 0.654 -0.114 -0.130 -0.111 80  TYR AAA CE1 
623  C CE2 . TYR A 80  ? 1.112 1.127 0.714 -0.132 -0.118 -0.122 80  TYR AAA CE2 
624  C CZ  . TYR A 80  ? 1.126 1.187 0.704 -0.129 -0.135 -0.117 80  TYR AAA CZ  
625  O OH  . TYR A 80  ? 1.133 1.251 0.735 -0.142 -0.159 -0.114 80  TYR AAA OH  
626  N N   . LEU A 81  ? 0.985 0.878 0.497 -0.058 -0.054 -0.096 81  LEU AAA N   
627  C CA  . LEU A 81  ? 0.969 0.842 0.478 -0.050 -0.046 -0.100 81  LEU AAA CA  
628  C C   . LEU A 81  ? 0.995 0.869 0.487 -0.051 -0.042 -0.114 81  LEU AAA C   
629  O O   . LEU A 81  ? 0.989 0.884 0.465 -0.049 -0.040 -0.108 81  LEU AAA O   
630  C CB  . LEU A 81  ? 0.958 0.835 0.476 -0.042 -0.041 -0.087 81  LEU AAA CB  
631  C CG  . LEU A 81  ? 0.947 0.812 0.474 -0.037 -0.036 -0.090 81  LEU AAA CG  
632  C CD1 . LEU A 81  ? 0.955 0.812 0.486 -0.038 -0.040 -0.092 81  LEU AAA CD1 
633  C CD2 . LEU A 81  ? 0.928 0.798 0.472 -0.034 -0.030 -0.084 81  LEU AAA CD2 
634  N N   . GLN A 82  ? 1.035 0.889 0.533 -0.055 -0.037 -0.132 82  GLN AAA N   
635  C CA  . GLN A 82  ? 1.079 0.929 0.565 -0.055 -0.027 -0.156 82  GLN AAA CA  
636  C C   . GLN A 82  ? 1.104 0.946 0.605 -0.041 -0.014 -0.147 82  GLN AAA C   
637  O O   . GLN A 82  ? 1.074 0.898 0.604 -0.035 -0.014 -0.138 82  GLN AAA O   
638  C CB  . GLN A 82  ? 1.122 0.948 0.627 -0.064 -0.024 -0.182 82  GLN AAA CB  
639  C CG  . GLN A 82  ? 1.153 0.971 0.648 -0.066 -0.009 -0.218 82  GLN AAA CG  
640  C CD  . GLN A 82  ? 1.201 1.060 0.646 -0.074 -0.013 -0.235 82  GLN AAA CD  
641  O OE1 . GLN A 82  ? 1.168 1.053 0.596 -0.086 -0.033 -0.232 82  GLN AAA OE1 
642  N NE2 . GLN A 82  ? 1.220 1.089 0.641 -0.066 0.005  -0.247 82  GLN AAA NE2 
643  N N   . MET A 83  ? 1.095 0.958 0.579 -0.036 -0.004 -0.144 83  MET AAA N   
644  C CA  . MET A 83  ? 1.109 0.973 0.613 -0.025 0.010  -0.134 83  MET AAA CA  
645  C C   . MET A 83  ? 1.166 1.032 0.663 -0.021 0.032  -0.157 83  MET AAA C   
646  O O   . MET A 83  ? 1.146 1.037 0.604 -0.024 0.040  -0.164 83  MET AAA O   
647  C CB  . MET A 83  ? 1.120 1.006 0.622 -0.024 0.011  -0.109 83  MET AAA CB  
648  C CG  . MET A 83  ? 1.124 1.008 0.634 -0.027 -0.005 -0.094 83  MET AAA CG  
649  S SD  . MET A 83  ? 1.170 1.066 0.703 -0.024 0.002  -0.067 83  MET AAA SD  
650  C CE  . MET A 83  ? 1.216 1.143 0.715 -0.022 0.012  -0.049 83  MET AAA CE  
651  N N   . ASN A 84  ? 1.143 0.988 0.676 -0.013 0.042  -0.168 84  ASN AAA N   
652  C CA  . ASN A 84  ? 1.186 1.026 0.726 -0.006 0.070  -0.196 84  ASN AAA CA  
653  C C   . ASN A 84  ? 1.197 1.050 0.777 0.008  0.086  -0.179 84  ASN AAA C   
654  O O   . ASN A 84  ? 1.102 0.965 0.706 0.009  0.071  -0.150 84  ASN AAA O   
655  C CB  . ASN A 84  ? 1.197 1.001 0.768 -0.006 0.073  -0.221 84  ASN AAA CB  
656  C CG  . ASN A 84  ? 1.215 1.012 0.751 -0.024 0.061  -0.248 84  ASN AAA CG  
657  O OD1 . ASN A 84  ? 1.205 1.031 0.692 -0.035 0.048  -0.246 84  ASN AAA OD1 
658  N ND2 . ASN A 84  ? 1.250 1.010 0.820 -0.028 0.066  -0.271 84  ASN AAA ND2 
659  N N   . MET A 85  ? 1.205 1.062 0.795 0.017  0.117  -0.201 85  MET AAA N   
660  C CA  . MET A 85  ? 1.232 1.107 0.871 0.031  0.140  -0.187 85  MET AAA CA  
661  C C   . MET A 85  ? 1.164 1.067 0.806 0.026  0.128  -0.151 85  MET AAA C   
662  O O   . MET A 85  ? 1.160 1.071 0.859 0.031  0.121  -0.130 85  MET AAA O   
663  C CB  . MET A 85  ? 1.277 1.134 0.992 0.045  0.137  -0.180 85  MET AAA CB  
664  C CG  . MET A 85  ? 1.368 1.193 1.110 0.054  0.161  -0.215 85  MET AAA CG  
665  S SD  . MET A 85  ? 1.538 1.377 1.274 0.064  0.215  -0.257 85  MET AAA SD  
666  C CE  . MET A 85  ? 1.462 1.338 1.270 0.082  0.230  -0.219 85  MET AAA CE  
667  N N   . LEU A 86  ? 1.131 1.050 0.719 0.016  0.125  -0.142 86  LEU AAA N   
668  C CA  . LEU A 86  ? 1.094 1.031 0.694 0.011  0.117  -0.107 86  LEU AAA CA  
669  C C   . LEU A 86  ? 1.095 1.056 0.744 0.017  0.144  -0.092 86  LEU AAA C   
670  O O   . LEU A 86  ? 1.135 1.112 0.775 0.025  0.177  -0.104 86  LEU AAA O   
671  C CB  . LEU A 86  ? 1.097 1.050 0.639 0.003  0.115  -0.095 86  LEU AAA CB  
672  C CG  . LEU A 86  ? 1.079 1.016 0.597 -0.005 0.083  -0.095 86  LEU AAA CG  
673  C CD1 . LEU A 86  ? 1.111 1.074 0.571 -0.010 0.081  -0.086 86  LEU AAA CD1 
674  C CD2 . LEU A 86  ? 1.031 0.957 0.590 -0.009 0.066  -0.074 86  LEU AAA CD2 
675  N N   . LYS A 87  ? 1.069 1.036 0.772 0.012  0.132  -0.069 87  LYS AAA N   
676  C CA  . LYS A 87  ? 1.073 1.066 0.838 0.013  0.154  -0.050 87  LYS AAA CA  
677  C C   . LYS A 87  ? 1.075 1.078 0.845 0.002  0.158  -0.020 87  LYS AAA C   
678  O O   . LYS A 87  ? 1.039 1.025 0.777 -0.004 0.138  -0.015 87  LYS AAA O   
679  C CB  . LYS A 87  ? 1.082 1.080 0.921 0.014  0.135  -0.052 87  LYS AAA CB  
680  C CG  . LYS A 87  ? 1.117 1.107 0.969 0.029  0.134  -0.070 87  LYS AAA CG  
681  C CD  . LYS A 87  ? 1.130 1.130 1.041 0.029  0.103  -0.064 87  LYS AAA CD  
682  C CE  . LYS A 87  ? 1.160 1.147 1.085 0.045  0.099  -0.071 87  LYS AAA CE  
683  N NZ  . LYS A 87  ? 1.160 1.166 1.133 0.046  0.064  -0.056 87  LYS AAA NZ  
684  N N   . PRO A 88  ? 1.089 1.117 0.908 0.001  0.186  0.004  88  PRO AAA N   
685  C CA  . PRO A 88  ? 1.089 1.121 0.937 -0.010 0.193  0.038  88  PRO AAA CA  
686  C C   . PRO A 88  ? 1.065 1.072 0.956 -0.024 0.159  0.031  88  PRO AAA C   
687  O O   . PRO A 88  ? 1.075 1.071 0.974 -0.030 0.161  0.053  88  PRO AAA O   
688  C CB  . PRO A 88  ? 1.098 1.162 1.017 -0.010 0.228  0.059  88  PRO AAA CB  
689  C CG  . PRO A 88  ? 1.123 1.206 1.013 0.005  0.252  0.040  88  PRO AAA CG  
690  C CD  . PRO A 88  ? 1.105 1.160 0.963 0.011  0.219  0.001  88  PRO AAA CD  
691  N N   . GLU A 89  ? 1.043 1.046 0.961 -0.027 0.133  0.004  89  GLU AAA N   
692  C CA  . GLU A 89  ? 1.039 1.029 0.989 -0.041 0.100  -0.013 89  GLU AAA CA  
693  C C   . GLU A 89  ? 1.035 0.995 0.923 -0.041 0.083  -0.019 89  GLU AAA C   
694  O O   . GLU A 89  ? 1.084 1.028 0.997 -0.053 0.071  -0.027 89  GLU AAA O   
695  C CB  . GLU A 89  ? 1.051 1.053 1.015 -0.040 0.071  -0.037 89  GLU AAA CB  
696  C CG  . GLU A 89  ? 1.091 1.128 1.117 -0.035 0.082  -0.032 89  GLU AAA CG  
697  C CD  . GLU A 89  ? 1.104 1.153 1.129 -0.025 0.057  -0.044 89  GLU AAA CD  
698  O OE1 . GLU A 89  ? 1.119 1.156 1.108 -0.029 0.026  -0.057 89  GLU AAA OE1 
699  O OE2 . GLU A 89  ? 1.181 1.253 1.245 -0.011 0.072  -0.037 89  GLU AAA OE2 
700  N N   . ASP A 90  ? 0.983 1.059 0.466 -0.072 0.125  -0.093 90  ASP AAA N   
701  C CA  . ASP A 90  ? 0.962 1.002 0.435 -0.075 0.103  -0.088 90  ASP AAA CA  
702  C C   . ASP A 90  ? 0.971 1.007 0.417 -0.092 0.095  -0.069 90  ASP AAA C   
703  O O   . ASP A 90  ? 0.979 0.994 0.419 -0.094 0.076  -0.063 90  ASP AAA O   
704  C CB  . ASP A 90  ? 0.969 0.987 0.420 -0.066 0.100  -0.110 90  ASP AAA CB  
705  C CG  . ASP A 90  ? 0.976 0.988 0.449 -0.045 0.108  -0.128 90  ASP AAA CG  
706  O OD1 . ASP A 90  ? 0.919 0.925 0.426 -0.038 0.101  -0.122 90  ASP AAA OD1 
707  O OD2 . ASP A 90  ? 0.992 1.003 0.445 -0.034 0.123  -0.148 90  ASP AAA OD2 
708  N N   . THR A 91  ? 1.017 1.071 0.444 -0.103 0.108  -0.059 91  THR AAA N   
709  C CA  . THR A 91  ? 1.024 1.068 0.420 -0.118 0.100  -0.035 91  THR AAA CA  
710  C C   . THR A 91  ? 1.027 1.052 0.448 -0.120 0.088  -0.015 91  THR AAA C   
711  O O   . THR A 91  ? 0.972 1.004 0.423 -0.123 0.097  -0.013 91  THR AAA O   
712  C CB  . THR A 91  ? 1.054 1.118 0.423 -0.132 0.120  -0.028 91  THR AAA CB  
713  O OG1 . THR A 91  ? 1.057 1.135 0.395 -0.129 0.128  -0.047 91  THR AAA OG1 
714  C CG2 . THR A 91  ? 1.084 1.131 0.422 -0.145 0.113  0.001  91  THR AAA CG2 
715  N N   . ALA A 92  ? 1.002 1.007 0.411 -0.117 0.068  -0.003 92  ALA AAA N   
716  C CA  . ALA A 92  ? 1.008 0.991 0.436 -0.115 0.056  0.015  92  ALA AAA CA  
717  C C   . ALA A 92  ? 1.024 0.998 0.434 -0.109 0.035  0.025  92  ALA AAA C   
718  O O   . ALA A 92  ? 1.025 1.012 0.412 -0.109 0.029  0.014  92  ALA AAA O   
719  C CB  . ALA A 92  ? 0.981 0.963 0.454 -0.107 0.054  0.002  92  ALA AAA CB  
720  N N   . ILE A 93  ? 1.005 0.959 0.426 -0.103 0.025  0.044  93  ILE AAA N   
721  C CA  . ILE A 93  ? 1.002 0.955 0.422 -0.092 0.003  0.052  93  ILE AAA CA  
722  C C   . ILE A 93  ? 0.938 0.896 0.398 -0.086 -0.004 0.034  93  ILE AAA C   
723  O O   . ILE A 93  ? 0.911 0.857 0.400 -0.085 0.004  0.033  93  ILE AAA O   
724  C CB  . ILE A 93  ? 1.038 0.966 0.449 -0.084 -0.002 0.081  93  ILE AAA CB  
725  C CG1 . ILE A 93  ? 1.117 1.033 0.483 -0.092 0.006  0.101  93  ILE AAA CG1 
726  C CG2 . ILE A 93  ? 1.037 0.973 0.457 -0.068 -0.024 0.088  93  ILE AAA CG2 
727  C CD1 . ILE A 93  ? 1.154 1.029 0.509 -0.089 0.010  0.128  93  ILE AAA CD1 
728  N N   . TYR A 94  ? 0.905 0.881 0.364 -0.085 -0.016 0.021  94  TYR AAA N   
729  C CA  . TYR A 94  ? 0.876 0.854 0.366 -0.083 -0.022 0.003  94  TYR AAA CA  
730  C C   . TYR A 94  ? 0.879 0.866 0.384 -0.075 -0.040 0.015  94  TYR AAA C   
731  O O   . TYR A 94  ? 0.908 0.913 0.391 -0.073 -0.053 0.024  94  TYR AAA O   
732  C CB  . TYR A 94  ? 0.893 0.879 0.369 -0.091 -0.022 -0.021 94  TYR AAA CB  
733  C CG  . TYR A 94  ? 0.884 0.862 0.358 -0.093 -0.002 -0.035 94  TYR AAA CG  
734  C CD1 . TYR A 94  ? 0.894 0.876 0.346 -0.095 0.011  -0.030 94  TYR AAA CD1 
735  C CD2 . TYR A 94  ? 0.878 0.845 0.373 -0.090 0.003  -0.053 94  TYR AAA CD2 
736  C CE1 . TYR A 94  ? 0.901 0.884 0.355 -0.094 0.029  -0.044 94  TYR AAA CE1 
737  C CE2 . TYR A 94  ? 0.886 0.849 0.382 -0.086 0.020  -0.065 94  TYR AAA CE2 
738  C CZ  . TYR A 94  ? 0.903 0.878 0.381 -0.087 0.033  -0.062 94  TYR AAA CZ  
739  O OH  . TYR A 94  ? 0.907 0.888 0.390 -0.081 0.051  -0.074 94  TYR AAA OH  
740  N N   . TYR A 95  ? 0.836 0.815 0.375 -0.069 -0.040 0.014  95  TYR AAA N   
741  C CA  . TYR A 95  ? 0.848 0.840 0.407 -0.060 -0.054 0.021  95  TYR AAA CA  
742  C C   . TYR A 95  ? 0.827 0.828 0.411 -0.067 -0.057 0.001  95  TYR AAA C   
743  O O   . TYR A 95  ? 0.830 0.812 0.424 -0.072 -0.046 -0.011 95  TYR AAA O   
744  C CB  . TYR A 95  ? 0.860 0.830 0.436 -0.048 -0.049 0.037  95  TYR AAA CB  
745  C CG  . TYR A 95  ? 0.900 0.849 0.451 -0.043 -0.043 0.058  95  TYR AAA CG  
746  C CD1 . TYR A 95  ? 0.916 0.843 0.456 -0.054 -0.027 0.057  95  TYR AAA CD1 
747  C CD2 . TYR A 95  ? 0.933 0.883 0.469 -0.028 -0.054 0.079  95  TYR AAA CD2 
748  C CE1 . TYR A 95  ? 0.976 0.879 0.488 -0.055 -0.019 0.077  95  TYR AAA CE1 
749  C CE2 . TYR A 95  ? 0.988 0.908 0.494 -0.025 -0.048 0.100  95  TYR AAA CE2 
750  C CZ  . TYR A 95  ? 1.023 0.918 0.515 -0.040 -0.030 0.099  95  TYR AAA CZ  
751  O OH  . TYR A 95  ? 1.081 0.944 0.540 -0.042 -0.022 0.120  95  TYR AAA OH  
752  N N   . CYS A 96  ? 0.833 0.863 0.423 -0.069 -0.072 -0.002 96  CYS AAA N   
753  C CA  . CYS A 96  ? 0.840 0.878 0.455 -0.076 -0.075 -0.016 96  CYS AAA CA  
754  C C   . CYS A 96  ? 0.783 0.829 0.429 -0.061 -0.077 -0.004 96  CYS AAA C   
755  O O   . CYS A 96  ? 0.769 0.823 0.412 -0.045 -0.083 0.015  96  CYS AAA O   
756  C CB  . CYS A 96  ? 0.880 0.947 0.486 -0.092 -0.086 -0.031 96  CYS AAA CB  
757  S SG  . CYS A 96  ? 0.993 1.118 0.603 -0.086 -0.108 -0.018 96  CYS AAA SG  
758  N N   . ALA A 97  ? 0.716 0.755 0.385 -0.066 -0.072 -0.013 97  ALA AAA N   
759  C CA  . ALA A 97  ? 0.706 0.750 0.404 -0.053 -0.071 -0.006 97  ALA AAA CA  
760  C C   . ALA A 97  ? 0.683 0.745 0.401 -0.066 -0.073 -0.021 97  ALA AAA C   
761  O O   . ALA A 97  ? 0.707 0.756 0.415 -0.084 -0.070 -0.035 97  ALA AAA O   
762  C CB  . ALA A 97  ? 0.713 0.718 0.412 -0.047 -0.057 -0.001 97  ALA AAA CB  
763  N N   . ALA A 98  ? 0.663 0.752 0.406 -0.057 -0.077 -0.017 98  ALA AAA N   
764  C CA  . ALA A 98  ? 0.664 0.775 0.427 -0.072 -0.077 -0.030 98  ALA AAA CA  
765  C C   . ALA A 98  ? 0.647 0.751 0.433 -0.060 -0.068 -0.027 98  ALA AAA C   
766  O O   . ALA A 98  ? 0.658 0.758 0.451 -0.037 -0.066 -0.014 98  ALA AAA O   
767  C CB  . ALA A 98  ? 0.648 0.817 0.420 -0.078 -0.091 -0.032 98  ALA AAA CB  
768  N N   . GLY A 99  ? 0.647 0.749 0.443 -0.076 -0.062 -0.038 99  GLY AAA N   
769  C CA  . GLY A 99  ? 0.627 0.730 0.443 -0.071 -0.053 -0.039 99  GLY AAA CA  
770  C C   . GLY A 99  ? 0.619 0.753 0.449 -0.091 -0.054 -0.051 99  GLY AAA C   
771  O O   . GLY A 99  ? 0.626 0.754 0.439 -0.114 -0.057 -0.060 99  GLY AAA O   
772  N N   . ARG A 100 ? 0.616 0.781 0.471 -0.084 -0.050 -0.051 100 ARG AAA N   
773  C CA  . ARG A 100 ? 0.641 0.841 0.510 -0.105 -0.047 -0.062 100 ARG AAA CA  
774  C C   . ARG A 100 ? 0.626 0.781 0.482 -0.120 -0.036 -0.067 100 ARG AAA C   
775  O O   . ARG A 100 ? 0.609 0.773 0.480 -0.118 -0.026 -0.069 100 ARG AAA O   
776  C CB  . ARG A 100 ? 0.681 0.936 0.584 -0.088 -0.045 -0.060 100 ARG AAA CB  
777  C CG  . ARG A 100 ? 0.784 1.087 0.700 -0.066 -0.058 -0.051 100 ARG AAA CG  
778  C CD  . ARG A 100 ? 0.843 1.212 0.796 -0.050 -0.056 -0.051 100 ARG AAA CD  
779  N NE  . ARG A 100 ? 0.958 1.372 0.923 -0.023 -0.070 -0.040 100 ARG AAA NE  
780  C CZ  . ARG A 100 ? 1.034 1.507 1.005 -0.034 -0.086 -0.041 100 ARG AAA CZ  
781  N NH1 . ARG A 100 ? 1.013 1.504 0.978 -0.075 -0.088 -0.054 100 ARG AAA NH1 
782  N NH2 . ARG A 100 ? 1.075 1.589 1.056 -0.005 -0.099 -0.027 100 ARG AAA NH2 
783  N N   . PHE A 101 ? 0.611 0.723 0.441 -0.134 -0.036 -0.070 101 PHE AAA N   
784  C CA  . PHE A 101 ? 0.595 0.664 0.408 -0.148 -0.028 -0.074 101 PHE AAA CA  
785  C C   . PHE A 101 ? 0.630 0.668 0.415 -0.167 -0.031 -0.079 101 PHE AAA C   
786  O O   . PHE A 101 ? 0.613 0.658 0.389 -0.167 -0.039 -0.080 101 PHE AAA O   
787  C CB  . PHE A 101 ? 0.577 0.611 0.386 -0.130 -0.022 -0.068 101 PHE AAA CB  
788  C CG  . PHE A 101 ? 0.570 0.587 0.371 -0.114 -0.026 -0.061 101 PHE AAA CG  
789  C CD1 . PHE A 101 ? 0.575 0.562 0.354 -0.119 -0.028 -0.063 101 PHE AAA CD1 
790  C CD2 . PHE A 101 ? 0.578 0.604 0.391 -0.094 -0.026 -0.054 101 PHE AAA CD2 
791  C CE1 . PHE A 101 ? 0.575 0.551 0.346 -0.107 -0.030 -0.057 101 PHE AAA CE1 
792  C CE2 . PHE A 101 ? 0.568 0.576 0.370 -0.082 -0.028 -0.047 101 PHE AAA CE2 
793  C CZ  . PHE A 101 ? 0.560 0.547 0.342 -0.090 -0.030 -0.049 101 PHE AAA CZ  
794  N N   . ALA A 102 ? 0.613 0.616 0.380 -0.182 -0.025 -0.082 102 ALA AAA N   
795  C CA  . ALA A 102 ? 0.649 0.607 0.384 -0.195 -0.025 -0.086 102 ALA AAA CA  
796  C C   . ALA A 102 ? 0.663 0.580 0.387 -0.175 -0.022 -0.080 102 ALA AAA C   
797  O O   . ALA A 102 ? 0.670 0.569 0.391 -0.173 -0.017 -0.076 102 ALA AAA O   
798  C CB  . ALA A 102 ? 0.683 0.622 0.400 -0.223 -0.020 -0.092 102 ALA AAA CB  
799  N N   . GLY A 103 ? 0.643 0.551 0.360 -0.162 -0.026 -0.080 103 GLY AAA N   
800  C CA  . GLY A 103 ? 0.658 0.536 0.366 -0.145 -0.023 -0.075 103 GLY AAA CA  
801  C C   . GLY A 103 ? 0.657 0.547 0.372 -0.128 -0.025 -0.072 103 GLY AAA C   
802  O O   . GLY A 103 ? 0.647 0.551 0.357 -0.131 -0.030 -0.075 103 GLY AAA O   
803  N N   . ARG A 104 ? 0.632 0.518 0.354 -0.114 -0.021 -0.065 104 ARG AAA N   
804  C CA  . ARG A 104 ? 0.642 0.529 0.363 -0.101 -0.020 -0.062 104 ARG AAA CA  
805  C C   . ARG A 104 ? 0.614 0.508 0.349 -0.092 -0.017 -0.055 104 ARG AAA C   
806  O O   . ARG A 104 ? 0.592 0.482 0.333 -0.094 -0.015 -0.054 104 ARG AAA O   
807  C CB  . ARG A 104 ? 0.664 0.525 0.365 -0.096 -0.017 -0.067 104 ARG AAA CB  
808  C CG  . ARG A 104 ? 0.674 0.516 0.372 -0.092 -0.015 -0.065 104 ARG AAA CG  
809  C CD  . ARG A 104 ? 0.721 0.534 0.398 -0.083 -0.012 -0.069 104 ARG AAA CD  
810  N NE  . ARG A 104 ? 0.769 0.562 0.440 -0.075 -0.010 -0.065 104 ARG AAA NE  
811  C CZ  . ARG A 104 ? 0.745 0.553 0.428 -0.062 -0.010 -0.059 104 ARG AAA CZ  
812  N NH1 . ARG A 104 ? 0.722 0.562 0.423 -0.058 -0.009 -0.057 104 ARG AAA NH1 
813  N NH2 . ARG A 104 ? 0.751 0.541 0.425 -0.053 -0.011 -0.054 104 ARG AAA NH2 
814  N N   . ASP A 105 ? 0.598 0.501 0.336 -0.086 -0.016 -0.051 105 ASP AAA N   
815  C CA  . ASP A 105 ? 0.606 0.512 0.354 -0.082 -0.011 -0.045 105 ASP AAA CA  
816  C C   . ASP A 105 ? 0.616 0.524 0.357 -0.078 -0.008 -0.041 105 ASP AAA C   
817  O O   . ASP A 105 ? 0.607 0.518 0.338 -0.076 -0.011 -0.040 105 ASP AAA O   
818  C CB  . ASP A 105 ? 0.633 0.543 0.391 -0.081 -0.011 -0.042 105 ASP AAA CB  
819  C CG  . ASP A 105 ? 0.644 0.547 0.408 -0.083 -0.005 -0.041 105 ASP AAA CG  
820  O OD1 . ASP A 105 ? 0.605 0.507 0.366 -0.085 -0.002 -0.041 105 ASP AAA OD1 
821  O OD2 . ASP A 105 ? 0.664 0.567 0.436 -0.082 -0.002 -0.041 105 ASP AAA OD2 
822  N N   . THR A 106 ? 0.581 0.490 0.325 -0.078 -0.002 -0.040 106 THR AAA N   
823  C CA  . THR A 106 ? 0.608 0.523 0.347 -0.078 0.003  -0.036 106 THR AAA CA  
824  C C   . THR A 106 ? 0.622 0.529 0.359 -0.082 0.006  -0.028 106 THR AAA C   
825  O O   . THR A 106 ? 0.635 0.542 0.361 -0.084 0.010  -0.022 106 THR AAA O   
826  C CB  . THR A 106 ? 0.626 0.554 0.371 -0.081 0.008  -0.038 106 THR AAA CB  
827  O OG1 . THR A 106 ? 0.601 0.528 0.356 -0.086 0.007  -0.039 106 THR AAA OG1 
828  C CG2 . THR A 106 ? 0.699 0.634 0.443 -0.071 0.007  -0.044 106 THR AAA CG2 
829  N N   . TRP A 107 ? 0.581 0.477 0.323 -0.082 0.005  -0.027 107 TRP AAA N   
830  C CA  . TRP A 107 ? 0.583 0.462 0.321 -0.081 0.009  -0.019 107 TRP AAA CA  
831  C C   . TRP A 107 ? 0.614 0.493 0.347 -0.069 0.003  -0.012 107 TRP AAA C   
832  O O   . TRP A 107 ? 0.581 0.471 0.324 -0.063 -0.004 -0.015 107 TRP AAA O   
833  C CB  . TRP A 107 ? 0.580 0.447 0.326 -0.084 0.012  -0.023 107 TRP AAA CB  
834  C CG  . TRP A 107 ? 0.567 0.438 0.315 -0.097 0.017  -0.029 107 TRP AAA CG  
835  C CD1 . TRP A 107 ? 0.566 0.453 0.322 -0.100 0.014  -0.036 107 TRP AAA CD1 
836  C CD2 . TRP A 107 ? 0.582 0.443 0.322 -0.111 0.025  -0.028 107 TRP AAA CD2 
837  N NE1 . TRP A 107 ? 0.574 0.470 0.332 -0.113 0.018  -0.039 107 TRP AAA NE1 
838  C CE2 . TRP A 107 ? 0.568 0.450 0.316 -0.121 0.025  -0.035 107 TRP AAA CE2 
839  C CE3 . TRP A 107 ? 0.609 0.444 0.333 -0.116 0.033  -0.021 107 TRP AAA CE3 
840  C CZ2 . TRP A 107 ? 0.588 0.474 0.332 -0.140 0.032  -0.037 107 TRP AAA CZ2 
841  C CZ3 . TRP A 107 ? 0.639 0.470 0.356 -0.136 0.041  -0.023 107 TRP AAA CZ3 
842  C CH2 . TRP A 107 ? 0.623 0.483 0.352 -0.149 0.040  -0.032 107 TRP AAA CH2 
843  N N   . PRO A 108 ? 0.638 0.506 0.354 -0.066 0.004  -0.002 108 PRO AAA N   
844  C CA  . PRO A 108 ? 0.694 0.564 0.403 -0.053 -0.003 0.008  108 PRO AAA CA  
845  C C   . PRO A 108 ? 0.710 0.573 0.429 -0.040 -0.004 0.011  108 PRO AAA C   
846  O O   . PRO A 108 ? 0.694 0.579 0.420 -0.029 -0.013 0.013  108 PRO AAA O   
847  C CB  . PRO A 108 ? 0.717 0.567 0.402 -0.055 0.003  0.022  108 PRO AAA CB  
848  C CG  . PRO A 108 ? 0.704 0.559 0.386 -0.071 0.011  0.014  108 PRO AAA CG  
849  C CD  . PRO A 108 ? 0.661 0.520 0.364 -0.077 0.013  0.002  108 PRO AAA CD  
850  N N   . SER A 109 ? 0.742 0.577 0.461 -0.043 0.006  0.010  109 SER AAA N   
851  C CA  . SER A 109 ? 0.786 0.607 0.512 -0.029 0.009  0.010  109 SER AAA CA  
852  C C   . SER A 109 ? 0.719 0.574 0.470 -0.026 0.003  -0.001 109 SER AAA C   
853  O O   . SER A 109 ? 0.723 0.580 0.483 -0.012 0.005  -0.001 109 SER AAA O   
854  C CB  . SER A 109 ? 0.853 0.636 0.570 -0.039 0.022  0.007  109 SER AAA CB  
855  O OG  . SER A 109 ? 0.874 0.668 0.597 -0.060 0.024  -0.005 109 SER AAA OG  
856  N N   . SER A 110 ? 0.666 0.544 0.424 -0.040 -0.001 -0.010 110 SER AAA N   
857  C CA  . SER A 110 ? 0.647 0.553 0.422 -0.043 -0.005 -0.019 110 SER AAA CA  
858  C C   . SER A 110 ? 0.639 0.578 0.420 -0.036 -0.016 -0.017 110 SER AAA C   
859  O O   . SER A 110 ? 0.617 0.581 0.412 -0.040 -0.019 -0.024 110 SER AAA O   
860  C CB  . SER A 110 ? 0.635 0.543 0.410 -0.059 -0.005 -0.028 110 SER AAA CB  
861  O OG  . SER A 110 ? 0.657 0.547 0.430 -0.066 0.003  -0.032 110 SER AAA OG  
862  N N   . TYR A 111 ? 0.645 0.586 0.415 -0.029 -0.022 -0.007 111 TYR AAA N   
863  C CA  . TYR A 111 ? 0.633 0.609 0.405 -0.024 -0.034 -0.004 111 TYR AAA CA  
864  C C   . TYR A 111 ? 0.656 0.640 0.431 -0.000 -0.038 0.010  111 TYR AAA C   
865  O O   . TYR A 111 ? 0.709 0.661 0.465 0.010  -0.034 0.022  111 TYR AAA O   
866  C CB  . TYR A 111 ? 0.636 0.610 0.387 -0.035 -0.038 -0.004 111 TYR AAA CB  
867  C CG  . TYR A 111 ? 0.617 0.588 0.367 -0.053 -0.036 -0.018 111 TYR AAA CG  
868  C CD1 . TYR A 111 ? 0.609 0.602 0.361 -0.064 -0.043 -0.027 111 TYR AAA CD1 
869  C CD2 . TYR A 111 ? 0.622 0.567 0.367 -0.059 -0.027 -0.021 111 TYR AAA CD2 
870  C CE1 . TYR A 111 ? 0.630 0.609 0.374 -0.079 -0.040 -0.039 111 TYR AAA CE1 
871  C CE2 . TYR A 111 ? 0.603 0.543 0.344 -0.070 -0.026 -0.031 111 TYR AAA CE2 
872  C CZ  . TYR A 111 ? 0.602 0.553 0.341 -0.079 -0.031 -0.040 111 TYR AAA CZ  
873  O OH  . TYR A 111 ? 0.603 0.539 0.334 -0.087 -0.029 -0.049 111 TYR AAA OH  
874  N N   . ASP A 112 ? 0.662 0.686 0.458 0.010  -0.044 0.008  112 ASP AAA N   
875  C CA  . ASP A 112 ? 0.704 0.742 0.507 0.039  -0.048 0.022  112 ASP AAA CA  
876  C C   . ASP A 112 ? 0.723 0.795 0.517 0.046  -0.064 0.033  112 ASP AAA C   
877  O O   . ASP A 112 ? 0.757 0.836 0.551 0.074  -0.068 0.048  112 ASP AAA O   
878  C CB  . ASP A 112 ? 0.747 0.821 0.580 0.050  -0.046 0.014  112 ASP AAA CB  
879  C CG  . ASP A 112 ? 0.773 0.817 0.612 0.045  -0.030 0.004  112 ASP AAA CG  
880  O OD1 . ASP A 112 ? 0.781 0.770 0.601 0.043  -0.020 0.006  112 ASP AAA OD1 
881  O OD2 . ASP A 112 ? 0.815 0.893 0.678 0.042  -0.027 -0.007 112 ASP AAA OD2 
882  N N   . TYR A 113 ? 0.696 0.786 0.480 0.024  -0.072 0.025  113 TYR AAA N   
883  C CA  . TYR A 113 ? 0.726 0.856 0.501 0.026  -0.088 0.033  113 TYR AAA CA  
884  C C   . TYR A 113 ? 0.712 0.814 0.453 0.010  -0.088 0.033  113 TYR AAA C   
885  O O   . TYR A 113 ? 0.709 0.791 0.445 -0.012 -0.081 0.019  113 TYR AAA O   
886  C CB  . TYR A 113 ? 0.728 0.921 0.524 0.011  -0.099 0.019  113 TYR AAA CB  
887  C CG  . TYR A 113 ? 0.762 0.990 0.593 0.022  -0.096 0.016  113 TYR AAA CG  
888  C CD1 . TYR A 113 ? 0.790 1.054 0.638 0.054  -0.103 0.029  113 TYR AAA CD1 
889  C CD2 . TYR A 113 ? 0.779 1.004 0.625 0.002  -0.086 -0.001 113 TYR AAA CD2 
890  C CE1 . TYR A 113 ? 0.803 1.103 0.686 0.067  -0.098 0.024  113 TYR AAA CE1 
891  C CE2 . TYR A 113 ? 0.795 1.055 0.673 0.011  -0.082 -0.005 113 TYR AAA CE2 
892  C CZ  . TYR A 113 ? 0.795 1.094 0.692 0.044  -0.087 0.007  113 TYR AAA CZ  
893  O OH  . TYR A 113 ? 0.808 1.145 0.737 0.054  -0.081 0.001  113 TYR AAA OH  
894  N N   . TRP A 114 ? 0.747 0.848 0.466 0.024  -0.095 0.050  114 TRP AAA N   
895  C CA  . TRP A 114 ? 0.782 0.853 0.465 0.013  -0.093 0.055  114 TRP AAA CA  
896  C C   . TRP A 114 ? 0.800 0.910 0.464 0.016  -0.110 0.064  114 TRP AAA C   
897  O O   . TRP A 114 ? 0.792 0.928 0.461 0.040  -0.121 0.080  114 TRP AAA O   
898  C CB  . TRP A 114 ? 0.813 0.830 0.478 0.025  -0.080 0.070  114 TRP AAA CB  
899  C CG  . TRP A 114 ? 0.772 0.754 0.451 0.016  -0.064 0.059  114 TRP AAA CG  
900  C CD1 . TRP A 114 ? 0.752 0.723 0.453 0.025  -0.058 0.057  114 TRP AAA CD1 
901  C CD2 . TRP A 114 ? 0.769 0.728 0.439 -0.006 -0.053 0.048  114 TRP AAA CD2 
902  N NE1 . TRP A 114 ? 0.747 0.689 0.452 0.009  -0.045 0.045  114 TRP AAA NE1 
903  C CE2 . TRP A 114 ? 0.742 0.679 0.430 -0.009 -0.042 0.040  114 TRP AAA CE2 
904  C CE3 . TRP A 114 ? 0.775 0.733 0.424 -0.021 -0.051 0.043  114 TRP AAA CE3 
905  C CZ2 . TRP A 114 ? 0.731 0.649 0.418 -0.026 -0.031 0.029  114 TRP AAA CZ2 
906  C CZ3 . TRP A 114 ? 0.761 0.701 0.411 -0.036 -0.039 0.031  114 TRP AAA CZ3 
907  C CH2 . TRP A 114 ? 0.737 0.660 0.407 -0.038 -0.030 0.025  114 TRP AAA CH2 
908  N N   . GLY A 115 ? 0.819 0.930 0.459 -0.005 -0.111 0.053  115 GLY AAA N   
909  C CA  . GLY A 115 ? 0.872 1.007 0.481 -0.006 -0.124 0.063  115 GLY AAA CA  
910  C C   . GLY A 115 ? 0.911 1.005 0.487 0.006  -0.117 0.084  115 GLY AAA C   
911  O O   . GLY A 115 ? 0.857 0.904 0.435 0.007  -0.100 0.087  115 GLY AAA O   
912  N N   . GLN A 116 ? 0.981 1.094 0.528 0.014  -0.129 0.100  116 GLN AAA N   
913  C CA  . GLN A 116 ? 1.075 1.150 0.580 0.016  -0.122 0.119  116 GLN AAA CA  
914  C C   . GLN A 116 ? 1.072 1.135 0.559 -0.012 -0.109 0.098  116 GLN AAA C   
915  O O   . GLN A 116 ? 1.141 1.235 0.632 -0.029 -0.116 0.077  116 GLN AAA O   
916  C CB  . GLN A 116 ? 1.192 1.296 0.668 0.032  -0.141 0.142  116 GLN AAA CB  
917  C CG  . GLN A 116 ? 1.263 1.397 0.765 0.063  -0.156 0.157  116 GLN AAA CG  
918  C CD  . GLN A 116 ? 1.398 1.552 0.870 0.087  -0.174 0.187  116 GLN AAA CD  
919  O OE1 . GLN A 116 ? 1.463 1.644 0.902 0.076  -0.185 0.190  116 GLN AAA OE1 
920  N NE2 . GLN A 116 ? 1.434 1.575 0.916 0.123  -0.178 0.210  116 GLN AAA NE2 
921  N N   . GLY A 117 ? 1.049 1.068 0.517 -0.018 -0.091 0.103  117 GLY AAA N   
922  C CA  . GLY A 117 ? 1.047 1.058 0.502 -0.041 -0.077 0.083  117 GLY AAA CA  
923  C C   . GLY A 117 ? 1.090 1.127 0.509 -0.052 -0.085 0.078  117 GLY AAA C   
924  O O   . GLY A 117 ? 1.097 1.154 0.494 -0.043 -0.100 0.096  117 GLY AAA O   
925  N N   . THR A 118 ? 1.081 1.120 0.493 -0.070 -0.075 0.053  118 THR AAA N   
926  C CA  . THR A 118 ? 1.110 1.163 0.480 -0.083 -0.074 0.045  118 THR AAA CA  
927  C C   . THR A 118 ? 1.103 1.129 0.459 -0.091 -0.050 0.041  118 THR AAA C   
928  O O   . THR A 118 ? 1.032 1.042 0.417 -0.092 -0.036 0.028  118 THR AAA O   
929  C CB  . THR A 118 ? 1.126 1.204 0.496 -0.097 -0.084 0.018  118 THR AAA CB  
930  O OG1 . THR A 118 ? 1.160 1.252 0.483 -0.109 -0.085 0.011  118 THR AAA OG1 
931  C CG2 . THR A 118 ? 1.092 1.151 0.485 -0.105 -0.070 -0.009 118 THR AAA CG2 
932  N N   . GLN A 119 ? 1.115 1.141 0.429 -0.095 -0.045 0.053  119 GLN AAA N   
933  C CA  . GLN A 119 ? 1.131 1.142 0.428 -0.105 -0.021 0.050  119 GLN AAA CA  
934  C C   . GLN A 119 ? 1.108 1.131 0.398 -0.115 -0.010 0.018  119 GLN AAA C   
935  O O   . GLN A 119 ? 1.126 1.167 0.387 -0.122 -0.020 0.007  119 GLN AAA O   
936  C CB  . GLN A 119 ? 1.202 1.210 0.450 -0.108 -0.019 0.075  119 GLN AAA CB  
937  C CG  . GLN A 119 ? 1.223 1.223 0.452 -0.122 0.007  0.073  119 GLN AAA CG  
938  C CD  . GLN A 119 ? 1.170 1.149 0.434 -0.122 0.023  0.076  119 GLN AAA CD  
939  O OE1 . GLN A 119 ? 1.212 1.165 0.480 -0.118 0.021  0.099  119 GLN AAA OE1 
940  N NE2 . GLN A 119 ? 1.143 1.133 0.431 -0.127 0.039  0.051  119 GLN AAA NE2 
941  N N   . VAL A 120 ? 1.050 1.063 0.364 -0.116 0.009  0.003  120 VAL AAA N   
942  C CA  . VAL A 120 ? 1.076 1.095 0.379 -0.121 0.025  -0.026 120 VAL AAA CA  
943  C C   . VAL A 120 ? 1.091 1.114 0.385 -0.125 0.049  -0.023 120 VAL AAA C   
944  O O   . VAL A 120 ? 1.014 1.032 0.338 -0.123 0.059  -0.015 120 VAL AAA O   
945  C CB  . VAL A 120 ? 1.061 1.069 0.402 -0.114 0.027  -0.048 120 VAL AAA CB  
946  C CG1 . VAL A 120 ? 1.070 1.078 0.402 -0.112 0.046  -0.074 120 VAL AAA CG1 
947  C CG2 . VAL A 120 ? 1.070 1.077 0.416 -0.115 0.005  -0.054 120 VAL AAA CG2 
948  N N   . THR A 121 ? 1.130 1.165 0.381 -0.133 0.059  -0.029 121 THR AAA N   
949  C CA  . THR A 121 ? 1.183 1.231 0.422 -0.139 0.085  -0.029 121 THR AAA CA  
950  C C   . THR A 121 ? 1.196 1.256 0.425 -0.136 0.102  -0.062 121 THR AAA C   
951  O O   . THR A 121 ? 1.233 1.291 0.427 -0.139 0.094  -0.076 121 THR AAA O   
952  C CB  . THR A 121 ? 1.236 1.287 0.430 -0.152 0.086  -0.004 121 THR AAA CB  
953  O OG1 . THR A 121 ? 1.248 1.279 0.454 -0.150 0.070  0.025  121 THR AAA OG1 
954  C CG2 . THR A 121 ? 1.263 1.330 0.446 -0.163 0.114  -0.002 121 THR AAA CG2 
955  N N   . VAL A 122 ? 1.190 1.263 0.447 -0.130 0.123  -0.074 122 VAL AAA N   
956  C CA  . VAL A 122 ? 1.235 1.319 0.487 -0.120 0.143  -0.105 122 VAL AAA CA  
957  C C   . VAL A 122 ? 1.264 1.382 0.511 -0.126 0.169  -0.103 122 VAL AAA C   
958  O O   . VAL A 122 ? 1.255 1.391 0.541 -0.124 0.179  -0.095 122 VAL AAA O   
959  C CB  . VAL A 122 ? 1.218 1.290 0.515 -0.101 0.142  -0.122 122 VAL AAA CB  
960  C CG1 . VAL A 122 ? 1.270 1.343 0.556 -0.086 0.161  -0.153 122 VAL AAA CG1 
961  C CG2 . VAL A 122 ? 1.201 1.242 0.508 -0.099 0.117  -0.119 122 VAL AAA CG2 
962  N N   . SER A 123 ? 1.315 1.445 0.513 -0.135 0.182  -0.109 123 SER AAA N   
963  C CA  . SER A 123 ? 1.354 1.523 0.542 -0.142 0.211  -0.111 123 SER AAA CA  
964  C C   . SER A 123 ? 1.410 1.586 0.545 -0.144 0.224  -0.134 123 SER AAA C   
965  O O   . SER A 123 ? 1.389 1.537 0.496 -0.142 0.209  -0.146 123 SER AAA O   
966  C CB  . SER A 123 ? 1.368 1.544 0.545 -0.165 0.212  -0.078 123 SER AAA CB  
967  O OG  . SER A 123 ? 1.409 1.574 0.526 -0.180 0.205  -0.065 123 SER AAA OG  
968  N N   . SER A 124 ? 1.455 1.669 0.578 -0.148 0.253  -0.141 124 SER AAA N   
969  C CA  . SER A 124 ? 1.519 1.745 0.589 -0.150 0.272  -0.164 124 SER AAA CA  
970  C C   . SER A 124 ? 1.557 1.797 0.574 -0.178 0.277  -0.142 124 SER AAA C   
971  O O   . SER A 124 ? 1.545 1.779 0.562 -0.195 0.266  -0.108 124 SER AAA O   
972  C CB  . SER A 124 ? 1.545 1.807 0.641 -0.130 0.304  -0.192 124 SER AAA CB  
973  O OG  . SER A 124 ? 1.513 1.811 0.664 -0.129 0.313  -0.178 124 SER AAA OG  
974  N N   . ASN B 4   ? 0.974 0.759 1.094 -0.016 0.108  0.072  334 ASN EEE N   
975  C CA  . ASN B 4   ? 0.940 0.750 1.020 -0.009 0.090  0.088  334 ASN EEE CA  
976  C C   . ASN B 4   ? 0.833 0.677 0.900 -0.011 0.081  0.061  334 ASN EEE C   
977  O O   . ASN B 4   ? 0.767 0.627 0.837 -0.022 0.085  0.051  334 ASN EEE O   
978  C CB  . ASN B 4   ? 1.027 0.822 1.073 -0.020 0.101  0.110  334 ASN EEE CB  
979  C CG  . ASN B 4   ? 1.099 0.902 1.085 -0.022 0.091  0.119  334 ASN EEE CG  
980  O OD1 . ASN B 4   ? 1.141 0.966 1.120 -0.011 0.068  0.117  334 ASN EEE OD1 
981  N ND2 . ASN B 4   ? 1.147 0.929 1.092 -0.038 0.114  0.127  334 ASN EEE ND2 
982  N N   . LEU B 5   ? 0.785 0.638 0.850 -0.000 0.070  0.052  335 LEU EEE N   
983  C CA  . LEU B 5   ? 0.787 0.663 0.836 -0.004 0.060  0.028  335 LEU EEE CA  
984  C C   . LEU B 5   ? 0.729 0.634 0.756 0.001  0.050  0.037  335 LEU EEE C   
985  O O   . LEU B 5   ? 0.704 0.607 0.715 0.009  0.044  0.057  335 LEU EEE O   
986  C CB  . LEU B 5   ? 0.825 0.688 0.875 0.002  0.066  0.013  335 LEU EEE CB  
987  C CG  . LEU B 5   ? 0.942 0.770 0.977 -0.018 0.078  -0.016 335 LEU EEE CG  
988  C CD1 . LEU B 5   ? 0.965 0.762 1.027 -0.026 0.095  -0.016 335 LEU EEE CD1 
989  C CD2 . LEU B 5   ? 1.013 0.813 1.035 -0.016 0.099  -0.035 335 LEU EEE CD2 
990  N N   . CYS B 6   ? 0.668 0.595 0.697 -0.006 0.045  0.024  336 CYS EEE N   
991  C CA  . CYS B 6   ? 0.652 0.601 0.670 -0.002 0.044  0.027  336 CYS EEE CA  
992  C C   . CYS B 6   ? 0.646 0.600 0.639 0.010  0.033  0.029  336 CYS EEE C   
993  O O   . CYS B 6   ? 0.591 0.541 0.588 0.014  0.028  0.020  336 CYS EEE O   
994  C CB  . CYS B 6   ? 0.634 0.607 0.687 -0.010 0.037  0.018  336 CYS EEE CB  
995  S SG  . CYS B 6   ? 0.656 0.631 0.773 -0.025 0.051  0.022  336 CYS EEE SG  
996  N N   . PRO B 7   ? 0.629 0.585 0.594 0.011  0.033  0.039  337 PRO EEE N   
997  C CA  . PRO B 7   ? 0.623 0.586 0.575 0.019  0.018  0.043  337 PRO EEE CA  
998  C C   . PRO B 7   ? 0.597 0.582 0.554 0.023  0.016  0.026  337 PRO EEE C   
999  O O   . PRO B 7   ? 0.575 0.566 0.513 0.022  0.015  0.026  337 PRO EEE O   
1000 C CB  . PRO B 7   ? 0.654 0.597 0.556 0.008  0.013  0.059  337 PRO EEE CB  
1001 C CG  . PRO B 7   ? 0.687 0.616 0.571 -0.005 0.044  0.052  337 PRO EEE CG  
1002 C CD  . PRO B 7   ? 0.664 0.605 0.603 -0.001 0.053  0.044  337 PRO EEE CD  
1003 N N   . PHE B 8   ? 0.585 0.574 0.559 0.023  0.015  0.014  338 PHE EEE N   
1004 C CA  . PHE B 8   ? 0.576 0.580 0.550 0.024  0.009  0.005  338 PHE EEE CA  
1005 C C   . PHE B 8   ? 0.587 0.593 0.553 0.034  0.009  0.004  338 PHE EEE C   
1006 O O   . PHE B 8   ? 0.644 0.662 0.606 0.035  0.007  0.000  338 PHE EEE O   
1007 C CB  . PHE B 8   ? 0.601 0.593 0.570 0.013  -0.000 -0.004 338 PHE EEE CB  
1008 C CG  . PHE B 8   ? 0.620 0.621 0.619 0.001  -0.011 0.001  338 PHE EEE CG  
1009 C CD1 . PHE B 8   ? 0.604 0.629 0.643 0.004  -0.010 0.010  338 PHE EEE CD1 
1010 C CD2 . PHE B 8   ? 0.682 0.665 0.681 -0.014 -0.019 -0.003 338 PHE EEE CD2 
1011 C CE1 . PHE B 8   ? 0.615 0.653 0.713 -0.006 -0.017 0.018  338 PHE EEE CE1 
1012 C CE2 . PHE B 8   ? 0.691 0.687 0.738 -0.027 -0.034 0.005  338 PHE EEE CE2 
1013 C CZ  . PHE B 8   ? 0.657 0.683 0.762 -0.021 -0.033 0.017  338 PHE EEE CZ  
1014 N N   . GLY B 9   ? 0.559 0.555 0.537 0.039  0.011  0.009  339 GLY EEE N   
1015 C CA  . GLY B 9   ? 0.568 0.569 0.567 0.048  0.009  0.012  339 GLY EEE CA  
1016 C C   . GLY B 9   ? 0.577 0.595 0.563 0.046  -0.005 0.018  339 GLY EEE C   
1017 O O   . GLY B 9   ? 0.614 0.641 0.609 0.049  -0.003 0.012  339 GLY EEE O   
1018 N N   . GLU B 10  ? 0.589 0.601 0.545 0.036  -0.013 0.027  340 GLU EEE N   
1019 C CA  . GLU B 10  ? 0.619 0.629 0.539 0.025  -0.020 0.027  340 GLU EEE CA  
1020 C C   . GLU B 10  ? 0.567 0.587 0.488 0.027  -0.002 0.009  340 GLU EEE C   
1021 O O   . GLU B 10  ? 0.558 0.578 0.465 0.021  -0.004 0.004  340 GLU EEE O   
1022 C CB  . GLU B 10  ? 0.687 0.669 0.554 0.007  -0.015 0.034  340 GLU EEE CB  
1023 C CG  . GLU B 10  ? 0.774 0.739 0.627 -0.000 -0.043 0.061  340 GLU EEE CG  
1024 C CD  . GLU B 10  ? 0.899 0.821 0.675 -0.023 -0.037 0.071  340 GLU EEE CD  
1025 O OE1 . GLU B 10  ? 1.005 0.908 0.774 -0.028 -0.057 0.096  340 GLU EEE OE1 
1026 O OE2 . GLU B 10  ? 0.897 0.798 0.623 -0.038 -0.007 0.053  340 GLU EEE OE2 
1027 N N   . VAL B 11  ? 0.533 0.561 0.474 0.032  0.011  0.003  341 VAL EEE N   
1028 C CA  . VAL B 11  ? 0.530 0.567 0.487 0.034  0.021  -0.005 341 VAL EEE CA  
1029 C C   . VAL B 11  ? 0.509 0.553 0.474 0.041  0.013  -0.007 341 VAL EEE C   
1030 O O   . VAL B 11  ? 0.496 0.544 0.464 0.043  0.017  -0.010 341 VAL EEE O   
1031 C CB  . VAL B 11  ? 0.558 0.600 0.546 0.032  0.028  -0.002 341 VAL EEE CB  
1032 C CG1 . VAL B 11  ? 0.576 0.630 0.602 0.036  0.030  -0.000 341 VAL EEE CG1 
1033 C CG2 . VAL B 11  ? 0.590 0.618 0.573 0.023  0.051  -0.003 341 VAL EEE CG2 
1034 N N   . PHE B 12  ? 0.498 0.533 0.459 0.042  0.009  -0.006 342 PHE EEE N   
1035 C CA  . PHE B 12  ? 0.506 0.528 0.454 0.042  0.012  -0.011 342 PHE EEE CA  
1036 C C   . PHE B 12  ? 0.505 0.528 0.470 0.048  0.024  -0.014 342 PHE EEE C   
1037 O O   . PHE B 12  ? 0.517 0.532 0.475 0.048  0.033  -0.018 342 PHE EEE O   
1038 C CB  . PHE B 12  ? 0.524 0.519 0.445 0.032  0.013  -0.015 342 PHE EEE CB  
1039 C CG  . PHE B 12  ? 0.538 0.532 0.452 0.020  -0.009 -0.008 342 PHE EEE CG  
1040 C CD1 . PHE B 12  ? 0.555 0.546 0.459 0.011  -0.027 0.002  342 PHE EEE CD1 
1041 C CD2 . PHE B 12  ? 0.575 0.573 0.505 0.015  -0.015 -0.006 342 PHE EEE CD2 
1042 C CE1 . PHE B 12  ? 0.569 0.565 0.490 -0.002 -0.058 0.016  342 PHE EEE CE1 
1043 C CE2 . PHE B 12  ? 0.563 0.566 0.510 0.003  -0.038 0.003  342 PHE EEE CE2 
1044 C CZ  . PHE B 12  ? 0.565 0.569 0.512 -0.006 -0.063 0.015  342 PHE EEE CZ  
1045 N N   . ASN B 13  ? 0.518 0.548 0.508 0.052  0.019  -0.009 343 ASN EEE N   
1046 C CA  . ASN B 13  ? 0.537 0.571 0.572 0.058  0.024  -0.006 343 ASN EEE CA  
1047 C C   . ASN B 13  ? 0.511 0.565 0.559 0.054  0.001  0.002  343 ASN EEE C   
1048 O O   . ASN B 13  ? 0.511 0.573 0.611 0.055  -0.009 0.010  343 ASN EEE O   
1049 C CB  . ASN B 13  ? 0.607 0.630 0.682 0.063  0.031  -0.000 343 ASN EEE CB  
1050 C CG  . ASN B 13  ? 0.701 0.688 0.761 0.061  0.068  -0.016 343 ASN EEE CG  
1051 O OD1 . ASN B 13  ? 0.657 0.628 0.683 0.055  0.086  -0.028 343 ASN EEE OD1 
1052 N ND2 . ASN B 13  ? 0.851 0.817 0.925 0.061  0.081  -0.017 343 ASN EEE ND2 
1053 N N   . ALA B 14  ? 0.506 0.560 0.512 0.045  -0.006 -0.002 344 ALA EEE N   
1054 C CA  . ALA B 14  ? 0.530 0.585 0.521 0.032  -0.022 -0.002 344 ALA EEE CA  
1055 C C   . ALA B 14  ? 0.535 0.601 0.566 0.034  -0.021 -0.006 344 ALA EEE C   
1056 O O   . ALA B 14  ? 0.527 0.593 0.570 0.043  0.004  -0.014 344 ALA EEE O   
1057 C CB  . ALA B 14  ? 0.563 0.605 0.507 0.023  -0.007 -0.013 344 ALA EEE CB  
1058 N N   . THR B 15  ? 0.547 0.618 0.598 0.021  -0.049 0.003  345 THR EEE N   
1059 C CA  . THR B 15  ? 0.571 0.655 0.680 0.021  -0.050 0.001  345 THR EEE CA  
1060 C C   . THR B 15  ? 0.552 0.627 0.625 0.015  -0.028 -0.019 345 THR EEE C   
1061 O O   . THR B 15  ? 0.500 0.580 0.607 0.025  -0.004 -0.025 345 THR EEE O   
1062 C CB  . THR B 15  ? 0.636 0.732 0.794 0.006  -0.097 0.022  345 THR EEE CB  
1063 O OG1 . THR B 15  ? 0.822 0.894 0.894 -0.021 -0.130 0.024  345 THR EEE OG1 
1064 C CG2 . THR B 15  ? 0.630 0.737 0.862 0.019  -0.108 0.045  345 THR EEE CG2 
1065 N N   . ARG B 16  ? 0.582 0.637 0.587 -0.000 -0.028 -0.029 346 ARG EEE N   
1066 C CA  . ARG B 16  ? 0.631 0.673 0.621 -0.002 0.003  -0.047 346 ARG EEE CA  
1067 C C   . ARG B 16  ? 0.574 0.604 0.535 0.005  0.029  -0.051 346 ARG EEE C   
1068 O O   . ARG B 16  ? 0.578 0.598 0.505 -0.000 0.025  -0.047 346 ARG EEE O   
1069 C CB  . ARG B 16  ? 0.787 0.807 0.745 -0.031 -0.008 -0.060 346 ARG EEE CB  
1070 C CG  . ARG B 16  ? 0.886 0.902 0.870 -0.029 0.021  -0.075 346 ARG EEE CG  
1071 C CD  . ARG B 16  ? 1.014 0.992 0.947 -0.064 0.022  -0.096 346 ARG EEE CD  
1072 N NE  . ARG B 16  ? 1.075 1.054 1.006 -0.091 -0.028 -0.091 346 ARG EEE NE  
1073 C CZ  . ARG B 16  ? 1.152 1.108 1.017 -0.122 -0.071 -0.084 346 ARG EEE CZ  
1074 N NH1 . ARG B 16  ? 1.168 1.094 0.954 -0.130 -0.061 -0.085 346 ARG EEE NH1 
1075 N NH2 . ARG B 16  ? 1.171 1.132 1.054 -0.148 -0.128 -0.071 346 ARG EEE NH2 
1076 N N   . PHE B 17  ? 0.447 0.486 0.423 -0.010 -0.016 -0.003 347 PHE EEE N   
1077 C CA  . PHE B 17  ? 0.401 0.431 0.355 -0.014 -0.013 -0.003 347 PHE EEE CA  
1078 C C   . PHE B 17  ? 0.393 0.425 0.337 -0.019 -0.017 -0.002 347 PHE EEE C   
1079 O O   . PHE B 17  ? 0.425 0.464 0.377 -0.020 -0.020 -0.003 347 PHE EEE O   
1080 C CB  . PHE B 17  ? 0.422 0.451 0.374 -0.016 -0.002 -0.007 347 PHE EEE CB  
1081 C CG  . PHE B 17  ? 0.407 0.428 0.357 -0.014 0.003  -0.009 347 PHE EEE CG  
1082 C CD1 . PHE B 17  ? 0.425 0.442 0.387 -0.008 0.002  -0.008 347 PHE EEE CD1 
1083 C CD2 . PHE B 17  ? 0.429 0.443 0.365 -0.018 0.007  -0.012 347 PHE EEE CD2 
1084 C CE1 . PHE B 17  ? 0.433 0.440 0.394 -0.007 0.008  -0.010 347 PHE EEE CE1 
1085 C CE2 . PHE B 17  ? 0.415 0.419 0.347 -0.018 0.012  -0.014 347 PHE EEE CE2 
1086 C CZ  . PHE B 17  ? 0.431 0.431 0.375 -0.012 0.013  -0.014 347 PHE EEE CZ  
1087 N N   . ALA B 18  ? 0.401 0.425 0.328 -0.021 -0.016 -0.001 348 ALA EEE N   
1088 C CA  . ALA B 18  ? 0.404 0.427 0.320 -0.025 -0.017 -0.002 348 ALA EEE CA  
1089 C C   . ALA B 18  ? 0.406 0.433 0.325 -0.027 -0.011 -0.005 348 ALA EEE C   
1090 O O   . ALA B 18  ? 0.369 0.397 0.291 -0.027 -0.006 -0.006 348 ALA EEE O   
1091 C CB  . ALA B 18  ? 0.421 0.436 0.323 -0.027 -0.014 -0.001 348 ALA EEE CB  
1092 N N   . SER B 19  ? 0.382 0.409 0.297 -0.030 -0.013 -0.005 349 SER EEE N   
1093 C CA  . SER B 19  ? 0.401 0.427 0.314 -0.032 -0.008 -0.007 349 SER EEE CA  
1094 C C   . SER B 19  ? 0.417 0.439 0.322 -0.031 -0.005 -0.006 349 SER EEE C   
1095 O O   . SER B 19  ? 0.397 0.417 0.297 -0.031 -0.006 -0.006 349 SER EEE O   
1096 C CB  . SER B 19  ? 0.389 0.413 0.299 -0.035 -0.009 -0.008 349 SER EEE CB  
1097 O OG  . SER B 19  ? 0.376 0.406 0.296 -0.037 -0.011 -0.009 349 SER EEE OG  
1098 N N   . VAL B 20  ? 0.384 0.407 0.289 -0.030 -0.003 -0.006 350 VAL EEE N   
1099 C CA  . VAL B 20  ? 0.369 0.391 0.271 -0.029 -0.002 -0.006 350 VAL EEE CA  
1100 C C   . VAL B 20  ? 0.357 0.378 0.258 -0.029 -0.001 -0.006 350 VAL EEE C   
1101 O O   . VAL B 20  ? 0.357 0.379 0.259 -0.029 -0.001 -0.006 350 VAL EEE O   
1102 C CB  . VAL B 20  ? 0.373 0.394 0.272 -0.029 -0.002 -0.005 350 VAL EEE CB  
1103 C CG1 . VAL B 20  ? 0.364 0.382 0.261 -0.029 -0.001 -0.003 350 VAL EEE CG1 
1104 C CG2 . VAL B 20  ? 0.382 0.405 0.281 -0.028 -0.004 -0.004 350 VAL EEE CG2 
1105 N N   . TYR B 21  ? 0.397 0.414 0.296 -0.029 -0.001 -0.006 351 TYR EEE N   
1106 C CA  . TYR B 21  ? 0.381 0.394 0.278 -0.029 0.002  -0.008 351 TYR EEE CA  
1107 C C   . TYR B 21  ? 0.373 0.384 0.265 -0.031 0.003  -0.009 351 TYR EEE C   
1108 O O   . TYR B 21  ? 0.394 0.404 0.285 -0.031 0.008  -0.010 351 TYR EEE O   
1109 C CB  . TYR B 21  ? 0.404 0.410 0.299 -0.030 0.004  -0.009 351 TYR EEE CB  
1110 C CG  . TYR B 21  ? 0.380 0.382 0.268 -0.034 0.002  -0.011 351 TYR EEE CG  
1111 C CD1 . TYR B 21  ? 0.408 0.415 0.299 -0.036 -0.002 -0.011 351 TYR EEE CD1 
1112 C CD2 . TYR B 21  ? 0.410 0.405 0.288 -0.036 0.005  -0.014 351 TYR EEE CD2 
1113 C CE1 . TYR B 21  ? 0.383 0.388 0.270 -0.040 -0.006 -0.013 351 TYR EEE CE1 
1114 C CE2 . TYR B 21  ? 0.426 0.417 0.295 -0.041 0.001  -0.016 351 TYR EEE CE2 
1115 C CZ  . TYR B 21  ? 0.412 0.410 0.287 -0.043 -0.006 -0.015 351 TYR EEE CZ  
1116 O OH  . TYR B 21  ? 0.431 0.427 0.300 -0.047 -0.013 -0.017 351 TYR EEE OH  
1117 N N   . ALA B 22  ? 0.389 0.399 0.276 -0.033 -0.001 -0.008 352 ALA EEE N   
1118 C CA  . ALA B 22  ? 0.397 0.402 0.274 -0.035 -0.002 -0.007 352 ALA EEE CA  
1119 C C   . ALA B 22  ? 0.396 0.403 0.277 -0.033 -0.004 -0.005 352 ALA EEE C   
1120 O O   . ALA B 22  ? 0.410 0.413 0.285 -0.034 -0.008 -0.003 352 ALA EEE O   
1121 C CB  . ALA B 22  ? 0.419 0.420 0.289 -0.037 -0.007 -0.008 352 ALA EEE CB  
1122 N N   . TRP B 23  ? 0.379 0.390 0.267 -0.032 -0.001 -0.005 353 TRP EEE N   
1123 C CA  . TRP B 23  ? 0.375 0.387 0.266 -0.032 -0.002 -0.004 353 TRP EEE CA  
1124 C C   . TRP B 23  ? 0.403 0.407 0.286 -0.033 -0.001 -0.002 353 TRP EEE C   
1125 O O   . TRP B 23  ? 0.412 0.410 0.286 -0.036 0.003  -0.002 353 TRP EEE O   
1126 C CB  . TRP B 23  ? 0.378 0.396 0.277 -0.032 0.000  -0.006 353 TRP EEE CB  
1127 C CG  . TRP B 23  ? 0.349 0.370 0.251 -0.033 0.004  -0.007 353 TRP EEE CG  
1128 C CD1 . TRP B 23  ? 0.366 0.390 0.272 -0.032 0.005  -0.008 353 TRP EEE CD1 
1129 C CD2 . TRP B 23  ? 0.365 0.384 0.268 -0.036 0.008  -0.008 353 TRP EEE CD2 
1130 N NE1 . TRP B 23  ? 0.366 0.393 0.280 -0.033 0.010  -0.010 353 TRP EEE NE1 
1131 C CE2 . TRP B 23  ? 0.384 0.409 0.296 -0.037 0.012  -0.010 353 TRP EEE CE2 
1132 C CE3 . TRP B 23  ? 0.373 0.387 0.273 -0.039 0.010  -0.007 353 TRP EEE CE3 
1133 C CZ2 . TRP B 23  ? 0.397 0.425 0.316 -0.040 0.018  -0.012 353 TRP EEE CZ2 
1134 C CZ3 . TRP B 23  ? 0.375 0.389 0.279 -0.044 0.015  -0.009 353 TRP EEE CZ3 
1135 C CH2 . TRP B 23  ? 0.412 0.434 0.326 -0.044 0.020  -0.011 353 TRP EEE CH2 
1136 N N   . ASN B 24  ? 0.407 0.408 0.291 -0.032 -0.003 -0.000 354 ASN EEE N   
1137 C CA  . ASN B 24  ? 0.442 0.432 0.317 -0.033 -0.004 0.003  354 ASN EEE CA  
1138 C C   . ASN B 24  ? 0.430 0.416 0.307 -0.035 0.002  0.002  354 ASN EEE C   
1139 O O   . ASN B 24  ? 0.398 0.391 0.285 -0.035 0.003  -0.002 354 ASN EEE O   
1140 C CB  . ASN B 24  ? 0.440 0.427 0.318 -0.028 -0.010 0.007  354 ASN EEE CB  
1141 C CG  . ASN B 24  ? 0.487 0.475 0.361 -0.027 -0.018 0.008  354 ASN EEE CG  
1142 O OD1 . ASN B 24  ? 0.471 0.456 0.333 -0.030 -0.018 0.008  354 ASN EEE OD1 
1143 N ND2 . ASN B 24  ? 0.497 0.492 0.385 -0.023 -0.023 0.009  354 ASN EEE ND2 
1144 N N   . ARG B 25  ? 0.411 0.386 0.278 -0.039 0.006  0.004  355 ARG EEE N   
1145 C CA  . ARG B 25  ? 0.420 0.390 0.288 -0.043 0.012  0.003  355 ARG EEE CA  
1146 C C   . ARG B 25  ? 0.484 0.435 0.340 -0.042 0.011  0.009  355 ARG EEE C   
1147 O O   . ARG B 25  ? 0.477 0.418 0.317 -0.042 0.009  0.014  355 ARG EEE O   
1148 C CB  . ARG B 25  ? 0.421 0.393 0.289 -0.049 0.020  0.001  355 ARG EEE CB  
1149 C CG  . ARG B 25  ? 0.455 0.421 0.325 -0.055 0.027  -0.000 355 ARG EEE CG  
1150 C CD  . ARG B 25  ? 0.485 0.461 0.366 -0.060 0.034  -0.005 355 ARG EEE CD  
1151 N NE  . ARG B 25  ? 0.485 0.480 0.385 -0.059 0.030  -0.009 355 ARG EEE NE  
1152 C CZ  . ARG B 25  ? 0.504 0.512 0.420 -0.062 0.033  -0.014 355 ARG EEE CZ  
1153 N NH1 . ARG B 25  ? 0.517 0.524 0.436 -0.067 0.043  -0.015 355 ARG EEE NH1 
1154 N NH2 . ARG B 25  ? 0.480 0.503 0.410 -0.060 0.026  -0.017 355 ARG EEE NH2 
1155 N N   . LYS B 26  ? 0.438 0.384 0.300 -0.041 0.012  0.008  356 LYS EEE N   
1156 C CA  . LYS B 26  ? 0.481 0.408 0.334 -0.040 0.012  0.014  356 LYS EEE CA  
1157 C C   . LYS B 26  ? 0.481 0.398 0.331 -0.048 0.021  0.012  356 LYS EEE C   
1158 O O   . LYS B 26  ? 0.460 0.386 0.323 -0.051 0.024  0.005  356 LYS EEE O   
1159 C CB  . LYS B 26  ? 0.536 0.462 0.400 -0.032 0.007  0.014  356 LYS EEE CB  
1160 C CG  . LYS B 26  ? 0.624 0.529 0.481 -0.029 0.005  0.021  356 LYS EEE CG  
1161 C CD  . LYS B 26  ? 0.794 0.695 0.644 -0.022 -0.005 0.029  356 LYS EEE CD  
1162 C CE  . LYS B 26  ? 0.913 0.790 0.753 -0.018 -0.008 0.038  356 LYS EEE CE  
1163 N NZ  . LYS B 26  ? 1.002 0.870 0.853 -0.015 -0.002 0.035  356 LYS EEE NZ  
1164 N N   . ARG B 27  ? 0.479 0.379 0.314 -0.052 0.025  0.017  357 ARG EEE N   
1165 C CA  . ARG B 27  ? 0.495 0.382 0.327 -0.061 0.035  0.016  357 ARG EEE CA  
1166 C C   . ARG B 27  ? 0.522 0.391 0.353 -0.057 0.034  0.019  357 ARG EEE C   
1167 O O   . ARG B 27  ? 0.542 0.398 0.363 -0.050 0.028  0.027  357 ARG EEE O   
1168 C CB  . ARG B 27  ? 0.529 0.403 0.342 -0.067 0.043  0.020  357 ARG EEE CB  
1169 C CG  . ARG B 27  ? 0.549 0.412 0.363 -0.078 0.055  0.019  357 ARG EEE CG  
1170 C CD  . ARG B 27  ? 0.606 0.455 0.400 -0.085 0.065  0.023  357 ARG EEE CD  
1171 N NE  . ARG B 27  ? 0.617 0.439 0.383 -0.081 0.061  0.034  357 ARG EEE NE  
1172 C CZ  . ARG B 27  ? 0.680 0.475 0.431 -0.084 0.065  0.040  357 ARG EEE CZ  
1173 N NH1 . ARG B 27  ? 0.669 0.459 0.431 -0.093 0.076  0.036  357 ARG EEE NH1 
1174 N NH2 . ARG B 27  ? 0.689 0.460 0.414 -0.079 0.058  0.052  357 ARG EEE NH2 
1175 N N   . ILE B 28  ? 0.538 0.405 0.378 -0.063 0.040  0.013  358 ILE EEE N   
1176 C CA  . ILE B 28  ? 0.562 0.409 0.401 -0.061 0.042  0.014  358 ILE EEE CA  
1177 C C   . ILE B 28  ? 0.592 0.422 0.425 -0.073 0.053  0.013  358 ILE EEE C   
1178 O O   . ILE B 28  ? 0.584 0.428 0.426 -0.083 0.058  0.005  358 ILE EEE O   
1179 C CB  . ILE B 28  ? 0.564 0.423 0.420 -0.058 0.040  0.005  358 ILE EEE CB  
1180 C CG1 . ILE B 28  ? 0.583 0.453 0.444 -0.047 0.031  0.007  358 ILE EEE CG1 
1181 C CG2 . ILE B 28  ? 0.597 0.433 0.452 -0.059 0.045  0.002  358 ILE EEE CG2 
1182 C CD1 . ILE B 28  ? 0.624 0.510 0.497 -0.045 0.030  -0.002 358 ILE EEE CD1 
1183 N N   . SER B 29  ? 0.630 0.431 0.449 -0.072 0.056  0.020  359 SER EEE N   
1184 C CA  . SER B 29  ? 0.700 0.480 0.511 -0.085 0.068  0.020  359 SER EEE CA  
1185 C C   . SER B 29  ? 0.700 0.447 0.501 -0.080 0.070  0.026  359 SER EEE C   
1186 O O   . SER B 29  ? 0.714 0.455 0.514 -0.067 0.060  0.033  359 SER EEE O   
1187 C CB  . SER B 29  ? 0.734 0.508 0.528 -0.091 0.075  0.027  359 SER EEE CB  
1188 O OG  . SER B 29  ? 0.777 0.536 0.550 -0.082 0.067  0.039  359 SER EEE OG  
1189 N N   . ASN B 30  ? 0.762 0.488 0.558 -0.091 0.081  0.025  360 ASN EEE N   
1190 C CA  . ASN B 30  ? 0.811 0.498 0.592 -0.089 0.085  0.033  360 ASN EEE CA  
1191 C C   . ASN B 30  ? 0.767 0.451 0.562 -0.077 0.079  0.030  360 ASN EEE C   
1192 O O   . ASN B 30  ? 0.772 0.438 0.559 -0.064 0.072  0.041  360 ASN EEE O   
1193 C CB  . ASN B 30  ? 0.897 0.563 0.653 -0.082 0.081  0.050  360 ASN EEE CB  
1194 C CG  . ASN B 30  ? 1.035 0.694 0.773 -0.096 0.091  0.053  360 ASN EEE CG  
1195 O OD1 . ASN B 30  ? 1.151 0.795 0.887 -0.110 0.105  0.050  360 ASN EEE OD1 
1196 N ND2 . ASN B 30  ? 1.137 0.805 0.862 -0.093 0.086  0.059  360 ASN EEE ND2 
1197 N N   . CYS B 31  ? 0.727 0.427 0.539 -0.081 0.080  0.016  361 CYS EEE N   
1198 C CA  . CYS B 31  ? 0.723 0.421 0.547 -0.070 0.077  0.011  361 CYS EEE CA  
1199 C C   . CYS B 31  ? 0.759 0.466 0.594 -0.080 0.083  -0.005 361 CYS EEE C   
1200 O O   . CYS B 31  ? 0.729 0.452 0.567 -0.094 0.085  -0.012 361 CYS EEE O   
1201 C CB  . CYS B 31  ? 0.687 0.409 0.519 -0.056 0.065  0.014  361 CYS EEE CB  
1202 S SG  . CYS B 31  ? 0.678 0.442 0.518 -0.062 0.060  0.007  361 CYS EEE SG  
1203 N N   . VAL B 32  ? 0.755 0.453 0.597 -0.074 0.084  -0.011 362 VAL EEE N   
1204 C CA  . VAL B 32  ? 0.777 0.481 0.624 -0.083 0.088  -0.028 362 VAL EEE CA  
1205 C C   . VAL B 32  ? 0.724 0.456 0.580 -0.075 0.081  -0.033 362 VAL EEE C   
1206 O O   . VAL B 32  ? 0.763 0.495 0.625 -0.061 0.078  -0.028 362 VAL EEE O   
1207 C CB  . VAL B 32  ? 0.826 0.495 0.670 -0.083 0.098  -0.033 362 VAL EEE CB  
1208 C CG1 . VAL B 32  ? 0.850 0.523 0.696 -0.094 0.102  -0.051 362 VAL EEE CG1 
1209 C CG2 . VAL B 32  ? 0.874 0.514 0.708 -0.092 0.106  -0.026 362 VAL EEE CG2 
1210 N N   . ALA B 33  ? 0.685 0.441 0.544 -0.085 0.078  -0.042 363 ALA EEE N   
1211 C CA  . ALA B 33  ? 0.714 0.497 0.578 -0.081 0.071  -0.047 363 ALA EEE CA  
1212 C C   . ALA B 33  ? 0.737 0.516 0.598 -0.087 0.075  -0.061 363 ALA EEE C   
1213 O O   . ALA B 33  ? 0.794 0.570 0.651 -0.102 0.077  -0.070 363 ALA EEE O   
1214 C CB  . ALA B 33  ? 0.688 0.499 0.555 -0.087 0.064  -0.045 363 ALA EEE CB  
1215 N N   . ASP B 34  ? 0.753 0.529 0.615 -0.078 0.078  -0.066 364 ASP EEE N   
1216 C CA  . ASP B 34  ? 0.751 0.521 0.604 -0.086 0.083  -0.081 364 ASP EEE CA  
1217 C C   . ASP B 34  ? 0.698 0.495 0.549 -0.087 0.075  -0.084 364 ASP EEE C   
1218 O O   . ASP B 34  ? 0.707 0.509 0.559 -0.077 0.077  -0.084 364 ASP EEE O   
1219 C CB  . ASP B 34  ? 0.830 0.573 0.682 -0.079 0.094  -0.086 364 ASP EEE CB  
1220 C CG  . ASP B 34  ? 0.913 0.642 0.750 -0.091 0.101  -0.103 364 ASP EEE CG  
1221 O OD1 . ASP B 34  ? 0.831 0.577 0.658 -0.102 0.094  -0.110 364 ASP EEE OD1 
1222 O OD2 . ASP B 34  ? 1.022 0.722 0.856 -0.090 0.113  -0.110 364 ASP EEE OD2 
1223 N N   . TYR B 35  ? 0.654 0.469 0.502 -0.098 0.067  -0.086 365 TYR EEE N   
1224 C CA  . TYR B 35  ? 0.654 0.494 0.498 -0.100 0.057  -0.088 365 TYR EEE CA  
1225 C C   . TYR B 35  ? 0.653 0.484 0.481 -0.103 0.061  -0.099 365 TYR EEE C   
1226 O O   . TYR B 35  ? 0.658 0.503 0.482 -0.099 0.057  -0.098 365 TYR EEE O   
1227 C CB  . TYR B 35  ? 0.650 0.506 0.498 -0.111 0.048  -0.088 365 TYR EEE CB  
1228 C CG  . TYR B 35  ? 0.633 0.496 0.495 -0.110 0.047  -0.078 365 TYR EEE CG  
1229 C CD1 . TYR B 35  ? 0.626 0.506 0.495 -0.100 0.043  -0.068 365 TYR EEE CD1 
1230 C CD2 . TYR B 35  ? 0.640 0.489 0.505 -0.118 0.053  -0.079 365 TYR EEE CD2 
1231 C CE1 . TYR B 35  ? 0.627 0.509 0.504 -0.099 0.044  -0.059 365 TYR EEE CE1 
1232 C CE2 . TYR B 35  ? 0.650 0.501 0.523 -0.118 0.054  -0.070 365 TYR EEE CE2 
1233 C CZ  . TYR B 35  ? 0.637 0.506 0.516 -0.108 0.050  -0.060 365 TYR EEE CZ  
1234 O OH  . TYR B 35  ? 0.690 0.559 0.573 -0.108 0.052  -0.051 365 TYR EEE OH  
1235 N N   . SER B 36  ? 0.695 0.502 0.513 -0.111 0.069  -0.110 366 SER EEE N   
1236 C CA  . SER B 36  ? 0.749 0.543 0.547 -0.116 0.075  -0.123 366 SER EEE CA  
1237 C C   . SER B 36  ? 0.743 0.530 0.543 -0.102 0.086  -0.122 366 SER EEE C   
1238 O O   . SER B 36  ? 0.773 0.563 0.559 -0.102 0.088  -0.127 366 SER EEE O   
1239 C CB  . SER B 36  ? 0.790 0.559 0.575 -0.129 0.081  -0.136 366 SER EEE CB  
1240 O OG  . SER B 36  ? 0.825 0.607 0.607 -0.144 0.068  -0.139 366 SER EEE OG  
1241 N N   . VAL B 37  ? 0.733 0.510 0.550 -0.090 0.094  -0.115 367 VAL EEE N   
1242 C CA  . VAL B 37  ? 0.747 0.522 0.576 -0.075 0.103  -0.113 367 VAL EEE CA  
1243 C C   . VAL B 37  ? 0.723 0.527 0.558 -0.069 0.095  -0.104 367 VAL EEE C   
1244 O O   . VAL B 37  ? 0.712 0.518 0.544 -0.065 0.102  -0.108 367 VAL EEE O   
1245 C CB  . VAL B 37  ? 0.774 0.533 0.622 -0.063 0.109  -0.105 367 VAL EEE CB  
1246 C CG1 . VAL B 37  ? 0.753 0.520 0.622 -0.046 0.113  -0.099 367 VAL EEE CG1 
1247 C CG2 . VAL B 37  ? 0.821 0.547 0.661 -0.068 0.121  -0.116 367 VAL EEE CG2 
1248 N N   . LEU B 38  ? 0.683 0.505 0.525 -0.069 0.082  -0.094 368 LEU EEE N   
1249 C CA  . LEU B 38  ? 0.636 0.484 0.482 -0.064 0.074  -0.086 368 LEU EEE CA  
1250 C C   . LEU B 38  ? 0.646 0.498 0.471 -0.073 0.072  -0.094 368 LEU EEE C   
1251 O O   . LEU B 38  ? 0.606 0.466 0.430 -0.068 0.076  -0.094 368 LEU EEE O   
1252 C CB  . LEU B 38  ? 0.625 0.490 0.479 -0.065 0.061  -0.076 368 LEU EEE CB  
1253 C CG  . LEU B 38  ? 0.664 0.525 0.533 -0.057 0.061  -0.066 368 LEU EEE CG  
1254 C CD1 . LEU B 38  ? 0.696 0.574 0.569 -0.059 0.051  -0.058 368 LEU EEE CD1 
1255 C CD2 . LEU B 38  ? 0.625 0.488 0.509 -0.043 0.065  -0.061 368 LEU EEE CD2 
1256 N N   . TYR B 39  ? 0.630 0.478 0.440 -0.086 0.067  -0.101 369 TYR EEE N   
1257 C CA  . TYR B 39  ? 0.715 0.567 0.501 -0.096 0.061  -0.107 369 TYR EEE CA  
1258 C C   . TYR B 39  ? 0.720 0.555 0.488 -0.096 0.074  -0.117 369 TYR EEE C   
1259 O O   . TYR B 39  ? 0.746 0.588 0.500 -0.097 0.073  -0.116 369 TYR EEE O   
1260 C CB  . TYR B 39  ? 0.763 0.613 0.537 -0.111 0.051  -0.114 369 TYR EEE CB  
1261 C CG  . TYR B 39  ? 0.799 0.654 0.549 -0.119 0.043  -0.118 369 TYR EEE CG  
1262 C CD1 . TYR B 39  ? 0.757 0.633 0.509 -0.116 0.030  -0.109 369 TYR EEE CD1 
1263 C CD2 . TYR B 39  ? 0.873 0.707 0.595 -0.128 0.048  -0.131 369 TYR EEE CD2 
1264 C CE1 . TYR B 39  ? 0.768 0.646 0.496 -0.122 0.022  -0.111 369 TYR EEE CE1 
1265 C CE2 . TYR B 39  ? 0.881 0.716 0.574 -0.135 0.040  -0.134 369 TYR EEE CE2 
1266 C CZ  . TYR B 39  ? 0.841 0.698 0.538 -0.132 0.026  -0.123 369 TYR EEE CZ  
1267 O OH  . TYR B 39  ? 0.818 0.674 0.485 -0.138 0.017  -0.125 369 TYR EEE OH  
1268 N N   . ASN B 40  ? 0.719 0.532 0.488 -0.095 0.088  -0.125 370 ASN EEE N   
1269 C CA  . ASN B 40  ? 0.789 0.582 0.541 -0.096 0.105  -0.137 370 ASN EEE CA  
1270 C C   . ASN B 40  ? 0.780 0.579 0.551 -0.082 0.117  -0.132 370 ASN EEE C   
1271 O O   . ASN B 40  ? 0.783 0.568 0.544 -0.082 0.133  -0.142 370 ASN EEE O   
1272 C CB  . ASN B 40  ? 0.861 0.627 0.608 -0.101 0.116  -0.148 370 ASN EEE CB  
1273 C CG  . ASN B 40  ? 0.924 0.684 0.651 -0.117 0.105  -0.155 370 ASN EEE CG  
1274 O OD1 . ASN B 40  ? 0.988 0.754 0.692 -0.128 0.095  -0.158 370 ASN EEE OD1 
1275 N ND2 . ASN B 40  ? 1.019 0.766 0.756 -0.120 0.106  -0.157 370 ASN EEE ND2 
1276 N N   . SER B 41  ? 0.715 0.534 0.513 -0.071 0.110  -0.119 371 SER EEE N   
1277 C CA  . SER B 41  ? 0.727 0.555 0.548 -0.058 0.119  -0.115 371 SER EEE CA  
1278 C C   . SER B 41  ? 0.717 0.555 0.523 -0.061 0.121  -0.115 371 SER EEE C   
1279 O O   . SER B 41  ? 0.649 0.501 0.444 -0.066 0.107  -0.109 371 SER EEE O   
1280 C CB  . SER B 41  ? 0.666 0.511 0.514 -0.048 0.109  -0.101 371 SER EEE CB  
1281 O OG  . SER B 41  ? 0.680 0.537 0.551 -0.037 0.114  -0.097 371 SER EEE OG  
1282 N N   . ALA B 42  ? 0.703 0.533 0.512 -0.058 0.140  -0.122 372 ALA EEE N   
1283 C CA  . ALA B 42  ? 0.742 0.579 0.540 -0.060 0.147  -0.123 372 ALA EEE CA  
1284 C C   . ALA B 42  ? 0.712 0.574 0.536 -0.051 0.139  -0.111 372 ALA EEE C   
1285 O O   . ALA B 42  ? 0.759 0.628 0.574 -0.054 0.142  -0.109 372 ALA EEE O   
1286 C CB  . ALA B 42  ? 0.771 0.592 0.568 -0.059 0.171  -0.135 372 ALA EEE CB  
1287 N N   . SER B 43  ? 0.712 0.587 0.567 -0.042 0.130  -0.102 373 SER EEE N   
1288 C CA  . SER B 43  ? 0.674 0.572 0.552 -0.035 0.121  -0.090 373 SER EEE CA  
1289 C C   . SER B 43  ? 0.643 0.551 0.502 -0.042 0.105  -0.084 373 SER EEE C   
1290 O O   . SER B 43  ? 0.640 0.564 0.510 -0.039 0.102  -0.077 373 SER EEE O   
1291 C CB  . SER B 43  ? 0.685 0.590 0.593 -0.024 0.113  -0.083 373 SER EEE CB  
1292 O OG  . SER B 43  ? 0.720 0.614 0.647 -0.016 0.125  -0.088 373 SER EEE OG  
1293 N N   . PHE B 44  ? 0.594 0.494 0.430 -0.050 0.096  -0.085 374 PHE EEE N   
1294 C CA  . PHE B 44  ? 0.569 0.480 0.392 -0.055 0.080  -0.078 374 PHE EEE CA  
1295 C C   . PHE B 44  ? 0.603 0.506 0.393 -0.064 0.082  -0.083 374 PHE EEE C   
1296 O O   . PHE B 44  ? 0.629 0.515 0.399 -0.071 0.088  -0.092 374 PHE EEE O   
1297 C CB  . PHE B 44  ? 0.562 0.475 0.386 -0.057 0.068  -0.076 374 PHE EEE CB  
1298 C CG  . PHE B 44  ? 0.525 0.439 0.374 -0.049 0.067  -0.071 374 PHE EEE CG  
1299 C CD1 . PHE B 44  ? 0.504 0.433 0.376 -0.040 0.065  -0.063 374 PHE EEE CD1 
1300 C CD2 . PHE B 44  ? 0.538 0.440 0.389 -0.051 0.069  -0.075 374 PHE EEE CD2 
1301 C CE1 . PHE B 44  ? 0.507 0.436 0.398 -0.033 0.062  -0.058 374 PHE EEE CE1 
1302 C CE2 . PHE B 44  ? 0.539 0.440 0.409 -0.043 0.068  -0.069 374 PHE EEE CE2 
1303 C CZ  . PHE B 44  ? 0.554 0.468 0.443 -0.034 0.064  -0.060 374 PHE EEE CZ  
1304 N N   . SER B 45  ? 0.574 0.486 0.357 -0.065 0.077  -0.076 375 SER EEE N   
1305 C CA  . SER B 45  ? 0.622 0.524 0.370 -0.074 0.077  -0.078 375 SER EEE CA  
1306 C C   . SER B 45  ? 0.605 0.513 0.340 -0.078 0.057  -0.073 375 SER EEE C   
1307 O O   . SER B 45  ? 0.631 0.528 0.335 -0.087 0.052  -0.076 375 SER EEE O   
1308 C CB  . SER B 45  ? 0.609 0.515 0.358 -0.072 0.085  -0.074 375 SER EEE CB  
1309 O OG  . SER B 45  ? 0.535 0.460 0.311 -0.064 0.077  -0.065 375 SER EEE OG  
1310 N N   . THR B 46  ? 0.553 0.476 0.312 -0.073 0.046  -0.066 376 THR EEE N   
1311 C CA  . THR B 46  ? 0.569 0.501 0.326 -0.076 0.028  -0.062 376 THR EEE CA  
1312 C C   . THR B 46  ? 0.567 0.502 0.342 -0.076 0.026  -0.065 376 THR EEE C   
1313 O O   . THR B 46  ? 0.520 0.459 0.317 -0.069 0.031  -0.063 376 THR EEE O   
1314 C CB  . THR B 46  ? 0.601 0.549 0.372 -0.071 0.018  -0.052 376 THR EEE CB  
1315 O OG1 . THR B 46  ? 0.566 0.510 0.321 -0.070 0.021  -0.048 376 THR EEE OG1 
1316 C CG2 . THR B 46  ? 0.607 0.565 0.379 -0.073 0.002  -0.048 376 THR EEE CG2 
1317 N N   . PHE B 47  ? 0.552 0.483 0.316 -0.085 0.017  -0.070 377 PHE EEE N   
1318 C CA  . PHE B 47  ? 0.530 0.463 0.310 -0.087 0.015  -0.073 377 PHE EEE CA  
1319 C C   . PHE B 47  ? 0.547 0.486 0.318 -0.096 -0.000 -0.075 377 PHE EEE C   
1320 O O   . PHE B 47  ? 0.548 0.474 0.297 -0.105 -0.002 -0.083 377 PHE EEE O   
1321 C CB  . PHE B 47  ? 0.559 0.474 0.336 -0.088 0.028  -0.081 377 PHE EEE CB  
1322 C CG  . PHE B 47  ? 0.567 0.482 0.366 -0.086 0.030  -0.080 377 PHE EEE CG  
1323 C CD1 . PHE B 47  ? 0.588 0.511 0.394 -0.092 0.020  -0.080 377 PHE EEE CD1 
1324 C CD2 . PHE B 47  ? 0.586 0.494 0.400 -0.077 0.041  -0.079 377 PHE EEE CD2 
1325 C CE1 . PHE B 47  ? 0.592 0.513 0.415 -0.091 0.023  -0.078 377 PHE EEE CE1 
1326 C CE2 . PHE B 47  ? 0.565 0.471 0.395 -0.075 0.041  -0.076 377 PHE EEE CE2 
1327 C CZ  . PHE B 47  ? 0.570 0.480 0.402 -0.083 0.033  -0.076 377 PHE EEE CZ  
1328 N N   . LYS B 48  ? 0.530 0.487 0.318 -0.093 -0.012 -0.068 378 LYS EEE N   
1329 C CA  . LYS B 48  ? 0.543 0.511 0.332 -0.100 -0.028 -0.068 378 LYS EEE CA  
1330 C C   . LYS B 48  ? 0.520 0.502 0.337 -0.101 -0.031 -0.067 378 LYS EEE C   
1331 O O   . LYS B 48  ? 0.483 0.474 0.319 -0.093 -0.028 -0.060 378 LYS EEE O   
1332 C CB  . LYS B 48  ? 0.559 0.538 0.345 -0.095 -0.039 -0.059 378 LYS EEE CB  
1333 C CG  . LYS B 48  ? 0.602 0.566 0.355 -0.096 -0.036 -0.059 378 LYS EEE CG  
1334 C CD  . LYS B 48  ? 0.611 0.583 0.360 -0.091 -0.047 -0.050 378 LYS EEE CD  
1335 C CE  . LYS B 48  ? 0.609 0.592 0.382 -0.081 -0.042 -0.042 378 LYS EEE CE  
1336 N NZ  . LYS B 48  ? 0.662 0.645 0.425 -0.076 -0.049 -0.033 378 LYS EEE NZ  
1337 N N   . CYS B 49  ? 0.528 0.509 0.347 -0.111 -0.036 -0.074 379 CYS EEE N   
1338 C CA  . CYS B 49  ? 0.521 0.517 0.368 -0.114 -0.038 -0.074 379 CYS EEE CA  
1339 C C   . CYS B 49  ? 0.510 0.526 0.368 -0.119 -0.056 -0.073 379 CYS EEE C   
1340 O O   . CYS B 49  ? 0.522 0.535 0.361 -0.126 -0.068 -0.078 379 CYS EEE O   
1341 C CB  . CYS B 49  ? 0.569 0.549 0.415 -0.123 -0.029 -0.082 379 CYS EEE CB  
1342 S SG  . CYS B 49  ? 0.608 0.566 0.447 -0.115 -0.010 -0.081 379 CYS EEE SG  
1343 N N   . TYR B 50  ? 0.479 0.514 0.366 -0.116 -0.057 -0.069 380 TYR EEE N   
1344 C CA  . TYR B 50  ? 0.493 0.552 0.404 -0.118 -0.072 -0.067 380 TYR EEE CA  
1345 C C   . TYR B 50  ? 0.504 0.573 0.442 -0.126 -0.068 -0.072 380 TYR EEE C   
1346 O O   . TYR B 50  ? 0.489 0.550 0.435 -0.125 -0.052 -0.071 380 TYR EEE O   
1347 C CB  . TYR B 50  ? 0.483 0.555 0.408 -0.105 -0.073 -0.057 380 TYR EEE CB  
1348 C CG  . TYR B 50  ? 0.487 0.549 0.386 -0.098 -0.076 -0.052 380 TYR EEE CG  
1349 C CD1 . TYR B 50  ? 0.477 0.522 0.360 -0.092 -0.063 -0.049 380 TYR EEE CD1 
1350 C CD2 . TYR B 50  ? 0.524 0.592 0.414 -0.097 -0.093 -0.049 380 TYR EEE CD2 
1351 C CE1 . TYR B 50  ? 0.507 0.543 0.367 -0.087 -0.064 -0.045 380 TYR EEE CE1 
1352 C CE2 . TYR B 50  ? 0.554 0.609 0.417 -0.091 -0.095 -0.043 380 TYR EEE CE2 
1353 C CZ  . TYR B 50  ? 0.531 0.570 0.379 -0.087 -0.079 -0.042 380 TYR EEE CZ  
1354 O OH  . TYR B 50  ? 0.564 0.591 0.388 -0.083 -0.078 -0.037 380 TYR EEE OH  
1355 N N   . GLY B 51  ? 0.534 0.618 0.486 -0.136 -0.082 -0.078 381 GLY EEE N   
1356 C CA  . GLY B 51  ? 0.561 0.658 0.543 -0.146 -0.079 -0.084 381 GLY EEE CA  
1357 C C   . GLY B 51  ? 0.608 0.682 0.576 -0.157 -0.067 -0.092 381 GLY EEE C   
1358 O O   . GLY B 51  ? 0.648 0.729 0.638 -0.168 -0.063 -0.097 381 GLY EEE O   
1359 N N   . VAL B 52  ? 0.601 0.650 0.537 -0.155 -0.060 -0.093 382 VAL EEE N   
1360 C CA  . VAL B 52  ? 0.629 0.652 0.551 -0.162 -0.046 -0.100 382 VAL EEE CA  
1361 C C   . VAL B 52  ? 0.643 0.643 0.529 -0.159 -0.044 -0.102 382 VAL EEE C   
1362 O O   . VAL B 52  ? 0.636 0.640 0.510 -0.150 -0.050 -0.096 382 VAL EEE O   
1363 C CB  . VAL B 52  ? 0.620 0.636 0.555 -0.157 -0.028 -0.094 382 VAL EEE CB  
1364 C CG1 . VAL B 52  ? 0.635 0.642 0.557 -0.142 -0.021 -0.085 382 VAL EEE CG1 
1365 C CG2 . VAL B 52  ? 0.670 0.662 0.599 -0.167 -0.016 -0.101 382 VAL EEE CG2 
1366 N N   . SER B 53  ? 0.691 0.666 0.561 -0.167 -0.035 -0.111 383 SER EEE N   
1367 C CA  . SER B 53  ? 0.681 0.631 0.519 -0.164 -0.028 -0.114 383 SER EEE CA  
1368 C C   . SER B 53  ? 0.707 0.634 0.544 -0.159 -0.009 -0.114 383 SER EEE C   
1369 O O   . SER B 53  ? 0.696 0.623 0.552 -0.163 -0.003 -0.113 383 SER EEE O   
1370 C CB  . SER B 53  ? 0.695 0.635 0.510 -0.177 -0.036 -0.126 383 SER EEE CB  
1371 O OG  . SER B 53  ? 0.668 0.593 0.486 -0.190 -0.029 -0.136 383 SER EEE OG  
1372 N N   . PRO B 54  ? 0.717 0.625 0.535 -0.152 0.001  -0.114 384 PRO EEE N   
1373 C CA  . PRO B 54  ? 0.731 0.617 0.550 -0.146 0.018  -0.114 384 PRO EEE CA  
1374 C C   . PRO B 54  ? 0.738 0.603 0.554 -0.158 0.024  -0.124 384 PRO EEE C   
1375 O O   . PRO B 54  ? 0.756 0.609 0.584 -0.155 0.034  -0.120 384 PRO EEE O   
1376 C CB  . PRO B 54  ? 0.779 0.651 0.578 -0.138 0.025  -0.116 384 PRO EEE CB  
1377 C CG  . PRO B 54  ? 0.736 0.628 0.530 -0.134 0.013  -0.111 384 PRO EEE CG  
1378 C CD  . PRO B 54  ? 0.708 0.617 0.505 -0.146 -0.003 -0.114 384 PRO EEE CD  
1379 N N   . THR B 55  ? 0.723 0.582 0.524 -0.173 0.018  -0.136 385 THR EEE N   
1380 C CA  . THR B 55  ? 0.742 0.582 0.542 -0.187 0.024  -0.147 385 THR EEE CA  
1381 C C   . THR B 55  ? 0.731 0.585 0.558 -0.193 0.021  -0.143 385 THR EEE C   
1382 O O   . THR B 55  ? 0.768 0.603 0.601 -0.197 0.033  -0.144 385 THR EEE O   
1383 C CB  . THR B 55  ? 0.768 0.602 0.546 -0.203 0.015  -0.162 385 THR EEE CB  
1384 O OG1 . THR B 55  ? 0.838 0.657 0.588 -0.197 0.020  -0.166 385 THR EEE OG1 
1385 C CG2 . THR B 55  ? 0.776 0.586 0.551 -0.219 0.022  -0.175 385 THR EEE CG2 
1386 N N   . LYS B 56  ? 0.712 0.598 0.555 -0.195 0.007  -0.138 386 LYS EEE N   
1387 C CA  . LYS B 56  ? 0.743 0.645 0.616 -0.201 0.007  -0.135 386 LYS EEE CA  
1388 C C   . LYS B 56  ? 0.671 0.565 0.553 -0.189 0.021  -0.123 386 LYS EEE C   
1389 O O   . LYS B 56  ? 0.660 0.543 0.551 -0.195 0.030  -0.123 386 LYS EEE O   
1390 C CB  . LYS B 56  ? 0.790 0.729 0.681 -0.203 -0.011 -0.133 386 LYS EEE CB  
1391 C CG  . LYS B 56  ? 0.875 0.833 0.799 -0.212 -0.011 -0.131 386 LYS EEE CG  
1392 C CD  . LYS B 56  ? 0.971 0.962 0.915 -0.219 -0.031 -0.135 386 LYS EEE CD  
1393 C CE  . LYS B 56  ? 1.066 1.070 1.041 -0.235 -0.030 -0.141 386 LYS EEE CE  
1394 N NZ  . LYS B 56  ? 1.110 1.153 1.118 -0.236 -0.045 -0.139 386 LYS EEE NZ  
1395 N N   . LEU B 57  ? 0.624 0.521 0.500 -0.172 0.022  -0.113 387 LEU EEE N   
1396 C CA  . LEU B 57  ? 0.629 0.520 0.512 -0.160 0.032  -0.101 387 LEU EEE CA  
1397 C C   . LEU B 57  ? 0.664 0.521 0.537 -0.160 0.046  -0.102 387 LEU EEE C   
1398 O O   . LEU B 57  ? 0.644 0.491 0.524 -0.159 0.054  -0.095 387 LEU EEE O   
1399 C CB  . LEU B 57  ? 0.616 0.516 0.494 -0.144 0.029  -0.092 387 LEU EEE CB  
1400 C CG  . LEU B 57  ? 0.587 0.518 0.477 -0.141 0.017  -0.088 387 LEU EEE CG  
1401 C CD1 . LEU B 57  ? 0.604 0.540 0.486 -0.127 0.015  -0.081 387 LEU EEE CD1 
1402 C CD2 . LEU B 57  ? 0.597 0.542 0.508 -0.142 0.019  -0.081 387 LEU EEE CD2 
1403 N N   . ASN B 58  ? 0.669 0.506 0.526 -0.162 0.049  -0.112 388 ASN EEE N   
1404 C CA  . ASN B 58  ? 0.730 0.531 0.578 -0.162 0.063  -0.114 388 ASN EEE CA  
1405 C C   . ASN B 58  ? 0.771 0.560 0.626 -0.177 0.068  -0.118 388 ASN EEE C   
1406 O O   . ASN B 58  ? 0.790 0.549 0.641 -0.176 0.080  -0.116 388 ASN EEE O   
1407 C CB  . ASN B 58  ? 0.780 0.561 0.609 -0.164 0.067  -0.126 388 ASN EEE CB  
1408 C CG  . ASN B 58  ? 0.746 0.522 0.570 -0.146 0.072  -0.121 388 ASN EEE CG  
1409 O OD1 . ASN B 58  ? 0.749 0.542 0.582 -0.134 0.068  -0.109 388 ASN EEE OD1 
1410 N ND2 . ASN B 58  ? 0.831 0.583 0.642 -0.145 0.082  -0.130 388 ASN EEE ND2 
1411 N N   . ASP B 59  ? 0.763 0.575 0.631 -0.191 0.060  -0.123 389 ASP EEE N   
1412 C CA  . ASP B 59  ? 0.767 0.571 0.644 -0.209 0.065  -0.128 389 ASP EEE CA  
1413 C C   . ASP B 59  ? 0.719 0.545 0.618 -0.210 0.065  -0.119 389 ASP EEE C   
1414 O O   . ASP B 59  ? 0.732 0.563 0.646 -0.227 0.067  -0.125 389 ASP EEE O   
1415 C CB  . ASP B 59  ? 0.814 0.623 0.689 -0.227 0.057  -0.145 389 ASP EEE CB  
1416 C CG  . ASP B 59  ? 0.880 0.671 0.761 -0.245 0.065  -0.153 389 ASP EEE CG  
1417 O OD1 . ASP B 59  ? 0.892 0.652 0.768 -0.243 0.080  -0.148 389 ASP EEE OD1 
1418 O OD2 . ASP B 59  ? 0.946 0.754 0.839 -0.263 0.056  -0.163 389 ASP EEE OD2 
1419 N N   . LEU B 60  ? 0.687 0.525 0.589 -0.195 0.064  -0.106 390 LEU EEE N   
1420 C CA  . LEU B 60  ? 0.692 0.552 0.613 -0.196 0.065  -0.098 390 LEU EEE CA  
1421 C C   . LEU B 60  ? 0.700 0.541 0.611 -0.184 0.076  -0.085 390 LEU EEE C   
1422 O O   . LEU B 60  ? 0.695 0.520 0.591 -0.170 0.076  -0.079 390 LEU EEE O   
1423 C CB  . LEU B 60  ? 0.655 0.551 0.587 -0.189 0.051  -0.097 390 LEU EEE CB  
1424 C CG  . LEU B 60  ? 0.687 0.608 0.635 -0.202 0.039  -0.108 390 LEU EEE CG  
1425 C CD1 . LEU B 60  ? 0.688 0.641 0.645 -0.193 0.025  -0.105 390 LEU EEE CD1 
1426 C CD2 . LEU B 60  ? 0.711 0.640 0.683 -0.219 0.044  -0.113 390 LEU EEE CD2 
1427 N N   . CYS B 61  ? 0.679 0.524 0.601 -0.189 0.084  -0.079 391 CYS EEE N   
1428 C CA  . CYS B 61  ? 0.692 0.521 0.603 -0.180 0.092  -0.065 391 CYS EEE CA  
1429 C C   . CYS B 61  ? 0.674 0.533 0.598 -0.177 0.090  -0.060 391 CYS EEE C   
1430 O O   . CYS B 61  ? 0.630 0.514 0.576 -0.187 0.088  -0.067 391 CYS EEE O   
1431 C CB  . CYS B 61  ? 0.769 0.568 0.674 -0.191 0.107  -0.063 391 CYS EEE CB  
1432 S SG  . CYS B 61  ? 0.896 0.651 0.781 -0.191 0.113  -0.065 391 CYS EEE SG  
1433 N N   . PHE B 62  ? 0.623 0.479 0.535 -0.163 0.089  -0.049 392 PHE EEE N   
1434 C CA  . PHE B 62  ? 0.593 0.472 0.513 -0.158 0.088  -0.044 392 PHE EEE CA  
1435 C C   . PHE B 62  ? 0.611 0.467 0.511 -0.153 0.098  -0.032 392 PHE EEE C   
1436 O O   . PHE B 62  ? 0.618 0.443 0.498 -0.149 0.100  -0.026 392 PHE EEE O   
1437 C CB  . PHE B 62  ? 0.578 0.480 0.501 -0.145 0.074  -0.045 392 PHE EEE CB  
1438 C CG  . PHE B 62  ? 0.579 0.503 0.518 -0.150 0.064  -0.055 392 PHE EEE CG  
1439 C CD1 . PHE B 62  ? 0.612 0.564 0.576 -0.158 0.061  -0.060 392 PHE EEE CD1 
1440 C CD2 . PHE B 62  ? 0.618 0.534 0.548 -0.148 0.057  -0.060 392 PHE EEE CD2 
1441 C CE1 . PHE B 62  ? 0.623 0.594 0.600 -0.163 0.049  -0.069 392 PHE EEE CE1 
1442 C CE2 . PHE B 62  ? 0.598 0.532 0.537 -0.154 0.047  -0.070 392 PHE EEE CE2 
1443 C CZ  . PHE B 62  ? 0.604 0.565 0.565 -0.161 0.042  -0.074 392 PHE EEE CZ  
1444 N N   . THR B 63  ? 0.582 0.450 0.485 -0.154 0.103  -0.029 393 THR EEE N   
1445 C CA  . THR B 63  ? 0.591 0.438 0.471 -0.150 0.110  -0.017 393 THR EEE CA  
1446 C C   . THR B 63  ? 0.568 0.414 0.434 -0.133 0.098  -0.010 393 THR EEE C   
1447 O O   . THR B 63  ? 0.611 0.431 0.453 -0.127 0.098  -0.001 393 THR EEE O   
1448 C CB  . THR B 63  ? 0.570 0.431 0.458 -0.157 0.121  -0.018 393 THR EEE CB  
1449 O OG1 . THR B 63  ? 0.564 0.438 0.478 -0.172 0.130  -0.027 393 THR EEE OG1 
1450 C CG2 . THR B 63  ? 0.611 0.445 0.470 -0.157 0.132  -0.007 393 THR EEE CG2 
1451 N N   . ASN B 64  ? 0.535 0.410 0.415 -0.126 0.088  -0.014 394 ASN EEE N   
1452 C CA  . ASN B 64  ? 0.540 0.419 0.411 -0.112 0.077  -0.009 394 ASN EEE CA  
1453 C C   . ASN B 64  ? 0.509 0.410 0.396 -0.107 0.066  -0.017 394 ASN EEE C   
1454 O O   . ASN B 64  ? 0.502 0.423 0.408 -0.114 0.066  -0.025 394 ASN EEE O   
1455 C CB  . ASN B 64  ? 0.529 0.416 0.393 -0.108 0.078  -0.005 394 ASN EEE CB  
1456 C CG  . ASN B 64  ? 0.582 0.445 0.424 -0.112 0.089  0.003  394 ASN EEE CG  
1457 O OD1 . ASN B 64  ? 0.614 0.452 0.435 -0.108 0.087  0.011  394 ASN EEE OD1 
1458 N ND2 . ASN B 64  ? 0.605 0.474 0.452 -0.122 0.101  0.000  394 ASN EEE ND2 
1459 N N   . VAL B 65  ? 0.501 0.398 0.381 -0.096 0.058  -0.014 395 VAL EEE N   
1460 C CA  . VAL B 65  ? 0.479 0.395 0.368 -0.090 0.048  -0.019 395 VAL EEE CA  
1461 C C   . VAL B 65  ? 0.462 0.385 0.346 -0.080 0.043  -0.013 395 VAL EEE C   
1462 O O   . VAL B 65  ? 0.488 0.396 0.358 -0.075 0.044  -0.005 395 VAL EEE O   
1463 C CB  . VAL B 65  ? 0.506 0.409 0.391 -0.088 0.047  -0.022 395 VAL EEE CB  
1464 C CG1 . VAL B 65  ? 0.484 0.402 0.374 -0.081 0.038  -0.026 395 VAL EEE CG1 
1465 C CG2 . VAL B 65  ? 0.547 0.443 0.437 -0.101 0.052  -0.030 395 VAL EEE CG2 
1466 N N   . TYR B 66  ? 0.436 0.381 0.330 -0.078 0.038  -0.016 396 TYR EEE N   
1467 C CA  . TYR B 66  ? 0.453 0.406 0.343 -0.069 0.032  -0.011 396 TYR EEE CA  
1468 C C   . TYR B 66  ? 0.457 0.418 0.351 -0.063 0.025  -0.014 396 TYR EEE C   
1469 O O   . TYR B 66  ? 0.461 0.431 0.362 -0.066 0.023  -0.020 396 TYR EEE O   
1470 C CB  . TYR B 66  ? 0.439 0.406 0.335 -0.071 0.034  -0.012 396 TYR EEE CB  
1471 C CG  . TYR B 66  ? 0.437 0.395 0.328 -0.077 0.044  -0.010 396 TYR EEE CG  
1472 C CD1 . TYR B 66  ? 0.452 0.393 0.324 -0.075 0.047  -0.003 396 TYR EEE CD1 
1473 C CD2 . TYR B 66  ? 0.459 0.423 0.364 -0.087 0.051  -0.015 396 TYR EEE CD2 
1474 C CE1 . TYR B 66  ? 0.477 0.406 0.339 -0.082 0.058  -0.001 396 TYR EEE CE1 
1475 C CE2 . TYR B 66  ? 0.479 0.433 0.378 -0.094 0.063  -0.013 396 TYR EEE CE2 
1476 C CZ  . TYR B 66  ? 0.483 0.418 0.359 -0.092 0.067  -0.006 396 TYR EEE CZ  
1477 O OH  . TYR B 66  ? 0.502 0.425 0.369 -0.100 0.081  -0.004 396 TYR EEE OH  
1478 N N   . ALA B 67  ? 0.441 0.396 0.328 -0.054 0.022  -0.009 397 ALA EEE N   
1479 C CA  . ALA B 67  ? 0.431 0.393 0.322 -0.049 0.017  -0.012 397 ALA EEE CA  
1480 C C   . ALA B 67  ? 0.400 0.374 0.292 -0.044 0.013  -0.008 397 ALA EEE C   
1481 O O   . ALA B 67  ? 0.425 0.393 0.312 -0.040 0.011  -0.003 397 ALA EEE O   
1482 C CB  . ALA B 67  ? 0.474 0.422 0.363 -0.044 0.018  -0.010 397 ALA EEE CB  
1483 N N   . ASP B 68  ? 0.391 0.378 0.288 -0.045 0.011  -0.012 398 ASP EEE N   
1484 C CA  . ASP B 68  ? 0.383 0.380 0.281 -0.041 0.007  -0.010 398 ASP EEE CA  
1485 C C   . ASP B 68  ? 0.412 0.411 0.311 -0.037 0.005  -0.010 398 ASP EEE C   
1486 O O   . ASP B 68  ? 0.433 0.431 0.332 -0.038 0.006  -0.014 398 ASP EEE O   
1487 C CB  . ASP B 68  ? 0.369 0.378 0.273 -0.044 0.007  -0.012 398 ASP EEE CB  
1488 C CG  . ASP B 68  ? 0.411 0.420 0.318 -0.049 0.012  -0.012 398 ASP EEE CG  
1489 O OD1 . ASP B 68  ? 0.448 0.446 0.347 -0.049 0.015  -0.009 398 ASP EEE OD1 
1490 O OD2 . ASP B 68  ? 0.426 0.445 0.344 -0.051 0.011  -0.015 398 ASP EEE OD2 
1491 N N   . SER B 69  ? 0.409 0.409 0.308 -0.033 0.003  -0.008 399 SER EEE N   
1492 C CA  . SER B 69  ? 0.403 0.406 0.307 -0.029 0.002  -0.009 399 SER EEE CA  
1493 C C   . SER B 69  ? 0.414 0.424 0.319 -0.028 -0.000 -0.007 399 SER EEE C   
1494 O O   . SER B 69  ? 0.396 0.406 0.298 -0.028 -0.003 -0.005 399 SER EEE O   
1495 C CB  . SER B 69  ? 0.413 0.410 0.322 -0.026 0.003  -0.008 399 SER EEE CB  
1496 O OG  . SER B 69  ? 0.410 0.404 0.319 -0.023 -0.001 -0.003 399 SER EEE OG  
1497 N N   . PHE B 70  ? 0.398 0.412 0.306 -0.028 0.001  -0.009 400 PHE EEE N   
1498 C CA  . PHE B 70  ? 0.367 0.387 0.277 -0.027 0.000  -0.008 400 PHE EEE CA  
1499 C C   . PHE B 70  ? 0.368 0.389 0.280 -0.028 0.005  -0.011 400 PHE EEE C   
1500 O O   . PHE B 70  ? 0.389 0.406 0.298 -0.028 0.009  -0.014 400 PHE EEE O   
1501 C CB  . PHE B 70  ? 0.364 0.386 0.269 -0.029 -0.001 -0.008 400 PHE EEE CB  
1502 C CG  . PHE B 70  ? 0.374 0.395 0.275 -0.031 -0.001 -0.009 400 PHE EEE CG  
1503 C CD1 . PHE B 70  ? 0.386 0.407 0.282 -0.032 -0.001 -0.010 400 PHE EEE CD1 
1504 C CD2 . PHE B 70  ? 0.377 0.398 0.278 -0.032 -0.001 -0.010 400 PHE EEE CD2 
1505 C CE1 . PHE B 70  ? 0.418 0.440 0.310 -0.034 -0.003 -0.011 400 PHE EEE CE1 
1506 C CE2 . PHE B 70  ? 0.392 0.416 0.293 -0.035 -0.003 -0.011 400 PHE EEE CE2 
1507 C CZ  . PHE B 70  ? 0.404 0.428 0.299 -0.035 -0.005 -0.012 400 PHE EEE CZ  
1508 N N   . VAL B 71  ? 0.399 0.424 0.314 -0.028 0.005  -0.010 401 VAL EEE N   
1509 C CA  . VAL B 71  ? 0.360 0.384 0.275 -0.030 0.012  -0.012 401 VAL EEE CA  
1510 C C   . VAL B 71  ? 0.392 0.413 0.296 -0.033 0.011  -0.010 401 VAL EEE C   
1511 O O   . VAL B 71  ? 0.371 0.393 0.274 -0.032 0.007  -0.008 401 VAL EEE O   
1512 C CB  . VAL B 71  ? 0.363 0.394 0.294 -0.030 0.013  -0.013 401 VAL EEE CB  
1513 C CG1 . VAL B 71  ? 0.408 0.438 0.338 -0.033 0.021  -0.014 401 VAL EEE CG1 
1514 C CG2 . VAL B 71  ? 0.376 0.409 0.319 -0.026 0.015  -0.015 401 VAL EEE CG2 
1515 N N   . ILE B 72  ? 0.370 0.385 0.262 -0.035 0.015  -0.011 402 ILE EEE N   
1516 C CA  . ILE B 72  ? 0.393 0.402 0.273 -0.037 0.015  -0.008 402 ILE EEE CA  
1517 C C   . ILE B 72  ? 0.419 0.422 0.290 -0.040 0.024  -0.009 402 ILE EEE C   
1518 O O   . ILE B 72  ? 0.437 0.441 0.314 -0.041 0.030  -0.013 402 ILE EEE O   
1519 C CB  . ILE B 72  ? 0.406 0.413 0.275 -0.036 0.007  -0.006 402 ILE EEE CB  
1520 C CG1 . ILE B 72  ? 0.427 0.431 0.287 -0.038 0.008  -0.009 402 ILE EEE CG1 
1521 C CG2 . ILE B 72  ? 0.404 0.417 0.283 -0.033 0.002  -0.005 402 ILE EEE CG2 
1522 C CD1 . ILE B 72  ? 0.440 0.443 0.291 -0.039 -0.000 -0.008 402 ILE EEE CD1 
1523 N N   . ARG B 73  ? 0.421 0.415 0.277 -0.043 0.025  -0.005 403 ARG EEE N   
1524 C CA  . ARG B 73  ? 0.434 0.417 0.276 -0.048 0.035  -0.007 403 ARG EEE CA  
1525 C C   . ARG B 73  ? 0.462 0.436 0.281 -0.050 0.033  -0.007 403 ARG EEE C   
1526 O O   . ARG B 73  ? 0.438 0.414 0.253 -0.047 0.022  -0.006 403 ARG EEE O   
1527 C CB  . ARG B 73  ? 0.461 0.435 0.295 -0.051 0.038  -0.002 403 ARG EEE CB  
1528 C CG  . ARG B 73  ? 0.493 0.459 0.311 -0.048 0.029  0.005  403 ARG EEE CG  
1529 C CD  . ARG B 73  ? 0.530 0.481 0.334 -0.052 0.034  0.010  403 ARG EEE CD  
1530 N NE  . ARG B 73  ? 0.542 0.497 0.364 -0.053 0.039  0.009  403 ARG EEE NE  
1531 C CZ  . ARG B 73  ? 0.577 0.528 0.403 -0.051 0.035  0.013  403 ARG EEE CZ  
1532 N NH1 . ARG B 73  ? 0.641 0.588 0.460 -0.046 0.025  0.018  403 ARG EEE NH1 
1533 N NH2 . ARG B 73  ? 0.577 0.530 0.417 -0.055 0.040  0.011  403 ARG EEE NH2 
1534 N N   . GLY B 74  ? 0.468 0.434 0.275 -0.054 0.044  -0.011 404 GLY EEE N   
1535 C CA  . GLY B 74  ? 0.507 0.463 0.289 -0.057 0.043  -0.014 404 GLY EEE CA  
1536 C C   . GLY B 74  ? 0.517 0.464 0.276 -0.058 0.030  -0.007 404 GLY EEE C   
1537 O O   . GLY B 74  ? 0.511 0.460 0.264 -0.058 0.021  -0.009 404 GLY EEE O   
1538 N N   . ASP B 75  ? 0.539 0.479 0.289 -0.058 0.028  -0.000 405 ASP EEE N   
1539 C CA  . ASP B 75  ? 0.564 0.494 0.291 -0.057 0.015  0.007  405 ASP EEE CA  
1540 C C   . ASP B 75  ? 0.531 0.476 0.278 -0.051 -0.000 0.010  405 ASP EEE C   
1541 O O   . ASP B 75  ? 0.521 0.462 0.257 -0.049 -0.013 0.016  405 ASP EEE O   
1542 C CB  . ASP B 75  ? 0.609 0.522 0.317 -0.059 0.019  0.015  405 ASP EEE CB  
1543 C CG  . ASP B 75  ? 0.631 0.549 0.359 -0.055 0.019  0.020  405 ASP EEE CG  
1544 O OD1 . ASP B 75  ? 0.651 0.585 0.407 -0.049 0.013  0.018  405 ASP EEE OD1 
1545 O OD2 . ASP B 75  ? 0.681 0.584 0.396 -0.058 0.026  0.025  405 ASP EEE OD2 
1546 N N   . GLU B 76  ? 0.485 0.445 0.262 -0.047 0.001  0.006  406 GLU EEE N   
1547 C CA  . GLU B 76  ? 0.471 0.444 0.266 -0.042 -0.010 0.007  406 GLU EEE CA  
1548 C C   . GLU B 76  ? 0.458 0.440 0.259 -0.043 -0.013 0.001  406 GLU EEE C   
1549 O O   . GLU B 76  ? 0.450 0.442 0.266 -0.040 -0.021 0.001  406 GLU EEE O   
1550 C CB  . GLU B 76  ? 0.446 0.427 0.264 -0.038 -0.006 0.007  406 GLU EEE CB  
1551 C CG  . GLU B 76  ? 0.483 0.456 0.298 -0.037 -0.003 0.013  406 GLU EEE CG  
1552 C CD  . GLU B 76  ? 0.489 0.468 0.324 -0.035 0.002  0.011  406 GLU EEE CD  
1553 O OE1 . GLU B 76  ? 0.461 0.448 0.308 -0.036 0.006  0.006  406 GLU EEE OE1 
1554 O OE2 . GLU B 76  ? 0.537 0.511 0.374 -0.033 0.001  0.015  406 GLU EEE OE2 
1555 N N   . VAL B 77  ? 0.473 0.449 0.263 -0.048 -0.005 -0.005 407 VAL EEE N   
1556 C CA  . VAL B 77  ? 0.473 0.454 0.269 -0.050 -0.007 -0.011 407 VAL EEE CA  
1557 C C   . VAL B 77  ? 0.488 0.472 0.278 -0.052 -0.022 -0.010 407 VAL EEE C   
1558 O O   . VAL B 77  ? 0.498 0.493 0.304 -0.051 -0.026 -0.013 407 VAL EEE O   
1559 C CB  . VAL B 77  ? 0.503 0.474 0.287 -0.055 0.004  -0.019 407 VAL EEE CB  
1560 C CG1 . VAL B 77  ? 0.538 0.509 0.320 -0.058 0.002  -0.025 407 VAL EEE CG1 
1561 C CG2 . VAL B 77  ? 0.501 0.477 0.304 -0.052 0.016  -0.020 407 VAL EEE CG2 
1562 N N   . ARG B 78  ? 0.509 0.485 0.278 -0.053 -0.030 -0.006 408 ARG EEE N   
1563 C CA  . ARG B 78  ? 0.523 0.502 0.286 -0.054 -0.046 -0.004 408 ARG EEE CA  
1564 C C   . ARG B 78  ? 0.506 0.503 0.299 -0.048 -0.055 0.000  408 ARG EEE C   
1565 O O   . ARG B 78  ? 0.510 0.517 0.312 -0.049 -0.067 -0.001 408 ARG EEE O   
1566 C CB  . ARG B 78  ? 0.606 0.571 0.338 -0.056 -0.054 0.002  408 ARG EEE CB  
1567 C CG  . ARG B 78  ? 0.625 0.585 0.357 -0.050 -0.054 0.012  408 ARG EEE CG  
1568 C CD  . ARG B 78  ? 0.702 0.668 0.440 -0.045 -0.072 0.020  408 ARG EEE CD  
1569 N NE  . ARG B 78  ? 0.722 0.682 0.466 -0.038 -0.070 0.029  408 ARG EEE NE  
1570 C CZ  . ARG B 78  ? 0.705 0.676 0.472 -0.029 -0.079 0.034  408 ARG EEE CZ  
1571 N NH1 . ARG B 78  ? 0.696 0.684 0.484 -0.026 -0.092 0.033  408 ARG EEE NH1 
1572 N NH2 . ARG B 78  ? 0.711 0.672 0.479 -0.024 -0.075 0.041  408 ARG EEE NH2 
1573 N N   . GLN B 79  ? 0.471 0.471 0.280 -0.042 -0.048 0.003  409 GLN EEE N   
1574 C CA  . GLN B 79  ? 0.470 0.485 0.307 -0.035 -0.054 0.006  409 GLN EEE CA  
1575 C C   . GLN B 79  ? 0.447 0.474 0.305 -0.037 -0.050 -0.000 409 GLN EEE C   
1576 O O   . GLN B 79  ? 0.431 0.471 0.312 -0.034 -0.054 0.000  409 GLN EEE O   
1577 C CB  . GLN B 79  ? 0.470 0.482 0.315 -0.030 -0.046 0.010  409 GLN EEE CB  
1578 C CG  . GLN B 79  ? 0.465 0.464 0.292 -0.027 -0.050 0.018  409 GLN EEE CG  
1579 C CD  . GLN B 79  ? 0.455 0.451 0.293 -0.022 -0.044 0.021  409 GLN EEE CD  
1580 O OE1 . GLN B 79  ? 0.441 0.447 0.301 -0.018 -0.042 0.020  409 GLN EEE OE1 
1581 N NE2 . GLN B 79  ? 0.470 0.450 0.289 -0.024 -0.038 0.025  409 GLN EEE NE2 
1582 N N   . ILE B 80  ? 0.454 0.476 0.306 -0.042 -0.041 -0.006 410 ILE EEE N   
1583 C CA  . ILE B 80  ? 0.438 0.468 0.307 -0.044 -0.037 -0.012 410 ILE EEE CA  
1584 C C   . ILE B 80  ? 0.452 0.486 0.319 -0.050 -0.046 -0.016 410 ILE EEE C   
1585 O O   . ILE B 80  ? 0.468 0.495 0.325 -0.056 -0.042 -0.022 410 ILE EEE O   
1586 C CB  . ILE B 80  ? 0.435 0.458 0.301 -0.045 -0.025 -0.015 410 ILE EEE CB  
1587 C CG1 . ILE B 80  ? 0.438 0.457 0.303 -0.040 -0.019 -0.011 410 ILE EEE CG1 
1588 C CG2 . ILE B 80  ? 0.403 0.431 0.284 -0.046 -0.022 -0.018 410 ILE EEE CG2 
1589 C CD1 . ILE B 80  ? 0.416 0.442 0.295 -0.036 -0.021 -0.007 410 ILE EEE CD1 
1590 N N   . ALA B 81  ? 0.461 0.507 0.341 -0.049 -0.057 -0.014 411 ALA EEE N   
1591 C CA  . ALA B 81  ? 0.511 0.566 0.395 -0.055 -0.068 -0.018 411 ALA EEE CA  
1592 C C   . ALA B 81  ? 0.494 0.567 0.406 -0.051 -0.077 -0.014 411 ALA EEE C   
1593 O O   . ALA B 81  ? 0.515 0.589 0.434 -0.043 -0.077 -0.008 411 ALA EEE O   
1594 C CB  . ALA B 81  ? 0.547 0.590 0.402 -0.060 -0.077 -0.018 411 ALA EEE CB  
1595 N N   . PRO B 82  ? 0.493 0.580 0.423 -0.057 -0.085 -0.019 412 PRO EEE N   
1596 C CA  . PRO B 82  ? 0.486 0.593 0.448 -0.052 -0.093 -0.016 412 PRO EEE CA  
1597 C C   . PRO B 82  ? 0.523 0.632 0.481 -0.045 -0.109 -0.009 412 PRO EEE C   
1598 O O   . PRO B 82  ? 0.557 0.655 0.487 -0.049 -0.118 -0.007 412 PRO EEE O   
1599 C CB  . PRO B 82  ? 0.501 0.623 0.481 -0.062 -0.099 -0.024 412 PRO EEE CB  
1600 C CG  . PRO B 82  ? 0.497 0.602 0.451 -0.071 -0.092 -0.030 412 PRO EEE CG  
1601 C CD  . PRO B 82  ? 0.496 0.580 0.420 -0.067 -0.084 -0.027 412 PRO EEE CD  
1602 N N   . GLY B 83  ? 0.531 0.651 0.514 -0.036 -0.110 -0.004 413 GLY EEE N   
1603 C CA  . GLY B 83  ? 0.544 0.667 0.530 -0.028 -0.127 0.005  413 GLY EEE CA  
1604 C C   . GLY B 83  ? 0.558 0.659 0.512 -0.023 -0.126 0.012  413 GLY EEE C   
1605 O O   . GLY B 83  ? 0.626 0.724 0.572 -0.018 -0.141 0.020  413 GLY EEE O   
1606 N N   . GLN B 84  ? 0.515 0.600 0.449 -0.024 -0.110 0.011  414 GLN EEE N   
1607 C CA  . GLN B 84  ? 0.535 0.599 0.439 -0.021 -0.107 0.017  414 GLN EEE CA  
1608 C C   . GLN B 84  ? 0.534 0.597 0.453 -0.011 -0.101 0.023  414 GLN EEE C   
1609 O O   . GLN B 84  ? 0.479 0.552 0.425 -0.009 -0.092 0.019  414 GLN EEE O   
1610 C CB  . GLN B 84  ? 0.551 0.601 0.432 -0.028 -0.092 0.012  414 GLN EEE CB  
1611 C CG  . GLN B 84  ? 0.614 0.659 0.473 -0.038 -0.096 0.007  414 GLN EEE CG  
1612 C CD  . GLN B 84  ? 0.645 0.677 0.475 -0.039 -0.109 0.013  414 GLN EEE CD  
1613 O OE1 . GLN B 84  ? 0.784 0.800 0.594 -0.035 -0.106 0.019  414 GLN EEE OE1 
1614 N NE2 . GLN B 84  ? 0.675 0.713 0.500 -0.044 -0.124 0.011  414 GLN EEE NE2 
1615 N N   . THR B 85  ? 0.562 0.608 0.461 -0.007 -0.104 0.031  415 THR EEE N   
1616 C CA  . THR B 85  ? 0.571 0.609 0.478 0.002  -0.096 0.036  415 THR EEE CA  
1617 C C   . THR B 85  ? 0.568 0.585 0.445 -0.002 -0.084 0.037  415 THR EEE C   
1618 O O   . THR B 85  ? 0.569 0.577 0.420 -0.010 -0.084 0.035  415 THR EEE O   
1619 C CB  . THR B 85  ? 0.624 0.659 0.538 0.011  -0.110 0.046  415 THR EEE CB  
1620 O OG1 . THR B 85  ? 0.649 0.667 0.527 0.009  -0.120 0.053  415 THR EEE OG1 
1621 C CG2 . THR B 85  ? 0.621 0.680 0.569 0.016  -0.123 0.045  415 THR EEE CG2 
1622 N N   . GLY B 86  ? 0.501 0.510 0.384 0.002  -0.074 0.039  416 GLY EEE N   
1623 C CA  . GLY B 86  ? 0.499 0.492 0.364 -0.002 -0.061 0.038  416 GLY EEE CA  
1624 C C   . GLY B 86  ? 0.486 0.485 0.368 -0.002 -0.048 0.032  416 GLY EEE C   
1625 O O   . GLY B 86  ? 0.461 0.475 0.366 0.000  -0.048 0.027  416 GLY EEE O   
1626 N N   . LYS B 87  ? 0.483 0.470 0.355 -0.005 -0.038 0.031  417 LYS EEE N   
1627 C CA  . LYS B 87  ? 0.489 0.479 0.376 -0.005 -0.028 0.026  417 LYS EEE CA  
1628 C C   . LYS B 87  ? 0.439 0.443 0.334 -0.009 -0.024 0.018  417 LYS EEE C   
1629 O O   . LYS B 87  ? 0.433 0.442 0.342 -0.007 -0.019 0.014  417 LYS EEE O   
1630 C CB  . LYS B 87  ? 0.580 0.554 0.453 -0.008 -0.020 0.027  417 LYS EEE CB  
1631 C CG  . LYS B 87  ? 0.630 0.589 0.501 -0.002 -0.022 0.034  417 LYS EEE CG  
1632 C CD  . LYS B 87  ? 0.696 0.639 0.556 -0.006 -0.013 0.035  417 LYS EEE CD  
1633 C CE  . LYS B 87  ? 0.695 0.623 0.557 0.002  -0.015 0.041  417 LYS EEE CE  
1634 N NZ  . LYS B 87  ? 0.793 0.716 0.649 0.008  -0.027 0.051  417 LYS EEE NZ  
1635 N N   . ILE B 88  ? 0.431 0.438 0.316 -0.014 -0.025 0.016  418 ILE EEE N   
1636 C CA  . ILE B 88  ? 0.423 0.439 0.315 -0.018 -0.022 0.010  418 ILE EEE CA  
1637 C C   . ILE B 88  ? 0.420 0.449 0.329 -0.016 -0.027 0.008  418 ILE EEE C   
1638 O O   . ILE B 88  ? 0.365 0.400 0.286 -0.015 -0.021 0.005  418 ILE EEE O   
1639 C CB  . ILE B 88  ? 0.415 0.429 0.294 -0.023 -0.020 0.008  418 ILE EEE CB  
1640 C CG1 . ILE B 88  ? 0.439 0.443 0.306 -0.026 -0.013 0.008  418 ILE EEE CG1 
1641 C CG2 . ILE B 88  ? 0.378 0.400 0.265 -0.026 -0.017 0.002  418 ILE EEE CG2 
1642 C CD1 . ILE B 88  ? 0.457 0.460 0.333 -0.025 -0.008 0.007  418 ILE EEE CD1 
1643 N N   . ALA B 89  ? 0.405 0.438 0.314 -0.015 -0.037 0.011  419 ALA EEE N   
1644 C CA  . ALA B 89  ? 0.433 0.481 0.362 -0.014 -0.042 0.009  419 ALA EEE CA  
1645 C C   . ALA B 89  ? 0.419 0.472 0.369 -0.007 -0.040 0.010  419 ALA EEE C   
1646 O O   . ALA B 89  ? 0.485 0.550 0.454 -0.007 -0.036 0.005  419 ALA EEE O   
1647 C CB  . ALA B 89  ? 0.460 0.511 0.383 -0.014 -0.056 0.012  419 ALA EEE CB  
1648 N N   . ASP B 90  ? 0.421 0.465 0.369 -0.001 -0.040 0.014  420 ASP EEE N   
1649 C CA  . ASP B 90  ? 0.420 0.467 0.389 0.007  -0.037 0.015  420 ASP EEE CA  
1650 C C   . ASP B 90  ? 0.404 0.447 0.374 0.004  -0.022 0.009  420 ASP EEE C   
1651 O O   . ASP B 90  ? 0.403 0.453 0.391 0.007  -0.016 0.006  420 ASP EEE O   
1652 C CB  . ASP B 90  ? 0.465 0.499 0.428 0.014  -0.042 0.022  420 ASP EEE CB  
1653 C CG  . ASP B 90  ? 0.547 0.583 0.508 0.017  -0.058 0.030  420 ASP EEE CG  
1654 O OD1 . ASP B 90  ? 0.517 0.568 0.486 0.015  -0.067 0.028  420 ASP EEE OD1 
1655 O OD2 . ASP B 90  ? 0.550 0.571 0.498 0.021  -0.062 0.037  420 ASP EEE OD2 
1656 N N   . TYR B 91  ? 0.395 0.426 0.345 -0.000 -0.017 0.009  421 TYR EEE N   
1657 C CA  . TYR B 91  ? 0.393 0.416 0.340 -0.002 -0.007 0.004  421 TYR EEE CA  
1658 C C   . TYR B 91  ? 0.400 0.424 0.337 -0.009 -0.002 0.000  421 TYR EEE C   
1659 O O   . TYR B 91  ? 0.389 0.407 0.323 -0.011 0.005  -0.003 421 TYR EEE O   
1660 C CB  . TYR B 91  ? 0.385 0.393 0.321 -0.000 -0.005 0.007  421 TYR EEE CB  
1661 C CG  . TYR B 91  ? 0.410 0.412 0.354 0.008  -0.009 0.013  421 TYR EEE CG  
1662 C CD1 . TYR B 91  ? 0.408 0.419 0.374 0.015  -0.010 0.013  421 TYR EEE CD1 
1663 C CD2 . TYR B 91  ? 0.445 0.432 0.375 0.008  -0.011 0.018  421 TYR EEE CD2 
1664 C CE1 . TYR B 91  ? 0.425 0.431 0.400 0.024  -0.016 0.019  421 TYR EEE CE1 
1665 C CE2 . TYR B 91  ? 0.487 0.465 0.422 0.016  -0.015 0.025  421 TYR EEE CE2 
1666 C CZ  . TYR B 91  ? 0.481 0.469 0.439 0.025  -0.019 0.025  421 TYR EEE CZ  
1667 O OH  . TYR B 91  ? 0.504 0.483 0.468 0.034  -0.024 0.032  421 TYR EEE OH  
1668 N N   . ASN B 92  ? 0.382 0.411 0.313 -0.013 -0.006 0.000  422 ASN EEE N   
1669 C CA  . ASN B 92  ? 0.389 0.416 0.311 -0.018 -0.003 -0.002 422 ASN EEE CA  
1670 C C   . ASN B 92  ? 0.412 0.447 0.338 -0.021 -0.003 -0.004 422 ASN EEE C   
1671 O O   . ASN B 92  ? 0.375 0.408 0.299 -0.024 0.002  -0.007 422 ASN EEE O   
1672 C CB  . ASN B 92  ? 0.395 0.417 0.305 -0.020 -0.005 -0.000 422 ASN EEE CB  
1673 C CG  . ASN B 92  ? 0.380 0.393 0.285 -0.020 -0.003 0.001  422 ASN EEE CG  
1674 O OD1 . ASN B 92  ? 0.370 0.379 0.272 -0.023 0.000  -0.002 422 ASN EEE OD1 
1675 N ND2 . ASN B 92  ? 0.390 0.397 0.295 -0.016 -0.005 0.004  422 ASN EEE ND2 
1676 N N   . TYR B 93  ? 0.362 0.403 0.291 -0.021 -0.009 -0.004 423 TYR EEE N   
1677 C CA  . TYR B 93  ? 0.361 0.407 0.293 -0.026 -0.009 -0.006 423 TYR EEE CA  
1678 C C   . TYR B 93  ? 0.398 0.453 0.339 -0.026 -0.017 -0.006 423 TYR EEE C   
1679 O O   . TYR B 93  ? 0.381 0.434 0.313 -0.025 -0.024 -0.004 423 TYR EEE O   
1680 C CB  . TYR B 93  ? 0.357 0.397 0.276 -0.029 -0.009 -0.007 423 TYR EEE CB  
1681 C CG  . TYR B 93  ? 0.367 0.408 0.288 -0.033 -0.008 -0.010 423 TYR EEE CG  
1682 C CD1 . TYR B 93  ? 0.367 0.404 0.288 -0.035 -0.002 -0.010 423 TYR EEE CD1 
1683 C CD2 . TYR B 93  ? 0.375 0.420 0.296 -0.036 -0.012 -0.011 423 TYR EEE CD2 
1684 C CE1 . TYR B 93  ? 0.399 0.436 0.322 -0.039 0.000  -0.012 423 TYR EEE CE1 
1685 C CE2 . TYR B 93  ? 0.382 0.426 0.305 -0.041 -0.011 -0.015 423 TYR EEE CE2 
1686 C CZ  . TYR B 93  ? 0.400 0.440 0.325 -0.043 -0.004 -0.015 423 TYR EEE CZ  
1687 O OH  . TYR B 93  ? 0.393 0.430 0.319 -0.048 -0.002 -0.018 423 TYR EEE OH  
1688 N N   . LYS B 94  ? 0.386 0.451 0.344 -0.027 -0.015 -0.008 424 LYS EEE N   
1689 C CA  . LYS B 94  ? 0.392 0.470 0.367 -0.026 -0.024 -0.008 424 LYS EEE CA  
1690 C C   . LYS B 94  ? 0.401 0.486 0.383 -0.033 -0.023 -0.013 424 LYS EEE C   
1691 O O   . LYS B 94  ? 0.396 0.480 0.383 -0.036 -0.014 -0.016 424 LYS EEE O   
1692 C CB  . LYS B 94  ? 0.412 0.497 0.407 -0.020 -0.021 -0.008 424 LYS EEE CB  
1693 C CG  . LYS B 94  ? 0.452 0.555 0.473 -0.018 -0.029 -0.008 424 LYS EEE CG  
1694 C CD  . LYS B 94  ? 0.477 0.582 0.494 -0.015 -0.045 -0.003 424 LYS EEE CD  
1695 C CE  . LYS B 94  ? 0.512 0.637 0.560 -0.012 -0.054 -0.004 424 LYS EEE CE  
1696 N NZ  . LYS B 94  ? 0.532 0.658 0.575 -0.009 -0.073 0.002  424 LYS EEE NZ  
1697 N N   . LEU B 95  ? 0.385 0.474 0.365 -0.037 -0.034 -0.014 425 LEU EEE N   
1698 C CA  . LEU B 95  ? 0.402 0.498 0.391 -0.045 -0.035 -0.019 425 LEU EEE CA  
1699 C C   . LEU B 95  ? 0.407 0.523 0.426 -0.044 -0.041 -0.020 425 LEU EEE C   
1700 O O   . LEU B 95  ? 0.447 0.570 0.473 -0.037 -0.051 -0.016 425 LEU EEE O   
1701 C CB  . LEU B 95  ? 0.440 0.529 0.409 -0.050 -0.042 -0.021 425 LEU EEE CB  
1702 C CG  . LEU B 95  ? 0.458 0.529 0.404 -0.051 -0.034 -0.021 425 LEU EEE CG  
1703 C CD1 . LEU B 95  ? 0.493 0.556 0.421 -0.056 -0.039 -0.024 425 LEU EEE CD1 
1704 C CD2 . LEU B 95  ? 0.449 0.516 0.400 -0.054 -0.022 -0.023 425 LEU EEE CD2 
1705 N N   . PRO B 96  ? 0.404 0.531 0.443 -0.051 -0.036 -0.025 426 PRO EEE N   
1706 C CA  . PRO B 96  ? 0.457 0.606 0.529 -0.051 -0.043 -0.027 426 PRO EEE CA  
1707 C C   . PRO B 96  ? 0.448 0.604 0.518 -0.054 -0.063 -0.027 426 PRO EEE C   
1708 O O   . PRO B 96  ? 0.447 0.590 0.491 -0.060 -0.066 -0.029 426 PRO EEE O   
1709 C CB  . PRO B 96  ? 0.458 0.612 0.546 -0.060 -0.030 -0.033 426 PRO EEE CB  
1710 C CG  . PRO B 96  ? 0.444 0.577 0.502 -0.066 -0.023 -0.034 426 PRO EEE CG  
1711 C CD  . PRO B 96  ? 0.421 0.538 0.452 -0.059 -0.025 -0.029 426 PRO EEE CD  
1712 N N   . ASP B 97  ? 0.448 0.623 0.545 -0.050 -0.075 -0.026 427 ASP EEE N   
1713 C CA  . ASP B 97  ? 0.507 0.692 0.605 -0.054 -0.097 -0.026 427 ASP EEE CA  
1714 C C   . ASP B 97  ? 0.515 0.701 0.611 -0.068 -0.096 -0.034 427 ASP EEE C   
1715 O O   . ASP B 97  ? 0.510 0.689 0.583 -0.074 -0.109 -0.036 427 ASP EEE O   
1716 C CB  . ASP B 97  ? 0.539 0.750 0.677 -0.047 -0.109 -0.023 427 ASP EEE CB  
1717 C CG  . ASP B 97  ? 0.592 0.797 0.729 -0.032 -0.112 -0.015 427 ASP EEE CG  
1718 O OD1 . ASP B 97  ? 0.655 0.838 0.760 -0.028 -0.104 -0.011 427 ASP EEE OD1 
1719 O OD2 . ASP B 97  ? 0.654 0.878 0.824 -0.024 -0.121 -0.012 427 ASP EEE OD2 
1720 N N   . ASP B 98  ? 0.510 0.701 0.625 -0.074 -0.081 -0.040 428 ASP EEE N   
1721 C CA  . ASP B 98  ? 0.552 0.745 0.671 -0.089 -0.080 -0.048 428 ASP EEE CA  
1722 C C   . ASP B 98  ? 0.523 0.689 0.609 -0.094 -0.065 -0.050 428 ASP EEE C   
1723 O O   . ASP B 98  ? 0.529 0.693 0.620 -0.104 -0.056 -0.056 428 ASP EEE O   
1724 C CB  . ASP B 98  ? 0.557 0.774 0.721 -0.094 -0.073 -0.053 428 ASP EEE CB  
1725 C CG  . ASP B 98  ? 0.626 0.837 0.797 -0.092 -0.048 -0.053 428 ASP EEE CG  
1726 O OD1 . ASP B 98  ? 0.632 0.827 0.781 -0.083 -0.041 -0.047 428 ASP EEE OD1 
1727 O OD2 . ASP B 98  ? 0.678 0.899 0.875 -0.101 -0.037 -0.058 428 ASP EEE OD2 
1728 N N   . PHE B 99  ? 0.503 0.650 0.558 -0.086 -0.062 -0.045 429 PHE EEE N   
1729 C CA  . PHE B 99  ? 0.497 0.620 0.524 -0.088 -0.049 -0.045 429 PHE EEE CA  
1730 C C   . PHE B 99  ? 0.506 0.619 0.521 -0.100 -0.050 -0.052 429 PHE EEE C   
1731 O O   . PHE B 99  ? 0.485 0.600 0.492 -0.105 -0.064 -0.055 429 PHE EEE O   
1732 C CB  . PHE B 99  ? 0.499 0.607 0.497 -0.080 -0.051 -0.040 429 PHE EEE CB  
1733 C CG  . PHE B 99  ? 0.474 0.560 0.448 -0.080 -0.039 -0.040 429 PHE EEE CG  
1734 C CD1 . PHE B 99  ? 0.457 0.536 0.434 -0.079 -0.025 -0.039 429 PHE EEE CD1 
1735 C CD2 . PHE B 99  ? 0.474 0.545 0.421 -0.081 -0.042 -0.041 429 PHE EEE CD2 
1736 C CE1 . PHE B 99  ? 0.458 0.519 0.416 -0.078 -0.017 -0.038 429 PHE EEE CE1 
1737 C CE2 . PHE B 99  ? 0.496 0.548 0.427 -0.080 -0.031 -0.041 429 PHE EEE CE2 
1738 C CZ  . PHE B 99  ? 0.471 0.519 0.408 -0.078 -0.020 -0.039 429 PHE EEE CZ  
1739 N N   . THR B 100 ? 0.476 0.578 0.489 -0.106 -0.036 -0.055 430 THR EEE N   
1740 C CA  . THR B 100 ? 0.481 0.565 0.478 -0.116 -0.032 -0.061 430 THR EEE CA  
1741 C C   . THR B 100 ? 0.493 0.552 0.465 -0.110 -0.020 -0.057 430 THR EEE C   
1742 O O   . THR B 100 ? 0.504 0.559 0.480 -0.106 -0.009 -0.053 430 THR EEE O   
1743 C CB  . THR B 100 ? 0.518 0.606 0.536 -0.127 -0.024 -0.066 430 THR EEE CB  
1744 O OG1 . THR B 100 ? 0.519 0.634 0.565 -0.131 -0.036 -0.070 430 THR EEE OG1 
1745 C CG2 . THR B 100 ? 0.527 0.595 0.529 -0.138 -0.020 -0.073 430 THR EEE CG2 
1746 N N   . GLY B 101 ? 0.469 0.514 0.417 -0.108 -0.023 -0.059 431 GLY EEE N   
1747 C CA  . GLY B 101 ? 0.474 0.499 0.403 -0.102 -0.014 -0.055 431 GLY EEE CA  
1748 C C   . GLY B 101 ? 0.459 0.475 0.367 -0.098 -0.018 -0.056 431 GLY EEE C   
1749 O O   . GLY B 101 ? 0.479 0.500 0.380 -0.103 -0.028 -0.061 431 GLY EEE O   
1750 N N   . CYS B 102 ? 0.495 0.500 0.392 -0.090 -0.010 -0.052 432 CYS EEE N   
1751 C CA  . CYS B 102 ? 0.506 0.499 0.383 -0.088 -0.010 -0.055 432 CYS EEE CA  
1752 C C   . CYS B 102 ? 0.480 0.476 0.355 -0.077 -0.008 -0.047 432 CYS EEE C   
1753 O O   . CYS B 102 ? 0.474 0.472 0.359 -0.071 -0.004 -0.042 432 CYS EEE O   
1754 C CB  . CYS B 102 ? 0.546 0.518 0.414 -0.090 0.000  -0.060 432 CYS EEE CB  
1755 S SG  . CYS B 102 ? 0.587 0.553 0.455 -0.104 -0.001 -0.070 432 CYS EEE SG  
1756 N N   . VAL B 103 ? 0.454 0.450 0.316 -0.076 -0.012 -0.048 433 VAL EEE N   
1757 C CA  . VAL B 103 ? 0.445 0.441 0.303 -0.068 -0.009 -0.042 433 VAL EEE CA  
1758 C C   . VAL B 103 ? 0.453 0.434 0.296 -0.068 -0.001 -0.046 433 VAL EEE C   
1759 O O   . VAL B 103 ? 0.444 0.416 0.269 -0.074 -0.002 -0.052 433 VAL EEE O   
1760 C CB  . VAL B 103 ? 0.473 0.479 0.327 -0.066 -0.019 -0.038 433 VAL EEE CB  
1761 C CG1 . VAL B 103 ? 0.513 0.517 0.362 -0.060 -0.015 -0.033 433 VAL EEE CG1 
1762 C CG2 . VAL B 103 ? 0.461 0.483 0.335 -0.066 -0.026 -0.034 433 VAL EEE CG2 
1763 N N   . ILE B 104 ? 0.432 0.410 0.282 -0.061 0.007  -0.044 434 ILE EEE N   
1764 C CA  . ILE B 104 ? 0.466 0.432 0.311 -0.059 0.018  -0.048 434 ILE EEE CA  
1765 C C   . ILE B 104 ? 0.472 0.444 0.321 -0.053 0.021  -0.043 434 ILE EEE C   
1766 O O   . ILE B 104 ? 0.465 0.446 0.327 -0.048 0.017  -0.037 434 ILE EEE O   
1767 C CB  . ILE B 104 ? 0.468 0.426 0.324 -0.056 0.024  -0.049 434 ILE EEE CB  
1768 C CG1 . ILE B 104 ? 0.507 0.459 0.361 -0.063 0.022  -0.053 434 ILE EEE CG1 
1769 C CG2 . ILE B 104 ? 0.483 0.429 0.338 -0.053 0.036  -0.054 434 ILE EEE CG2 
1770 C CD1 . ILE B 104 ? 0.531 0.474 0.396 -0.061 0.027  -0.051 434 ILE EEE CD1 
1771 N N   . ALA B 105 ? 0.448 0.414 0.286 -0.053 0.028  -0.046 435 ALA EEE N   
1772 C CA  . ALA B 105 ? 0.440 0.411 0.283 -0.049 0.032  -0.042 435 ALA EEE CA  
1773 C C   . ALA B 105 ? 0.464 0.425 0.303 -0.049 0.046  -0.048 435 ALA EEE C   
1774 O O   . ALA B 105 ? 0.493 0.442 0.317 -0.054 0.051  -0.055 435 ALA EEE O   
1775 C CB  . ALA B 105 ? 0.450 0.426 0.283 -0.051 0.025  -0.037 435 ALA EEE CB  
1776 N N   . TRP B 106 ? 0.428 0.397 0.285 -0.044 0.052  -0.046 436 TRP EEE N   
1777 C CA  . TRP B 106 ? 0.469 0.431 0.328 -0.043 0.067  -0.051 436 TRP EEE CA  
1778 C C   . TRP B 106 ? 0.473 0.446 0.344 -0.041 0.070  -0.047 436 TRP EEE C   
1779 O O   . TRP B 106 ? 0.426 0.411 0.312 -0.038 0.061  -0.041 436 TRP EEE O   
1780 C CB  . TRP B 106 ? 0.483 0.442 0.361 -0.038 0.074  -0.056 436 TRP EEE CB  
1781 C CG  . TRP B 106 ? 0.471 0.442 0.377 -0.029 0.068  -0.050 436 TRP EEE CG  
1782 C CD1 . TRP B 106 ? 0.487 0.467 0.419 -0.023 0.072  -0.049 436 TRP EEE CD1 
1783 C CD2 . TRP B 106 ? 0.450 0.423 0.360 -0.027 0.055  -0.044 436 TRP EEE CD2 
1784 N NE1 . TRP B 106 ? 0.461 0.449 0.410 -0.017 0.061  -0.042 436 TRP EEE NE1 
1785 C CE2 . TRP B 106 ? 0.465 0.447 0.398 -0.020 0.052  -0.039 436 TRP EEE CE2 
1786 C CE3 . TRP B 106 ? 0.471 0.441 0.366 -0.032 0.047  -0.043 436 TRP EEE CE3 
1787 C CZ2 . TRP B 106 ? 0.451 0.435 0.390 -0.017 0.041  -0.033 436 TRP EEE CZ2 
1788 C CZ3 . TRP B 106 ? 0.481 0.454 0.385 -0.029 0.039  -0.037 436 TRP EEE CZ3 
1789 C CH2 . TRP B 106 ? 0.461 0.439 0.383 -0.022 0.036  -0.032 436 TRP EEE CH2 
1790 N N   . ASN B 107 ? 0.470 0.437 0.335 -0.044 0.084  -0.052 437 ASN EEE N   
1791 C CA  . ASN B 107 ? 0.484 0.460 0.362 -0.044 0.090  -0.050 437 ASN EEE CA  
1792 C C   . ASN B 107 ? 0.481 0.472 0.397 -0.037 0.090  -0.049 437 ASN EEE C   
1793 O O   . ASN B 107 ? 0.456 0.445 0.386 -0.032 0.098  -0.054 437 ASN EEE O   
1794 C CB  . ASN B 107 ? 0.524 0.487 0.384 -0.051 0.108  -0.056 437 ASN EEE CB  
1795 C CG  . ASN B 107 ? 0.519 0.490 0.391 -0.053 0.116  -0.053 437 ASN EEE CG  
1796 O OD1 . ASN B 107 ? 0.483 0.469 0.389 -0.048 0.120  -0.054 437 ASN EEE OD1 
1797 N ND2 . ASN B 107 ? 0.537 0.497 0.380 -0.060 0.118  -0.051 437 ASN EEE ND2 
1798 N N   . SER B 108 ? 0.435 0.440 0.368 -0.035 0.082  -0.043 438 SER EEE N   
1799 C CA  . SER B 108 ? 0.449 0.469 0.417 -0.028 0.079  -0.042 438 SER EEE CA  
1800 C C   . SER B 108 ? 0.453 0.484 0.439 -0.030 0.085  -0.042 438 SER EEE C   
1801 O O   . SER B 108 ? 0.418 0.465 0.430 -0.027 0.076  -0.039 438 SER EEE O   
1802 C CB  . SER B 108 ? 0.425 0.450 0.395 -0.024 0.061  -0.035 438 SER EEE CB  
1803 O OG  . SER B 108 ? 0.425 0.451 0.380 -0.029 0.054  -0.031 438 SER EEE OG  
1804 N N   . ASN B 109 ? 0.426 0.450 0.400 -0.037 0.100  -0.046 439 ASN EEE N   
1805 C CA  . ASN B 109 ? 0.452 0.486 0.443 -0.042 0.110  -0.047 439 ASN EEE CA  
1806 C C   . ASN B 109 ? 0.468 0.520 0.504 -0.036 0.113  -0.050 439 ASN EEE C   
1807 O O   . ASN B 109 ? 0.480 0.547 0.539 -0.037 0.109  -0.049 439 ASN EEE O   
1808 C CB  . ASN B 109 ? 0.479 0.498 0.447 -0.050 0.129  -0.052 439 ASN EEE CB  
1809 C CG  . ASN B 109 ? 0.467 0.490 0.440 -0.057 0.136  -0.050 439 ASN EEE CG  
1810 O OD1 . ASN B 109 ? 0.476 0.504 0.451 -0.058 0.125  -0.044 439 ASN EEE OD1 
1811 N ND2 . ASN B 109 ? 0.469 0.488 0.445 -0.063 0.158  -0.056 439 ASN EEE ND2 
1812 N N   . ASN B 110 ? 0.479 0.531 0.529 -0.029 0.119  -0.055 440 ASN EEE N   
1813 C CA  . ASN B 110 ? 0.505 0.575 0.602 -0.021 0.121  -0.058 440 ASN EEE CA  
1814 C C   . ASN B 110 ? 0.451 0.535 0.567 -0.014 0.098  -0.051 440 ASN EEE C   
1815 O O   . ASN B 110 ? 0.464 0.567 0.618 -0.010 0.095  -0.051 440 ASN EEE O   
1816 C CB  . ASN B 110 ? 0.554 0.616 0.659 -0.015 0.134  -0.065 440 ASN EEE CB  
1817 C CG  . ASN B 110 ? 0.718 0.764 0.799 -0.011 0.124  -0.062 440 ASN EEE CG  
1818 O OD1 . ASN B 110 ? 0.670 0.708 0.721 -0.015 0.112  -0.057 440 ASN EEE OD1 
1819 N ND2 . ASN B 110 ? 0.826 0.868 0.924 -0.002 0.130  -0.066 440 ASN EEE ND2 
1820 N N   . LEU B 111 ? 0.430 0.505 0.520 -0.014 0.082  -0.044 441 LEU EEE N   
1821 C CA  . LEU B 111 ? 0.439 0.523 0.540 -0.008 0.062  -0.038 441 LEU EEE CA  
1822 C C   . LEU B 111 ? 0.420 0.510 0.512 -0.015 0.051  -0.033 441 LEU EEE C   
1823 O O   . LEU B 111 ? 0.423 0.527 0.536 -0.014 0.039  -0.031 441 LEU EEE O   
1824 C CB  . LEU B 111 ? 0.446 0.515 0.524 -0.004 0.053  -0.034 441 LEU EEE CB  
1825 C CG  . LEU B 111 ? 0.515 0.574 0.598 0.002  0.064  -0.038 441 LEU EEE CG  
1826 C CD1 . LEU B 111 ? 0.547 0.591 0.608 0.004  0.055  -0.035 441 LEU EEE CD1 
1827 C CD2 . LEU B 111 ? 0.538 0.611 0.664 0.011  0.065  -0.040 441 LEU EEE CD2 
1828 N N   . ASP B 112 ? 0.380 0.458 0.442 -0.023 0.055  -0.033 442 ASP EEE N   
1829 C CA  . ASP B 112 ? 0.380 0.458 0.427 -0.028 0.044  -0.029 442 ASP EEE CA  
1830 C C   . ASP B 112 ? 0.388 0.470 0.438 -0.036 0.053  -0.031 442 ASP EEE C   
1831 O O   . ASP B 112 ? 0.388 0.468 0.427 -0.040 0.045  -0.028 442 ASP EEE O   
1832 C CB  . ASP B 112 ? 0.376 0.438 0.389 -0.028 0.041  -0.026 442 ASP EEE CB  
1833 C CG  . ASP B 112 ? 0.389 0.447 0.398 -0.022 0.031  -0.023 442 ASP EEE CG  
1834 O OD1 . ASP B 112 ? 0.396 0.463 0.421 -0.018 0.021  -0.020 442 ASP EEE OD1 
1835 O OD2 . ASP B 112 ? 0.386 0.433 0.376 -0.022 0.034  -0.023 442 ASP EEE OD2 
1836 N N   . SER B 113 ? 0.368 0.451 0.429 -0.039 0.069  -0.036 443 SER EEE N   
1837 C CA  A SER B 113 ? 0.391 0.477 0.457 -0.048 0.078  -0.037 443 SER EEE CA  
1838 C CA  B SER B 113 ? 0.386 0.472 0.453 -0.048 0.079  -0.038 443 SER EEE CA  
1839 C C   . SER B 113 ? 0.386 0.494 0.496 -0.048 0.079  -0.041 443 SER EEE C   
1840 O O   . SER B 113 ? 0.400 0.519 0.536 -0.041 0.077  -0.043 443 SER EEE O   
1841 C CB  A SER B 113 ? 0.414 0.485 0.459 -0.054 0.098  -0.040 443 SER EEE CB  
1842 C CB  B SER B 113 ? 0.399 0.470 0.447 -0.053 0.099  -0.041 443 SER EEE CB  
1843 O OG  A SER B 113 ? 0.417 0.496 0.488 -0.054 0.114  -0.047 443 SER EEE OG  
1844 O OG  B SER B 113 ? 0.393 0.445 0.401 -0.053 0.096  -0.037 443 SER EEE OG  
1845 N N   . LYS B 114 ? 0.409 0.524 0.529 -0.057 0.080  -0.042 444 LYS EEE N   
1846 C CA  . LYS B 114 ? 0.452 0.591 0.617 -0.059 0.079  -0.046 444 LYS EEE CA  
1847 C C   . LYS B 114 ? 0.413 0.550 0.581 -0.071 0.095  -0.049 444 LYS EEE C   
1848 O O   . LYS B 114 ? 0.406 0.524 0.540 -0.077 0.098  -0.046 444 LYS EEE O   
1849 C CB  . LYS B 114 ? 0.520 0.668 0.691 -0.057 0.055  -0.042 444 LYS EEE CB  
1850 C CG  . LYS B 114 ? 0.694 0.868 0.911 -0.056 0.045  -0.045 444 LYS EEE CG  
1851 C CD  . LYS B 114 ? 0.797 0.977 1.011 -0.055 0.020  -0.041 444 LYS EEE CD  
1852 C CE  . LYS B 114 ? 0.903 1.108 1.160 -0.060 0.011  -0.045 444 LYS EEE CE  
1853 N NZ  . LYS B 114 ? 0.923 1.132 1.175 -0.058 -0.015 -0.041 444 LYS EEE NZ  
1854 N N   . VAL B 115 ? 0.423 0.579 0.632 -0.074 0.106  -0.055 445 VAL EEE N   
1855 C CA  . VAL B 115 ? 0.466 0.625 0.687 -0.088 0.122  -0.059 445 VAL EEE CA  
1856 C C   . VAL B 115 ? 0.473 0.632 0.688 -0.095 0.106  -0.057 445 VAL EEE C   
1857 O O   . VAL B 115 ? 0.485 0.662 0.722 -0.091 0.085  -0.057 445 VAL EEE O   
1858 C CB  . VAL B 115 ? 0.466 0.651 0.741 -0.089 0.134  -0.067 445 VAL EEE CB  
1859 C CG1 . VAL B 115 ? 0.476 0.666 0.766 -0.104 0.148  -0.071 445 VAL EEE CG1 
1860 C CG2 . VAL B 115 ? 0.472 0.653 0.749 -0.083 0.154  -0.071 445 VAL EEE CG2 
1861 N N   . GLY B 116 ? 0.488 0.626 0.671 -0.104 0.114  -0.055 446 GLY EEE N   
1862 C CA  . GLY B 116 ? 0.470 0.602 0.643 -0.111 0.102  -0.053 446 GLY EEE CA  
1863 C C   . GLY B 116 ? 0.457 0.570 0.590 -0.105 0.087  -0.046 446 GLY EEE C   
1864 O O   . GLY B 116 ? 0.476 0.578 0.594 -0.110 0.080  -0.045 446 GLY EEE O   
1865 N N   . GLY B 117 ? 0.421 0.530 0.539 -0.093 0.083  -0.043 447 GLY EEE N   
1866 C CA  . GLY B 117 ? 0.400 0.492 0.482 -0.087 0.071  -0.037 447 GLY EEE CA  
1867 C C   . GLY B 117 ? 0.401 0.504 0.491 -0.078 0.052  -0.036 447 GLY EEE C   
1868 O O   . GLY B 117 ? 0.405 0.524 0.520 -0.080 0.041  -0.039 447 GLY EEE O   
1869 N N   . ASN B 118 ? 0.413 0.508 0.483 -0.070 0.048  -0.032 448 ASN EEE N   
1870 C CA  . ASN B 118 ? 0.408 0.506 0.475 -0.062 0.031  -0.030 448 ASN EEE CA  
1871 C C   . ASN B 118 ? 0.460 0.541 0.496 -0.063 0.025  -0.026 448 ASN EEE C   
1872 O O   . ASN B 118 ? 0.473 0.540 0.484 -0.061 0.030  -0.023 448 ASN EEE O   
1873 C CB  . ASN B 118 ? 0.417 0.514 0.482 -0.053 0.031  -0.028 448 ASN EEE CB  
1874 C CG  . ASN B 118 ? 0.429 0.527 0.488 -0.046 0.015  -0.025 448 ASN EEE CG  
1875 O OD1 . ASN B 118 ? 0.440 0.538 0.495 -0.049 0.003  -0.024 448 ASN EEE OD1 
1876 N ND2 . ASN B 118 ? 0.430 0.525 0.485 -0.038 0.014  -0.023 448 ASN EEE ND2 
1877 N N   . TYR B 119 ? 0.446 0.530 0.484 -0.067 0.014  -0.027 449 TYR EEE N   
1878 C CA  . TYR B 119 ? 0.491 0.558 0.502 -0.069 0.010  -0.025 449 TYR EEE CA  
1879 C C   . TYR B 119 ? 0.485 0.549 0.482 -0.063 -0.001 -0.023 449 TYR EEE C   
1880 O O   . TYR B 119 ? 0.540 0.591 0.517 -0.064 -0.003 -0.022 449 TYR EEE O   
1881 C CB  . TYR B 119 ? 0.498 0.565 0.517 -0.079 0.009  -0.029 449 TYR EEE CB  
1882 C CG  . TYR B 119 ? 0.487 0.550 0.510 -0.087 0.024  -0.031 449 TYR EEE CG  
1883 C CD1 . TYR B 119 ? 0.496 0.538 0.494 -0.087 0.033  -0.027 449 TYR EEE CD1 
1884 C CD2 . TYR B 119 ? 0.448 0.526 0.500 -0.093 0.030  -0.035 449 TYR EEE CD2 
1885 C CE1 . TYR B 119 ? 0.529 0.563 0.526 -0.094 0.047  -0.027 449 TYR EEE CE1 
1886 C CE2 . TYR B 119 ? 0.500 0.571 0.553 -0.100 0.046  -0.036 449 TYR EEE CE2 
1887 C CZ  . TYR B 119 ? 0.544 0.590 0.567 -0.101 0.055  -0.031 449 TYR EEE CZ  
1888 O OH  . TYR B 119 ? 0.630 0.665 0.648 -0.109 0.071  -0.031 449 TYR EEE OH  
1889 N N   . ASN B 120 ? 0.466 0.540 0.472 -0.057 -0.008 -0.022 450 ASN EEE N   
1890 C CA  . ASN B 120 ? 0.458 0.527 0.450 -0.051 -0.018 -0.019 450 ASN EEE CA  
1891 C C   . ASN B 120 ? 0.424 0.478 0.392 -0.048 -0.012 -0.016 450 ASN EEE C   
1892 O O   . ASN B 120 ? 0.442 0.488 0.394 -0.048 -0.017 -0.015 450 ASN EEE O   
1893 C CB  . ASN B 120 ? 0.550 0.628 0.555 -0.045 -0.024 -0.017 450 ASN EEE CB  
1894 C CG  . ASN B 120 ? 0.756 0.849 0.785 -0.046 -0.036 -0.018 450 ASN EEE CG  
1895 O OD1 . ASN B 120 ? 0.757 0.854 0.789 -0.054 -0.040 -0.021 450 ASN EEE OD1 
1896 N ND2 . ASN B 120 ? 0.841 0.943 0.887 -0.039 -0.042 -0.016 450 ASN EEE ND2 
1897 N N   . TYR B 121 ? 0.356 0.408 0.322 -0.046 -0.003 -0.015 451 TYR EEE N   
1898 C CA  . TYR B 121 ? 0.346 0.387 0.294 -0.043 0.000  -0.013 451 TYR EEE CA  
1899 C C   . TYR B 121 ? 0.345 0.375 0.279 -0.045 0.003  -0.012 451 TYR EEE C   
1900 O O   . TYR B 121 ? 0.402 0.429 0.337 -0.049 0.010  -0.012 451 TYR EEE O   
1901 C CB  . TYR B 121 ? 0.349 0.390 0.297 -0.040 0.008  -0.012 451 TYR EEE CB  
1902 C CG  . TYR B 121 ? 0.365 0.413 0.325 -0.036 0.005  -0.013 451 TYR EEE CG  
1903 C CD1 . TYR B 121 ? 0.375 0.420 0.328 -0.032 -0.001 -0.011 451 TYR EEE CD1 
1904 C CD2 . TYR B 121 ? 0.351 0.408 0.331 -0.036 0.010  -0.015 451 TYR EEE CD2 
1905 C CE1 . TYR B 121 ? 0.399 0.448 0.362 -0.027 -0.003 -0.010 451 TYR EEE CE1 
1906 C CE2 . TYR B 121 ? 0.367 0.430 0.360 -0.030 0.008  -0.016 451 TYR EEE CE2 
1907 C CZ  . TYR B 121 ? 0.388 0.445 0.371 -0.026 0.001  -0.013 451 TYR EEE CZ  
1908 O OH  . TYR B 121 ? 0.397 0.455 0.391 -0.020 -0.000 -0.012 451 TYR EEE OH  
1909 N N   . LEU B 122 ? 0.356 0.380 0.278 -0.043 0.001  -0.011 452 LEU EEE N   
1910 C CA  . LEU B 122 ? 0.364 0.377 0.275 -0.043 0.003  -0.010 452 LEU EEE CA  
1911 C C   . LEU B 122 ? 0.351 0.361 0.255 -0.039 0.004  -0.007 452 LEU EEE C   
1912 O O   . LEU B 122 ? 0.365 0.381 0.270 -0.036 0.002  -0.007 452 LEU EEE O   
1913 C CB  . LEU B 122 ? 0.353 0.363 0.260 -0.045 -0.001 -0.013 452 LEU EEE CB  
1914 C CG  . LEU B 122 ? 0.380 0.395 0.294 -0.051 -0.006 -0.016 452 LEU EEE CG  
1915 C CD1 . LEU B 122 ? 0.389 0.396 0.291 -0.053 -0.009 -0.019 452 LEU EEE CD1 
1916 C CD2 . LEU B 122 ? 0.396 0.412 0.319 -0.056 -0.002 -0.018 452 LEU EEE CD2 
1917 N N   . TYR B 123 ? 0.363 0.365 0.262 -0.037 0.006  -0.005 453 TYR EEE N   
1918 C CA  . TYR B 123 ? 0.365 0.365 0.260 -0.032 0.005  -0.003 453 TYR EEE CA  
1919 C C   . TYR B 123 ? 0.353 0.343 0.246 -0.030 0.007  -0.002 453 TYR EEE C   
1920 O O   . TYR B 123 ? 0.383 0.365 0.274 -0.034 0.010  -0.003 453 TYR EEE O   
1921 C CB  . TYR B 123 ? 0.377 0.376 0.267 -0.031 0.005  0.001  453 TYR EEE CB  
1922 C CG  . TYR B 123 ? 0.430 0.418 0.313 -0.032 0.008  0.004  453 TYR EEE CG  
1923 C CD1 . TYR B 123 ? 0.430 0.416 0.312 -0.038 0.013  0.003  453 TYR EEE CD1 
1924 C CD2 . TYR B 123 ? 0.527 0.507 0.403 -0.028 0.005  0.009  453 TYR EEE CD2 
1925 C CE1 . TYR B 123 ? 0.467 0.440 0.339 -0.040 0.018  0.007  453 TYR EEE CE1 
1926 C CE2 . TYR B 123 ? 0.562 0.528 0.427 -0.029 0.008  0.014  453 TYR EEE CE2 
1927 C CZ  . TYR B 123 ? 0.558 0.520 0.420 -0.036 0.015  0.013  453 TYR EEE CZ  
1928 O OH  . TYR B 123 ? 0.652 0.598 0.502 -0.038 0.019  0.018  453 TYR EEE OH  
1929 N N   . ARG B 124 ? 0.358 0.349 0.253 -0.025 0.006  -0.002 454 ARG EEE N   
1930 C CA  . ARG B 124 ? 0.380 0.363 0.278 -0.022 0.008  -0.002 454 ARG EEE CA  
1931 C C   . ARG B 124 ? 0.403 0.380 0.300 -0.017 0.006  0.004  454 ARG EEE C   
1932 O O   . ARG B 124 ? 0.379 0.362 0.277 -0.015 0.001  0.008  454 ARG EEE O   
1933 C CB  . ARG B 124 ? 0.373 0.362 0.278 -0.018 0.010  -0.004 454 ARG EEE CB  
1934 C CG  . ARG B 124 ? 0.379 0.360 0.289 -0.015 0.015  -0.006 454 ARG EEE CG  
1935 C CD  . ARG B 124 ? 0.393 0.380 0.312 -0.012 0.020  -0.010 454 ARG EEE CD  
1936 N NE  . ARG B 124 ? 0.397 0.385 0.306 -0.018 0.022  -0.014 454 ARG EEE NE  
1937 C CZ  . ARG B 124 ? 0.390 0.368 0.287 -0.023 0.026  -0.019 454 ARG EEE CZ  
1938 N NH1 . ARG B 124 ? 0.404 0.369 0.299 -0.023 0.031  -0.022 454 ARG EEE NH1 
1939 N NH2 . ARG B 124 ? 0.412 0.390 0.298 -0.029 0.025  -0.021 454 ARG EEE NH2 
1940 N N   . LEU B 125 ? 0.396 0.359 0.289 -0.018 0.010  0.006  455 LEU EEE N   
1941 C CA  . LEU B 125 ? 0.452 0.403 0.340 -0.014 0.008  0.013  455 LEU EEE CA  
1942 C C   . LEU B 125 ? 0.465 0.412 0.362 -0.005 0.007  0.015  455 LEU EEE C   
1943 O O   . LEU B 125 ? 0.472 0.414 0.368 0.001  0.001  0.023  455 LEU EEE O   
1944 C CB  . LEU B 125 ? 0.512 0.449 0.391 -0.021 0.014  0.012  455 LEU EEE CB  
1945 C CG  . LEU B 125 ? 0.585 0.505 0.453 -0.020 0.015  0.020  455 LEU EEE CG  
1946 C CD1 . LEU B 125 ? 0.646 0.571 0.505 -0.020 0.009  0.025  455 LEU EEE CD1 
1947 C CD2 . LEU B 125 ? 0.584 0.492 0.447 -0.028 0.022  0.018  455 LEU EEE CD2 
1948 N N   . PHE B 126 ? 0.462 0.412 0.370 -0.003 0.012  0.009  456 PHE EEE N   
1949 C CA  . PHE B 126 ? 0.475 0.419 0.395 0.006  0.014  0.009  456 PHE EEE CA  
1950 C C   . PHE B 126 ? 0.483 0.440 0.417 0.007  0.018  0.003  456 PHE EEE C   
1951 O O   . PHE B 126 ? 0.433 0.392 0.359 -0.000 0.023  -0.004 456 PHE EEE O   
1952 C CB  . PHE B 126 ? 0.518 0.442 0.434 0.005  0.022  0.007  456 PHE EEE CB  
1953 C CG  . PHE B 126 ? 0.518 0.426 0.421 0.002  0.022  0.012  456 PHE EEE CG  
1954 C CD1 . PHE B 126 ? 0.537 0.435 0.438 0.009  0.016  0.022  456 PHE EEE CD1 
1955 C CD2 . PHE B 126 ? 0.509 0.410 0.401 -0.009 0.026  0.008  456 PHE EEE CD2 
1956 C CE1 . PHE B 126 ? 0.534 0.415 0.420 0.005  0.017  0.028  456 PHE EEE CE1 
1957 C CE2 . PHE B 126 ? 0.497 0.383 0.377 -0.013 0.028  0.012  456 PHE EEE CE2 
1958 C CZ  . PHE B 126 ? 0.576 0.450 0.451 -0.007 0.024  0.023  456 PHE EEE CZ  
1959 N N   . ARG B 127 ? 0.471 0.435 0.423 0.016  0.017  0.004  457 ARG EEE N   
1960 C CA  . ARG B 127 ? 0.471 0.445 0.438 0.017  0.024  -0.002 457 ARG EEE CA  
1961 C C   . ARG B 127 ? 0.532 0.509 0.525 0.029  0.024  -0.000 457 ARG EEE C   
1962 O O   . ARG B 127 ? 0.481 0.460 0.481 0.036  0.013  0.008  457 ARG EEE O   
1963 C CB  . ARG B 127 ? 0.466 0.458 0.434 0.013  0.019  -0.003 457 ARG EEE CB  
1964 C CG  . ARG B 127 ? 0.451 0.450 0.426 0.010  0.029  -0.010 457 ARG EEE CG  
1965 C CD  . ARG B 127 ? 0.463 0.477 0.436 0.004  0.024  -0.010 457 ARG EEE CD  
1966 N NE  . ARG B 127 ? 0.481 0.496 0.454 -0.000 0.035  -0.017 457 ARG EEE NE  
1967 C CZ  . ARG B 127 ? 0.496 0.521 0.488 0.002  0.042  -0.020 457 ARG EEE CZ  
1968 N NH1 . ARG B 127 ? 0.477 0.515 0.496 0.009  0.037  -0.018 457 ARG EEE NH1 
1969 N NH2 . ARG B 127 ? 0.502 0.524 0.488 -0.004 0.054  -0.026 457 ARG EEE NH2 
1970 N N   . LYS B 128 ? 0.448 0.538 0.515 0.045  -0.025 -0.025 458 LYS EEE N   
1971 C CA  . LYS B 128 ? 0.490 0.596 0.607 0.056  -0.029 -0.032 458 LYS EEE CA  
1972 C C   . LYS B 128 ? 0.448 0.577 0.600 0.052  -0.040 -0.030 458 LYS EEE C   
1973 O O   . LYS B 128 ? 0.459 0.598 0.654 0.059  -0.058 -0.030 458 LYS EEE O   
1974 C CB  . LYS B 128 ? 0.563 0.674 0.691 0.061  -0.002 -0.045 458 LYS EEE CB  
1975 C CG  . LYS B 128 ? 0.775 0.911 0.966 0.069  0.009  -0.056 458 LYS EEE CG  
1976 C CD  . LYS B 128 ? 0.926 1.055 1.120 0.073  0.040  -0.072 458 LYS EEE CD  
1977 C CE  . LYS B 128 ? 1.019 1.176 1.285 0.081  0.059  -0.085 458 LYS EEE CE  
1978 N NZ  . LYS B 128 ? 1.120 1.263 1.398 0.093  0.080  -0.099 458 LYS EEE NZ  
1979 N N   . SER B 129 ? 0.397 0.533 0.536 0.039  -0.031 -0.029 459 SER EEE N   
1980 C CA  . SER B 129 ? 0.402 0.555 0.570 0.032  -0.045 -0.026 459 SER EEE CA  
1981 C C   . SER B 129 ? 0.379 0.518 0.500 0.018  -0.047 -0.019 459 SER EEE C   
1982 O O   . SER B 129 ? 0.397 0.520 0.477 0.015  -0.033 -0.018 459 SER EEE O   
1983 C CB  . SER B 129 ? 0.410 0.596 0.635 0.032  -0.026 -0.037 459 SER EEE CB  
1984 O OG  . SER B 129 ? 0.434 0.617 0.629 0.023  0.004  -0.042 459 SER EEE OG  
1985 N N   . ASN B 130 ? 0.355 0.498 0.486 0.010  -0.065 -0.015 460 ASN EEE N   
1986 C CA  . ASN B 130 ? 0.380 0.506 0.467 -0.004 -0.066 -0.010 460 ASN EEE CA  
1987 C C   . ASN B 130 ? 0.375 0.516 0.465 -0.011 -0.041 -0.015 460 ASN EEE C   
1988 O O   . ASN B 130 ? 0.341 0.509 0.475 -0.011 -0.028 -0.023 460 ASN EEE O   
1989 C CB  . ASN B 130 ? 0.407 0.526 0.499 -0.012 -0.095 -0.004 460 ASN EEE CB  
1990 C CG  . ASN B 130 ? 0.441 0.528 0.505 -0.008 -0.122 0.004  460 ASN EEE CG  
1991 O OD1 . ASN B 130 ? 0.443 0.514 0.482 -0.001 -0.115 0.005  460 ASN EEE OD1 
1992 N ND2 . ASN B 130 ? 0.506 0.583 0.577 -0.014 -0.154 0.009  460 ASN EEE ND2 
1993 N N   . LEU B 131 ? 0.369 0.491 0.414 -0.019 -0.032 -0.012 461 LEU EEE N   
1994 C CA  . LEU B 131 ? 0.391 0.518 0.430 -0.029 -0.013 -0.015 461 LEU EEE CA  
1995 C C   . LEU B 131 ? 0.394 0.538 0.461 -0.039 -0.020 -0.016 461 LEU EEE C   
1996 O O   . LEU B 131 ? 0.389 0.527 0.457 -0.042 -0.042 -0.012 461 LEU EEE O   
1997 C CB  . LEU B 131 ? 0.418 0.519 0.412 -0.034 -0.009 -0.011 461 LEU EEE CB  
1998 C CG  . LEU B 131 ? 0.420 0.506 0.391 -0.028 -0.000 -0.009 461 LEU EEE CG  
1999 C CD1 . LEU B 131 ? 0.395 0.459 0.338 -0.034 0.002  -0.005 461 LEU EEE CD1 
2000 C CD2 . LEU B 131 ? 0.412 0.506 0.391 -0.027 0.014  -0.014 461 LEU EEE CD2 
2001 N N   . LYS B 132 ? 0.375 0.535 0.459 -0.047 -0.000 -0.021 462 LYS EEE N   
2002 C CA  . LYS B 132 ? 0.407 0.579 0.511 -0.061 -0.002 -0.022 462 LYS EEE CA  
2003 C C   . LYS B 132 ? 0.385 0.530 0.439 -0.071 -0.006 -0.016 462 LYS EEE C   
2004 O O   . LYS B 132 ? 0.384 0.506 0.398 -0.067 0.001  -0.014 462 LYS EEE O   
2005 C CB  . LYS B 132 ? 0.436 0.629 0.569 -0.068 0.025  -0.029 462 LYS EEE CB  
2006 C CG  . LYS B 132 ? 0.528 0.745 0.710 -0.058 0.038  -0.037 462 LYS EEE CG  
2007 C CD  . LYS B 132 ? 0.615 0.861 0.868 -0.053 0.019  -0.038 462 LYS EEE CD  
2008 C CE  . LYS B 132 ? 0.725 0.998 1.040 -0.043 0.038  -0.048 462 LYS EEE CE  
2009 N NZ  . LYS B 132 ? 0.839 1.149 1.238 -0.050 0.039  -0.052 462 LYS EEE NZ  
2010 N N   . PRO B 133 ? 0.400 0.544 0.457 -0.084 -0.017 -0.014 463 PRO EEE N   
2011 C CA  . PRO B 133 ? 0.416 0.531 0.427 -0.093 -0.018 -0.011 463 PRO EEE CA  
2012 C C   . PRO B 133 ? 0.416 0.521 0.403 -0.096 0.004  -0.012 463 PRO EEE C   
2013 O O   . PRO B 133 ? 0.416 0.537 0.421 -0.101 0.020  -0.015 463 PRO EEE O   
2014 C CB  . PRO B 133 ? 0.429 0.551 0.460 -0.108 -0.032 -0.010 463 PRO EEE CB  
2015 C CG  . PRO B 133 ? 0.435 0.581 0.516 -0.103 -0.051 -0.011 463 PRO EEE CG  
2016 C CD  . PRO B 133 ? 0.400 0.569 0.511 -0.090 -0.033 -0.015 463 PRO EEE CD  
2017 N N   . PHE B 134 ? 0.412 0.488 0.360 -0.092 0.005  -0.009 464 PHE EEE N   
2018 C CA  . PHE B 134 ? 0.444 0.503 0.368 -0.094 0.017  -0.007 464 PHE EEE CA  
2019 C C   . PHE B 134 ? 0.469 0.534 0.397 -0.089 0.029  -0.008 464 PHE EEE C   
2020 O O   . PHE B 134 ? 0.465 0.516 0.373 -0.096 0.037  -0.007 464 PHE EEE O   
2021 C CB  . PHE B 134 ? 0.469 0.524 0.388 -0.111 0.021  -0.007 464 PHE EEE CB  
2022 C CG  . PHE B 134 ? 0.485 0.523 0.391 -0.118 0.009  -0.005 464 PHE EEE CG  
2023 C CD1 . PHE B 134 ? 0.508 0.518 0.386 -0.112 0.005  -0.004 464 PHE EEE CD1 
2024 C CD2 . PHE B 134 ? 0.536 0.585 0.458 -0.132 0.003  -0.006 464 PHE EEE CD2 
2025 C CE1 . PHE B 134 ? 0.552 0.539 0.410 -0.119 -0.002 -0.004 464 PHE EEE CE1 
2026 C CE2 . PHE B 134 ? 0.566 0.593 0.468 -0.140 -0.011 -0.005 464 PHE EEE CE2 
2027 C CZ  . PHE B 134 ? 0.573 0.566 0.438 -0.133 -0.012 -0.005 464 PHE EEE CZ  
2028 N N   . GLU B 135 ? 0.409 0.490 0.356 -0.078 0.028  -0.011 465 GLU EEE N   
2029 C CA  . GLU B 135 ? 0.442 0.523 0.386 -0.072 0.038  -0.013 465 GLU EEE CA  
2030 C C   . GLU B 135 ? 0.432 0.490 0.353 -0.063 0.031  -0.008 465 GLU EEE C   
2031 O O   . GLU B 135 ? 0.398 0.450 0.317 -0.058 0.021  -0.005 465 GLU EEE O   
2032 C CB  . GLU B 135 ? 0.472 0.579 0.452 -0.063 0.040  -0.019 465 GLU EEE CB  
2033 C CG  . GLU B 135 ? 0.527 0.629 0.502 -0.058 0.053  -0.024 465 GLU EEE CG  
2034 C CD  . GLU B 135 ? 0.552 0.678 0.567 -0.048 0.058  -0.031 465 GLU EEE CD  
2035 O OE1 . GLU B 135 ? 0.480 0.628 0.534 -0.044 0.046  -0.031 465 GLU EEE OE1 
2036 O OE2 . GLU B 135 ? 0.636 0.754 0.642 -0.044 0.071  -0.036 465 GLU EEE OE2 
2037 N N   . ARG B 136 ? 0.407 0.449 0.309 -0.064 0.035  -0.007 466 ARG EEE N   
2038 C CA  . ARG B 136 ? 0.421 0.441 0.310 -0.057 0.025  -0.001 466 ARG EEE CA  
2039 C C   . ARG B 136 ? 0.456 0.472 0.340 -0.052 0.027  -0.003 466 ARG EEE C   
2040 O O   . ARG B 136 ? 0.460 0.459 0.319 -0.061 0.033  -0.005 466 ARG EEE O   
2041 C CB  . ARG B 136 ? 0.446 0.441 0.316 -0.066 0.020  0.005  466 ARG EEE CB  
2042 C CG  . ARG B 136 ? 0.476 0.450 0.345 -0.060 0.007  0.012  466 ARG EEE CG  
2043 C CD  . ARG B 136 ? 0.463 0.411 0.317 -0.068 -0.002 0.018  466 ARG EEE CD  
2044 N NE  . ARG B 136 ? 0.460 0.387 0.324 -0.064 -0.018 0.026  466 ARG EEE NE  
2045 C CZ  . ARG B 136 ? 0.501 0.404 0.349 -0.067 -0.033 0.031  466 ARG EEE CZ  
2046 N NH1 . ARG B 136 ? 0.493 0.386 0.304 -0.075 -0.029 0.028  466 ARG EEE NH1 
2047 N NH2 . ARG B 136 ? 0.476 0.362 0.345 -0.063 -0.053 0.039  466 ARG EEE NH2 
2048 N N   . ASP B 137 ? 0.421 0.444 0.319 -0.040 0.021  -0.003 467 ASP EEE N   
2049 C CA  . ASP B 137 ? 0.463 0.482 0.358 -0.034 0.022  -0.006 467 ASP EEE CA  
2050 C C   . ASP B 137 ? 0.452 0.451 0.341 -0.031 0.009  0.001  467 ASP EEE C   
2051 O O   . ASP B 137 ? 0.378 0.382 0.285 -0.025 0.003  0.005  467 ASP EEE O   
2052 C CB  . ASP B 137 ? 0.431 0.473 0.352 -0.024 0.023  -0.011 467 ASP EEE CB  
2053 C CG  . ASP B 137 ? 0.496 0.532 0.415 -0.017 0.025  -0.015 467 ASP EEE CG  
2054 O OD1 . ASP B 137 ? 0.448 0.460 0.340 -0.021 0.025  -0.015 467 ASP EEE OD1 
2055 O OD2 . ASP B 137 ? 0.432 0.484 0.374 -0.008 0.025  -0.019 467 ASP EEE OD2 
2056 N N   . ILE B 138 ? 0.450 0.422 0.312 -0.037 0.003  0.003  468 ILE EEE N   
2057 C CA  . ILE B 138 ? 0.457 0.408 0.320 -0.036 -0.016 0.011  468 ILE EEE CA  
2058 C C   . ILE B 138 ? 0.474 0.411 0.322 -0.034 -0.020 0.009  468 ILE EEE C   
2059 O O   . ILE B 138 ? 0.497 0.410 0.338 -0.036 -0.038 0.015  468 ILE EEE O   
2060 C CB  . ILE B 138 ? 0.471 0.395 0.317 -0.047 -0.029 0.019  468 ILE EEE CB  
2061 C CG1 . ILE B 138 ? 0.557 0.455 0.354 -0.061 -0.024 0.016  468 ILE EEE CG1 
2062 C CG2 . ILE B 138 ? 0.481 0.417 0.350 -0.045 -0.027 0.022  468 ILE EEE CG2 
2063 C CD1 . ILE B 138 ? 0.663 0.524 0.420 -0.067 -0.034 0.016  468 ILE EEE CD1 
2064 N N   . SER B 139 ? 0.471 0.421 0.318 -0.029 -0.005 -0.001 469 SER EEE N   
2065 C CA  . SER B 139 ? 0.481 0.415 0.311 -0.026 -0.005 -0.006 469 SER EEE CA  
2066 C C   . SER B 139 ? 0.446 0.383 0.299 -0.017 -0.019 -0.000 469 SER EEE C   
2067 O O   . SER B 139 ? 0.411 0.370 0.296 -0.011 -0.020 0.004  469 SER EEE O   
2068 C CB  . SER B 139 ? 0.484 0.432 0.316 -0.022 0.017  -0.019 469 SER EEE CB  
2069 O OG  . SER B 139 ? 0.461 0.444 0.335 -0.011 0.019  -0.019 469 SER EEE OG  
2070 N N   . THR B 140 ? 0.469 0.381 0.304 -0.017 -0.028 -0.001 470 THR EEE N   
2071 C CA  . THR B 140 ? 0.483 0.394 0.340 -0.011 -0.043 0.005  470 THR EEE CA  
2072 C C   . THR B 140 ? 0.501 0.397 0.341 -0.006 -0.041 -0.002 470 THR EEE C   
2073 O O   . THR B 140 ? 0.584 0.459 0.420 -0.008 -0.059 0.003  470 THR EEE O   
2074 C CB  . THR B 140 ? 0.523 0.412 0.382 -0.019 -0.066 0.017  470 THR EEE CB  
2075 O OG1 . THR B 140 ? 0.567 0.416 0.377 -0.031 -0.076 0.015  470 THR EEE OG1 
2076 C CG2 . THR B 140 ? 0.513 0.419 0.400 -0.021 -0.067 0.023  470 THR EEE CG2 
2077 N N   . GLU B 141 ? 0.462 0.372 0.302 0.000  -0.022 -0.013 471 GLU EEE N   
2078 C CA  . GLU B 141 ? 0.503 0.400 0.334 0.007  -0.018 -0.022 471 GLU EEE CA  
2079 C C   . GLU B 141 ? 0.458 0.376 0.325 0.019  -0.024 -0.018 471 GLU EEE C   
2080 O O   . GLU B 141 ? 0.429 0.374 0.323 0.022  -0.022 -0.013 471 GLU EEE O   
2081 C CB  . GLU B 141 ? 0.604 0.502 0.425 0.009  0.007  -0.036 471 GLU EEE CB  
2082 C CG  . GLU B 141 ? 0.725 0.584 0.491 -0.005 0.016  -0.042 471 GLU EEE CG  
2083 C CD  . GLU B 141 ? 0.845 0.653 0.564 -0.012 -0.002 -0.040 471 GLU EEE CD  
2084 O OE1 . GLU B 141 ? 0.861 0.652 0.571 -0.006 0.002  -0.048 471 GLU EEE OE1 
2085 O OE2 . GLU B 141 ? 0.993 0.777 0.688 -0.025 -0.024 -0.029 471 GLU EEE OE2 
2086 N N   . ILE B 142 ? 0.459 0.359 0.321 0.024  -0.032 -0.019 472 ILE EEE N   
2087 C CA  . ILE B 142 ? 0.447 0.360 0.337 0.034  -0.037 -0.015 472 ILE EEE CA  
2088 C C   . ILE B 142 ? 0.447 0.389 0.362 0.043  -0.026 -0.021 472 ILE EEE C   
2089 O O   . ILE B 142 ? 0.417 0.361 0.332 0.046  -0.012 -0.033 472 ILE EEE O   
2090 C CB  . ILE B 142 ? 0.479 0.365 0.357 0.038  -0.045 -0.019 472 ILE EEE CB  
2091 C CG1 . ILE B 142 ? 0.508 0.366 0.366 0.027  -0.062 -0.011 472 ILE EEE CG1 
2092 C CG2 . ILE B 142 ? 0.492 0.387 0.393 0.048  -0.050 -0.015 472 ILE EEE CG2 
2093 C CD1 . ILE B 142 ? 0.540 0.365 0.379 0.029  -0.070 -0.015 472 ILE EEE CD1 
2094 N N   . TYR B 143 ? 0.418 0.376 0.353 0.045  -0.032 -0.013 473 TYR EEE N   
2095 C CA  . TYR B 143 ? 0.411 0.389 0.368 0.053  -0.031 -0.016 473 TYR EEE CA  
2096 C C   . TYR B 143 ? 0.451 0.419 0.419 0.065  -0.039 -0.019 473 TYR EEE C   
2097 O O   . TYR B 143 ? 0.430 0.381 0.389 0.064  -0.051 -0.011 473 TYR EEE O   
2098 C CB  . TYR B 143 ? 0.407 0.395 0.368 0.048  -0.037 -0.006 473 TYR EEE CB  
2099 C CG  . TYR B 143 ? 0.404 0.404 0.383 0.054  -0.044 -0.007 473 TYR EEE CG  
2100 C CD1 . TYR B 143 ? 0.412 0.434 0.412 0.055  -0.037 -0.014 473 TYR EEE CD1 
2101 C CD2 . TYR B 143 ? 0.419 0.405 0.393 0.056  -0.059 0.001  473 TYR EEE CD2 
2102 C CE1 . TYR B 143 ? 0.454 0.488 0.480 0.060  -0.049 -0.014 473 TYR EEE CE1 
2103 C CE2 . TYR B 143 ? 0.450 0.442 0.439 0.060  -0.072 0.002  473 TYR EEE CE2 
2104 C CZ  . TYR B 143 ? 0.452 0.469 0.470 0.062  -0.069 -0.005 473 TYR EEE CZ  
2105 O OH  . TYR B 143 ? 0.512 0.535 0.553 0.066  -0.088 -0.003 473 TYR EEE OH  
2106 N N   . GLN B 144 ? 0.400 0.438 0.332 0.044  -0.004 0.017  474 GLN EEE N   
2107 C CA  . GLN B 144 ? 0.416 0.449 0.363 0.051  0.001  0.021  474 GLN EEE CA  
2108 C C   . GLN B 144 ? 0.437 0.476 0.389 0.056  -0.005 0.033  474 GLN EEE C   
2109 O O   . GLN B 144 ? 0.420 0.472 0.378 0.058  -0.009 0.035  474 GLN EEE O   
2110 C CB  . GLN B 144 ? 0.436 0.472 0.394 0.052  0.009  0.014  474 GLN EEE CB  
2111 C CG  . GLN B 144 ? 0.446 0.473 0.421 0.059  0.016  0.015  474 GLN EEE CG  
2112 C CD  . GLN B 144 ? 0.472 0.503 0.461 0.062  0.024  0.009  474 GLN EEE CD  
2113 O OE1 . GLN B 144 ? 0.476 0.507 0.458 0.056  0.029  -0.001 474 GLN EEE OE1 
2114 N NE2 . GLN B 144 ? 0.479 0.513 0.489 0.071  0.026  0.015  474 GLN EEE NE2 
2115 N N   . ALA B 145 ? 0.431 0.462 0.380 0.058  -0.007 0.040  475 ALA EEE N   
2116 C CA  . ALA B 145 ? 0.450 0.486 0.398 0.061  -0.015 0.052  475 ALA EEE CA  
2117 C C   . ALA B 145 ? 0.482 0.520 0.449 0.070  -0.015 0.060  475 ALA EEE C   
2118 O O   . ALA B 145 ? 0.493 0.540 0.462 0.074  -0.023 0.070  475 ALA EEE O   
2119 C CB  . ALA B 145 ? 0.460 0.487 0.395 0.059  -0.017 0.057  475 ALA EEE CB  
2120 N N   . GLY B 146 ? 0.490 0.519 0.471 0.074  -0.006 0.056  476 GLY EEE N   
2121 C CA  . GLY B 146 ? 0.503 0.532 0.506 0.083  -0.004 0.063  476 GLY EEE CA  
2122 C C   . GLY B 146 ? 0.494 0.526 0.515 0.086  0.005  0.054  476 GLY EEE C   
2123 O O   . GLY B 146 ? 0.480 0.517 0.493 0.080  0.007  0.043  476 GLY EEE O   
2124 N N   . SER B 147 ? 0.480 0.506 0.523 0.094  0.011  0.057  477 SER EEE N   
2125 C CA  . SER B 147 ? 0.516 0.544 0.578 0.098  0.021  0.049  477 SER EEE CA  
2126 C C   . SER B 147 ? 0.525 0.538 0.580 0.092  0.034  0.034  477 SER EEE C   
2127 O O   . SER B 147 ? 0.523 0.538 0.586 0.091  0.042  0.023  477 SER EEE O   
2128 C CB  . SER B 147 ? 0.512 0.541 0.603 0.109  0.022  0.059  477 SER EEE CB  
2129 O OG  . SER B 147 ? 0.609 0.619 0.704 0.113  0.027  0.064  477 SER EEE OG  
2130 N N   . THR B 148 ? 0.518 0.516 0.561 0.088  0.035  0.033  478 THR EEE N   
2131 C CA  . THR B 148 ? 0.526 0.509 0.564 0.082  0.047  0.019  478 THR EEE CA  
2132 C C   . THR B 148 ? 0.488 0.476 0.504 0.071  0.045  0.008  478 THR EEE C   
2133 O O   . THR B 148 ? 0.454 0.446 0.454 0.067  0.036  0.012  478 THR EEE O   
2134 C CB  . THR B 148 ? 0.571 0.536 0.606 0.081  0.049  0.022  478 THR EEE CB  
2135 O OG1 . THR B 148 ? 0.586 0.547 0.640 0.092  0.049  0.035  478 THR EEE OG1 
2136 C CG2 . THR B 148 ? 0.613 0.562 0.646 0.075  0.062  0.008  478 THR EEE CG2 
2137 N N   . PRO B 149 ? 0.507 0.494 0.521 0.066  0.053  -0.005 479 PRO EEE N   
2138 C CA  . PRO B 149 ? 0.512 0.504 0.505 0.056  0.051  -0.015 479 PRO EEE CA  
2139 C C   . PRO B 149 ? 0.472 0.453 0.450 0.049  0.049  -0.017 479 PRO EEE C   
2140 O O   . PRO B 149 ? 0.463 0.430 0.447 0.050  0.055  -0.019 479 PRO EEE O   
2141 C CB  . PRO B 149 ? 0.534 0.523 0.528 0.052  0.062  -0.028 479 PRO EEE CB  
2142 C CG  . PRO B 149 ? 0.588 0.570 0.607 0.061  0.073  -0.028 479 PRO EEE CG  
2143 C CD  . PRO B 149 ? 0.535 0.518 0.568 0.071  0.066  -0.012 479 PRO EEE CD  
2144 N N   . CYS B 150 ? 0.466 0.454 0.426 0.042  0.040  -0.018 480 CYS EEE N   
2145 C CA  . CYS B 150 ? 0.489 0.470 0.437 0.035  0.037  -0.021 480 CYS EEE CA  
2146 C C   . CYS B 150 ? 0.495 0.469 0.435 0.026  0.044  -0.035 480 CYS EEE C   
2147 O O   . CYS B 150 ? 0.444 0.409 0.380 0.021  0.044  -0.039 480 CYS EEE O   
2148 C CB  . CYS B 150 ? 0.537 0.529 0.474 0.033  0.026  -0.015 480 CYS EEE CB  
2149 S SG  . CYS B 150 ? 0.652 0.651 0.595 0.041  0.019  0.001  480 CYS EEE SG  
2150 N N   . ASN B 151 ? 0.504 0.483 0.440 0.024  0.048  -0.043 481 ASN EEE N   
2151 C CA  . ASN B 151 ? 0.516 0.488 0.440 0.014  0.053  -0.057 481 ASN EEE CA  
2152 C C   . ASN B 151 ? 0.479 0.451 0.388 0.005  0.045  -0.059 481 ASN EEE C   
2153 O O   . ASN B 151 ? 0.502 0.466 0.409 -0.001 0.048  -0.068 481 ASN EEE O   
2154 C CB  . ASN B 151 ? 0.567 0.523 0.503 0.015  0.066  -0.065 481 ASN EEE CB  
2155 C CG  . ASN B 151 ? 0.643 0.599 0.595 0.023  0.076  -0.065 481 ASN EEE CG  
2156 O OD1 . ASN B 151 ? 0.742 0.709 0.690 0.024  0.075  -0.064 481 ASN EEE OD1 
2157 N ND2 . ASN B 151 ? 0.702 0.647 0.672 0.029  0.085  -0.064 481 ASN EEE ND2 
2158 N N   . GLY B 152 ? 0.473 0.457 0.376 0.005  0.034  -0.051 482 GLY EEE N   
2159 C CA  . GLY B 152 ? 0.484 0.472 0.375 -0.002 0.025  -0.052 482 GLY EEE CA  
2160 C C   . GLY B 152 ? 0.451 0.433 0.349 -0.002 0.023  -0.049 482 GLY EEE C   
2161 O O   . GLY B 152 ? 0.427 0.412 0.320 -0.009 0.016  -0.050 482 GLY EEE O   
2162 N N   . VAL B 153 ? 0.421 0.396 0.333 0.005  0.028  -0.043 483 VAL EEE N   
2163 C CA  . VAL B 153 ? 0.410 0.378 0.328 0.005  0.028  -0.039 483 VAL EEE CA  
2164 C C   . VAL B 153 ? 0.415 0.386 0.338 0.012  0.024  -0.026 483 VAL EEE C   
2165 O O   . VAL B 153 ? 0.428 0.398 0.358 0.020  0.027  -0.020 483 VAL EEE O   
2166 C CB  . VAL B 153 ? 0.426 0.379 0.353 0.004  0.038  -0.045 483 VAL EEE CB  
2167 C CG1 . VAL B 153 ? 0.419 0.365 0.352 0.003  0.039  -0.042 483 VAL EEE CG1 
2168 C CG2 . VAL B 153 ? 0.445 0.393 0.364 -0.005 0.042  -0.060 483 VAL EEE CG2 
2169 N N   . GLU B 154 ? 0.398 0.373 0.318 0.010  0.018  -0.022 484 GLU EEE N   
2170 C CA  . GLU B 154 ? 0.414 0.391 0.336 0.016  0.016  -0.010 484 GLU EEE CA  
2171 C C   . GLU B 154 ? 0.423 0.385 0.353 0.018  0.023  -0.006 484 GLU EEE C   
2172 O O   . GLU B 154 ? 0.417 0.370 0.352 0.013  0.028  -0.013 484 GLU EEE O   
2173 C CB  . GLU B 154 ? 0.404 0.388 0.320 0.012  0.009  -0.008 484 GLU EEE CB  
2174 C CG  . GLU B 154 ? 0.408 0.405 0.316 0.010  0.002  -0.009 484 GLU EEE CG  
2175 C CD  . GLU B 154 ? 0.415 0.419 0.321 0.007  -0.004 -0.008 484 GLU EEE CD  
2176 O OE1 . GLU B 154 ? 0.411 0.413 0.319 0.007  -0.003 -0.003 484 GLU EEE OE1 
2177 O OE2 . GLU B 154 ? 0.378 0.390 0.279 0.003  -0.009 -0.011 484 GLU EEE OE2 
2178 N N   . GLY B 155 ? 0.419 0.380 0.351 0.025  0.022  0.005  485 GLY EEE N   
2179 C CA  . GLY B 155 ? 0.438 0.385 0.377 0.028  0.028  0.011  485 GLY EEE CA  
2180 C C   . GLY B 155 ? 0.421 0.372 0.361 0.037  0.025  0.024  485 GLY EEE C   
2181 O O   . GLY B 155 ? 0.398 0.361 0.330 0.037  0.017  0.028  485 GLY EEE O   
2182 N N   . PHE B 156 ? 0.474 0.413 0.422 0.043  0.030  0.031  486 PHE EEE N   
2183 C CA  . PHE B 156 ? 0.488 0.430 0.437 0.051  0.025  0.045  486 PHE EEE CA  
2184 C C   . PHE B 156 ? 0.453 0.411 0.404 0.054  0.019  0.044  486 PHE EEE C   
2185 O O   . PHE B 156 ? 0.451 0.410 0.411 0.055  0.024  0.035  486 PHE EEE O   
2186 C CB  . PHE B 156 ? 0.575 0.504 0.539 0.058  0.031  0.052  486 PHE EEE CB  
2187 C CG  . PHE B 156 ? 0.636 0.568 0.599 0.066  0.025  0.068  486 PHE EEE CG  
2188 C CD1 . PHE B 156 ? 0.760 0.694 0.708 0.063  0.019  0.077  486 PHE EEE CD1 
2189 C CD2 . PHE B 156 ? 0.772 0.707 0.750 0.075  0.024  0.074  486 PHE EEE CD2 
2190 C CE1 . PHE B 156 ? 0.837 0.775 0.782 0.069  0.011  0.092  486 PHE EEE CE1 
2191 C CE2 . PHE B 156 ? 0.761 0.701 0.740 0.081  0.016  0.089  486 PHE EEE CE2 
2192 C CZ  . PHE B 156 ? 0.789 0.731 0.750 0.078  0.009  0.098  486 PHE EEE CZ  
2193 N N   . ASN B 157 ? 0.411 0.381 0.354 0.055  0.011  0.051  487 ASN EEE N   
2194 C CA  . ASN B 157 ? 0.443 0.428 0.386 0.057  0.005  0.050  487 ASN EEE CA  
2195 C C   . ASN B 157 ? 0.443 0.435 0.385 0.052  0.006  0.037  487 ASN EEE C   
2196 O O   . ASN B 157 ? 0.445 0.446 0.392 0.055  0.005  0.035  487 ASN EEE O   
2197 C CB  . ASN B 157 ? 0.488 0.474 0.449 0.066  0.006  0.057  487 ASN EEE CB  
2198 C CG  . ASN B 157 ? 0.558 0.544 0.517 0.071  -0.001 0.072  487 ASN EEE CG  
2199 O OD1 . ASN B 157 ? 0.607 0.598 0.551 0.068  -0.007 0.077  487 ASN EEE OD1 
2200 N ND2 . ASN B 157 ? 0.644 0.627 0.620 0.080  0.001  0.080  487 ASN EEE ND2 
2201 N N   . CYS B 158 ? 0.411 0.399 0.345 0.045  0.008  0.029  488 CYS EEE N   
2202 C CA  . CYS B 158 ? 0.410 0.403 0.339 0.039  0.008  0.018  488 CYS EEE CA  
2203 C C   . CYS B 158 ? 0.385 0.381 0.303 0.033  0.004  0.017  488 CYS EEE C   
2204 O O   . CYS B 158 ? 0.397 0.385 0.315 0.029  0.007  0.013  488 CYS EEE O   
2205 C CB  . CYS B 158 ? 0.428 0.412 0.364 0.037  0.016  0.009  488 CYS EEE CB  
2206 S SG  . CYS B 158 ? 0.468 0.450 0.419 0.045  0.023  0.008  488 CYS EEE SG  
2207 N N   . TYR B 159 ? 0.365 0.372 0.276 0.032  -0.002 0.019  489 TYR EEE N   
2208 C CA  . TYR B 159 ? 0.377 0.386 0.280 0.027  -0.006 0.020  489 TYR EEE CA  
2209 C C   . TYR B 159 ? 0.372 0.389 0.270 0.023  -0.009 0.014  489 TYR EEE C   
2210 O O   . TYR B 159 ? 0.394 0.418 0.292 0.025  -0.011 0.012  489 TYR EEE O   
2211 C CB  . TYR B 159 ? 0.394 0.406 0.292 0.030  -0.009 0.029  489 TYR EEE CB  
2212 C CG  . TYR B 159 ? 0.441 0.445 0.341 0.034  -0.007 0.037  489 TYR EEE CG  
2213 C CD1 . TYR B 159 ? 0.475 0.467 0.379 0.033  -0.001 0.037  489 TYR EEE CD1 
2214 C CD2 . TYR B 159 ? 0.471 0.479 0.372 0.039  -0.011 0.045  489 TYR EEE CD2 
2215 C CE1 . TYR B 159 ? 0.510 0.493 0.416 0.037  0.001  0.046  489 TYR EEE CE1 
2216 C CE2 . TYR B 159 ? 0.509 0.509 0.413 0.044  -0.009 0.054  489 TYR EEE CE2 
2217 C CZ  . TYR B 159 ? 0.527 0.514 0.433 0.043  -0.003 0.055  489 TYR EEE CZ  
2218 O OH  . TYR B 159 ? 0.598 0.575 0.507 0.047  -0.001 0.064  489 TYR EEE OH  
2219 N N   . PHE B 160 ? 0.354 0.372 0.250 0.019  -0.011 0.011  490 PHE EEE N   
2220 C CA  . PHE B 160 ? 0.365 0.391 0.257 0.015  -0.015 0.008  490 PHE EEE CA  
2221 C C   . PHE B 160 ? 0.369 0.401 0.256 0.017  -0.019 0.013  490 PHE EEE C   
2222 O O   . PHE B 160 ? 0.392 0.422 0.277 0.018  -0.018 0.018  490 PHE EEE O   
2223 C CB  . PHE B 160 ? 0.369 0.395 0.263 0.010  -0.016 0.005  490 PHE EEE CB  
2224 C CG  . PHE B 160 ? 0.375 0.407 0.265 0.007  -0.022 0.002  490 PHE EEE CG  
2225 C CD1 . PHE B 160 ? 0.390 0.423 0.277 0.005  -0.022 -0.004 490 PHE EEE CD1 
2226 C CD2 . PHE B 160 ? 0.389 0.426 0.279 0.006  -0.025 0.004  490 PHE EEE CD2 
2227 C CE1 . PHE B 160 ? 0.403 0.442 0.285 0.002  -0.028 -0.005 490 PHE EEE CE1 
2228 C CE2 . PHE B 160 ? 0.420 0.463 0.307 0.004  -0.030 0.003  490 PHE EEE CE2 
2229 C CZ  . PHE B 160 ? 0.388 0.432 0.271 0.002  -0.032 -0.001 490 PHE EEE CZ  
2230 N N   . PRO B 161 ? 0.370 0.409 0.254 0.017  -0.022 0.012  491 PRO EEE N   
2231 C CA  . PRO B 161 ? 0.384 0.429 0.264 0.018  -0.024 0.017  491 PRO EEE CA  
2232 C C   . PRO B 161 ? 0.388 0.433 0.263 0.015  -0.026 0.017  491 PRO EEE C   
2233 O O   . PRO B 161 ? 0.399 0.447 0.271 0.016  -0.027 0.020  491 PRO EEE O   
2234 C CB  . PRO B 161 ? 0.389 0.440 0.268 0.018  -0.026 0.014  491 PRO EEE CB  
2235 C CG  . PRO B 161 ? 0.380 0.430 0.259 0.015  -0.025 0.009  491 PRO EEE CG  
2236 C CD  . PRO B 161 ? 0.394 0.436 0.277 0.015  -0.022 0.007  491 PRO EEE CD  
2237 N N   . LEU B 162 ? 0.377 0.421 0.255 0.012  -0.026 0.015  492 LEU EEE N   
2238 C CA  . LEU B 162 ? 0.388 0.433 0.266 0.010  -0.026 0.015  492 LEU EEE CA  
2239 C C   . LEU B 162 ? 0.374 0.414 0.256 0.009  -0.022 0.016  492 LEU EEE C   
2240 O O   . LEU B 162 ? 0.375 0.410 0.261 0.009  -0.021 0.015  492 LEU EEE O   
2241 C CB  . LEU B 162 ? 0.391 0.439 0.272 0.008  -0.030 0.013  492 LEU EEE CB  
2242 C CG  . LEU B 162 ? 0.400 0.452 0.276 0.008  -0.033 0.012  492 LEU EEE CG  
2243 C CD1 . LEU B 162 ? 0.429 0.483 0.306 0.006  -0.036 0.012  492 LEU EEE CD1 
2244 C CD2 . LEU B 162 ? 0.390 0.445 0.262 0.009  -0.032 0.014  492 LEU EEE CD2 
2245 N N   . GLN B 163 ? 0.401 0.439 0.281 0.008  -0.020 0.017  493 GLN EEE N   
2246 C CA  . GLN B 163 ? 0.375 0.407 0.256 0.007  -0.015 0.017  493 GLN EEE CA  
2247 C C   . GLN B 163 ? 0.388 0.422 0.275 0.005  -0.013 0.015  493 GLN EEE C   
2248 O O   . GLN B 163 ? 0.370 0.406 0.251 0.004  -0.014 0.015  493 GLN EEE O   
2249 C CB  . GLN B 163 ? 0.403 0.432 0.274 0.007  -0.012 0.021  493 GLN EEE CB  
2250 C CG  . GLN B 163 ? 0.395 0.417 0.265 0.005  -0.005 0.022  493 GLN EEE CG  
2251 C CD  . GLN B 163 ? 0.420 0.437 0.299 0.004  -0.002 0.021  493 GLN EEE CD  
2252 O OE1 . GLN B 163 ? 0.396 0.411 0.276 0.006  -0.003 0.022  493 GLN EEE OE1 
2253 N NE2 . GLN B 163 ? 0.438 0.453 0.324 0.002  0.004  0.019  493 GLN EEE NE2 
2254 N N   . SER B 164 ? 0.388 0.421 0.286 0.003  -0.010 0.013  494 SER EEE N   
2255 C CA  . SER B 164 ? 0.410 0.444 0.316 0.002  -0.006 0.012  494 SER EEE CA  
2256 C C   . SER B 164 ? 0.427 0.454 0.324 0.000  0.002  0.012  494 SER EEE C   
2257 O O   . SER B 164 ? 0.390 0.412 0.281 -0.001 0.006  0.013  494 SER EEE O   
2258 C CB  . SER B 164 ? 0.426 0.461 0.349 0.001  -0.005 0.010  494 SER EEE CB  
2259 O OG  . SER B 164 ? 0.554 0.586 0.480 0.000  -0.001 0.010  494 SER EEE OG  
2260 N N   . TYR B 165 ? 0.416 0.442 0.313 -0.001 0.005  0.010  495 TYR EEE N   
2261 C CA  . TYR B 165 ? 0.429 0.449 0.319 -0.004 0.014  0.008  495 TYR EEE CA  
2262 C C   . TYR B 165 ? 0.447 0.464 0.350 -0.006 0.023  0.006  495 TYR EEE C   
2263 O O   . TYR B 165 ? 0.419 0.430 0.314 -0.009 0.031  0.006  495 TYR EEE O   
2264 C CB  . TYR B 165 ? 0.430 0.450 0.318 -0.005 0.016  0.005  495 TYR EEE CB  
2265 C CG  . TYR B 165 ? 0.399 0.420 0.271 -0.006 0.010  0.006  495 TYR EEE CG  
2266 C CD1 . TYR B 165 ? 0.422 0.440 0.275 -0.009 0.011  0.007  495 TYR EEE CD1 
2267 C CD2 . TYR B 165 ? 0.405 0.431 0.280 -0.004 0.003  0.007  495 TYR EEE CD2 
2268 C CE1 . TYR B 165 ? 0.425 0.446 0.266 -0.010 0.006  0.008  495 TYR EEE CE1 
2269 C CE2 . TYR B 165 ? 0.431 0.460 0.295 -0.005 -0.001 0.007  495 TYR EEE CE2 
2270 C CZ  . TYR B 165 ? 0.439 0.466 0.286 -0.008 -0.000 0.008  495 TYR EEE CZ  
2271 O OH  . TYR B 165 ? 0.446 0.477 0.284 -0.010 -0.006 0.008  495 TYR EEE OH  
2272 N N   . GLY B 166 ? 0.428 0.451 0.353 -0.004 0.021  0.004  496 GLY EEE N   
2273 C CA  . GLY B 166 ? 0.474 0.496 0.416 -0.005 0.030  0.002  496 GLY EEE CA  
2274 C C   . GLY B 166 ? 0.515 0.530 0.456 -0.008 0.042  -0.002 496 GLY EEE C   
2275 O O   . GLY B 166 ? 0.572 0.583 0.517 -0.011 0.052  -0.004 496 GLY EEE O   
2276 N N   . PHE B 167 ? 0.461 0.475 0.400 -0.008 0.043  -0.004 497 PHE EEE N   
2277 C CA  . PHE B 167 ? 0.418 0.426 0.356 -0.011 0.056  -0.009 497 PHE EEE CA  
2278 C C   . PHE B 167 ? 0.443 0.450 0.405 -0.011 0.066  -0.012 497 PHE EEE C   
2279 O O   . PHE B 167 ? 0.412 0.428 0.401 -0.007 0.062  -0.011 497 PHE EEE O   
2280 C CB  . PHE B 167 ? 0.400 0.407 0.339 -0.009 0.053  -0.011 497 PHE EEE CB  
2281 C CG  . PHE B 167 ? 0.393 0.400 0.310 -0.010 0.044  -0.008 497 PHE EEE CG  
2282 C CD1 . PHE B 167 ? 0.424 0.426 0.316 -0.015 0.047  -0.010 497 PHE EEE CD1 
2283 C CD2 . PHE B 167 ? 0.386 0.400 0.309 -0.006 0.033  -0.005 497 PHE EEE CD2 
2284 C CE1 . PHE B 167 ? 0.405 0.409 0.281 -0.015 0.039  -0.008 497 PHE EEE CE1 
2285 C CE2 . PHE B 167 ? 0.393 0.407 0.298 -0.007 0.026  -0.004 497 PHE EEE CE2 
2286 C CZ  . PHE B 167 ? 0.398 0.409 0.281 -0.011 0.029  -0.005 497 PHE EEE CZ  
2287 N N   . GLN B 168 ? 0.484 0.483 0.437 -0.016 0.080  -0.016 498 GLN EEE N   
2288 C CA  . GLN B 168 ? 0.503 0.501 0.478 -0.017 0.094  -0.020 498 GLN EEE CA  
2289 C C   . GLN B 168 ? 0.540 0.528 0.504 -0.022 0.108  -0.027 498 GLN EEE C   
2290 O O   . GLN B 168 ? 0.479 0.461 0.413 -0.026 0.108  -0.028 498 GLN EEE O   
2291 C CB  . GLN B 168 ? 0.564 0.561 0.538 -0.021 0.099  -0.019 498 GLN EEE CB  
2292 C CG  . GLN B 168 ? 0.601 0.606 0.583 -0.018 0.086  -0.014 498 GLN EEE CG  
2293 C CD  . GLN B 168 ? 0.686 0.687 0.666 -0.021 0.093  -0.013 498 GLN EEE CD  
2294 O OE1 . GLN B 168 ? 0.735 0.730 0.692 -0.023 0.091  -0.009 498 GLN EEE OE1 
2295 N NE2 . GLN B 168 ? 0.701 0.705 0.707 -0.023 0.103  -0.016 498 GLN EEE NE2 
2296 N N   . PRO B 169 ? 0.518 0.506 0.508 -0.021 0.120  -0.033 499 PRO EEE N   
2297 C CA  . PRO B 169 ? 0.573 0.551 0.556 -0.025 0.134  -0.040 499 PRO EEE CA  
2298 C C   . PRO B 169 ? 0.561 0.527 0.513 -0.034 0.147  -0.045 499 PRO EEE C   
2299 O O   . PRO B 169 ? 0.578 0.535 0.510 -0.039 0.154  -0.050 499 PRO EEE O   
2300 C CB  . PRO B 169 ? 0.586 0.567 0.609 -0.022 0.145  -0.044 499 PRO EEE CB  
2301 C CG  . PRO B 169 ? 0.561 0.556 0.612 -0.015 0.133  -0.038 499 PRO EEE CG  
2302 C CD  . PRO B 169 ? 0.551 0.549 0.579 -0.016 0.120  -0.031 499 PRO EEE CD  
2303 N N   . THR B 170 ? 0.520 0.486 0.467 -0.036 0.149  -0.042 500 THR EEE N   
2304 C CA  . THR B 170 ? 0.574 0.529 0.492 -0.045 0.162  -0.044 500 THR EEE CA  
2305 C C   . THR B 170 ? 0.549 0.500 0.428 -0.047 0.150  -0.038 500 THR EEE C   
2306 O O   . THR B 170 ? 0.578 0.520 0.430 -0.055 0.158  -0.039 500 THR EEE O   
2307 C CB  . THR B 170 ? 0.593 0.549 0.524 -0.046 0.169  -0.042 500 THR EEE CB  
2308 O OG1 . THR B 170 ? 0.630 0.596 0.570 -0.041 0.152  -0.034 500 THR EEE OG1 
2309 C CG2 . THR B 170 ? 0.587 0.545 0.554 -0.045 0.184  -0.048 500 THR EEE CG2 
2310 N N   . ASN B 171 ? 0.519 0.478 0.398 -0.042 0.132  -0.033 501 ASN EEE N   
2311 C CA  . ASN B 171 ? 0.543 0.501 0.389 -0.044 0.120  -0.027 501 ASN EEE CA  
2312 C C   . ASN B 171 ? 0.562 0.510 0.378 -0.052 0.128  -0.033 501 ASN EEE C   
2313 O O   . ASN B 171 ? 0.537 0.482 0.362 -0.054 0.138  -0.041 501 ASN EEE O   
2314 C CB  . ASN B 171 ? 0.497 0.465 0.349 -0.038 0.103  -0.023 501 ASN EEE CB  
2315 C CG  . ASN B 171 ? 0.491 0.467 0.362 -0.031 0.092  -0.016 501 ASN EEE CG  
2316 O OD1 . ASN B 171 ? 0.485 0.460 0.364 -0.031 0.097  -0.014 501 ASN EEE OD1 
2317 N ND2 . ASN B 171 ? 0.465 0.449 0.342 -0.026 0.079  -0.013 501 ASN EEE ND2 
2318 N N   . GLY B 172 ? 0.558 0.502 0.341 -0.057 0.124  -0.028 502 GLY EEE N   
2319 C CA  . GLY B 172 ? 0.588 0.525 0.340 -0.065 0.126  -0.032 502 GLY EEE CA  
2320 C C   . GLY B 172 ? 0.586 0.529 0.341 -0.063 0.115  -0.034 502 GLY EEE C   
2321 O O   . GLY B 172 ? 0.523 0.476 0.299 -0.054 0.103  -0.030 502 GLY EEE O   
2322 N N   . VAL B 173 ? 0.569 0.507 0.305 -0.070 0.119  -0.042 503 VAL EEE N   
2323 C CA  . VAL B 173 ? 0.587 0.530 0.332 -0.068 0.112  -0.046 503 VAL EEE CA  
2324 C C   . VAL B 173 ? 0.576 0.530 0.316 -0.064 0.092  -0.037 503 VAL EEE C   
2325 O O   . VAL B 173 ? 0.542 0.503 0.301 -0.058 0.084  -0.037 503 VAL EEE O   
2326 C CB  . VAL B 173 ? 0.652 0.585 0.377 -0.079 0.122  -0.057 503 VAL EEE CB  
2327 C CG1 . VAL B 173 ? 0.685 0.614 0.368 -0.088 0.119  -0.056 503 VAL EEE CG1 
2328 C CG2 . VAL B 173 ? 0.648 0.584 0.383 -0.077 0.117  -0.062 503 VAL EEE CG2 
2329 N N   . GLY B 174 ? 0.539 0.495 0.258 -0.065 0.083  -0.029 504 GLY EEE N   
2330 C CA  . GLY B 174 ? 0.533 0.499 0.250 -0.060 0.065  -0.020 504 GLY EEE CA  
2331 C C   . GLY B 174 ? 0.488 0.462 0.234 -0.050 0.059  -0.014 504 GLY EEE C   
2332 O O   . GLY B 174 ? 0.494 0.477 0.245 -0.045 0.046  -0.010 504 GLY EEE O   
2333 N N   . TYR B 175 ? 0.499 0.470 0.263 -0.047 0.068  -0.015 505 TYR EEE N   
2334 C CA  . TYR B 175 ? 0.475 0.452 0.265 -0.038 0.063  -0.011 505 TYR EEE CA  
2335 C C   . TYR B 175 ? 0.458 0.437 0.275 -0.035 0.068  -0.017 505 TYR EEE C   
2336 O O   . TYR B 175 ? 0.452 0.437 0.291 -0.029 0.064  -0.013 505 TYR EEE O   
2337 C CB  . TYR B 175 ? 0.506 0.480 0.297 -0.037 0.067  -0.006 505 TYR EEE CB  
2338 C CG  . TYR B 175 ? 0.514 0.488 0.285 -0.037 0.058  0.003  505 TYR EEE CG  
2339 C CD1 . TYR B 175 ? 0.496 0.478 0.276 -0.031 0.046  0.009  505 TYR EEE CD1 
2340 C CD2 . TYR B 175 ? 0.564 0.531 0.308 -0.044 0.063  0.004  505 TYR EEE CD2 
2341 C CE1 . TYR B 175 ? 0.539 0.521 0.304 -0.030 0.039  0.018  505 TYR EEE CE1 
2342 C CE2 . TYR B 175 ? 0.589 0.556 0.316 -0.044 0.054  0.014  505 TYR EEE CE2 
2343 C CZ  . TYR B 175 ? 0.587 0.562 0.326 -0.036 0.042  0.021  505 TYR EEE CZ  
2344 O OH  . TYR B 175 ? 0.584 0.559 0.311 -0.034 0.033  0.031  505 TYR EEE OH  
2345 N N   . GLN B 176 ? 0.465 0.439 0.281 -0.039 0.077  -0.024 506 GLN EEE N   
2346 C CA  . GLN B 176 ? 0.460 0.434 0.303 -0.035 0.081  -0.029 506 GLN EEE CA  
2347 C C   . GLN B 176 ? 0.448 0.429 0.295 -0.032 0.069  -0.027 506 GLN EEE C   
2348 O O   . GLN B 176 ? 0.454 0.437 0.283 -0.034 0.061  -0.025 506 GLN EEE O   
2349 C CB  . GLN B 176 ? 0.477 0.441 0.318 -0.041 0.097  -0.039 506 GLN EEE CB  
2350 C CG  . GLN B 176 ? 0.494 0.452 0.340 -0.044 0.112  -0.042 506 GLN EEE CG  
2351 C CD  . GLN B 176 ? 0.525 0.472 0.365 -0.051 0.129  -0.053 506 GLN EEE CD  
2352 O OE1 . GLN B 176 ? 0.506 0.451 0.353 -0.051 0.132  -0.058 506 GLN EEE OE1 
2353 N NE2 . GLN B 176 ? 0.551 0.490 0.378 -0.057 0.142  -0.056 506 GLN EEE NE2 
2354 N N   . PRO B 177 ? 0.437 0.422 0.310 -0.026 0.067  -0.026 507 PRO EEE N   
2355 C CA  . PRO B 177 ? 0.421 0.411 0.299 -0.023 0.056  -0.023 507 PRO EEE CA  
2356 C C   . PRO B 177 ? 0.418 0.401 0.288 -0.027 0.062  -0.029 507 PRO EEE C   
2357 O O   . PRO B 177 ? 0.425 0.400 0.299 -0.030 0.074  -0.036 507 PRO EEE O   
2358 C CB  . PRO B 177 ? 0.409 0.404 0.316 -0.015 0.054  -0.019 507 PRO EEE CB  
2359 C CG  . PRO B 177 ? 0.430 0.420 0.352 -0.016 0.066  -0.023 507 PRO EEE CG  
2360 C CD  . PRO B 177 ? 0.426 0.412 0.327 -0.022 0.074  -0.026 507 PRO EEE CD  
2361 N N   . TYR B 178 ? 0.415 0.402 0.273 -0.029 0.052  -0.028 508 TYR EEE N   
2362 C CA  . TYR B 178 ? 0.435 0.418 0.289 -0.033 0.054  -0.033 508 TYR EEE CA  
2363 C C   . TYR B 178 ? 0.422 0.410 0.289 -0.028 0.045  -0.028 508 TYR EEE C   
2364 O O   . TYR B 178 ? 0.417 0.414 0.282 -0.024 0.034  -0.021 508 TYR EEE O   
2365 C CB  . TYR B 178 ? 0.445 0.427 0.270 -0.041 0.052  -0.036 508 TYR EEE CB  
2366 C CG  . TYR B 178 ? 0.476 0.449 0.287 -0.048 0.065  -0.044 508 TYR EEE CG  
2367 C CD1 . TYR B 178 ? 0.475 0.447 0.284 -0.048 0.070  -0.042 508 TYR EEE CD1 
2368 C CD2 . TYR B 178 ? 0.501 0.465 0.300 -0.057 0.073  -0.053 508 TYR EEE CD2 
2369 C CE1 . TYR B 178 ? 0.490 0.451 0.283 -0.055 0.083  -0.049 508 TYR EEE CE1 
2370 C CE2 . TYR B 178 ? 0.532 0.487 0.316 -0.065 0.085  -0.061 508 TYR EEE CE2 
2371 C CZ  . TYR B 178 ? 0.528 0.481 0.309 -0.064 0.091  -0.059 508 TYR EEE CZ  
2372 O OH  . TYR B 178 ? 0.571 0.514 0.335 -0.072 0.105  -0.067 508 TYR EEE OH  
2373 N N   . ARG B 179 ? 0.432 0.414 0.313 -0.027 0.050  -0.030 509 ARG EEE N   
2374 C CA  . ARG B 179 ? 0.430 0.414 0.319 -0.024 0.043  -0.026 509 ARG EEE CA  
2375 C C   . ARG B 179 ? 0.438 0.421 0.309 -0.031 0.042  -0.030 509 ARG EEE C   
2376 O O   . ARG B 179 ? 0.447 0.424 0.306 -0.039 0.050  -0.039 509 ARG EEE O   
2377 C CB  . ARG B 179 ? 0.421 0.398 0.334 -0.020 0.050  -0.026 509 ARG EEE CB  
2378 C CG  . ARG B 179 ? 0.414 0.396 0.346 -0.012 0.046  -0.019 509 ARG EEE CG  
2379 C CD  . ARG B 179 ? 0.440 0.417 0.400 -0.008 0.053  -0.018 509 ARG EEE CD  
2380 N NE  . ARG B 179 ? 0.445 0.430 0.422 -0.001 0.047  -0.011 509 ARG EEE NE  
2381 C CZ  . ARG B 179 ? 0.456 0.441 0.458 0.005  0.045  -0.005 509 ARG EEE CZ  
2382 N NH1 . ARG B 179 ? 0.449 0.426 0.461 0.007  0.048  -0.004 509 ARG EEE NH1 
2383 N NH2 . ARG B 179 ? 0.455 0.450 0.471 0.010  0.038  0.001  509 ARG EEE NH2 
2384 N N   . VAL B 180 ? 0.408 0.400 0.277 -0.030 0.031  -0.025 510 VAL EEE N   
2385 C CA  . VAL B 180 ? 0.428 0.422 0.283 -0.037 0.028  -0.028 510 VAL EEE CA  
2386 C C   . VAL B 180 ? 0.441 0.434 0.306 -0.035 0.025  -0.025 510 VAL EEE C   
2387 O O   . VAL B 180 ? 0.420 0.417 0.295 -0.028 0.019  -0.017 510 VAL EEE O   
2388 C CB  . VAL B 180 ? 0.426 0.431 0.266 -0.037 0.018  -0.024 510 VAL EEE CB  
2389 C CG1 . VAL B 180 ? 0.446 0.457 0.277 -0.043 0.013  -0.027 510 VAL EEE CG1 
2390 C CG2 . VAL B 180 ? 0.450 0.455 0.279 -0.039 0.020  -0.026 510 VAL EEE CG2 
2391 N N   . VAL B 181 ? 0.425 0.413 0.286 -0.042 0.029  -0.031 511 VAL EEE N   
2392 C CA  . VAL B 181 ? 0.418 0.404 0.285 -0.042 0.027  -0.028 511 VAL EEE CA  
2393 C C   . VAL B 181 ? 0.420 0.413 0.273 -0.051 0.023  -0.033 511 VAL EEE C   
2394 O O   . VAL B 181 ? 0.445 0.434 0.287 -0.059 0.028  -0.041 511 VAL EEE O   
2395 C CB  . VAL B 181 ? 0.436 0.408 0.317 -0.042 0.037  -0.030 511 VAL EEE CB  
2396 C CG1 . VAL B 181 ? 0.442 0.410 0.327 -0.044 0.036  -0.028 511 VAL EEE CG1 
2397 C CG2 . VAL B 181 ? 0.413 0.381 0.311 -0.033 0.039  -0.024 511 VAL EEE CG2 
2398 N N   . VAL B 182 ? 0.396 0.398 0.249 -0.050 0.015  -0.027 512 VAL EEE N   
2399 C CA  . VAL B 182 ? 0.416 0.426 0.260 -0.057 0.011  -0.031 512 VAL EEE CA  
2400 C C   . VAL B 182 ? 0.460 0.464 0.313 -0.059 0.014  -0.030 512 VAL EEE C   
2401 O O   . VAL B 182 ? 0.429 0.434 0.291 -0.053 0.012  -0.022 512 VAL EEE O   
2402 C CB  . VAL B 182 ? 0.442 0.468 0.282 -0.054 0.001  -0.025 512 VAL EEE CB  
2403 C CG1 . VAL B 182 ? 0.456 0.492 0.292 -0.061 -0.004 -0.028 512 VAL EEE CG1 
2404 C CG2 . VAL B 182 ? 0.469 0.499 0.302 -0.051 -0.002 -0.025 512 VAL EEE CG2 
2405 N N   . LEU B 183 ? 0.445 0.444 0.295 -0.069 0.019  -0.038 513 LEU EEE N   
2406 C CA  . LEU B 183 ? 0.450 0.444 0.308 -0.072 0.023  -0.038 513 LEU EEE CA  
2407 C C   . LEU B 183 ? 0.464 0.471 0.317 -0.078 0.016  -0.038 513 LEU EEE C   
2408 O O   . LEU B 183 ? 0.478 0.494 0.322 -0.085 0.012  -0.045 513 LEU EEE O   
2409 C CB  . LEU B 183 ? 0.468 0.446 0.327 -0.080 0.034  -0.047 513 LEU EEE CB  
2410 C CG  . LEU B 183 ? 0.504 0.467 0.370 -0.074 0.042  -0.047 513 LEU EEE CG  
2411 C CD1 . LEU B 183 ? 0.512 0.458 0.380 -0.082 0.054  -0.058 513 LEU EEE CD1 
2412 C CD2 . LEU B 183 ? 0.513 0.472 0.394 -0.063 0.041  -0.036 513 LEU EEE CD2 
2413 N N   . SER B 184 ? 0.449 0.460 0.310 -0.076 0.014  -0.032 514 SER EEE N   
2414 C CA  . SER B 184 ? 0.474 0.498 0.335 -0.082 0.009  -0.033 514 SER EEE CA  
2415 C C   . SER B 184 ? 0.454 0.468 0.322 -0.085 0.016  -0.031 514 SER EEE C   
2416 O O   . SER B 184 ? 0.446 0.444 0.319 -0.082 0.022  -0.028 514 SER EEE O   
2417 C CB  . SER B 184 ? 0.436 0.475 0.297 -0.075 0.001  -0.026 514 SER EEE CB  
2418 O OG  . SER B 184 ? 0.471 0.505 0.335 -0.067 0.002  -0.018 514 SER EEE OG  
2419 N N   . PHE B 185 ? 0.441 0.463 0.311 -0.093 0.015  -0.035 515 PHE EEE N   
2420 C CA  . PHE B 185 ? 0.505 0.517 0.381 -0.101 0.023  -0.037 515 PHE EEE CA  
2421 C C   . PHE B 185 ? 0.523 0.547 0.405 -0.102 0.021  -0.032 515 PHE EEE C   
2422 O O   . PHE B 185 ? 0.549 0.592 0.431 -0.103 0.014  -0.033 515 PHE EEE O   
2423 C CB  . PHE B 185 ? 0.504 0.514 0.378 -0.113 0.027  -0.049 515 PHE EEE CB  
2424 C CG  . PHE B 185 ? 0.517 0.513 0.386 -0.112 0.031  -0.054 515 PHE EEE CG  
2425 C CD1 . PHE B 185 ? 0.530 0.505 0.404 -0.110 0.041  -0.054 515 PHE EEE CD1 
2426 C CD2 . PHE B 185 ? 0.527 0.531 0.385 -0.111 0.026  -0.058 515 PHE EEE CD2 
2427 C CE1 . PHE B 185 ? 0.523 0.486 0.394 -0.108 0.047  -0.059 515 PHE EEE CE1 
2428 C CE2 . PHE B 185 ? 0.545 0.537 0.398 -0.109 0.031  -0.063 515 PHE EEE CE2 
2429 C CZ  . PHE B 185 ? 0.547 0.519 0.407 -0.108 0.042  -0.063 515 PHE EEE CZ  
2430 N N   . GLU B 186 ? 0.502 0.513 0.387 -0.102 0.027  -0.027 516 GLU EEE N   
2431 C CA  . GLU B 186 ? 0.479 0.499 0.368 -0.104 0.027  -0.022 516 GLU EEE CA  
2432 C C   . GLU B 186 ? 0.475 0.484 0.370 -0.113 0.036  -0.024 516 GLU EEE C   
2433 O O   . GLU B 186 ? 0.483 0.472 0.378 -0.113 0.043  -0.021 516 GLU EEE O   
2434 C CB  . GLU B 186 ? 0.465 0.484 0.351 -0.094 0.025  -0.011 516 GLU EEE CB  
2435 C CG  . GLU B 186 ? 0.497 0.522 0.384 -0.095 0.027  -0.006 516 GLU EEE CG  
2436 C CD  . GLU B 186 ? 0.483 0.507 0.363 -0.086 0.024  0.004  516 GLU EEE CD  
2437 O OE1 . GLU B 186 ? 0.507 0.515 0.384 -0.083 0.027  0.012  516 GLU EEE OE1 
2438 O OE2 . GLU B 186 ? 0.478 0.517 0.357 -0.083 0.019  0.004  516 GLU EEE OE2 
2439 N N   . LEU B 187 ? 0.469 0.492 0.370 -0.121 0.037  -0.028 517 LEU EEE N   
2440 C CA  . LEU B 187 ? 0.523 0.538 0.430 -0.132 0.046  -0.030 517 LEU EEE CA  
2441 C C   . LEU B 187 ? 0.519 0.542 0.428 -0.131 0.047  -0.023 517 LEU EEE C   
2442 O O   . LEU B 187 ? 0.514 0.558 0.428 -0.131 0.042  -0.025 517 LEU EEE O   
2443 C CB  . LEU B 187 ? 0.607 0.632 0.519 -0.143 0.044  -0.043 517 LEU EEE CB  
2444 C CG  . LEU B 187 ? 0.734 0.745 0.651 -0.156 0.054  -0.050 517 LEU EEE CG  
2445 C CD1 . LEU B 187 ? 0.759 0.742 0.674 -0.152 0.064  -0.044 517 LEU EEE CD1 
2446 C CD2 . LEU B 187 ? 0.778 0.794 0.694 -0.165 0.051  -0.064 517 LEU EEE CD2 
2447 N N   . LEU B 188 ? 0.471 0.476 0.377 -0.130 0.055  -0.014 518 LEU EEE N   
2448 C CA  . LEU B 188 ? 0.487 0.496 0.393 -0.131 0.059  -0.007 518 LEU EEE CA  
2449 C C   . LEU B 188 ? 0.483 0.480 0.394 -0.142 0.070  -0.008 518 LEU EEE C   
2450 O O   . LEU B 188 ? 0.482 0.464 0.397 -0.146 0.074  -0.012 518 LEU EEE O   
2451 C CB  . LEU B 188 ? 0.488 0.485 0.382 -0.121 0.058  0.005  518 LEU EEE CB  
2452 C CG  . LEU B 188 ? 0.495 0.500 0.383 -0.110 0.048  0.008  518 LEU EEE CG  
2453 C CD1 . LEU B 188 ? 0.516 0.508 0.392 -0.102 0.048  0.020  518 LEU EEE CD1 
2454 C CD2 . LEU B 188 ? 0.506 0.534 0.397 -0.109 0.043  0.003  518 LEU EEE CD2 
2455 N N   . HIS B 189 ? 0.471 0.472 0.383 -0.146 0.075  -0.004 519 HIS EEE N   
2456 C CA  . HIS B 189 ? 0.504 0.491 0.420 -0.156 0.087  -0.002 519 HIS EEE CA  
2457 C C   . HIS B 189 ? 0.550 0.511 0.454 -0.150 0.091  0.012  519 HIS EEE C   
2458 O O   . HIS B 189 ? 0.603 0.560 0.498 -0.149 0.095  0.021  519 HIS EEE O   
2459 C CB  . HIS B 189 ? 0.481 0.483 0.402 -0.162 0.092  -0.003 519 HIS EEE CB  
2460 C CG  . HIS B 189 ? 0.488 0.479 0.416 -0.174 0.105  -0.003 519 HIS EEE CG  
2461 N ND1 . HIS B 189 ? 0.498 0.466 0.414 -0.175 0.114  0.008  519 HIS EEE ND1 
2462 C CD2 . HIS B 189 ? 0.480 0.480 0.423 -0.187 0.110  -0.014 519 HIS EEE CD2 
2463 C CE1 . HIS B 189 ? 0.510 0.473 0.436 -0.187 0.125  0.005  519 HIS EEE CE1 
2464 N NE2 . HIS B 189 ? 0.499 0.481 0.441 -0.195 0.123  -0.009 519 HIS EEE NE2 
2465 N N   . ALA B 190 ? 0.569 0.514 0.472 -0.146 0.090  0.012  520 ALA EEE N   
2466 C CA  . ALA B 190 ? 0.611 0.533 0.506 -0.139 0.091  0.025  520 ALA EEE CA  
2467 C C   . ALA B 190 ? 0.666 0.571 0.569 -0.140 0.094  0.020  520 ALA EEE C   
2468 O O   . ALA B 190 ? 0.647 0.562 0.558 -0.145 0.093  0.006  520 ALA EEE O   
2469 C CB  . ALA B 190 ? 0.589 0.517 0.474 -0.126 0.080  0.032  520 ALA EEE CB  
2470 N N   . PRO B 191 ? 0.781 0.662 0.685 -0.137 0.099  0.029  521 PRO EEE N   
2471 C CA  . PRO B 191 ? 0.808 0.673 0.722 -0.137 0.103  0.023  521 PRO EEE CA  
2472 C C   . PRO B 191 ? 0.772 0.648 0.687 -0.131 0.096  0.014  521 PRO EEE C   
2473 O O   . PRO B 191 ? 0.719 0.603 0.629 -0.121 0.087  0.019  521 PRO EEE O   
2474 C CB  . PRO B 191 ? 0.867 0.708 0.780 -0.130 0.106  0.040  521 PRO EEE CB  
2475 C CG  . PRO B 191 ? 0.873 0.710 0.777 -0.135 0.111  0.050  521 PRO EEE CG  
2476 C CD  . PRO B 191 ? 0.842 0.707 0.738 -0.134 0.103  0.046  521 PRO EEE CD  
2477 N N   . ALA B 192 ? 0.819 0.696 0.741 -0.139 0.099  -0.001 522 ALA EEE N   
2478 C CA  . ALA B 192 ? 0.793 0.679 0.715 -0.136 0.094  -0.012 522 ALA EEE CA  
2479 C C   . ALA B 192 ? 0.812 0.676 0.740 -0.130 0.099  -0.010 522 ALA EEE C   
2480 O O   . ALA B 192 ? 0.862 0.711 0.796 -0.137 0.108  -0.019 522 ALA EEE O   
2481 C CB  . ALA B 192 ? 0.782 0.680 0.706 -0.149 0.095  -0.029 522 ALA EEE CB  
2482 N N   . THR B 193 ? 0.727 0.589 0.653 -0.117 0.093  0.002  523 THR EEE N   
2483 C CA  . THR B 193 ? 0.790 0.631 0.725 -0.109 0.097  0.009  523 THR EEE CA  
2484 C C   . THR B 193 ? 0.687 0.531 0.624 -0.102 0.095  0.002  523 THR EEE C   
2485 O O   . THR B 193 ? 0.704 0.532 0.652 -0.095 0.098  0.007  523 THR EEE O   
2486 C CB  . THR B 193 ? 0.811 0.648 0.744 -0.098 0.092  0.029  523 THR EEE CB  
2487 O OG1 . THR B 193 ? 0.899 0.755 0.823 -0.091 0.080  0.031  523 THR EEE OG1 
2488 C CG2 . THR B 193 ? 0.903 0.735 0.830 -0.105 0.095  0.037  523 THR EEE CG2 
2489 N N   . VAL B 194 ? 0.640 0.504 0.570 -0.105 0.088  -0.009 524 VAL EEE N   
2490 C CA  . VAL B 194 ? 0.638 0.503 0.568 -0.101 0.088  -0.018 524 VAL EEE CA  
2491 C C   . VAL B 194 ? 0.639 0.502 0.567 -0.114 0.095  -0.036 524 VAL EEE C   
2492 O O   . VAL B 194 ? 0.613 0.495 0.532 -0.121 0.089  -0.044 524 VAL EEE O   
2493 C CB  . VAL B 194 ? 0.642 0.529 0.564 -0.095 0.076  -0.017 524 VAL EEE CB  
2494 C CG1 . VAL B 194 ? 0.627 0.511 0.550 -0.091 0.078  -0.024 524 VAL EEE CG1 
2495 C CG2 . VAL B 194 ? 0.655 0.547 0.574 -0.085 0.068  -0.002 524 VAL EEE CG2 
2496 N N   . CYS B 195 ? 0.643 0.486 0.580 -0.117 0.107  -0.043 525 CYS EEE N   
2497 C CA  . CYS B 195 ? 0.697 0.534 0.632 -0.131 0.116  -0.061 525 CYS EEE CA  
2498 C C   . CYS B 195 ? 0.678 0.508 0.612 -0.131 0.121  -0.072 525 CYS EEE C   
2499 O O   . CYS B 195 ? 0.651 0.471 0.595 -0.120 0.125  -0.066 525 CYS EEE O   
2500 C CB  . CYS B 195 ? 0.730 0.545 0.675 -0.138 0.128  -0.061 525 CYS EEE CB  
2501 S SG  . CYS B 195 ? 0.802 0.627 0.746 -0.142 0.123  -0.050 525 CYS EEE SG  
2502 N N   . GLY B 196 ? 0.702 0.541 0.625 -0.142 0.122  -0.088 526 GLY EEE N   
2503 C CA  . GLY B 196 ? 0.714 0.542 0.633 -0.146 0.131  -0.102 526 GLY EEE CA  
2504 C C   . GLY B 196 ? 0.738 0.537 0.670 -0.151 0.148  -0.108 526 GLY EEE C   
2505 O O   . GLY B 196 ? 0.703 0.494 0.643 -0.155 0.151  -0.104 526 GLY EEE O   
2506 N N   . PRO B 197 ? 0.787 0.570 0.723 -0.151 0.160  -0.118 527 PRO EEE N   
2507 C CA  . PRO B 197 ? 0.810 0.564 0.763 -0.153 0.178  -0.123 527 PRO EEE CA  
2508 C C   . PRO B 197 ? 0.858 0.603 0.807 -0.171 0.186  -0.137 527 PRO EEE C   
2509 O O   . PRO B 197 ? 0.893 0.615 0.858 -0.171 0.198  -0.134 527 PRO EEE O   
2510 C CB  . PRO B 197 ? 0.819 0.562 0.773 -0.152 0.189  -0.135 527 PRO EEE CB  
2511 C CG  . PRO B 197 ? 0.810 0.576 0.750 -0.145 0.176  -0.131 527 PRO EEE CG  
2512 C CD  . PRO B 197 ? 0.765 0.557 0.691 -0.149 0.159  -0.126 527 PRO EEE CD  
2513 N N   . LYS B 198 ? 0.900 0.661 0.829 -0.185 0.180  -0.150 528 LYS EEE N   
2514 C CA  . LYS B 198 ? 1.005 0.762 0.929 -0.204 0.186  -0.165 528 LYS EEE CA  
2515 C C   . LYS B 198 ? 1.007 0.769 0.940 -0.205 0.180  -0.154 528 LYS EEE C   
2516 O O   . LYS B 198 ? 1.051 0.798 0.990 -0.217 0.191  -0.162 528 LYS EEE O   
2517 C CB  . LYS B 198 ? 1.059 0.837 0.960 -0.218 0.177  -0.180 528 LYS EEE CB  
2518 C CG  . LYS B 198 ? 1.144 0.913 1.032 -0.223 0.186  -0.197 528 LYS EEE CG  
2519 C CD  . LYS B 198 ? 1.215 0.964 1.100 -0.242 0.201  -0.217 528 LYS EEE CD  
2520 C CE  . LYS B 198 ? 1.282 1.018 1.155 -0.247 0.213  -0.234 528 LYS EEE CE  
2521 N NZ  . LYS B 198 ? 1.396 1.109 1.268 -0.264 0.230  -0.255 528 LYS EEE NZ  
2522 N N   . LYS B 199 ? 1.015 0.797 0.947 -0.195 0.166  -0.137 529 LYS EEE N   
2523 C CA  . LYS B 199 ? 1.076 0.864 1.013 -0.196 0.161  -0.127 529 LYS EEE CA  
2524 C C   . LYS B 199 ? 1.106 0.878 1.059 -0.182 0.165  -0.108 529 LYS EEE C   
2525 O O   . LYS B 199 ? 1.286 1.071 1.237 -0.171 0.154  -0.092 529 LYS EEE O   
2526 C CB  . LYS B 199 ? 1.012 0.834 0.938 -0.196 0.143  -0.123 529 LYS EEE CB  
2527 C CG  . LYS B 199 ? 1.051 0.884 0.981 -0.202 0.139  -0.117 529 LYS EEE CG  
2528 C CD  . LYS B 199 ? 1.118 0.947 1.049 -0.221 0.145  -0.131 529 LYS EEE CD  
2529 C CE  . LYS B 199 ? 1.161 1.015 1.080 -0.233 0.135  -0.146 529 LYS EEE CE  
2530 N NZ  . LYS B 199 ? 1.200 1.050 1.122 -0.253 0.142  -0.161 529 LYS EEE NZ  
2531 N N   . SER B 200 ? 1.184 0.926 1.150 -0.182 0.181  -0.109 530 SER EEE N   
2532 C CA  . SER B 200 ? 1.187 0.910 1.170 -0.166 0.186  -0.091 530 SER EEE CA  
2533 C C   . SER B 200 ? 1.233 0.924 1.232 -0.172 0.204  -0.095 530 SER EEE C   
2534 O O   . SER B 200 ? 1.217 0.889 1.225 -0.170 0.216  -0.103 530 SER EEE O   
2535 C CB  . SER B 200 ? 1.147 0.871 1.133 -0.153 0.184  -0.089 530 SER EEE CB  
2536 O OG  . SER B 200 ? 1.083 0.828 1.063 -0.141 0.168  -0.074 530 SER EEE OG  
2537 N N   . GLN C 3   ? 0.972 0.907 0.999 0.134  0.007  -0.048 1   GLN FFF N   
2538 C CA  . GLN C 3   ? 0.955 0.928 0.984 0.119  0.010  -0.034 1   GLN FFF CA  
2539 C C   . GLN C 3   ? 0.830 0.802 0.866 0.105  -0.011 -0.013 1   GLN FFF C   
2540 O O   . GLN C 3   ? 0.803 0.759 0.856 0.112  -0.026 -0.005 1   GLN FFF O   
2541 C CB  . GLN C 3   ? 1.047 1.060 1.109 0.130  0.024  -0.034 1   GLN FFF CB  
2542 C CG  . GLN C 3   ? 1.185 1.207 1.241 0.143  0.048  -0.054 1   GLN FFF CG  
2543 C CD  . GLN C 3   ? 1.272 1.318 1.372 0.166  0.061  -0.059 1   GLN FFF CD  
2544 O OE1 . GLN C 3   ? 1.185 1.230 1.322 0.178  0.048  -0.051 1   GLN FFF OE1 
2545 N NE2 . GLN C 3   ? 1.311 1.382 1.410 0.173  0.086  -0.071 1   GLN FFF NE2 
2546 N N   . VAL C 4   ? 0.734 0.721 0.753 0.087  -0.012 -0.005 2   VAL FFF N   
2547 C CA  . VAL C 4   ? 0.694 0.686 0.711 0.071  -0.027 0.013  2   VAL FFF CA  
2548 C C   . VAL C 4   ? 0.558 0.583 0.583 0.064  -0.023 0.019  2   VAL FFF C   
2549 O O   . VAL C 4   ? 0.530 0.570 0.552 0.066  -0.008 0.010  2   VAL FFF O   
2550 C CB  . VAL C 4   ? 0.760 0.733 0.744 0.055  -0.031 0.014  2   VAL FFF CB  
2551 C CG1 . VAL C 4   ? 0.831 0.811 0.808 0.039  -0.042 0.030  2   VAL FFF CG1 
2552 C CG2 . VAL C 4   ? 0.820 0.760 0.797 0.058  -0.037 0.009  2   VAL FFF CG2 
2553 N N   . GLN C 5   ? 0.481 0.515 0.511 0.054  -0.037 0.034  3   GLN FFF N   
2554 C CA  . GLN C 5   ? 0.446 0.506 0.477 0.044  -0.036 0.039  3   GLN FFF CA  
2555 C C   . GLN C 5   ? 0.426 0.481 0.423 0.027  -0.033 0.036  3   GLN FFF C   
2556 O O   . GLN C 5   ? 0.480 0.521 0.458 0.017  -0.041 0.042  3   GLN FFF O   
2557 C CB  . GLN C 5   ? 0.436 0.509 0.487 0.040  -0.054 0.055  3   GLN FFF CB  
2558 C CG  . GLN C 5   ? 0.447 0.546 0.502 0.029  -0.055 0.059  3   GLN FFF CG  
2559 C CD  . GLN C 5   ? 0.501 0.611 0.573 0.023  -0.076 0.076  3   GLN FFF CD  
2560 O OE1 . GLN C 5   ? 0.672 0.770 0.751 0.027  -0.090 0.086  3   GLN FFF OE1 
2561 N NE2 . GLN C 5   ? 0.473 0.605 0.553 0.012  -0.082 0.081  3   GLN FFF NE2 
2562 N N   . LEU C 6   ? 0.383 0.447 0.374 0.024  -0.021 0.028  4   LEU FFF N   
2563 C CA  . LEU C 6   ? 0.367 0.427 0.332 0.011  -0.018 0.025  4   LEU FFF CA  
2564 C C   . LEU C 6   ? 0.381 0.457 0.351 0.002  -0.024 0.031  4   LEU FFF C   
2565 O O   . LEU C 6   ? 0.356 0.450 0.347 0.005  -0.021 0.032  4   LEU FFF O   
2566 C CB  . LEU C 6   ? 0.396 0.454 0.352 0.014  -0.005 0.015  4   LEU FFF CB  
2567 C CG  . LEU C 6   ? 0.432 0.473 0.379 0.021  -0.000 0.007  4   LEU FFF CG  
2568 C CD1 . LEU C 6   ? 0.431 0.467 0.362 0.019  0.008  0.000  4   LEU FFF CD1 
2569 C CD2 . LEU C 6   ? 0.455 0.480 0.394 0.018  -0.009 0.011  4   LEU FFF CD2 
2570 N N   . VAL C 7   ? 0.365 0.435 0.316 -0.010 -0.032 0.034  5   VAL FFF N   
2571 C CA  . VAL C 7   ? 0.346 0.425 0.295 -0.022 -0.041 0.038  5   VAL FFF CA  
2572 C C   . VAL C 7   ? 0.343 0.412 0.271 -0.029 -0.033 0.027  5   VAL FFF C   
2573 O O   . VAL C 7   ? 0.369 0.424 0.273 -0.032 -0.029 0.021  5   VAL FFF O   
2574 C CB  . VAL C 7   ? 0.366 0.441 0.302 -0.032 -0.057 0.047  5   VAL FFF CB  
2575 C CG1 . VAL C 7   ? 0.389 0.470 0.317 -0.046 -0.068 0.049  5   VAL FFF CG1 
2576 C CG2 . VAL C 7   ? 0.373 0.453 0.332 -0.024 -0.067 0.059  5   VAL FFF CG2 
2577 N N   . GLU C 8   ? 0.354 0.432 0.294 -0.031 -0.030 0.026  6   GLU FFF N   
2578 C CA  . GLU C 8   ? 0.361 0.427 0.287 -0.035 -0.024 0.018  6   GLU FFF CA  
2579 C C   . GLU C 8   ? 0.383 0.445 0.301 -0.050 -0.035 0.018  6   GLU FFF C   
2580 O O   . GLU C 8   ? 0.378 0.456 0.313 -0.056 -0.045 0.028  6   GLU FFF O   
2581 C CB  . GLU C 8   ? 0.380 0.455 0.322 -0.030 -0.014 0.019  6   GLU FFF CB  
2582 C CG  . GLU C 8   ? 0.394 0.454 0.322 -0.034 -0.010 0.013  6   GLU FFF CG  
2583 C CD  . GLU C 8   ? 0.413 0.481 0.351 -0.031 -0.001 0.017  6   GLU FFF CD  
2584 O OE1 . GLU C 8   ? 0.402 0.481 0.348 -0.022 0.007  0.018  6   GLU FFF OE1 
2585 O OE2 . GLU C 8   ? 0.435 0.495 0.369 -0.039 -0.003 0.019  6   GLU FFF OE2 
2586 N N   . SER C 9   ? 0.398 0.440 0.292 -0.054 -0.034 0.008  7   SER FFF N   
2587 C CA  . SER C 9   ? 0.429 0.459 0.310 -0.068 -0.045 0.004  7   SER FFF CA  
2588 C C   . SER C 9   ? 0.433 0.440 0.301 -0.068 -0.039 -0.007 7   SER FFF C   
2589 O O   . SER C 9   ? 0.424 0.426 0.293 -0.057 -0.028 -0.012 7   SER FFF O   
2590 C CB  . SER C 9   ? 0.491 0.515 0.348 -0.077 -0.054 0.002  7   SER FFF CB  
2591 O OG  . SER C 9   ? 0.561 0.571 0.394 -0.071 -0.044 -0.009 7   SER FFF OG  
2592 N N   . GLY C 10  ? 0.476 0.468 0.336 -0.081 -0.050 -0.011 8   GLY FFF N   
2593 C CA  . GLY C 10  ? 0.563 0.524 0.406 -0.081 -0.049 -0.025 8   GLY FFF CA  
2594 C C   . GLY C 10  ? 0.633 0.584 0.490 -0.086 -0.053 -0.020 8   GLY FFF C   
2595 O O   . GLY C 10  ? 0.828 0.751 0.677 -0.082 -0.051 -0.030 8   GLY FFF O   
2596 N N   . GLY C 11  ? 0.570 0.540 0.449 -0.096 -0.059 -0.004 9   GLY FFF N   
2597 C CA  . GLY C 11  ? 0.653 0.610 0.542 -0.104 -0.063 0.002  9   GLY FFF CA  
2598 C C   . GLY C 11  ? 0.724 0.645 0.596 -0.117 -0.077 -0.006 9   GLY FFF C   
2599 O O   . GLY C 11  ? 0.782 0.687 0.632 -0.121 -0.084 -0.020 9   GLY FFF O   
2600 N N   . GLY C 12  ? 0.681 0.585 0.561 -0.126 -0.083 0.001  10  GLY FFF N   
2601 C CA  . GLY C 12  ? 0.706 0.582 0.579 -0.146 -0.102 -0.001 10  GLY FFF CA  
2602 C C   . GLY C 12  ? 0.701 0.543 0.575 -0.149 -0.107 0.002  10  GLY FFF C   
2603 O O   . GLY C 12  ? 0.640 0.489 0.524 -0.139 -0.097 0.010  10  GLY FFF O   
2604 N N   . LEU C 13  ? 0.758 0.562 0.619 -0.164 -0.124 -0.005 11  LEU FFF N   
2605 C CA  . LEU C 13  ? 0.826 0.587 0.688 -0.172 -0.136 -0.002 11  LEU FFF CA  
2606 C C   . LEU C 13  ? 0.859 0.576 0.700 -0.152 -0.133 -0.028 11  LEU FFF C   
2607 O O   . LEU C 13  ? 0.911 0.619 0.730 -0.145 -0.130 -0.050 11  LEU FFF O   
2608 C CB  . LEU C 13  ? 0.873 0.618 0.734 -0.201 -0.159 0.004  11  LEU FFF CB  
2609 C CG  . LEU C 13  ? 0.952 0.652 0.816 -0.216 -0.175 0.012  11  LEU FFF CG  
2610 C CD1 . LEU C 13  ? 0.934 0.636 0.812 -0.207 -0.166 0.029  11  LEU FFF CD1 
2611 C CD2 . LEU C 13  ? 1.006 0.715 0.884 -0.249 -0.194 0.032  11  LEU FFF CD2 
2612 N N   . VAL C 14  ? 0.814 0.508 0.664 -0.141 -0.132 -0.024 12  VAL FFF N   
2613 C CA  . VAL C 14  ? 0.849 0.504 0.688 -0.119 -0.128 -0.049 12  VAL FFF CA  
2614 C C   . VAL C 14  ? 0.880 0.491 0.729 -0.121 -0.142 -0.040 12  VAL FFF C   
2615 O O   . VAL C 14  ? 0.836 0.461 0.700 -0.135 -0.148 -0.012 12  VAL FFF O   
2616 C CB  . VAL C 14  ? 0.883 0.570 0.727 -0.094 -0.107 -0.054 12  VAL FFF CB  
2617 C CG1 . VAL C 14  ? 0.891 0.612 0.756 -0.092 -0.101 -0.029 12  VAL FFF CG1 
2618 C CG2 . VAL C 14  ? 0.955 0.611 0.797 -0.070 -0.101 -0.078 12  VAL FFF CG2 
2619 N N   . LYS C 15  ? 0.946 0.505 0.786 -0.108 -0.149 -0.062 13  LYS FFF N   
2620 C CA  . LYS C 15  ? 0.987 0.497 0.839 -0.108 -0.165 -0.055 13  LYS FFF CA  
2621 C C   . LYS C 15  ? 0.904 0.427 0.777 -0.085 -0.156 -0.046 13  LYS FFF C   
2622 O O   . LYS C 15  ? 0.848 0.402 0.724 -0.064 -0.137 -0.058 13  LYS FFF O   
2623 C CB  . LYS C 15  ? 1.111 0.557 0.947 -0.103 -0.176 -0.084 13  LYS FFF CB  
2624 C CG  . LYS C 15  ? 1.237 0.644 1.060 -0.134 -0.201 -0.078 13  LYS FFF CG  
2625 C CD  . LYS C 15  ? 1.375 0.718 1.173 -0.131 -0.212 -0.112 13  LYS FFF CD  
2626 C CE  . LYS C 15  ? 1.443 0.777 1.217 -0.163 -0.228 -0.114 13  LYS FFF CE  
2627 N NZ  . LYS C 15  ? 1.514 0.822 1.251 -0.155 -0.224 -0.154 13  LYS FFF NZ  
2628 N N   . THR C 16  ? 0.912 0.415 0.799 -0.092 -0.171 -0.022 14  THR FFF N   
2629 C CA  . THR C 16  ? 0.909 0.414 0.816 -0.073 -0.170 -0.011 14  THR FFF CA  
2630 C C   . THR C 16  ? 0.908 0.393 0.823 -0.040 -0.162 -0.041 14  THR FFF C   
2631 O O   . THR C 16  ? 0.969 0.406 0.879 -0.035 -0.169 -0.063 14  THR FFF O   
2632 C CB  . THR C 16  ? 0.944 0.412 0.857 -0.091 -0.194 0.018  14  THR FFF CB  
2633 O OG1 . THR C 16  ? 0.928 0.399 0.857 -0.075 -0.196 0.032  14  THR FFF OG1 
2634 C CG2 . THR C 16  ? 1.092 0.490 1.003 -0.094 -0.214 0.006  14  THR FFF CG2 
2635 N N   . GLY C 17  ? 0.859 0.382 0.789 -0.019 -0.146 -0.044 15  GLY FFF N   
2636 C CA  . GLY C 17  ? 0.864 0.381 0.809 0.012  -0.134 -0.071 15  GLY FFF CA  
2637 C C   . GLY C 17  ? 0.851 0.399 0.779 0.018  -0.111 -0.096 15  GLY FFF C   
2638 O O   . GLY C 17  ? 0.876 0.434 0.816 0.042  -0.095 -0.117 15  GLY FFF O   
2639 N N   . GLY C 18  ? 0.823 0.388 0.724 -0.005 -0.109 -0.093 16  GLY FFF N   
2640 C CA  . GLY C 18  ? 0.798 0.389 0.677 -0.005 -0.091 -0.113 16  GLY FFF CA  
2641 C C   . GLY C 18  ? 0.722 0.372 0.609 0.001  -0.073 -0.105 16  GLY FFF C   
2642 O O   . GLY C 18  ? 0.687 0.356 0.596 0.006  -0.074 -0.086 16  GLY FFF O   
2643 N N   . SER C 19  ? 0.702 0.376 0.568 -0.002 -0.060 -0.118 17  SER FFF N   
2644 C CA  . SER C 19  ? 0.696 0.421 0.566 0.003  -0.043 -0.113 17  SER FFF CA  
2645 C C   . SER C 19  ? 0.657 0.406 0.506 -0.017 -0.043 -0.106 17  SER FFF C   
2646 O O   . SER C 19  ? 0.687 0.415 0.513 -0.030 -0.051 -0.115 17  SER FFF O   
2647 C CB  . SER C 19  ? 0.760 0.491 0.631 0.023  -0.024 -0.137 17  SER FFF CB  
2648 O OG  . SER C 19  ? 0.857 0.579 0.760 0.044  -0.023 -0.139 17  SER FFF OG  
2649 N N   . LEU C 20  ? 0.631 0.419 0.487 -0.018 -0.036 -0.090 18  LEU FFF N   
2650 C CA  . LEU C 20  ? 0.647 0.463 0.489 -0.032 -0.034 -0.084 18  LEU FFF CA  
2651 C C   . LEU C 20  ? 0.608 0.460 0.457 -0.021 -0.019 -0.082 18  LEU FFF C   
2652 O O   . LEU C 20  ? 0.591 0.450 0.460 -0.009 -0.015 -0.077 18  LEU FFF O   
2653 C CB  . LEU C 20  ? 0.674 0.501 0.524 -0.048 -0.045 -0.062 18  LEU FFF CB  
2654 C CG  . LEU C 20  ? 0.836 0.646 0.677 -0.068 -0.060 -0.059 18  LEU FFF CG  
2655 C CD1 . LEU C 20  ? 0.863 0.700 0.719 -0.082 -0.065 -0.035 18  LEU FFF CD1 
2656 C CD2 . LEU C 20  ? 0.886 0.693 0.701 -0.074 -0.061 -0.074 18  LEU FFF CD2 
2657 N N   . ARG C 21  ? 0.572 0.444 0.405 -0.028 -0.015 -0.082 19  ARG FFF N   
2658 C CA  . ARG C 21  ? 0.576 0.481 0.416 -0.023 -0.004 -0.075 19  ARG FFF CA  
2659 C C   . ARG C 21  ? 0.569 0.494 0.411 -0.034 -0.011 -0.058 19  ARG FFF C   
2660 O O   . ARG C 21  ? 0.602 0.525 0.430 -0.046 -0.019 -0.059 19  ARG FFF O   
2661 C CB  . ARG C 21  ? 0.626 0.537 0.448 -0.019 0.008  -0.090 19  ARG FFF CB  
2662 C CG  . ARG C 21  ? 0.649 0.590 0.474 -0.019 0.016  -0.080 19  ARG FFF CG  
2663 C CD  . ARG C 21  ? 0.651 0.603 0.462 -0.016 0.030  -0.090 19  ARG FFF CD  
2664 N NE  . ARG C 21  ? 0.902 0.847 0.677 -0.025 0.032  -0.101 19  ARG FFF NE  
2665 C CZ  . ARG C 21  ? 0.807 0.759 0.561 -0.040 0.024  -0.092 19  ARG FFF CZ  
2666 N NH1 . ARG C 21  ? 0.841 0.805 0.609 -0.045 0.012  -0.074 19  ARG FFF NH1 
2667 N NH2 . ARG C 21  ? 1.083 1.027 0.800 -0.048 0.027  -0.103 19  ARG FFF NH2 
2668 N N   . LEU C 22  ? 0.460 0.404 0.319 -0.030 -0.008 -0.046 20  LEU FFF N   
2669 C CA  . LEU C 22  ? 0.450 0.418 0.314 -0.036 -0.010 -0.033 20  LEU FFF CA  
2670 C C   . LEU C 22  ? 0.434 0.416 0.294 -0.030 -0.003 -0.034 20  LEU FFF C   
2671 O O   . LEU C 22  ? 0.448 0.429 0.310 -0.021 0.006  -0.040 20  LEU FFF O   
2672 C CB  . LEU C 22  ? 0.410 0.386 0.290 -0.034 -0.011 -0.020 20  LEU FFF CB  
2673 C CG  . LEU C 22  ? 0.446 0.407 0.330 -0.041 -0.017 -0.016 20  LEU FFF CG  
2674 C CD1 . LEU C 22  ? 0.445 0.419 0.340 -0.042 -0.015 -0.002 20  LEU FFF CD1 
2675 C CD2 . LEU C 22  ? 0.493 0.450 0.373 -0.055 -0.027 -0.015 20  LEU FFF CD2 
2676 N N   . SER C 23  ? 0.389 0.385 0.248 -0.035 -0.007 -0.026 21  SER FFF N   
2677 C CA  . SER C 23  ? 0.414 0.421 0.268 -0.033 -0.003 -0.023 21  SER FFF CA  
2678 C C   . SER C 23  ? 0.387 0.408 0.257 -0.031 -0.006 -0.011 21  SER FFF C   
2679 O O   . SER C 23  ? 0.384 0.411 0.265 -0.034 -0.012 -0.005 21  SER FFF O   
2680 C CB  . SER C 23  ? 0.448 0.453 0.280 -0.043 -0.007 -0.025 21  SER FFF CB  
2681 O OG  . SER C 23  ? 0.569 0.560 0.382 -0.044 -0.002 -0.040 21  SER FFF OG  
2682 N N   . CYS C 24  ? 0.404 0.430 0.277 -0.026 -0.002 -0.009 22  CYS FFF N   
2683 C CA  . CYS C 24  ? 0.390 0.425 0.278 -0.021 -0.004 -0.000 22  CYS FFF CA  
2684 C C   . CYS C 24  ? 0.388 0.422 0.268 -0.023 -0.006 0.004  22  CYS FFF C   
2685 O O   . CYS C 24  ? 0.395 0.426 0.270 -0.023 0.000  0.001  22  CYS FFF O   
2686 C CB  . CYS C 24  ? 0.419 0.452 0.316 -0.013 0.001  -0.002 22  CYS FFF CB  
2687 S SG  . CYS C 24  ? 0.491 0.530 0.401 -0.006 0.001  0.004  22  CYS FFF SG  
2688 N N   . ALA C 25  ? 0.384 0.423 0.267 -0.026 -0.015 0.013  23  ALA FFF N   
2689 C CA  . ALA C 25  ? 0.398 0.433 0.271 -0.031 -0.020 0.021  23  ALA FFF CA  
2690 C C   . ALA C 25  ? 0.385 0.419 0.277 -0.023 -0.026 0.030  23  ALA FFF C   
2691 O O   . ALA C 25  ? 0.362 0.403 0.274 -0.016 -0.030 0.032  23  ALA FFF O   
2692 C CB  . ALA C 25  ? 0.401 0.437 0.255 -0.042 -0.028 0.026  23  ALA FFF CB  
2693 N N   . ALA C 26  ? 0.390 0.416 0.279 -0.024 -0.028 0.035  24  ALA FFF N   
2694 C CA  . ALA C 26  ? 0.413 0.429 0.317 -0.017 -0.037 0.042  24  ALA FFF CA  
2695 C C   . ALA C 26  ? 0.429 0.436 0.322 -0.027 -0.044 0.054  24  ALA FFF C   
2696 O O   . ALA C 26  ? 0.444 0.452 0.322 -0.035 -0.036 0.052  24  ALA FFF O   
2697 C CB  . ALA C 26  ? 0.437 0.447 0.352 -0.006 -0.029 0.032  24  ALA FFF CB  
2698 N N   . SER C 27  ? 0.465 0.464 0.365 -0.027 -0.059 0.067  25  SER FFF N   
2699 C CA  . SER C 27  ? 0.507 0.496 0.393 -0.040 -0.069 0.083  25  SER FFF CA  
2700 C C   . SER C 27  ? 0.513 0.487 0.400 -0.041 -0.066 0.083  25  SER FFF C   
2701 O O   . SER C 27  ? 0.532 0.497 0.435 -0.028 -0.062 0.072  25  SER FFF O   
2702 C CB  . SER C 27  ? 0.526 0.507 0.424 -0.037 -0.089 0.099  25  SER FFF CB  
2703 O OG  . SER C 27  ? 0.548 0.521 0.477 -0.018 -0.091 0.094  25  SER FFF OG  
2704 N N   . GLY C 28  ? 0.549 0.522 0.418 -0.058 -0.066 0.094  26  GLY FFF N   
2705 C CA  . GLY C 28  ? 0.538 0.496 0.410 -0.064 -0.069 0.100  26  GLY FFF CA  
2706 C C   . GLY C 28  ? 0.494 0.455 0.374 -0.059 -0.056 0.084  26  GLY FFF C   
2707 O O   . GLY C 28  ? 0.487 0.468 0.362 -0.059 -0.042 0.074  26  GLY FFF O   
2708 N N   . ARG C 29  ? 0.530 0.470 0.423 -0.053 -0.063 0.082  27  ARG FFF N   
2709 C CA  . ARG C 29  ? 0.534 0.474 0.432 -0.055 -0.057 0.072  27  ARG FFF CA  
2710 C C   . ARG C 29  ? 0.502 0.441 0.406 -0.038 -0.051 0.053  27  ARG FFF C   
2711 O O   . ARG C 29  ? 0.485 0.422 0.392 -0.038 -0.049 0.045  27  ARG FFF O   
2712 C CB  . ARG C 29  ? 0.601 0.515 0.502 -0.065 -0.071 0.083  27  ARG FFF CB  
2713 C CG  . ARG C 29  ? 0.700 0.626 0.593 -0.087 -0.071 0.103  27  ARG FFF CG  
2714 C CD  . ARG C 29  ? 0.868 0.769 0.763 -0.103 -0.087 0.120  27  ARG FFF CD  
2715 N NE  . ARG C 29  ? 0.913 0.835 0.798 -0.127 -0.081 0.138  27  ARG FFF NE  
2716 C CZ  . ARG C 29  ? 1.059 0.986 0.929 -0.140 -0.084 0.157  27  ARG FFF CZ  
2717 N NH1 . ARG C 29  ? 1.005 0.914 0.867 -0.132 -0.096 0.163  27  ARG FFF NH1 
2718 N NH2 . ARG C 29  ? 1.085 1.034 0.945 -0.162 -0.074 0.171  27  ARG FFF NH2 
2719 N N   . THR C 30  ? 0.464 0.410 0.371 -0.025 -0.048 0.047  28  THR FFF N   
2720 C CA  . THR C 30  ? 0.439 0.386 0.350 -0.011 -0.040 0.031  28  THR FFF CA  
2721 C C   . THR C 30  ? 0.432 0.391 0.338 -0.015 -0.031 0.023  28  THR FFF C   
2722 O O   . THR C 30  ? 0.401 0.349 0.305 -0.011 -0.032 0.014  28  THR FFF O   
2723 C CB  . THR C 30  ? 0.444 0.405 0.361 -0.002 -0.036 0.029  28  THR FFF CB  
2724 O OG1 . THR C 30  ? 0.466 0.415 0.395 0.006  -0.046 0.035  28  THR FFF OG1 
2725 C CG2 . THR C 30  ? 0.439 0.407 0.358 0.009  -0.026 0.016  28  THR FFF CG2 
2726 N N   . PHE C 31  ? 0.405 0.385 0.308 -0.021 -0.024 0.025  29  PHE FFF N   
2727 C CA  . PHE C 31  ? 0.429 0.421 0.333 -0.021 -0.016 0.017  29  PHE FFF CA  
2728 C C   . PHE C 31  ? 0.425 0.416 0.335 -0.030 -0.019 0.020  29  PHE FFF C   
2729 O O   . PHE C 31  ? 0.434 0.430 0.348 -0.029 -0.018 0.015  29  PHE FFF O   
2730 C CB  . PHE C 31  ? 0.407 0.417 0.308 -0.023 -0.007 0.016  29  PHE FFF CB  
2731 C CG  . PHE C 31  ? 0.389 0.401 0.287 -0.015 -0.005 0.011  29  PHE FFF CG  
2732 C CD1 . PHE C 31  ? 0.394 0.402 0.296 -0.007 -0.004 0.005  29  PHE FFF CD1 
2733 C CD2 . PHE C 31  ? 0.399 0.419 0.291 -0.019 -0.004 0.014  29  PHE FFF CD2 
2734 C CE1 . PHE C 31  ? 0.429 0.442 0.331 -0.002 -0.002 0.003  29  PHE FFF CE1 
2735 C CE2 . PHE C 31  ? 0.416 0.439 0.308 -0.015 -0.004 0.011  29  PHE FFF CE2 
2736 C CZ  . PHE C 31  ? 0.425 0.446 0.325 -0.007 -0.003 0.006  29  PHE FFF CZ  
2737 N N   . SER C 32  ? 0.440 0.425 0.350 -0.041 -0.025 0.031  30  SER FFF N   
2738 C CA  A SER C 32  ? 0.440 0.426 0.359 -0.052 -0.030 0.036  30  SER FFF CA  
2739 C CA  B SER C 32  ? 0.453 0.438 0.372 -0.053 -0.031 0.037  30  SER FFF CA  
2740 C C   . SER C 32  ? 0.449 0.404 0.365 -0.050 -0.044 0.032  30  SER FFF C   
2741 O O   . SER C 32  ? 0.437 0.388 0.360 -0.061 -0.052 0.036  30  SER FFF O   
2742 C CB  A SER C 32  ? 0.455 0.451 0.375 -0.068 -0.029 0.051  30  SER FFF CB  
2743 C CB  B SER C 32  ? 0.488 0.478 0.407 -0.068 -0.031 0.053  30  SER FFF CB  
2744 O OG  A SER C 32  ? 0.470 0.447 0.381 -0.070 -0.038 0.061  30  SER FFF OG  
2745 O OG  B SER C 32  ? 0.516 0.535 0.433 -0.072 -0.017 0.054  30  SER FFF OG  
2746 N N   . THR C 33  ? 0.445 0.381 0.353 -0.037 -0.046 0.024  31  THR FFF N   
2747 C CA  . THR C 33  ? 0.476 0.379 0.377 -0.031 -0.056 0.015  31  THR FFF CA  
2748 C C   . THR C 33  ? 0.471 0.374 0.363 -0.021 -0.051 0.000  31  THR FFF C   
2749 O O   . THR C 33  ? 0.459 0.344 0.341 -0.024 -0.059 -0.007 31  THR FFF O   
2750 C CB  . THR C 33  ? 0.506 0.388 0.407 -0.022 -0.061 0.016  31  THR FFF CB  
2751 O OG1 . THR C 33  ? 0.486 0.370 0.393 -0.035 -0.067 0.034  31  THR FFF OG1 
2752 C CG2 . THR C 33  ? 0.547 0.391 0.443 -0.016 -0.071 0.006  31  THR FFF CG2 
2753 N N   . TYR C 34  ? 0.446 0.367 0.337 -0.012 -0.039 -0.004 32  TYR FFF N   
2754 C CA  . TYR C 34  ? 0.466 0.387 0.345 -0.002 -0.033 -0.016 32  TYR FFF CA  
2755 C C   . TYR C 34  ? 0.443 0.389 0.326 -0.005 -0.027 -0.013 32  TYR FFF C   
2756 O O   . TYR C 34  ? 0.438 0.401 0.330 -0.005 -0.020 -0.007 32  TYR FFF O   
2757 C CB  . TYR C 34  ? 0.467 0.386 0.346 0.011  -0.025 -0.021 32  TYR FFF CB  
2758 C CG  . TYR C 34  ? 0.517 0.411 0.400 0.018  -0.032 -0.024 32  TYR FFF CG  
2759 C CD1 . TYR C 34  ? 0.582 0.446 0.451 0.020  -0.038 -0.035 32  TYR FFF CD1 
2760 C CD2 . TYR C 34  ? 0.525 0.423 0.423 0.021  -0.034 -0.015 32  TYR FFF CD2 
2761 C CE1 . TYR C 34  ? 0.608 0.444 0.481 0.027  -0.045 -0.039 32  TYR FFF CE1 
2762 C CE2 . TYR C 34  ? 0.564 0.436 0.469 0.029  -0.042 -0.015 32  TYR FFF CE2 
2763 C CZ  . TYR C 34  ? 0.612 0.452 0.505 0.033  -0.047 -0.028 32  TYR FFF CZ  
2764 O OH  . TYR C 34  ? 0.700 0.511 0.601 0.041  -0.056 -0.030 32  TYR FFF OH  
2765 N N   . SER C 35  ? 0.427 0.371 0.301 -0.007 -0.029 -0.017 33  SER FFF N   
2766 C CA  . SER C 35  ? 0.409 0.372 0.288 -0.007 -0.025 -0.015 33  SER FFF CA  
2767 C C   . SER C 35  ? 0.402 0.373 0.278 0.001  -0.014 -0.017 33  SER FFF C   
2768 O O   . SER C 35  ? 0.407 0.371 0.275 0.007  -0.010 -0.022 33  SER FFF O   
2769 C CB  . SER C 35  ? 0.409 0.365 0.278 -0.011 -0.034 -0.017 33  SER FFF CB  
2770 O OG  . SER C 35  ? 0.389 0.343 0.267 -0.020 -0.046 -0.013 33  SER FFF OG  
2771 N N   . MET C 36  ? 0.391 0.376 0.275 0.000  -0.010 -0.013 34  MET FFF N   
2772 C CA  . MET C 36  ? 0.389 0.382 0.272 0.004  -0.002 -0.013 34  MET FFF CA  
2773 C C   . MET C 36  ? 0.376 0.370 0.254 0.003  -0.002 -0.012 34  MET FFF C   
2774 O O   . MET C 36  ? 0.376 0.370 0.259 0.001  -0.009 -0.010 34  MET FFF O   
2775 C CB  . MET C 36  ? 0.378 0.381 0.272 0.003  0.001  -0.010 34  MET FFF CB  
2776 C CG  . MET C 36  ? 0.403 0.414 0.304 -0.000 0.002  -0.009 34  MET FFF CG  
2777 S SD  . MET C 36  ? 0.442 0.454 0.342 0.001  0.004  -0.010 34  MET FFF SD  
2778 C CE  . MET C 36  ? 0.485 0.501 0.382 0.000  0.008  -0.009 34  MET FFF CE  
2779 N N   . GLY C 37  ? 0.392 0.390 0.265 0.005  0.004  -0.012 35  GLY FFF N   
2780 C CA  . GLY C 37  ? 0.411 0.408 0.278 0.002  0.003  -0.007 35  GLY FFF CA  
2781 C C   . GLY C 37  ? 0.411 0.417 0.285 -0.000 0.009  -0.004 35  GLY FFF C   
2782 O O   . GLY C 37  ? 0.414 0.429 0.293 0.002  0.015  -0.005 35  GLY FFF O   
2783 N N   . TRP C 38  ? 0.396 0.399 0.273 -0.004 0.005  -0.000 36  TRP FFF N   
2784 C CA  . TRP C 38  ? 0.376 0.381 0.255 -0.009 0.007  0.004  36  TRP FFF CA  
2785 C C   . TRP C 38  ? 0.378 0.382 0.245 -0.014 0.007  0.012  36  TRP FFF C   
2786 O O   . TRP C 38  ? 0.392 0.384 0.249 -0.015 0.000  0.015  36  TRP FFF O   
2787 C CB  . TRP C 38  ? 0.400 0.396 0.288 -0.009 0.001  0.003  36  TRP FFF CB  
2788 C CG  . TRP C 38  ? 0.377 0.377 0.272 -0.006 0.003  -0.004 36  TRP FFF CG  
2789 C CD1 . TRP C 38  ? 0.378 0.379 0.279 -0.001 0.003  -0.009 36  TRP FFF CD1 
2790 C CD2 . TRP C 38  ? 0.374 0.380 0.271 -0.010 0.005  -0.006 36  TRP FFF CD2 
2791 N NE1 . TRP C 38  ? 0.381 0.387 0.283 -0.002 0.007  -0.014 36  TRP FFF NE1 
2792 C CE2 . TRP C 38  ? 0.371 0.377 0.268 -0.007 0.006  -0.012 36  TRP FFF CE2 
2793 C CE3 . TRP C 38  ? 0.361 0.373 0.259 -0.016 0.005  -0.002 36  TRP FFF CE3 
2794 C CZ2 . TRP C 38  ? 0.392 0.402 0.285 -0.012 0.006  -0.014 36  TRP FFF CZ2 
2795 C CZ3 . TRP C 38  ? 0.375 0.391 0.274 -0.020 0.002  -0.003 36  TRP FFF CZ3 
2796 C CH2 . TRP C 38  ? 0.379 0.393 0.273 -0.018 0.003  -0.010 36  TRP FFF CH2 
2797 N N   . PHE C 39  ? 0.408 0.345 0.406 0.018  0.011  0.028  37  PHE FFF N   
2798 C CA  . PHE C 39  ? 0.411 0.346 0.399 0.016  0.010  0.017  37  PHE FFF CA  
2799 C C   . PHE C 39  ? 0.421 0.358 0.392 0.010  0.009  0.020  37  PHE FFF C   
2800 O O   . PHE C 39  ? 0.407 0.357 0.377 0.007  0.008  0.025  37  PHE FFF O   
2801 C CB  . PHE C 39  ? 0.401 0.342 0.410 0.019  0.014  0.011  37  PHE FFF CB  
2802 C CG  . PHE C 39  ? 0.407 0.342 0.434 0.019  0.019  -0.001 37  PHE FFF CG  
2803 C CD1 . PHE C 39  ? 0.414 0.335 0.463 0.020  0.023  0.005  37  PHE FFF CD1 
2804 C CD2 . PHE C 39  ? 0.409 0.360 0.435 0.014  0.020  -0.020 37  PHE FFF CD2 
2805 C CE1 . PHE C 39  ? 0.422 0.334 0.491 0.014  0.030  -0.011 37  PHE FFF CE1 
2806 C CE2 . PHE C 39  ? 0.413 0.366 0.458 0.009  0.026  -0.039 37  PHE FFF CE2 
2807 C CZ  . PHE C 39  ? 0.422 0.353 0.489 0.007  0.032  -0.037 37  PHE FFF CZ  
2808 N N   . ARG C 40  ? 0.407 0.339 0.364 0.005  0.009  0.016  38  ARG FFF N   
2809 C CA  . ARG C 40  ? 0.434 0.366 0.378 -0.007 0.010  0.017  38  ARG FFF CA  
2810 C C   . ARG C 40  ? 0.467 0.410 0.408 -0.014 0.010  0.017  38  ARG FFF C   
2811 O O   . ARG C 40  ? 0.435 0.384 0.378 -0.009 0.010  0.017  38  ARG FFF O   
2812 C CB  . ARG C 40  ? 0.470 0.373 0.399 -0.010 0.012  0.015  38  ARG FFF CB  
2813 C CG  . ARG C 40  ? 0.487 0.369 0.410 -0.005 0.014  0.022  38  ARG FFF CG  
2814 C CD  . ARG C 40  ? 0.526 0.376 0.442 0.001  0.019  0.020  38  ARG FFF CD  
2815 N NE  . ARG C 40  ? 0.539 0.374 0.453 0.013  0.021  0.035  38  ARG FFF NE  
2816 C CZ  . ARG C 40  ? 0.600 0.404 0.513 0.025  0.027  0.038  38  ARG FFF CZ  
2817 N NH1 . ARG C 40  ? 0.603 0.387 0.515 0.023  0.032  0.021  38  ARG FFF NH1 
2818 N NH2 . ARG C 40  ? 0.622 0.422 0.535 0.040  0.030  0.059  38  ARG FFF NH2 
2819 N N   . GLN C 41  ? 0.473 0.430 0.408 -0.028 0.011  0.017  39  GLN FFF N   
2820 C CA  . GLN C 41  ? 0.516 0.495 0.447 -0.038 0.012  0.018  39  GLN FFF CA  
2821 C C   . GLN C 41  ? 0.548 0.517 0.465 -0.061 0.015  0.020  39  GLN FFF C   
2822 O O   . GLN C 41  ? 0.518 0.501 0.433 -0.071 0.016  0.012  39  GLN FFF O   
2823 C CB  . GLN C 41  ? 0.531 0.552 0.478 -0.031 0.010  0.013  39  GLN FFF CB  
2824 C CG  . GLN C 41  ? 0.559 0.616 0.505 -0.040 0.011  0.012  39  GLN FFF CG  
2825 C CD  . GLN C 41  ? 0.632 0.725 0.599 -0.023 0.011  0.003  39  GLN FFF CD  
2826 O OE1 . GLN C 41  ? 0.625 0.723 0.610 -0.009 0.012  0.004  39  GLN FFF OE1 
2827 N NE2 . GLN C 41  ? 0.699 0.819 0.670 -0.023 0.012  -0.006 39  GLN FFF NE2 
2828 N N   . ALA C 42  ? 0.593 0.539 0.500 -0.070 0.019  0.030  40  ALA FFF N   
2829 C CA  . ALA C 42  ? 0.693 0.622 0.589 -0.096 0.025  0.034  40  ALA FFF CA  
2830 C C   . ALA C 42  ? 0.716 0.697 0.611 -0.112 0.024  0.036  40  ALA FFF C   
2831 O O   . ALA C 42  ? 0.710 0.733 0.613 -0.099 0.019  0.036  40  ALA FFF O   
2832 C CB  . ALA C 42  ? 0.740 0.619 0.632 -0.095 0.031  0.051  40  ALA FFF CB  
2833 N N   . PRO C 43  ? 0.783 0.769 0.671 -0.143 0.029  0.033  41  PRO FFF N   
2834 C CA  . PRO C 43  ? 0.785 0.832 0.671 -0.159 0.027  0.035  41  PRO FFF CA  
2835 C C   . PRO C 43  ? 0.798 0.863 0.683 -0.156 0.026  0.055  41  PRO FFF C   
2836 O O   . PRO C 43  ? 0.771 0.793 0.652 -0.159 0.031  0.075  41  PRO FFF O   
2837 C CB  . PRO C 43  ? 0.863 0.901 0.740 -0.199 0.036  0.028  41  PRO FFF CB  
2838 C CG  . PRO C 43  ? 0.876 0.863 0.753 -0.199 0.040  0.012  41  PRO FFF CG  
2839 C CD  . PRO C 43  ? 0.851 0.788 0.733 -0.166 0.038  0.024  41  PRO FFF CD  
2840 N N   . GLY C 44  ? 0.763 0.895 0.655 -0.146 0.021  0.049  42  GLY FFF N   
2841 C CA  . GLY C 44  ? 0.823 0.997 0.717 -0.140 0.019  0.060  42  GLY FFF CA  
2842 C C   . GLY C 44  ? 0.848 0.994 0.745 -0.119 0.018  0.069  42  GLY FFF C   
2843 O O   . GLY C 44  ? 0.895 1.064 0.787 -0.124 0.019  0.090  42  GLY FFF O   
2844 N N   . LYS C 45  ? 0.741 0.849 0.645 -0.098 0.016  0.057  43  LYS FFF N   
2845 C CA  . LYS C 45  ? 0.719 0.819 0.628 -0.077 0.014  0.059  43  LYS FFF CA  
2846 C C   . LYS C 45  ? 0.642 0.756 0.568 -0.057 0.012  0.032  43  LYS FFF C   
2847 O O   . LYS C 45  ? 0.613 0.731 0.547 -0.054 0.012  0.019  43  LYS FFF O   
2848 C CB  . LYS C 45  ? 0.787 0.822 0.689 -0.073 0.017  0.076  43  LYS FFF CB  
2849 C CG  . LYS C 45  ? 0.889 0.895 0.780 -0.092 0.024  0.103  43  LYS FFF CG  
2850 C CD  . LYS C 45  ? 0.983 0.945 0.873 -0.080 0.029  0.130  43  LYS FFF CD  
2851 C CE  . LYS C 45  ? 1.138 1.099 1.025 -0.097 0.035  0.168  43  LYS FFF CE  
2852 N NZ  . LYS C 45  ? 1.272 1.158 1.161 -0.089 0.045  0.194  43  LYS FFF NZ  
2853 N N   . GLU C 46  ? 0.608 0.734 0.541 -0.044 0.011  0.025  44  GLU FFF N   
2854 C CA  . GLU C 46  ? 0.635 0.764 0.588 -0.029 0.012  -0.001 44  GLU FFF CA  
2855 C C   . GLU C 46  ? 0.561 0.631 0.514 -0.020 0.011  0.002  44  GLU FFF C   
2856 O O   . GLU C 46  ? 0.531 0.568 0.470 -0.022 0.011  0.019  44  GLU FFF O   
2857 C CB  . GLU C 46  ? 0.720 0.894 0.681 -0.025 0.013  -0.017 44  GLU FFF CB  
2858 C CG  . GLU C 46  ? 0.867 1.113 0.832 -0.032 0.014  -0.028 44  GLU FFF CG  
2859 C CD  . GLU C 46  ? 0.980 1.284 0.959 -0.030 0.018  -0.059 44  GLU FFF CD  
2860 O OE1 . GLU C 46  ? 1.005 1.350 1.002 -0.029 0.023  -0.089 44  GLU FFF OE1 
2861 O OE2 . GLU C 46  ? 1.056 1.372 1.030 -0.031 0.017  -0.056 44  GLU FFF OE2 
2862 N N   . ARG C 47  ? 0.531 0.594 0.504 -0.010 0.013  -0.012 45  ARG FFF N   
2863 C CA  . ARG C 47  ? 0.526 0.549 0.505 -0.002 0.013  -0.010 45  ARG FFF CA  
2864 C C   . ARG C 47  ? 0.527 0.542 0.504 0.001  0.013  -0.013 45  ARG FFF C   
2865 O O   . ARG C 47  ? 0.554 0.590 0.547 0.003  0.016  -0.032 45  ARG FFF O   
2866 C CB  . ARG C 47  ? 0.513 0.535 0.518 0.010  0.016  -0.019 45  ARG FFF CB  
2867 C CG  . ARG C 47  ? 0.525 0.519 0.534 0.015  0.016  -0.006 45  ARG FFF CG  
2868 C CD  . ARG C 47  ? 0.536 0.535 0.573 0.029  0.020  -0.004 45  ARG FFF CD  
2869 N NE  . ARG C 47  ? 0.518 0.550 0.555 0.031  0.020  0.001  45  ARG FFF NE  
2870 C CZ  . ARG C 47  ? 0.537 0.584 0.596 0.047  0.023  0.013  45  ARG FFF CZ  
2871 N NH1 . ARG C 47  ? 0.544 0.568 0.628 0.061  0.027  0.025  45  ARG FFF NH1 
2872 N NH2 . ARG C 47  ? 0.558 0.649 0.616 0.049  0.022  0.016  45  ARG FFF NH2 
2873 N N   . GLU C 48  ? 0.488 0.479 0.450 0.001  0.011  0.002  46  GLU FFF N   
2874 C CA  . GLU C 48  ? 0.502 0.499 0.462 0.006  0.010  0.002  46  GLU FFF CA  
2875 C C   . GLU C 48  ? 0.487 0.458 0.452 0.012  0.010  0.001  46  GLU FFF C   
2876 O O   . GLU C 48  ? 0.416 0.363 0.379 0.012  0.010  0.008  46  GLU FFF O   
2877 C CB  . GLU C 48  ? 0.563 0.559 0.504 0.008  0.010  0.023  46  GLU FFF CB  
2878 C CG  . GLU C 48  ? 0.684 0.634 0.614 0.009  0.011  0.036  46  GLU FFF CG  
2879 C CD  . GLU C 48  ? 0.849 0.785 0.768 0.013  0.013  0.059  46  GLU FFF CD  
2880 O OE1 . GLU C 48  ? 0.716 0.611 0.631 0.020  0.017  0.065  46  GLU FFF OE1 
2881 O OE2 . GLU C 48  ? 0.961 0.931 0.878 0.011  0.013  0.073  46  GLU FFF OE2 
2882 N N   . PHE C 49  ? 0.390 0.440 0.297 -0.012 -0.010 0.045  47  PHE FFF N   
2883 C CA  . PHE C 49  ? 0.392 0.426 0.298 -0.007 -0.012 0.036  47  PHE FFF CA  
2884 C C   . PHE C 49  ? 0.407 0.421 0.314 -0.011 -0.015 0.037  47  PHE FFF C   
2885 O O   . PHE C 49  ? 0.406 0.414 0.312 -0.014 -0.017 0.043  47  PHE FFF O   
2886 C CB  . PHE C 49  ? 0.423 0.456 0.324 -0.000 -0.012 0.033  47  PHE FFF CB  
2887 C CG  . PHE C 49  ? 0.419 0.440 0.321 0.003  -0.013 0.025  47  PHE FFF CG  
2888 C CD1 . PHE C 49  ? 0.422 0.444 0.325 0.005  -0.012 0.019  47  PHE FFF CD1 
2889 C CD2 . PHE C 49  ? 0.425 0.435 0.328 0.004  -0.015 0.026  47  PHE FFF CD2 
2890 C CE1 . PHE C 49  ? 0.418 0.431 0.321 0.007  -0.014 0.014  47  PHE FFF CE1 
2891 C CE2 . PHE C 49  ? 0.434 0.438 0.338 0.007  -0.015 0.020  47  PHE FFF CE2 
2892 C CZ  . PHE C 49  ? 0.432 0.438 0.337 0.008  -0.015 0.015  47  PHE FFF CZ  
2893 N N   . VAL C 50  ? 0.398 0.403 0.307 -0.011 -0.016 0.031  48  VAL FFF N   
2894 C CA  . VAL C 50  ? 0.428 0.413 0.336 -0.012 -0.019 0.029  48  VAL FFF CA  
2895 C C   . VAL C 50  ? 0.433 0.414 0.340 -0.004 -0.018 0.022  48  VAL FFF C   
2896 O O   . VAL C 50  ? 0.404 0.375 0.310 -0.001 -0.020 0.022  48  VAL FFF O   
2897 C CB  . VAL C 50  ? 0.444 0.425 0.353 -0.018 -0.021 0.026  48  VAL FFF CB  
2898 C CG1 . VAL C 50  ? 0.443 0.403 0.349 -0.017 -0.024 0.022  48  VAL FFF CG1 
2899 C CG2 . VAL C 50  ? 0.470 0.458 0.381 -0.027 -0.022 0.035  48  VAL FFF CG2 
2900 N N   . ALA C 51  ? 0.407 0.394 0.314 -0.002 -0.016 0.016  49  ALA FFF N   
2901 C CA  . ALA C 51  ? 0.423 0.406 0.330 0.003  -0.015 0.011  49  ALA FFF CA  
2902 C C   . ALA C 51  ? 0.408 0.400 0.314 0.004  -0.014 0.007  49  ALA FFF C   
2903 O O   . ALA C 51  ? 0.414 0.410 0.320 0.001  -0.014 0.007  49  ALA FFF O   
2904 C CB  . ALA C 51  ? 0.441 0.413 0.347 0.004  -0.016 0.007  49  ALA FFF CB  
2905 N N   . GLY C 52  ? 0.396 0.390 0.303 0.007  -0.014 0.005  50  GLY FFF N   
2906 C CA  . GLY C 52  ? 0.368 0.366 0.274 0.007  -0.014 0.003  50  GLY FFF CA  
2907 C C   . GLY C 52  ? 0.358 0.358 0.265 0.008  -0.013 0.001  50  GLY FFF C   
2908 O O   . GLY C 52  ? 0.366 0.366 0.275 0.010  -0.012 0.000  50  GLY FFF O   
2909 N N   . MET C 53  ? 0.361 0.364 0.267 0.006  -0.014 0.000  51  MET FFF N   
2910 C CA  . MET C 53  ? 0.378 0.384 0.285 0.005  -0.015 0.000  51  MET FFF CA  
2911 C C   . MET C 53  ? 0.356 0.361 0.261 0.003  -0.018 0.002  51  MET FFF C   
2912 O O   . MET C 53  ? 0.355 0.356 0.257 0.003  -0.020 0.001  51  MET FFF O   
2913 C CB  . MET C 53  ? 0.357 0.364 0.262 0.003  -0.013 -0.001 51  MET FFF CB  
2914 C CG  . MET C 53  ? 0.415 0.430 0.321 0.001  -0.012 0.001  51  MET FFF CG  
2915 S SD  . MET C 53  ? 0.465 0.483 0.367 -0.000 -0.010 -0.001 51  MET FFF SD  
2916 C CE  . MET C 53  ? 0.473 0.496 0.376 0.006  -0.005 -0.006 51  MET FFF CE  
2917 N N   . ARG C 54  ? 0.350 0.358 0.257 0.001  -0.020 0.003  52  ARG FFF N   
2918 C CA  . ARG C 54  ? 0.383 0.387 0.287 -0.002 -0.026 0.005  52  ARG FFF CA  
2919 C C   . ARG C 54  ? 0.420 0.422 0.322 -0.006 -0.027 0.006  52  ARG FFF C   
2920 O O   . ARG C 54  ? 0.377 0.386 0.281 -0.007 -0.023 0.007  52  ARG FFF O   
2921 C CB  . ARG C 54  ? 0.392 0.402 0.301 -0.005 -0.028 0.007  52  ARG FFF CB  
2922 C CG  . ARG C 54  ? 0.410 0.422 0.320 -0.001 -0.028 0.006  52  ARG FFF CG  
2923 C CD  . ARG C 54  ? 0.396 0.400 0.300 0.002  -0.032 0.004  52  ARG FFF CD  
2924 N NE  . ARG C 54  ? 0.398 0.406 0.303 0.005  -0.032 0.004  52  ARG FFF NE  
2925 C CZ  . ARG C 54  ? 0.395 0.400 0.294 0.008  -0.034 0.002  52  ARG FFF CZ  
2926 N NH1 . ARG C 54  ? 0.402 0.399 0.294 0.010  -0.037 -0.002 52  ARG FFF NH1 
2927 N NH2 . ARG C 54  ? 0.393 0.402 0.291 0.011  -0.034 0.003  52  ARG FFF NH2 
2928 N N   . TRP C 55  ? 0.401 0.394 0.299 -0.008 -0.033 0.007  53  TRP FFF N   
2929 C CA  . TRP C 55  ? 0.419 0.407 0.314 -0.012 -0.035 0.010  53  TRP FFF CA  
2930 C C   . TRP C 55  ? 0.428 0.426 0.327 -0.019 -0.034 0.015  53  TRP FFF C   
2931 O O   . TRP C 55  ? 0.423 0.424 0.320 -0.022 -0.034 0.018  53  TRP FFF O   
2932 C CB  . TRP C 55  ? 0.411 0.385 0.301 -0.012 -0.044 0.009  53  TRP FFF CB  
2933 C CG  . TRP C 55  ? 0.429 0.399 0.319 -0.018 -0.050 0.012  53  TRP FFF CG  
2934 C CD1 . TRP C 55  ? 0.472 0.439 0.362 -0.027 -0.054 0.019  53  TRP FFF CD1 
2935 C CD2 . TRP C 55  ? 0.421 0.386 0.310 -0.016 -0.054 0.009  53  TRP FFF CD2 
2936 N NE1 . TRP C 55  ? 0.465 0.428 0.356 -0.032 -0.061 0.020  53  TRP FFF NE1 
2937 C CE2 . TRP C 55  ? 0.435 0.395 0.324 -0.025 -0.061 0.014  53  TRP FFF CE2 
2938 C CE3 . TRP C 55  ? 0.430 0.396 0.317 -0.009 -0.052 0.003  53  TRP FFF CE3 
2939 C CZ2 . TRP C 55  ? 0.449 0.405 0.337 -0.027 -0.067 0.012  53  TRP FFF CZ2 
2940 C CZ3 . TRP C 55  ? 0.451 0.413 0.337 -0.010 -0.057 0.002  53  TRP FFF CZ3 
2941 C CH2 . TRP C 55  ? 0.470 0.426 0.355 -0.018 -0.065 0.005  53  TRP FFF CH2 
2942 N N   . THR C 56  ? 0.415 0.422 0.319 -0.021 -0.034 0.017  54  THR FFF N   
2943 C CA  . THR C 56  ? 0.452 0.473 0.361 -0.028 -0.033 0.022  54  THR FFF CA  
2944 C C   . THR C 56  ? 0.417 0.452 0.328 -0.025 -0.024 0.021  54  THR FFF C   
2945 O O   . THR C 56  ? 0.424 0.473 0.337 -0.029 -0.022 0.026  54  THR FFF O   
2946 C CB  . THR C 56  ? 0.487 0.517 0.403 -0.029 -0.033 0.023  54  THR FFF CB  
2947 O OG1 . THR C 56  ? 0.475 0.509 0.393 -0.020 -0.028 0.018  54  THR FFF OG1 
2948 C CG2 . THR C 56  ? 0.497 0.514 0.410 -0.032 -0.042 0.023  54  THR FFF CG2 
2949 N N   . GLY C 57  ? 0.417 0.448 0.326 -0.017 -0.020 0.015  55  GLY FFF N   
2950 C CA  . GLY C 57  ? 0.437 0.478 0.346 -0.013 -0.013 0.012  55  GLY FFF CA  
2951 C C   . GLY C 57  ? 0.463 0.518 0.379 -0.009 -0.009 0.012  55  GLY FFF C   
2952 O O   . GLY C 57  ? 0.487 0.548 0.402 -0.003 -0.004 0.008  55  GLY FFF O   
2953 N N   . SER C 58  ? 0.420 0.480 0.342 -0.011 -0.012 0.015  56  SER FFF N   
2954 C CA  . SER C 58  ? 0.432 0.509 0.362 -0.006 -0.009 0.015  56  SER FFF CA  
2955 C C   . SER C 58  ? 0.407 0.476 0.339 -0.000 -0.010 0.012  56  SER FFF C   
2956 O O   . SER C 58  ? 0.483 0.565 0.423 0.003  -0.010 0.014  56  SER FFF O   
2957 C CB  . SER C 58  ? 0.447 0.541 0.384 -0.014 -0.011 0.023  56  SER FFF CB  
2958 O OG  . SER C 58  ? 0.474 0.556 0.411 -0.020 -0.019 0.025  56  SER FFF OG  
2959 N N   . SER C 59  ? 0.372 0.424 0.299 0.001  -0.012 0.010  57  SER FFF N   
2960 C CA  . SER C 59  ? 0.382 0.428 0.310 0.006  -0.014 0.008  57  SER FFF CA  
2961 C C   . SER C 59  ? 0.357 0.389 0.279 0.009  -0.012 0.004  57  SER FFF C   
2962 O O   . SER C 59  ? 0.380 0.404 0.297 0.006  -0.014 0.004  57  SER FFF O   
2963 C CB  . SER C 59  ? 0.445 0.487 0.373 0.003  -0.019 0.010  57  SER FFF CB  
2964 O OG  . SER C 59  ? 0.429 0.464 0.355 0.007  -0.020 0.009  57  SER FFF OG  
2965 N N   . THR C 60  ? 0.350 0.379 0.273 0.015  -0.011 0.003  58  THR FFF N   
2966 C CA  . THR C 60  ? 0.352 0.367 0.270 0.016  -0.011 0.001  58  THR FFF CA  
2967 C C   . THR C 60  ? 0.358 0.370 0.278 0.019  -0.013 0.003  58  THR FFF C   
2968 O O   . THR C 60  ? 0.363 0.382 0.288 0.022  -0.014 0.005  58  THR FFF O   
2969 C CB  . THR C 60  ? 0.389 0.400 0.305 0.020  -0.008 -0.003 58  THR FFF CB  
2970 O OG1 . THR C 60  ? 0.434 0.450 0.354 0.026  -0.007 -0.005 58  THR FFF OG1 
2971 C CG2 . THR C 60  ? 0.405 0.421 0.318 0.016  -0.006 -0.005 58  THR FFF CG2 
2972 N N   . PHE C 61  ? 0.356 0.359 0.272 0.018  -0.013 0.004  59  PHE FFF N   
2973 C CA  . PHE C 61  ? 0.369 0.369 0.285 0.020  -0.016 0.008  59  PHE FFF CA  
2974 C C   . PHE C 61  ? 0.358 0.349 0.271 0.018  -0.016 0.009  59  PHE FFF C   
2975 O O   . PHE C 61  ? 0.391 0.379 0.302 0.014  -0.015 0.008  59  PHE FFF O   
2976 C CB  . PHE C 61  ? 0.370 0.377 0.285 0.018  -0.018 0.010  59  PHE FFF CB  
2977 C CG  . PHE C 61  ? 0.386 0.393 0.297 0.014  -0.018 0.008  59  PHE FFF CG  
2978 C CD1 . PHE C 61  ? 0.402 0.407 0.309 0.013  -0.017 0.008  59  PHE FFF CD1 
2979 C CD2 . PHE C 61  ? 0.402 0.412 0.314 0.012  -0.018 0.006  59  PHE FFF CD2 
2980 C CE1 . PHE C 61  ? 0.383 0.389 0.288 0.012  -0.017 0.006  59  PHE FFF CE1 
2981 C CE2 . PHE C 61  ? 0.406 0.414 0.314 0.010  -0.019 0.004  59  PHE FFF CE2 
2982 C CZ  . PHE C 61  ? 0.395 0.400 0.299 0.011  -0.019 0.004  59  PHE FFF CZ  
2983 N N   . TYR C 62  ? 0.373 0.358 0.286 0.020  -0.018 0.014  60  TYR FFF N   
2984 C CA  . TYR C 62  ? 0.392 0.365 0.303 0.017  -0.019 0.016  60  TYR FFF CA  
2985 C C   . TYR C 62  ? 0.408 0.381 0.317 0.015  -0.021 0.024  60  TYR FFF C   
2986 O O   . TYR C 62  ? 0.372 0.348 0.282 0.019  -0.023 0.027  60  TYR FFF O   
2987 C CB  . TYR C 62  ? 0.416 0.377 0.327 0.022  -0.021 0.013  60  TYR FFF CB  
2988 C CG  . TYR C 62  ? 0.401 0.364 0.312 0.025  -0.018 0.006  60  TYR FFF CG  
2989 C CD1 . TYR C 62  ? 0.427 0.385 0.335 0.020  -0.018 0.002  60  TYR FFF CD1 
2990 C CD2 . TYR C 62  ? 0.436 0.410 0.351 0.030  -0.016 0.003  60  TYR FFF CD2 
2991 C CE1 . TYR C 62  ? 0.431 0.394 0.338 0.022  -0.015 -0.004 60  TYR FFF CE1 
2992 C CE2 . TYR C 62  ? 0.416 0.396 0.331 0.032  -0.013 -0.003 60  TYR FFF CE2 
2993 C CZ  . TYR C 62  ? 0.456 0.429 0.366 0.028  -0.013 -0.006 60  TYR FFF CZ  
2994 O OH  . TYR C 62  ? 0.438 0.418 0.347 0.029  -0.010 -0.012 60  TYR FFF OH  
2995 N N   . SER C 63  ? 0.441 0.413 0.348 0.009  -0.022 0.029  61  SER FFF N   
2996 C CA  . SER C 63  ? 0.470 0.441 0.375 0.006  -0.024 0.038  61  SER FFF CA  
2997 C C   . SER C 63  ? 0.436 0.391 0.341 0.009  -0.028 0.041  61  SER FFF C   
2998 O O   . SER C 63  ? 0.428 0.370 0.334 0.011  -0.030 0.035  61  SER FFF O   
2999 C CB  . SER C 63  ? 0.508 0.482 0.412 -0.003 -0.024 0.043  61  SER FFF CB  
3000 O OG  . SER C 63  ? 0.612 0.571 0.516 -0.007 -0.026 0.042  61  SER FFF OG  
3001 N N   . ASP C 64  ? 0.412 0.367 0.315 0.008  -0.031 0.049  62  ASP FFF N   
3002 C CA  . ASP C 64  ? 0.459 0.397 0.362 0.012  -0.036 0.054  62  ASP FFF CA  
3003 C C   . ASP C 64  ? 0.476 0.394 0.378 0.006  -0.040 0.056  62  ASP FFF C   
3004 O O   . ASP C 64  ? 0.466 0.365 0.367 0.011  -0.045 0.055  62  ASP FFF O   
3005 C CB  . ASP C 64  ? 0.458 0.401 0.358 0.011  -0.039 0.065  62  ASP FFF CB  
3006 C CG  . ASP C 64  ? 0.483 0.442 0.383 0.017  -0.037 0.063  62  ASP FFF CG  
3007 O OD1 . ASP C 64  ? 0.506 0.471 0.410 0.022  -0.035 0.054  62  ASP FFF OD1 
3008 O OD2 . ASP C 64  ? 0.447 0.413 0.344 0.015  -0.039 0.072  62  ASP FFF OD2 
3009 N N   . SER C 65  ? 0.459 0.381 0.359 -0.004 -0.039 0.059  63  SER FFF N   
3010 C CA  . SER C 65  ? 0.537 0.440 0.436 -0.012 -0.045 0.062  63  SER FFF CA  
3011 C C   . SER C 65  ? 0.522 0.411 0.421 -0.008 -0.045 0.049  63  SER FFF C   
3012 O O   . SER C 65  ? 0.556 0.422 0.452 -0.010 -0.051 0.049  63  SER FFF O   
3013 C CB  . SER C 65  ? 0.566 0.480 0.466 -0.025 -0.043 0.069  63  SER FFF CB  
3014 O OG  . SER C 65  ? 0.731 0.663 0.633 -0.024 -0.037 0.061  63  SER FFF OG  
3015 N N   . VAL C 66  ? 0.532 0.434 0.433 -0.001 -0.040 0.039  64  VAL FFF N   
3016 C CA  . VAL C 66  ? 0.485 0.376 0.384 0.002  -0.040 0.028  64  VAL FFF CA  
3017 C C   . VAL C 66  ? 0.486 0.379 0.386 0.015  -0.037 0.020  64  VAL FFF C   
3018 O O   . VAL C 66  ? 0.485 0.370 0.383 0.020  -0.037 0.011  64  VAL FFF O   
3019 C CB  . VAL C 66  ? 0.470 0.375 0.370 -0.004 -0.036 0.024  64  VAL FFF CB  
3020 C CG1 . VAL C 66  ? 0.474 0.383 0.375 -0.017 -0.038 0.033  64  VAL FFF CG1 
3021 C CG2 . VAL C 66  ? 0.438 0.365 0.341 0.000  -0.029 0.021  64  VAL FFF CG2 
3022 N N   . LYS C 67  ? 0.477 0.380 0.380 0.021  -0.036 0.023  65  LYS FFF N   
3023 C CA  . LYS C 67  ? 0.505 0.415 0.411 0.033  -0.033 0.016  65  LYS FFF CA  
3024 C C   . LYS C 67  ? 0.515 0.406 0.419 0.042  -0.037 0.011  65  LYS FFF C   
3025 O O   . LYS C 67  ? 0.547 0.419 0.449 0.042  -0.044 0.016  65  LYS FFF O   
3026 C CB  . LYS C 67  ? 0.589 0.514 0.500 0.037  -0.032 0.021  65  LYS FFF CB  
3027 C CG  . LYS C 67  ? 0.583 0.522 0.499 0.046  -0.029 0.015  65  LYS FFF CG  
3028 C CD  . LYS C 67  ? 0.636 0.592 0.557 0.047  -0.029 0.020  65  LYS FFF CD  
3029 C CE  . LYS C 67  ? 0.638 0.609 0.565 0.055  -0.026 0.015  65  LYS FFF CE  
3030 N NZ  . LYS C 67  ? 0.710 0.696 0.639 0.050  -0.022 0.012  65  LYS FFF NZ  
3031 N N   . GLY C 68  ? 0.530 0.425 0.435 0.050  -0.034 0.001  66  GLY FFF N   
3032 C CA  . GLY C 68  ? 0.568 0.446 0.469 0.062  -0.037 -0.007 66  GLY FFF CA  
3033 C C   . GLY C 68  ? 0.619 0.475 0.511 0.057  -0.041 -0.013 66  GLY FFF C   
3034 O O   . GLY C 68  ? 0.659 0.500 0.546 0.067  -0.044 -0.022 66  GLY FFF O   
3035 N N   . ARG C 69  ? 0.574 0.430 0.465 0.043  -0.042 -0.008 67  ARG FFF N   
3036 C CA  . ARG C 69  ? 0.563 0.399 0.445 0.036  -0.046 -0.013 67  ARG FFF CA  
3037 C C   . ARG C 69  ? 0.530 0.384 0.412 0.030  -0.041 -0.017 67  ARG FFF C   
3038 O O   . ARG C 69  ? 0.547 0.393 0.423 0.030  -0.042 -0.026 67  ARG FFF O   
3039 C CB  . ARG C 69  ? 0.580 0.401 0.462 0.023  -0.053 -0.002 67  ARG FFF CB  
3040 C CG  . ARG C 69  ? 0.596 0.394 0.476 0.028  -0.061 0.003  67  ARG FFF CG  
3041 C CD  . ARG C 69  ? 0.603 0.382 0.480 0.013  -0.069 0.013  67  ARG FFF CD  
3042 N NE  . ARG C 69  ? 0.589 0.391 0.472 0.001  -0.065 0.024  67  ARG FFF NE  
3043 C CZ  . ARG C 69  ? 0.596 0.404 0.480 -0.013 -0.065 0.028  67  ARG FFF CZ  
3044 N NH1 . ARG C 69  ? 0.599 0.391 0.478 -0.018 -0.070 0.022  67  ARG FFF NH1 
3045 N NH2 . ARG C 69  ? 0.602 0.433 0.491 -0.022 -0.061 0.038  67  ARG FFF NH2 
3046 N N   . PHE C 70  ? 0.489 0.366 0.377 0.024  -0.036 -0.011 68  PHE FFF N   
3047 C CA  . PHE C 70  ? 0.489 0.382 0.378 0.018  -0.031 -0.013 68  PHE FFF CA  
3048 C C   . PHE C 70  ? 0.463 0.376 0.355 0.026  -0.025 -0.017 68  PHE FFF C   
3049 O O   . PHE C 70  ? 0.477 0.398 0.374 0.031  -0.023 -0.014 68  PHE FFF O   
3050 C CB  . PHE C 70  ? 0.467 0.372 0.360 0.007  -0.031 -0.004 68  PHE FFF CB  
3051 C CG  . PHE C 70  ? 0.491 0.383 0.383 -0.003 -0.036 0.001  68  PHE FFF CG  
3052 C CD1 . PHE C 70  ? 0.515 0.382 0.402 -0.004 -0.043 0.000  68  PHE FFF CD1 
3053 C CD2 . PHE C 70  ? 0.467 0.374 0.363 -0.012 -0.035 0.008  68  PHE FFF CD2 
3054 C CE1 . PHE C 70  ? 0.546 0.404 0.432 -0.017 -0.049 0.007  68  PHE FFF CE1 
3055 C CE2 . PHE C 70  ? 0.491 0.393 0.387 -0.024 -0.040 0.014  68  PHE FFF CE2 
3056 C CZ  . PHE C 70  ? 0.525 0.402 0.416 -0.027 -0.047 0.015  68  PHE FFF CZ  
3057 N N   . THR C 71  ? 0.465 0.387 0.355 0.025  -0.021 -0.022 69  THR FFF N   
3058 C CA  A THR C 71  ? 0.476 0.419 0.369 0.029  -0.016 -0.023 69  THR FFF CA  
3059 C CA  B THR C 71  ? 0.442 0.385 0.335 0.029  -0.016 -0.023 69  THR FFF CA  
3060 C C   . THR C 71  ? 0.453 0.407 0.346 0.020  -0.014 -0.021 69  THR FFF C   
3061 O O   . THR C 71  ? 0.458 0.404 0.347 0.015  -0.017 -0.023 69  THR FFF O   
3062 C CB  A THR C 71  ? 0.548 0.493 0.437 0.038  -0.013 -0.032 69  THR FFF CB  
3063 C CB  B THR C 71  ? 0.463 0.410 0.354 0.039  -0.013 -0.031 69  THR FFF CB  
3064 O OG1 A THR C 71  ? 0.618 0.550 0.506 0.048  -0.016 -0.035 69  THR FFF OG1 
3065 O OG1 B THR C 71  ? 0.429 0.368 0.310 0.038  -0.014 -0.038 69  THR FFF OG1 
3066 C CG2 A THR C 71  ? 0.562 0.530 0.455 0.041  -0.008 -0.031 69  THR FFF CG2 
3067 C CG2 B THR C 71  ? 0.480 0.419 0.372 0.049  -0.015 -0.032 69  THR FFF CG2 
3068 N N   . VAL C 72  ? 0.422 0.391 0.319 0.020  -0.011 -0.018 70  VAL FFF N   
3069 C CA  . VAL C 72  ? 0.461 0.439 0.357 0.014  -0.010 -0.017 70  VAL FFF CA  
3070 C C   . VAL C 72  ? 0.426 0.416 0.321 0.016  -0.006 -0.019 70  VAL FFF C   
3071 O O   . VAL C 72  ? 0.432 0.431 0.331 0.021  -0.004 -0.018 70  VAL FFF O   
3072 C CB  . VAL C 72  ? 0.445 0.429 0.346 0.010  -0.010 -0.010 70  VAL FFF CB  
3073 C CG1 . VAL C 72  ? 0.476 0.467 0.376 0.006  -0.010 -0.009 70  VAL FFF CG1 
3074 C CG2 . VAL C 72  ? 0.508 0.484 0.410 0.008  -0.013 -0.007 70  VAL FFF CG2 
3075 N N   . SER C 73  ? 0.418 0.411 0.308 0.013  -0.006 -0.021 71  SER FFF N   
3076 C CA  . SER C 73  ? 0.400 0.407 0.289 0.014  -0.003 -0.021 71  SER FFF CA  
3077 C C   . SER C 73  ? 0.400 0.410 0.286 0.007  -0.004 -0.018 71  SER FFF C   
3078 O O   . SER C 73  ? 0.418 0.420 0.303 0.003  -0.008 -0.017 71  SER FFF O   
3079 C CB  . SER C 73  ? 0.443 0.451 0.325 0.020  -0.001 -0.028 71  SER FFF CB  
3080 O OG  . SER C 73  ? 0.445 0.444 0.319 0.017  -0.003 -0.033 71  SER FFF OG  
3081 N N   . ARG C 74  ? 0.404 0.426 0.289 0.005  -0.003 -0.015 72  ARG FFF N   
3082 C CA  . ARG C 74  ? 0.419 0.444 0.301 -0.001 -0.005 -0.011 72  ARG FFF CA  
3083 C C   . ARG C 74  ? 0.402 0.438 0.277 -0.002 -0.002 -0.011 72  ARG FFF C   
3084 O O   . ARG C 74  ? 0.409 0.458 0.286 0.001  0.002  -0.011 72  ARG FFF O   
3085 C CB  . ARG C 74  ? 0.416 0.441 0.304 -0.004 -0.007 -0.004 72  ARG FFF CB  
3086 C CG  . ARG C 74  ? 0.455 0.478 0.340 -0.009 -0.011 0.000  72  ARG FFF CG  
3087 C CD  . ARG C 74  ? 0.457 0.476 0.346 -0.011 -0.015 0.005  72  ARG FFF CD  
3088 N NE  . ARG C 74  ? 0.425 0.453 0.316 -0.015 -0.014 0.010  72  ARG FFF NE  
3089 C CZ  . ARG C 74  ? 0.442 0.466 0.336 -0.018 -0.019 0.014  72  ARG FFF CZ  
3090 N NH1 . ARG C 74  ? 0.497 0.508 0.390 -0.016 -0.023 0.013  72  ARG FFF NH1 
3091 N NH2 . ARG C 74  ? 0.444 0.477 0.340 -0.024 -0.019 0.020  72  ARG FFF NH2 
3092 N N   . ASN C 75  ? 0.394 0.429 0.262 -0.005 -0.004 -0.010 73  ASN FFF N   
3093 C CA  . ASN C 75  ? 0.418 0.466 0.278 -0.006 -0.002 -0.010 73  ASN FFF CA  
3094 C C   . ASN C 75  ? 0.408 0.468 0.271 -0.011 -0.001 -0.001 73  ASN FFF C   
3095 O O   . ASN C 75  ? 0.401 0.457 0.271 -0.014 -0.004 0.004  73  ASN FFF O   
3096 C CB  . ASN C 75  ? 0.426 0.469 0.277 -0.009 -0.005 -0.012 73  ASN FFF CB  
3097 C CG  . ASN C 75  ? 0.441 0.478 0.294 -0.014 -0.011 -0.005 73  ASN FFF CG  
3098 O OD1 . ASN C 75  ? 0.394 0.427 0.254 -0.015 -0.012 -0.000 73  ASN FFF OD1 
3099 N ND2 . ASN C 75  ? 0.453 0.490 0.299 -0.017 -0.014 -0.005 73  ASN FFF ND2 
3100 N N   . ASN C 76  ? 0.418 0.494 0.274 -0.012 0.003  0.001  74  ASN FFF N   
3101 C CA  . ASN C 76  ? 0.428 0.520 0.288 -0.019 0.003  0.012  74  ASN FFF CA  
3102 C C   . ASN C 76  ? 0.432 0.512 0.290 -0.027 -0.004 0.020  74  ASN FFF C   
3103 O O   . ASN C 76  ? 0.438 0.520 0.302 -0.033 -0.006 0.029  74  ASN FFF O   
3104 C CB  . ASN C 76  ? 0.480 0.593 0.331 -0.019 0.009  0.012  74  ASN FFF CB  
3105 C CG  . ASN C 76  ? 0.537 0.665 0.391 -0.010 0.016  0.005  74  ASN FFF CG  
3106 O OD1 . ASN C 76  ? 0.566 0.687 0.429 -0.006 0.016  0.002  74  ASN FFF OD1 
3107 N ND2 . ASN C 76  ? 0.597 0.743 0.443 -0.005 0.022  0.002  74  ASN FFF ND2 
3108 N N   . ALA C 77  ? 0.401 0.470 0.253 -0.027 -0.008 0.018  75  ALA FFF N   
3109 C CA  . ALA C 77  ? 0.419 0.476 0.270 -0.032 -0.015 0.025  75  ALA FFF CA  
3110 C C   . ALA C 77  ? 0.423 0.466 0.283 -0.031 -0.019 0.025  75  ALA FFF C   
3111 O O   . ALA C 77  ? 0.425 0.458 0.285 -0.034 -0.026 0.031  75  ALA FFF O   
3112 C CB  . ALA C 77  ? 0.434 0.487 0.277 -0.031 -0.018 0.022  75  ALA FFF CB  
3113 N N   . LYS C 78  ? 0.408 0.448 0.273 -0.026 -0.016 0.018  76  LYS FFF N   
3114 C CA  . LYS C 78  ? 0.419 0.447 0.292 -0.023 -0.019 0.017  76  LYS FFF CA  
3115 C C   . LYS C 78  ? 0.400 0.417 0.272 -0.021 -0.024 0.015  76  LYS FFF C   
3116 O O   . LYS C 78  ? 0.432 0.440 0.307 -0.019 -0.027 0.015  76  LYS FFF O   
3117 C CB  . LYS C 78  ? 0.433 0.460 0.310 -0.028 -0.023 0.024  76  LYS FFF CB  
3118 C CG  . LYS C 78  ? 0.476 0.517 0.355 -0.033 -0.019 0.029  76  LYS FFF CG  
3119 C CD  . LYS C 78  ? 0.551 0.589 0.432 -0.041 -0.025 0.037  76  LYS FFF CD  
3120 C CE  . LYS C 78  ? 0.686 0.744 0.572 -0.046 -0.021 0.043  76  LYS FFF CE  
3121 N NZ  . LYS C 78  ? 0.864 0.917 0.753 -0.056 -0.029 0.052  76  LYS FFF NZ  
3122 N N   . ASP C 79  ? 0.406 0.425 0.273 -0.020 -0.024 0.012  77  ASP FFF N   
3123 C CA  . ASP C 79  ? 0.380 0.392 0.247 -0.018 -0.028 0.011  77  ASP FFF CA  
3124 C C   . ASP C 79  ? 0.385 0.398 0.255 -0.015 -0.026 0.004  77  ASP FFF C   
3125 O O   . ASP C 79  ? 0.402 0.414 0.274 -0.014 -0.029 0.004  77  ASP FFF O   
3126 C CB  . ASP C 79  ? 0.403 0.417 0.263 -0.020 -0.032 0.016  77  ASP FFF CB  
3127 C CG  . ASP C 79  ? 0.451 0.474 0.304 -0.023 -0.029 0.013  77  ASP FFF CG  
3128 O OD1 . ASP C 79  ? 0.465 0.491 0.318 -0.021 -0.025 0.006  77  ASP FFF OD1 
3129 O OD2 . ASP C 79  ? 0.436 0.463 0.282 -0.026 -0.032 0.019  77  ASP FFF OD2 
3130 N N   . THR C 80  ? 0.384 0.400 0.254 -0.014 -0.021 -0.000 78  THR FFF N   
3131 C CA  . THR C 80  ? 0.389 0.402 0.260 -0.013 -0.020 -0.006 78  THR FFF CA  
3132 C C   . THR C 80  ? 0.385 0.395 0.260 -0.010 -0.017 -0.009 78  THR FFF C   
3133 O O   . THR C 80  ? 0.398 0.412 0.272 -0.009 -0.013 -0.010 78  THR FFF O   
3134 C CB  . THR C 80  ? 0.414 0.428 0.277 -0.014 -0.021 -0.010 78  THR FFF CB  
3135 O OG1 . THR C 80  ? 0.457 0.475 0.316 -0.017 -0.025 -0.006 78  THR FFF OG1 
3136 C CG2 . THR C 80  ? 0.425 0.433 0.289 -0.015 -0.022 -0.015 78  THR FFF CG2 
3137 N N   . VAL C 81  ? 0.392 0.397 0.272 -0.009 -0.017 -0.009 79  VAL FFF N   
3138 C CA  . VAL C 81  ? 0.379 0.380 0.263 -0.006 -0.015 -0.011 79  VAL FFF CA  
3139 C C   . VAL C 81  ? 0.382 0.376 0.265 -0.007 -0.016 -0.015 79  VAL FFF C   
3140 O O   . VAL C 81  ? 0.403 0.397 0.286 -0.011 -0.019 -0.014 79  VAL FFF O   
3141 C CB  . VAL C 81  ? 0.370 0.372 0.260 -0.005 -0.015 -0.007 79  VAL FFF CB  
3142 C CG1 . VAL C 81  ? 0.430 0.428 0.324 -0.003 -0.014 -0.008 79  VAL FFF CG1 
3143 C CG2 . VAL C 81  ? 0.376 0.381 0.266 -0.005 -0.016 -0.004 79  VAL FFF CG2 
3144 N N   . TYR C 82  ? 0.376 0.365 0.258 -0.004 -0.014 -0.019 80  TYR FFF N   
3145 C CA  . TYR C 82  ? 0.404 0.381 0.282 -0.004 -0.017 -0.023 80  TYR FFF CA  
3146 C C   . TYR C 82  ? 0.412 0.383 0.296 -0.003 -0.017 -0.021 80  TYR FFF C   
3147 O O   . TYR C 82  ? 0.402 0.376 0.289 0.002  -0.014 -0.019 80  TYR FFF O   
3148 C CB  . TYR C 82  ? 0.438 0.413 0.309 0.000  -0.015 -0.030 80  TYR FFF CB  
3149 C CG  . TYR C 82  ? 0.446 0.429 0.310 -0.002 -0.015 -0.032 80  TYR FFF CG  
3150 C CD1 . TYR C 82  ? 0.469 0.448 0.329 -0.007 -0.020 -0.033 80  TYR FFF CD1 
3151 C CD2 . TYR C 82  ? 0.466 0.461 0.328 0.001  -0.011 -0.031 80  TYR FFF CD2 
3152 C CE1 . TYR C 82  ? 0.473 0.460 0.325 -0.009 -0.020 -0.034 80  TYR FFF CE1 
3153 C CE2 . TYR C 82  ? 0.520 0.523 0.375 -0.002 -0.011 -0.031 80  TYR FFF CE2 
3154 C CZ  . TYR C 82  ? 0.500 0.498 0.349 -0.006 -0.016 -0.033 80  TYR FFF CZ  
3155 O OH  . TYR C 82  ? 0.516 0.522 0.358 -0.008 -0.017 -0.032 80  TYR FFF OH  
3156 N N   . LEU C 83  ? 0.437 0.399 0.322 -0.007 -0.021 -0.020 81  LEU FFF N   
3157 C CA  . LEU C 83  ? 0.436 0.386 0.322 -0.006 -0.022 -0.018 81  LEU FFF CA  
3158 C C   . LEU C 83  ? 0.436 0.369 0.316 -0.005 -0.026 -0.024 81  LEU FFF C   
3159 O O   . LEU C 83  ? 0.425 0.351 0.301 -0.012 -0.031 -0.025 81  LEU FFF O   
3160 C CB  . LEU C 83  ? 0.417 0.371 0.309 -0.013 -0.024 -0.010 81  LEU FFF CB  
3161 C CG  . LEU C 83  ? 0.453 0.397 0.347 -0.013 -0.026 -0.006 81  LEU FFF CG  
3162 C CD1 . LEU C 83  ? 0.434 0.383 0.331 -0.006 -0.022 -0.004 81  LEU FFF CD1 
3163 C CD2 . LEU C 83  ? 0.458 0.407 0.357 -0.021 -0.028 0.002  81  LEU FFF CD2 
3164 N N   . HIS C 84  ? 0.449 0.376 0.326 0.004  -0.024 -0.029 82  HIS FFF N   
3165 C CA  . HIS C 84  ? 0.478 0.386 0.348 0.008  -0.029 -0.037 82  HIS FFF CA  
3166 C C   . HIS C 84  ? 0.512 0.403 0.384 0.006  -0.033 -0.032 82  HIS FFF C   
3167 O O   . HIS C 84  ? 0.497 0.391 0.374 0.012  -0.031 -0.029 82  HIS FFF O   
3168 C CB  . HIS C 84  ? 0.494 0.406 0.360 0.020  -0.024 -0.044 82  HIS FFF CB  
3169 C CG  . HIS C 84  ? 0.528 0.460 0.393 0.021  -0.019 -0.046 82  HIS FFF CG  
3170 N ND1 . HIS C 84  ? 0.527 0.458 0.381 0.020  -0.020 -0.053 82  HIS FFF ND1 
3171 C CD2 . HIS C 84  ? 0.495 0.447 0.366 0.021  -0.013 -0.041 82  HIS FFF CD2 
3172 C CE1 . HIS C 84  ? 0.523 0.474 0.377 0.021  -0.015 -0.051 82  HIS FFF CE1 
3173 N NE2 . HIS C 84  ? 0.511 0.475 0.376 0.021  -0.011 -0.044 82  HIS FFF NE2 
3174 N N   . MET C 85  ? 0.490 0.366 0.359 -0.003 -0.040 -0.031 83  MET FFF N   
3175 C CA  . MET C 85  ? 0.550 0.409 0.421 -0.007 -0.046 -0.024 83  MET FFF CA  
3176 C C   . MET C 85  ? 0.584 0.414 0.446 -0.001 -0.053 -0.032 83  MET FFF C   
3177 O O   . MET C 85  ? 0.616 0.434 0.470 -0.005 -0.058 -0.039 83  MET FFF O   
3178 C CB  . MET C 85  ? 0.548 0.411 0.423 -0.022 -0.050 -0.016 83  MET FFF CB  
3179 C CG  . MET C 85  ? 0.549 0.439 0.432 -0.026 -0.044 -0.009 83  MET FFF CG  
3180 S SD  . MET C 85  ? 0.631 0.532 0.519 -0.041 -0.048 -0.001 83  MET FFF SD  
3181 C CE  . MET C 85  ? 0.607 0.510 0.502 -0.047 -0.048 0.012  83  MET FFF CE  
3182 N N   . ASN C 86  ? 0.593 0.414 0.456 0.008  -0.053 -0.032 84  ASN FFF N   
3183 C CA  . ASN C 86  ? 0.677 0.468 0.530 0.017  -0.061 -0.040 84  ASN FFF CA  
3184 C C   . ASN C 86  ? 0.640 0.411 0.496 0.012  -0.068 -0.030 84  ASN FFF C   
3185 O O   . ASN C 86  ? 0.637 0.423 0.502 0.006  -0.065 -0.018 84  ASN FFF O   
3186 C CB  . ASN C 86  ? 0.715 0.513 0.567 0.035  -0.055 -0.049 84  ASN FFF CB  
3187 C CG  . ASN C 86  ? 0.741 0.563 0.591 0.038  -0.047 -0.056 84  ASN FFF CG  
3188 O OD1 . ASN C 86  ? 0.732 0.548 0.573 0.036  -0.049 -0.065 84  ASN FFF OD1 
3189 N ND2 . ASN C 86  ? 0.790 0.640 0.650 0.040  -0.039 -0.051 84  ASN FFF ND2 
3190 N N   . SER C 87  ? 0.678 0.415 0.525 0.015  -0.078 -0.035 85  SER FFF N   
3191 C CA  . SER C 87  ? 0.711 0.424 0.559 0.011  -0.087 -0.025 85  SER FFF CA  
3192 C C   . SER C 87  ? 0.708 0.430 0.562 -0.009 -0.088 -0.009 85  SER FFF C   
3193 O O   . SER C 87  ? 0.710 0.438 0.571 -0.012 -0.088 0.004  85  SER FFF O   
3194 C CB  . SER C 87  ? 0.723 0.442 0.576 0.025  -0.083 -0.022 85  SER FFF CB  
3195 O OG  . SER C 87  ? 0.771 0.480 0.617 0.044  -0.083 -0.037 85  SER FFF OG  
3196 N N   . LEU C 88  ? 0.672 0.400 0.525 -0.021 -0.090 -0.010 86  LEU FFF N   
3197 C CA  . LEU C 88  ? 0.659 0.403 0.521 -0.040 -0.090 0.005  86  LEU FFF CA  
3198 C C   . LEU C 88  ? 0.687 0.406 0.548 -0.051 -0.101 0.016  86  LEU FFF C   
3199 O O   . LEU C 88  ? 0.735 0.417 0.586 -0.050 -0.112 0.011  86  LEU FFF O   
3200 C CB  . LEU C 88  ? 0.649 0.404 0.510 -0.050 -0.090 0.000  86  LEU FFF CB  
3201 C CG  . LEU C 88  ? 0.611 0.399 0.476 -0.044 -0.078 -0.004 86  LEU FFF CG  
3202 C CD1 . LEU C 88  ? 0.620 0.413 0.482 -0.050 -0.080 -0.011 86  LEU FFF CD1 
3203 C CD2 . LEU C 88  ? 0.577 0.395 0.454 -0.049 -0.071 0.009  86  LEU FFF CD2 
3204 N N   . LYS C 89  ? 0.687 0.425 0.556 -0.061 -0.098 0.032  87  LYS FFF N   
3205 C CA  . LYS C 89  ? 0.735 0.455 0.604 -0.074 -0.108 0.048  87  LYS FFF CA  
3206 C C   . LYS C 89  ? 0.691 0.436 0.568 -0.094 -0.107 0.060  87  LYS FFF C   
3207 O O   . LYS C 89  ? 0.644 0.422 0.527 -0.093 -0.097 0.058  87  LYS FFF O   
3208 C CB  . LYS C 89  ? 0.787 0.512 0.659 -0.066 -0.104 0.057  87  LYS FFF CB  
3209 C CG  . LYS C 89  ? 0.865 0.582 0.733 -0.044 -0.101 0.045  87  LYS FFF CG  
3210 C CD  . LYS C 89  ? 0.942 0.675 0.816 -0.037 -0.095 0.054  87  LYS FFF CD  
3211 C CE  . LYS C 89  ? 1.045 0.760 0.914 -0.017 -0.097 0.044  87  LYS FFF CE  
3212 N NZ  . LYS C 89  ? 1.016 0.750 0.890 -0.008 -0.091 0.051  87  LYS FFF NZ  
3213 N N   . PRO C 90  ? 0.727 0.458 0.604 -0.112 -0.117 0.074  88  PRO FFF N   
3214 C CA  . PRO C 90  ? 0.732 0.492 0.619 -0.131 -0.116 0.087  88  PRO FFF CA  
3215 C C   . PRO C 90  ? 0.709 0.513 0.605 -0.128 -0.103 0.096  88  PRO FFF C   
3216 O O   . PRO C 90  ? 0.674 0.509 0.577 -0.136 -0.098 0.099  88  PRO FFF O   
3217 C CB  . PRO C 90  ? 0.789 0.522 0.673 -0.149 -0.130 0.102  88  PRO FFF CB  
3218 C CG  . PRO C 90  ? 0.810 0.493 0.682 -0.140 -0.141 0.090  88  PRO FFF CG  
3219 C CD  . PRO C 90  ? 0.774 0.461 0.643 -0.115 -0.131 0.078  88  PRO FFF CD  
3220 N N   . GLU C 91  ? 0.708 0.405 0.659 -0.063 -0.057 0.054  89  GLU FFF N   
3221 C CA  . GLU C 91  ? 0.711 0.435 0.647 -0.062 -0.049 0.069  89  GLU FFF CA  
3222 C C   . GLU C 91  ? 0.638 0.400 0.568 -0.053 -0.040 0.055  89  GLU FFF C   
3223 O O   . GLU C 91  ? 0.591 0.379 0.511 -0.055 -0.032 0.064  89  GLU FFF O   
3224 C CB  . GLU C 91  ? 0.776 0.483 0.706 -0.048 -0.055 0.081  89  GLU FFF CB  
3225 C CG  . GLU C 91  ? 0.940 0.613 0.870 -0.059 -0.064 0.103  89  GLU FFF CG  
3226 C CD  . GLU C 91  ? 1.060 0.687 1.006 -0.060 -0.077 0.100  89  GLU FFF CD  
3227 O OE1 . GLU C 91  ? 0.932 0.551 0.890 -0.050 -0.081 0.075  89  GLU FFF OE1 
3228 O OE2 . GLU C 91  ? 1.227 0.826 1.172 -0.073 -0.085 0.122  89  GLU FFF OE2 
3229 N N   . ASP C 92  ? 0.619 0.384 0.556 -0.043 -0.041 0.033  90  ASP FFF N   
3230 C CA  . ASP C 92  ? 0.568 0.366 0.499 -0.036 -0.034 0.021  90  ASP FFF CA  
3231 C C   . ASP C 92  ? 0.543 0.361 0.477 -0.049 -0.030 0.017  90  ASP FFF C   
3232 O O   . ASP C 92  ? 0.544 0.389 0.474 -0.044 -0.025 0.009  90  ASP FFF O   
3233 C CB  . ASP C 92  ? 0.560 0.355 0.494 -0.022 -0.037 0.001  90  ASP FFF CB  
3234 C CG  . ASP C 92  ? 0.569 0.352 0.504 -0.007 -0.041 0.002  90  ASP FFF CG  
3235 O OD1 . ASP C 92  ? 0.555 0.348 0.481 -0.003 -0.037 0.015  90  ASP FFF OD1 
3236 O OD2 . ASP C 92  ? 0.586 0.350 0.531 0.001  -0.047 -0.010 90  ASP FFF OD2 
3237 N N   . THR C 93  ? 0.557 0.364 0.499 -0.064 -0.032 0.021  91  THR FFF N   
3238 C CA  . THR C 93  ? 0.550 0.380 0.497 -0.077 -0.029 0.017  91  THR FFF CA  
3239 C C   . THR C 93  ? 0.558 0.420 0.499 -0.078 -0.021 0.026  91  THR FFF C   
3240 O O   . THR C 93  ? 0.539 0.401 0.474 -0.082 -0.017 0.043  91  THR FFF O   
3241 C CB  . THR C 93  ? 0.565 0.378 0.524 -0.096 -0.033 0.021  91  THR FFF CB  
3242 O OG1 . THR C 93  ? 0.585 0.369 0.550 -0.091 -0.041 0.007  91  THR FFF OG1 
3243 C CG2 . THR C 93  ? 0.573 0.414 0.539 -0.110 -0.030 0.017  91  THR FFF CG2 
3244 N N   . ALA C 94  ? 0.510 0.399 0.451 -0.074 -0.018 0.016  92  ALA FFF N   
3245 C CA  . ALA C 94  ? 0.493 0.412 0.431 -0.071 -0.012 0.022  92  ALA FFF CA  
3246 C C   . ALA C 94  ? 0.462 0.404 0.402 -0.066 -0.013 0.010  92  ALA FFF C   
3247 O O   . ALA C 94  ? 0.454 0.389 0.394 -0.062 -0.018 -0.002 92  ALA FFF O   
3248 C CB  . ALA C 94  ? 0.496 0.411 0.422 -0.060 -0.009 0.029  92  ALA FFF CB  
3249 N N   . VAL C 95  ? 0.446 0.414 0.388 -0.064 -0.008 0.012  93  VAL FFF N   
3250 C CA  . VAL C 95  ? 0.436 0.423 0.378 -0.054 -0.011 0.004  93  VAL FFF CA  
3251 C C   . VAL C 95  ? 0.441 0.422 0.371 -0.041 -0.010 0.006  93  VAL FFF C   
3252 O O   . VAL C 95  ? 0.402 0.383 0.327 -0.038 -0.005 0.014  93  VAL FFF O   
3253 C CB  . VAL C 95  ? 0.446 0.463 0.399 -0.057 -0.008 0.004  93  VAL FFF CB  
3254 C CG1 . VAL C 95  ? 0.442 0.474 0.396 -0.047 -0.013 -0.002 93  VAL FFF CG1 
3255 C CG2 . VAL C 95  ? 0.489 0.515 0.456 -0.073 -0.008 0.003  93  VAL FFF CG2 
3256 N N   . TYR C 96  ? 0.405 0.382 0.329 -0.034 -0.014 -0.001 94  TYR FFF N   
3257 C CA  . TYR C 96  ? 0.407 0.379 0.319 -0.023 -0.013 0.001  94  TYR FFF CA  
3258 C C   . TYR C 96  ? 0.413 0.402 0.325 -0.017 -0.015 0.000  94  TYR FFF C   
3259 O O   . TYR C 96  ? 0.419 0.421 0.336 -0.019 -0.020 -0.004 94  TYR FFF O   
3260 C CB  . TYR C 96  ? 0.445 0.404 0.351 -0.020 -0.015 -0.006 94  TYR FFF CB  
3261 C CG  . TYR C 96  ? 0.419 0.357 0.326 -0.021 -0.014 -0.005 94  TYR FFF CG  
3262 C CD1 . TYR C 96  ? 0.444 0.372 0.359 -0.030 -0.016 -0.006 94  TYR FFF CD1 
3263 C CD2 . TYR C 96  ? 0.433 0.361 0.334 -0.013 -0.013 -0.003 94  TYR FFF CD2 
3264 C CE1 . TYR C 96  ? 0.460 0.365 0.377 -0.031 -0.017 -0.003 94  TYR FFF CE1 
3265 C CE2 . TYR C 96  ? 0.438 0.347 0.342 -0.012 -0.014 -0.002 94  TYR FFF CE2 
3266 C CZ  . TYR C 96  ? 0.464 0.359 0.376 -0.021 -0.017 -0.001 94  TYR FFF CZ  
3267 O OH  . TYR C 96  ? 0.491 0.361 0.406 -0.020 -0.020 0.003  94  TYR FFF OH  
3268 N N   . TYR C 97  ? 0.394 0.383 0.301 -0.010 -0.013 0.004  95  TYR FFF N   
3269 C CA  . TYR C 97  ? 0.402 0.401 0.309 -0.003 -0.016 0.006  95  TYR FFF CA  
3270 C C   . TYR C 97  ? 0.403 0.393 0.299 0.002  -0.016 0.008  95  TYR FFF C   
3271 O O   . TYR C 97  ? 0.394 0.375 0.285 0.003  -0.012 0.009  95  TYR FFF O   
3272 C CB  . TYR C 97  ? 0.400 0.410 0.316 -0.001 -0.013 0.007  95  TYR FFF CB  
3273 C CG  . TYR C 97  ? 0.388 0.412 0.316 -0.008 -0.011 0.006  95  TYR FFF CG  
3274 C CD1 . TYR C 97  ? 0.379 0.401 0.308 -0.016 -0.005 0.009  95  TYR FFF CD1 
3275 C CD2 . TYR C 97  ? 0.387 0.430 0.328 -0.006 -0.016 0.001  95  TYR FFF CD2 
3276 C CE1 . TYR C 97  ? 0.405 0.444 0.346 -0.024 -0.002 0.008  95  TYR FFF CE1 
3277 C CE2 . TYR C 97  ? 0.382 0.442 0.336 -0.013 -0.013 -0.001 95  TYR FFF CE2 
3278 C CZ  . TYR C 97  ? 0.402 0.461 0.357 -0.023 -0.006 0.002  95  TYR FFF CZ  
3279 O OH  . TYR C 97  ? 0.444 0.524 0.413 -0.032 -0.003 0.000  95  TYR FFF OH  
3280 N N   . CYS C 98  ? 0.394 0.386 0.285 0.005  -0.021 0.009  96  CYS FFF N   
3281 C CA  . CYS C 98  ? 0.369 0.355 0.252 0.008  -0.021 0.013  96  CYS FFF CA  
3282 C C   . CYS C 98  ? 0.374 0.363 0.265 0.014  -0.024 0.015  96  CYS FFF C   
3283 O O   . CYS C 98  ? 0.387 0.384 0.288 0.015  -0.028 0.014  96  CYS FFF O   
3284 C CB  . CYS C 98  ? 0.415 0.401 0.286 0.006  -0.025 0.013  96  CYS FFF CB  
3285 S SG  . CYS C 98  ? 0.512 0.507 0.384 0.004  -0.035 0.015  96  CYS FFF SG  
3286 N N   . ALA C 99  ? 0.368 0.349 0.254 0.016  -0.023 0.018  97  ALA FFF N   
3287 C CA  . ALA C 99  ? 0.381 0.361 0.275 0.022  -0.026 0.018  97  ALA FFF CA  
3288 C C   . ALA C 99  ? 0.400 0.370 0.286 0.021  -0.026 0.021  97  ALA FFF C   
3289 O O   . ALA C 99  ? 0.390 0.358 0.267 0.017  -0.022 0.022  97  ALA FFF O   
3290 C CB  . ALA C 99  ? 0.420 0.408 0.323 0.025  -0.020 0.013  97  ALA FFF CB  
3291 N N   . ILE C 100 ? 0.376 0.339 0.268 0.026  -0.031 0.022  98  ILE FFF N   
3292 C CA  . ILE C 100 ? 0.407 0.360 0.293 0.023  -0.031 0.025  98  ILE FFF CA  
3293 C C   . ILE C 100 ? 0.432 0.385 0.328 0.029  -0.030 0.017  98  ILE FFF C   
3294 O O   . ILE C 100 ? 0.404 0.364 0.310 0.035  -0.030 0.011  98  ILE FFF O   
3295 C CB  . ILE C 100 ? 0.431 0.373 0.314 0.021  -0.041 0.033  98  ILE FFF CB  
3296 C CG1 . ILE C 100 ? 0.444 0.382 0.339 0.028  -0.050 0.033  98  ILE FFF CG1 
3297 C CG2 . ILE C 100 ? 0.419 0.366 0.288 0.013  -0.040 0.040  98  ILE FFF CG2 
3298 C CD1 . ILE C 100 ? 0.506 0.428 0.397 0.026  -0.062 0.044  98  ILE FFF CD1 
3299 N N   . THR C 101 ? 0.421 0.367 0.312 0.027  -0.029 0.017  99  THR FFF N   
3300 C CA  . THR C 101 ? 0.419 0.365 0.318 0.031  -0.028 0.008  99  THR FFF CA  
3301 C C   . THR C 101 ? 0.428 0.358 0.327 0.027  -0.034 0.011  99  THR FFF C   
3302 O O   . THR C 101 ? 0.423 0.348 0.313 0.019  -0.035 0.019  99  THR FFF O   
3303 C CB  . THR C 101 ? 0.395 0.352 0.288 0.030  -0.019 0.004  99  THR FFF CB  
3304 O OG1 . THR C 101 ? 0.416 0.377 0.315 0.034  -0.019 -0.005 99  THR FFF OG1 
3305 C CG2 . THR C 101 ? 0.418 0.375 0.302 0.023  -0.017 0.009  99  THR FFF CG2 
3306 N N   . THR C 102 ? 0.436 0.360 0.346 0.033  -0.038 0.002  100 THR FFF N   
3307 C CA  . THR C 102 ? 0.466 0.373 0.378 0.030  -0.044 0.001  100 THR FFF CA  
3308 C C   . THR C 102 ? 0.454 0.371 0.364 0.028  -0.038 -0.008 100 THR FFF C   
3309 O O   . THR C 102 ? 0.444 0.351 0.356 0.023  -0.041 -0.010 100 THR FFF O   
3310 C CB  . THR C 102 ? 0.506 0.399 0.434 0.038  -0.054 -0.006 100 THR FFF CB  
3311 O OG1 . THR C 102 ? 0.500 0.409 0.437 0.048  -0.049 -0.023 100 THR FFF OG1 
3312 C CG2 . THR C 102 ? 0.580 0.466 0.512 0.042  -0.061 0.002  100 THR FFF CG2 
3313 N N   . ILE C 103 ? 0.430 0.367 0.337 0.031  -0.029 -0.013 101 ILE FFF N   
3314 C CA  . ILE C 103 ? 0.418 0.367 0.322 0.030  -0.025 -0.021 101 ILE FFF CA  
3315 C C   . ILE C 103 ? 0.432 0.386 0.326 0.023  -0.021 -0.014 101 ILE FFF C   
3316 O O   . ILE C 103 ? 0.403 0.364 0.290 0.022  -0.017 -0.007 101 ILE FFF O   
3317 C CB  . ILE C 103 ? 0.434 0.402 0.336 0.036  -0.019 -0.028 101 ILE FFF CB  
3318 C CG1 . ILE C 103 ? 0.467 0.436 0.383 0.044  -0.022 -0.038 101 ILE FFF CG1 
3319 C CG2 . ILE C 103 ? 0.417 0.398 0.313 0.035  -0.015 -0.035 101 ILE FFF CG2 
3320 C CD1 . ILE C 103 ? 0.489 0.481 0.405 0.048  -0.015 -0.047 101 ILE FFF CD1 
3321 N N   . VAL C 104 ? 0.408 0.360 0.302 0.018  -0.023 -0.017 102 VAL FFF N   
3322 C CA  . VAL C 104 ? 0.425 0.386 0.313 0.012  -0.020 -0.012 102 VAL FFF CA  
3323 C C   . VAL C 104 ? 0.408 0.387 0.292 0.015  -0.017 -0.018 102 VAL FFF C   
3324 O O   . VAL C 104 ? 0.410 0.392 0.297 0.016  -0.019 -0.028 102 VAL FFF O   
3325 C CB  . VAL C 104 ? 0.432 0.385 0.324 0.002  -0.025 -0.011 102 VAL FFF CB  
3326 C CG1 . VAL C 104 ? 0.429 0.397 0.317 -0.004 -0.021 -0.007 102 VAL FFF CG1 
3327 C CG2 . VAL C 104 ? 0.439 0.372 0.332 -0.002 -0.029 -0.002 102 VAL FFF CG2 
3328 N N   . ARG C 105 ? 0.390 0.379 0.268 0.018  -0.013 -0.012 103 ARG FFF N   
3329 C CA  . ARG C 105 ? 0.417 0.421 0.290 0.021  -0.011 -0.014 103 ARG FFF CA  
3330 C C   . ARG C 105 ? 0.426 0.437 0.299 0.019  -0.012 -0.010 103 ARG FFF C   
3331 O O   . ARG C 105 ? 0.383 0.390 0.255 0.019  -0.010 -0.003 103 ARG FFF O   
3332 C CB  . ARG C 105 ? 0.413 0.421 0.280 0.026  -0.008 -0.011 103 ARG FFF CB  
3333 C CG  . ARG C 105 ? 0.409 0.416 0.279 0.028  -0.007 -0.017 103 ARG FFF CG  
3334 C CD  . ARG C 105 ? 0.424 0.440 0.289 0.030  -0.003 -0.013 103 ARG FFF CD  
3335 N NE  . ARG C 105 ? 0.420 0.442 0.289 0.032  -0.001 -0.020 103 ARG FFF NE  
3336 C CZ  . ARG C 105 ? 0.402 0.434 0.272 0.034  -0.000 -0.033 103 ARG FFF CZ  
3337 N NH1 . ARG C 105 ? 0.402 0.440 0.270 0.034  -0.003 -0.040 103 ARG FFF NH1 
3338 N NH2 . ARG C 105 ? 0.395 0.436 0.272 0.037  0.002  -0.040 103 ARG FFF NH2 
3339 N N   . ALA C 106 ? 0.377 0.400 0.251 0.017  -0.014 -0.014 104 ALA FFF N   
3340 C CA  . ALA C 106 ? 0.384 0.418 0.261 0.016  -0.015 -0.012 104 ALA FFF CA  
3341 C C   . ALA C 106 ? 0.378 0.416 0.252 0.024  -0.014 -0.006 104 ALA FFF C   
3342 O O   . ALA C 106 ? 0.374 0.417 0.253 0.025  -0.013 -0.004 104 ALA FFF O   
3343 C CB  . ALA C 106 ? 0.387 0.436 0.268 0.014  -0.019 -0.020 104 ALA FFF CB  
3344 N N   . TYR C 107 ? 0.370 0.407 0.237 0.028  -0.014 -0.003 105 TYR FFF N   
3345 C CA  . TYR C 107 ? 0.368 0.403 0.230 0.034  -0.014 0.005  105 TYR FFF CA  
3346 C C   . TYR C 107 ? 0.398 0.420 0.259 0.033  -0.011 0.009  105 TYR FFF C   
3347 O O   . TYR C 107 ? 0.398 0.418 0.253 0.032  -0.009 0.009  105 TYR FFF O   
3348 C CB  . TYR C 107 ? 0.403 0.449 0.257 0.036  -0.018 0.007  105 TYR FFF CB  
3349 C CG  . TYR C 107 ? 0.393 0.456 0.250 0.037  -0.023 0.002  105 TYR FFF CG  
3350 C CD1 . TYR C 107 ? 0.408 0.477 0.269 0.043  -0.028 0.006  105 TYR FFF CD1 
3351 C CD2 . TYR C 107 ? 0.404 0.477 0.259 0.033  -0.025 -0.007 105 TYR FFF CD2 
3352 C CE1 . TYR C 107 ? 0.429 0.516 0.294 0.044  -0.034 0.002  105 TYR FFF CE1 
3353 C CE2 . TYR C 107 ? 0.395 0.485 0.252 0.033  -0.030 -0.012 105 TYR FFF CE2 
3354 C CZ  . TYR C 107 ? 0.429 0.527 0.290 0.039  -0.035 -0.007 105 TYR FFF CZ  
3355 O OH  . TYR C 107 ? 0.462 0.580 0.327 0.039  -0.042 -0.012 105 TYR FFF OH  
3356 N N   . TYR C 108 ? 0.383 0.396 0.247 0.034  -0.009 0.011  106 TYR FFF N   
3357 C CA  . TYR C 108 ? 0.409 0.411 0.273 0.033  -0.006 0.014  106 TYR FFF CA  
3358 C C   . TYR C 108 ? 0.397 0.396 0.255 0.034  -0.006 0.020  106 TYR FFF C   
3359 O O   . TYR C 108 ? 0.410 0.403 0.267 0.031  -0.003 0.022  106 TYR FFF O   
3360 C CB  . TYR C 108 ? 0.397 0.395 0.265 0.033  -0.005 0.013  106 TYR FFF CB  
3361 C CG  . TYR C 108 ? 0.394 0.388 0.264 0.039  -0.008 0.016  106 TYR FFF CG  
3362 C CD1 . TYR C 108 ? 0.376 0.359 0.244 0.039  -0.007 0.021  106 TYR FFF CD1 
3363 C CD2 . TYR C 108 ? 0.383 0.386 0.259 0.044  -0.011 0.014  106 TYR FFF CD2 
3364 C CE1 . TYR C 108 ? 0.386 0.360 0.257 0.045  -0.011 0.025  106 TYR FFF CE1 
3365 C CE2 . TYR C 108 ? 0.392 0.389 0.271 0.052  -0.015 0.016  106 TYR FFF CE2 
3366 C CZ  . TYR C 108 ? 0.401 0.381 0.277 0.052  -0.015 0.022  106 TYR FFF CZ  
3367 O OH  . TYR C 108 ? 0.432 0.403 0.314 0.059  -0.021 0.025  106 TYR FFF OH  
3368 N N   . THR C 109 ? 0.409 0.411 0.264 0.037  -0.009 0.025  107 THR FFF N   
3369 C CA  . THR C 109 ? 0.448 0.448 0.296 0.037  -0.011 0.035  107 THR FFF CA  
3370 C C   . THR C 109 ? 0.457 0.465 0.297 0.032  -0.006 0.034  107 THR FFF C   
3371 O O   . THR C 109 ? 0.460 0.469 0.294 0.028  -0.005 0.042  107 THR FFF O   
3372 C CB  . THR C 109 ? 0.514 0.519 0.359 0.042  -0.017 0.040  107 THR FFF CB  
3373 O OG1 . THR C 109 ? 0.465 0.486 0.307 0.042  -0.018 0.034  107 THR FFF OG1 
3374 C CG2 . THR C 109 ? 0.539 0.536 0.393 0.049  -0.021 0.040  107 THR FFF CG2 
3375 N N   . GLU C 110 ? 0.377 0.394 0.219 0.031  -0.005 0.024  108 GLU FFF N   
3376 C CA  . GLU C 110 ? 0.415 0.443 0.253 0.028  -0.001 0.019  108 GLU FFF CA  
3377 C C   . GLU C 110 ? 0.405 0.429 0.251 0.027  0.003  0.015  108 GLU FFF C   
3378 O O   . GLU C 110 ? 0.429 0.464 0.274 0.026  0.006  0.009  108 GLU FFF O   
3379 C CB  . GLU C 110 ? 0.417 0.457 0.254 0.029  -0.003 0.008  108 GLU FFF CB  
3380 C CG  . GLU C 110 ? 0.411 0.461 0.240 0.031  -0.008 0.013  108 GLU FFF CG  
3381 C CD  . GLU C 110 ? 0.467 0.533 0.292 0.030  -0.010 0.002  108 GLU FFF CD  
3382 O OE1 . GLU C 110 ? 0.460 0.523 0.295 0.030  -0.010 -0.009 108 GLU FFF OE1 
3383 O OE2 . GLU C 110 ? 0.430 0.511 0.243 0.029  -0.011 0.005  108 GLU FFF OE2 
3384 N N   . TYR C 111 ? 0.394 0.405 0.247 0.027  0.002  0.016  109 TYR FFF N   
3385 C CA  . TYR C 111 ? 0.396 0.402 0.255 0.026  0.004  0.013  109 TYR FFF CA  
3386 C C   . TYR C 111 ? 0.409 0.421 0.266 0.023  0.008  0.017  109 TYR FFF C   
3387 O O   . TYR C 111 ? 0.384 0.393 0.237 0.020  0.008  0.026  109 TYR FFF O   
3388 C CB  . TYR C 111 ? 0.399 0.393 0.263 0.026  0.002  0.014  109 TYR FFF CB  
3389 C CG  . TYR C 111 ? 0.386 0.377 0.253 0.027  -0.001 0.009  109 TYR FFF CG  
3390 C CD1 . TYR C 111 ? 0.384 0.374 0.256 0.028  -0.002 0.003  109 TYR FFF CD1 
3391 C CD2 . TYR C 111 ? 0.400 0.388 0.266 0.026  -0.002 0.010  109 TYR FFF CD2 
3392 C CE1 . TYR C 111 ? 0.391 0.375 0.266 0.026  -0.006 0.000  109 TYR FFF CE1 
3393 C CE2 . TYR C 111 ? 0.401 0.387 0.270 0.024  -0.005 0.007  109 TYR FFF CE2 
3394 C CZ  . TYR C 111 ? 0.382 0.363 0.254 0.023  -0.007 0.003  109 TYR FFF CZ  
3395 O OH  . TYR C 111 ? 0.373 0.349 0.248 0.019  -0.010 0.002  109 TYR FFF OH  
3396 N N   . THR C 112 ? 0.396 0.418 0.260 0.023  0.010  0.011  110 THR FFF N   
3397 C CA  . THR C 112 ? 0.429 0.459 0.295 0.018  0.014  0.014  110 THR FFF CA  
3398 C C   . THR C 112 ? 0.418 0.447 0.297 0.020  0.013  0.008  110 THR FFF C   
3399 O O   . THR C 112 ? 0.439 0.461 0.323 0.026  0.009  0.002  110 THR FFF O   
3400 C CB  . THR C 112 ? 0.442 0.494 0.304 0.015  0.020  0.011  110 THR FFF CB  
3401 O OG1 . THR C 112 ? 0.425 0.488 0.296 0.021  0.020  -0.003 110 THR FFF OG1 
3402 C CG2 . THR C 112 ? 0.477 0.534 0.326 0.014  0.019  0.017  110 THR FFF CG2 
3403 N N   . GLU C 113 ? 0.467 0.503 0.351 0.016  0.016  0.010  111 GLU FFF N   
3404 C CA  A GLU C 113 ? 0.454 0.492 0.351 0.018  0.013  0.005  111 GLU FFF CA  
3405 C CA  B GLU C 113 ? 0.450 0.489 0.348 0.018  0.013  0.005  111 GLU FFF CA  
3406 C C   . GLU C 113 ? 0.426 0.474 0.333 0.026  0.012  -0.007 111 GLU FFF C   
3407 O O   . GLU C 113 ? 0.385 0.427 0.301 0.031  0.006  -0.011 111 GLU FFF O   
3408 C CB  A GLU C 113 ? 0.478 0.527 0.380 0.010  0.017  0.008  111 GLU FFF CB  
3409 C CB  B GLU C 113 ? 0.474 0.523 0.377 0.010  0.017  0.008  111 GLU FFF CB  
3410 C CG  A GLU C 113 ? 0.525 0.599 0.428 0.006  0.024  0.006  111 GLU FFF CG  
3411 C CG  B GLU C 113 ? 0.511 0.587 0.416 0.006  0.024  0.005  111 GLU FFF CG  
3412 C CD  A GLU C 113 ? 0.524 0.622 0.442 0.011  0.026  -0.008 111 GLU FFF CD  
3413 C CD  B GLU C 113 ? 0.532 0.623 0.446 -0.003 0.028  0.007  111 GLU FFF CD  
3414 O OE1 A GLU C 113 ? 0.549 0.641 0.478 0.018  0.020  -0.013 111 GLU FFF OE1 
3415 O OE1 B GLU C 113 ? 0.483 0.572 0.408 -0.001 0.024  0.004  111 GLU FFF OE1 
3416 O OE2 A GLU C 113 ? 0.611 0.734 0.529 0.009  0.033  -0.013 111 GLU FFF OE2 
3417 O OE2 B GLU C 113 ? 0.601 0.708 0.510 -0.012 0.035  0.012  111 GLU FFF OE2 
3418 N N   . ALA C 114 ? 0.403 0.467 0.308 0.027  0.016  -0.014 112 ALA FFF N   
3419 C CA  . ALA C 114 ? 0.398 0.473 0.315 0.036  0.015  -0.029 112 ALA FFF CA  
3420 C C   . ALA C 114 ? 0.367 0.419 0.284 0.042  0.007  -0.031 112 ALA FFF C   
3421 O O   . ALA C 114 ? 0.350 0.401 0.280 0.050  0.002  -0.042 112 ALA FFF O   
3422 C CB  . ALA C 114 ? 0.433 0.532 0.345 0.035  0.022  -0.037 112 ALA FFF CB  
3423 N N   . ASP C 115 ? 0.353 0.388 0.260 0.038  0.005  -0.022 113 ASP FFF N   
3424 C CA  . ASP C 115 ? 0.365 0.380 0.271 0.041  -0.002 -0.022 113 ASP FFF CA  
3425 C C   . ASP C 115 ? 0.398 0.399 0.310 0.042  -0.009 -0.017 113 ASP FFF C   
3426 O O   . ASP C 115 ? 0.402 0.387 0.316 0.044  -0.015 -0.017 113 ASP FFF O   
3427 C CB  . ASP C 115 ? 0.358 0.366 0.252 0.036  -0.001 -0.015 113 ASP FFF CB  
3428 C CG  . ASP C 115 ? 0.383 0.406 0.269 0.035  0.003  -0.019 113 ASP FFF CG  
3429 O OD1 . ASP C 115 ? 0.411 0.445 0.302 0.039  0.004  -0.031 113 ASP FFF OD1 
3430 O OD2 . ASP C 115 ? 0.401 0.423 0.277 0.032  0.005  -0.011 113 ASP FFF OD2 
3431 N N   . PHE C 116 ? 0.395 0.401 0.309 0.040  -0.007 -0.012 114 PHE FFF N   
3432 C CA  . PHE C 116 ? 0.390 0.385 0.305 0.039  -0.014 -0.005 114 PHE FFF CA  
3433 C C   . PHE C 116 ? 0.414 0.417 0.345 0.045  -0.018 -0.010 114 PHE FFF C   
3434 O O   . PHE C 116 ? 0.392 0.413 0.332 0.048  -0.014 -0.018 114 PHE FFF O   
3435 C CB  . PHE C 116 ? 0.388 0.382 0.294 0.032  -0.010 0.002  114 PHE FFF CB  
3436 C CG  . PHE C 116 ? 0.413 0.398 0.307 0.029  -0.008 0.007  114 PHE FFF CG  
3437 C CD1 . PHE C 116 ? 0.410 0.400 0.300 0.028  -0.003 0.006  114 PHE FFF CD1 
3438 C CD2 . PHE C 116 ? 0.420 0.396 0.309 0.026  -0.011 0.012  114 PHE FFF CD2 
3439 C CE1 . PHE C 116 ? 0.404 0.389 0.286 0.026  -0.003 0.009  114 PHE FFF CE1 
3440 C CE2 . PHE C 116 ? 0.419 0.391 0.300 0.023  -0.009 0.014  114 PHE FFF CE2 
3441 C CZ  . PHE C 116 ? 0.434 0.409 0.312 0.024  -0.005 0.012  114 PHE FFF CZ  
3442 N N   . GLY C 117 ? 0.430 0.421 0.362 0.046  -0.027 -0.005 115 GLY FFF N   
3443 C CA  . GLY C 117 ? 0.424 0.419 0.371 0.053  -0.035 -0.007 115 GLY FFF CA  
3444 C C   . GLY C 117 ? 0.435 0.422 0.375 0.049  -0.043 0.004  115 GLY FFF C   
3445 O O   . GLY C 117 ? 0.411 0.390 0.335 0.041  -0.040 0.011  115 GLY FFF O   
3446 N N   . SER C 118 ? 0.430 0.420 0.382 0.055  -0.052 0.004  116 SER FFF N   
3447 C CA  . SER C 118 ? 0.448 0.434 0.393 0.051  -0.061 0.014  116 SER FFF CA  
3448 C C   . SER C 118 ? 0.435 0.431 0.370 0.042  -0.054 0.014  116 SER FFF C   
3449 O O   . SER C 118 ? 0.492 0.482 0.412 0.035  -0.055 0.022  116 SER FFF O   
3450 C CB  . SER C 118 ? 0.435 0.399 0.366 0.047  -0.067 0.025  116 SER FFF CB  
3451 O OG  . SER C 118 ? 0.459 0.408 0.400 0.056  -0.077 0.025  116 SER FFF OG  
3452 N N   . TRP C 119 ? 0.410 0.424 0.354 0.041  -0.046 0.007  117 TRP FFF N   
3453 C CA  . TRP C 119 ? 0.387 0.407 0.324 0.032  -0.039 0.007  117 TRP FFF CA  
3454 C C   . TRP C 119 ? 0.391 0.415 0.325 0.028  -0.047 0.010  117 TRP FFF C   
3455 O O   . TRP C 119 ? 0.376 0.410 0.322 0.033  -0.055 0.009  117 TRP FFF O   
3456 C CB  . TRP C 119 ? 0.407 0.447 0.358 0.030  -0.031 -0.001 117 TRP FFF CB  
3457 C CG  . TRP C 119 ? 0.386 0.425 0.334 0.032  -0.023 -0.003 117 TRP FFF CG  
3458 C CD1 . TRP C 119 ? 0.380 0.426 0.339 0.040  -0.022 -0.010 117 TRP FFF CD1 
3459 C CD2 . TRP C 119 ? 0.360 0.391 0.295 0.025  -0.015 0.000  117 TRP FFF CD2 
3460 N NE1 . TRP C 119 ? 0.396 0.441 0.347 0.037  -0.014 -0.011 117 TRP FFF NE1 
3461 C CE2 . TRP C 119 ? 0.373 0.410 0.310 0.029  -0.009 -0.004 117 TRP FFF CE2 
3462 C CE3 . TRP C 119 ? 0.404 0.426 0.329 0.017  -0.012 0.005  117 TRP FFF CE3 
3463 C CZ2 . TRP C 119 ? 0.366 0.399 0.292 0.024  -0.003 -0.001 117 TRP FFF CZ2 
3464 C CZ3 . TRP C 119 ? 0.393 0.409 0.309 0.014  -0.005 0.008  117 TRP FFF CZ3 
3465 C CH2 . TRP C 119 ? 0.381 0.402 0.296 0.018  -0.001 0.006  117 TRP FFF CH2 
3466 N N   . GLY C 120 ? 0.401 0.419 0.321 0.020  -0.044 0.012  118 GLY FFF N   
3467 C CA  . GLY C 120 ? 0.439 0.464 0.356 0.015  -0.049 0.012  118 GLY FFF CA  
3468 C C   . GLY C 120 ? 0.451 0.492 0.382 0.011  -0.047 0.005  118 GLY FFF C   
3469 O O   . GLY C 120 ? 0.426 0.471 0.366 0.011  -0.039 0.002  118 GLY FFF O   
3470 N N   . GLN C 121 ? 0.405 0.456 0.337 0.007  -0.054 0.003  119 GLN FFF N   
3471 C CA  . GLN C 121 ? 0.404 0.471 0.349 0.001  -0.052 -0.004 119 GLN FFF CA  
3472 C C   . GLN C 121 ? 0.441 0.497 0.380 -0.008 -0.043 -0.007 119 GLN FFF C   
3473 O O   . GLN C 121 ? 0.457 0.499 0.381 -0.011 -0.043 -0.007 119 GLN FFF O   
3474 C CB  . GLN C 121 ? 0.394 0.475 0.342 -0.001 -0.063 -0.007 119 GLN FFF CB  
3475 C CG  . GLN C 121 ? 0.418 0.517 0.382 -0.010 -0.062 -0.015 119 GLN FFF CG  
3476 C CD  . GLN C 121 ? 0.427 0.539 0.390 -0.013 -0.074 -0.018 119 GLN FFF CD  
3477 O OE1 . GLN C 121 ? 0.410 0.519 0.360 -0.009 -0.083 -0.014 119 GLN FFF OE1 
3478 N NE2 . GLN C 121 ? 0.452 0.582 0.431 -0.021 -0.075 -0.026 119 GLN FFF NE2 
3479 N N   . GLY C 122 ? 0.400 0.461 0.351 -0.013 -0.036 -0.008 120 GLY FFF N   
3480 C CA  . GLY C 122 ? 0.410 0.459 0.357 -0.023 -0.029 -0.009 120 GLY FFF CA  
3481 C C   . GLY C 122 ? 0.443 0.488 0.387 -0.031 -0.033 -0.015 120 GLY FFF C   
3482 O O   . GLY C 122 ? 0.444 0.505 0.397 -0.034 -0.040 -0.020 120 GLY FFF O   
3483 N N   . THR C 123 ? 0.424 0.449 0.357 -0.033 -0.031 -0.016 121 THR FFF N   
3484 C CA  . THR C 123 ? 0.480 0.499 0.412 -0.040 -0.035 -0.026 121 THR FFF CA  
3485 C C   . THR C 123 ? 0.467 0.468 0.404 -0.048 -0.030 -0.026 121 THR FFF C   
3486 O O   . THR C 123 ? 0.442 0.426 0.372 -0.043 -0.025 -0.020 121 THR FFF O   
3487 C CB  . THR C 123 ? 0.505 0.521 0.421 -0.035 -0.038 -0.030 121 THR FFF CB  
3488 O OG1 . THR C 123 ? 0.601 0.617 0.518 -0.042 -0.043 -0.042 121 THR FFF OG1 
3489 C CG2 . THR C 123 ? 0.572 0.572 0.478 -0.029 -0.033 -0.028 121 THR FFF CG2 
3490 N N   . GLN C 124 ? 0.470 0.472 0.417 -0.059 -0.033 -0.032 122 GLN FFF N   
3491 C CA  . GLN C 124 ? 0.507 0.489 0.461 -0.069 -0.030 -0.030 122 GLN FFF CA  
3492 C C   . GLN C 124 ? 0.512 0.469 0.457 -0.065 -0.033 -0.038 122 GLN FFF C   
3493 O O   . GLN C 124 ? 0.479 0.440 0.420 -0.063 -0.037 -0.051 122 GLN FFF O   
3494 C CB  . GLN C 124 ? 0.523 0.515 0.492 -0.084 -0.033 -0.035 122 GLN FFF CB  
3495 C CG  . GLN C 124 ? 0.553 0.520 0.529 -0.097 -0.032 -0.031 122 GLN FFF CG  
3496 C CD  . GLN C 124 ? 0.580 0.545 0.556 -0.100 -0.025 -0.015 122 GLN FFF CD  
3497 O OE1 . GLN C 124 ? 0.574 0.564 0.555 -0.102 -0.020 -0.009 122 GLN FFF OE1 
3498 N NE2 . GLN C 124 ? 0.590 0.524 0.561 -0.101 -0.024 -0.008 122 GLN FFF NE2 
3499 N N   . VAL C 125 ? 0.486 0.420 0.429 -0.063 -0.029 -0.032 123 VAL FFF N   
3500 C CA  . VAL C 125 ? 0.509 0.416 0.451 -0.059 -0.032 -0.040 123 VAL FFF CA  
3501 C C   . VAL C 125 ? 0.540 0.424 0.493 -0.071 -0.034 -0.035 123 VAL FFF C   
3502 O O   . VAL C 125 ? 0.577 0.457 0.530 -0.076 -0.030 -0.019 123 VAL FFF O   
3503 C CB  . VAL C 125 ? 0.521 0.422 0.453 -0.045 -0.029 -0.037 123 VAL FFF CB  
3504 C CG1 . VAL C 125 ? 0.570 0.444 0.504 -0.040 -0.033 -0.046 123 VAL FFF CG1 
3505 C CG2 . VAL C 125 ? 0.501 0.423 0.421 -0.037 -0.028 -0.042 123 VAL FFF CG2 
3506 N N   . THR C 126 ? 0.552 0.420 0.513 -0.078 -0.040 -0.048 124 THR FFF N   
3507 C CA  . THR C 126 ? 0.567 0.408 0.540 -0.091 -0.044 -0.043 124 THR FFF CA  
3508 C C   . THR C 126 ? 0.606 0.414 0.582 -0.084 -0.050 -0.055 124 THR FFF C   
3509 O O   . THR C 126 ? 0.633 0.443 0.610 -0.081 -0.054 -0.076 124 THR FFF O   
3510 C CB  . THR C 126 ? 0.581 0.434 0.565 -0.109 -0.046 -0.048 124 THR FFF CB  
3511 O OG1 . THR C 126 ? 0.577 0.463 0.560 -0.112 -0.040 -0.037 124 THR FFF OG1 
3512 C CG2 . THR C 126 ? 0.627 0.451 0.623 -0.126 -0.050 -0.042 124 THR FFF CG2 
3513 N N   . VAL C 127 ? 0.624 0.403 0.600 -0.081 -0.051 -0.043 125 VAL FFF N   
3514 C CA  . VAL C 127 ? 0.671 0.415 0.654 -0.072 -0.059 -0.052 125 VAL FFF CA  
3515 C C   . VAL C 127 ? 0.766 0.476 0.762 -0.088 -0.066 -0.046 125 VAL FFF C   
3516 O O   . VAL C 127 ? 0.747 0.445 0.743 -0.097 -0.066 -0.022 125 VAL FFF O   
3517 C CB  . VAL C 127 ? 0.635 0.372 0.611 -0.056 -0.058 -0.042 125 VAL FFF CB  
3518 C CG1 . VAL C 127 ? 0.671 0.380 0.656 -0.042 -0.065 -0.059 125 VAL FFF CG1 
3519 C CG2 . VAL C 127 ? 0.613 0.385 0.575 -0.045 -0.049 -0.042 125 VAL FFF CG2 
3520 N N   . SER C 128 ? 0.861 0.558 0.869 -0.094 -0.073 -0.067 126 SER FFF N   
3521 C CA  A SER C 128 ? 0.966 0.625 0.990 -0.109 -0.083 -0.065 126 SER FFF CA  
3522 C CA  B SER C 128 ? 0.953 0.611 0.976 -0.109 -0.083 -0.066 126 SER FFF CA  
3523 C C   . SER C 128 ? 1.089 0.703 1.120 -0.096 -0.092 -0.068 126 SER FFF C   
3524 O O   . SER C 128 ? 1.209 0.828 1.238 -0.075 -0.092 -0.087 126 SER FFF O   
3525 C CB  A SER C 128 ? 0.970 0.635 1.004 -0.120 -0.087 -0.088 126 SER FFF CB  
3526 C CB  B SER C 128 ? 0.938 0.603 0.971 -0.118 -0.087 -0.090 126 SER FFF CB  
3527 O OG  A SER C 128 ? 1.056 0.676 1.106 -0.131 -0.098 -0.093 126 SER FFF OG  
3528 O OG  B SER C 128 ? 0.918 0.579 0.953 -0.101 -0.091 -0.118 126 SER FFF OG  
3529 N N   . SER C 129 ? 1.227 0.801 1.267 -0.107 -0.100 -0.051 127 SER FFF N   
3530 C CA  . SER C 129 ? 1.310 0.835 1.359 -0.095 -0.111 -0.049 127 SER FFF CA  
3531 C C   . SER C 129 ? 1.401 0.887 1.471 -0.102 -0.124 -0.070 127 SER FFF C   
3532 O O   . SER C 129 ? 1.358 0.845 1.434 -0.123 -0.125 -0.073 127 SER FFF O   
3533 C CB  . SER C 129 ? 1.317 0.821 1.361 -0.102 -0.113 -0.013 127 SER FFF CB  
3534 O OG  . SER C 129 ? 1.322 0.843 1.359 -0.127 -0.107 0.007  127 SER FFF 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   GLN 1   1   1   GLN GLN AAA . n 
A 1 2   VAL 2   2   2   VAL VAL AAA . n 
A 1 3   GLN 3   3   3   GLN GLN AAA . n 
A 1 4   LEU 4   4   4   LEU LEU AAA . n 
A 1 5   VAL 5   5   5   VAL VAL AAA . n 
A 1 6   GLU 6   6   6   GLU GLU AAA . n 
A 1 7   SER 7   7   7   SER SER AAA . n 
A 1 8   GLY 8   8   8   GLY GLY AAA . n 
A 1 9   GLY 9   9   9   GLY GLY AAA . n 
A 1 10  GLY 10  10  10  GLY GLY AAA . n 
A 1 11  LEU 11  11  11  LEU LEU AAA . n 
A 1 12  VAL 12  12  12  VAL VAL AAA . n 
A 1 13  GLN 13  13  13  GLN GLN AAA . n 
A 1 14  PRO 14  14  14  PRO PRO AAA . n 
A 1 15  GLY 15  15  15  GLY GLY AAA . n 
A 1 16  GLY 16  16  16  GLY GLY AAA . n 
A 1 17  SER 17  17  17  SER SER AAA . n 
A 1 18  LEU 18  18  18  LEU LEU AAA . n 
A 1 19  ARG 19  19  19  ARG ARG AAA . n 
A 1 20  LEU 20  20  20  LEU LEU AAA . n 
A 1 21  SER 21  21  21  SER SER AAA . n 
A 1 22  CYS 22  22  22  CYS CYS AAA . n 
A 1 23  ALA 23  23  23  ALA ALA AAA . n 
A 1 24  ALA 24  24  24  ALA ALA AAA . n 
A 1 25  SER 25  25  25  SER SER AAA . n 
A 1 26  GLY 26  26  26  GLY GLY AAA . n 
A 1 27  PHE 27  27  27  PHE PHE AAA . n 
A 1 28  THR 28  28  28  THR THR AAA . n 
A 1 29  ASN 29  29  29  ASN ASN AAA . n 
A 1 30  ASP 30  30  30  ASP ASP AAA . n 
A 1 31  PHE 31  31  31  PHE PHE AAA . n 
A 1 32  TYR 32  32  32  TYR TYR AAA . n 
A 1 33  SER 33  33  33  SER SER AAA . n 
A 1 34  ILE 34  34  34  ILE ILE AAA . n 
A 1 35  ALA 35  35  35  ALA ALA AAA . n 
A 1 36  TRP 36  36  36  TRP TRP AAA . n 
A 1 37  PHE 37  37  37  PHE PHE AAA . n 
A 1 38  ARG 38  38  38  ARG ARG AAA . n 
A 1 39  GLN 39  39  39  GLN GLN AAA . n 
A 1 40  ALA 40  40  40  ALA ALA AAA . n 
A 1 41  PRO 41  41  41  PRO PRO AAA . n 
A 1 42  GLY 42  42  42  GLY GLY AAA . n 
A 1 43  LYS 43  43  43  LYS LYS AAA . n 
A 1 44  GLU 44  44  44  GLU GLU AAA . n 
A 1 45  ARG 45  45  45  ARG ARG AAA . n 
A 1 46  GLU 46  46  46  GLU GLU AAA . n 
A 1 47  GLY 47  47  47  GLY GLY AAA . n 
A 1 48  VAL 48  48  48  VAL VAL AAA . n 
A 1 49  SER 49  49  49  SER SER AAA . n 
A 1 50  TRP 50  50  50  TRP TRP AAA . n 
A 1 51  LEU 51  51  51  LEU LEU AAA . n 
A 1 52  SER 52  52  52  SER SER AAA . n 
A 1 53  VAL 53  53  53  VAL VAL AAA . n 
A 1 54  SER 54  54  54  SER SER AAA . n 
A 1 55  ASP 55  55  55  ASP ASP AAA . n 
A 1 56  ASN 56  56  56  ASN ASN AAA . n 
A 1 57  THR 57  57  57  THR THR AAA . n 
A 1 58  PRO 58  58  58  PRO PRO AAA . n 
A 1 59  THR 59  59  59  THR THR AAA . n 
A 1 60  TYR 60  60  60  TYR TYR AAA . n 
A 1 61  VAL 61  61  61  VAL VAL AAA . n 
A 1 62  ASP 62  62  62  ASP ASP AAA . n 
A 1 63  SER 63  63  63  SER SER AAA . n 
A 1 64  VAL 64  64  64  VAL VAL AAA . n 
A 1 65  LYS 65  65  65  LYS LYS AAA . n 
A 1 66  ASP 66  66  66  ASP ASP AAA . n 
A 1 67  ARG 67  67  67  ARG ARG AAA . n 
A 1 68  PHE 68  68  68  PHE PHE AAA . n 
A 1 69  THR 69  69  69  THR THR AAA . n 
A 1 70  ILE 70  70  70  ILE ILE AAA . n 
A 1 71  SER 71  71  71  SER SER AAA . n 
A 1 72  ARG 72  72  72  ARG ARG AAA . n 
A 1 73  HIS 73  73  73  HIS HIS AAA . n 
A 1 74  ASN 74  74  74  ASN ASN AAA . n 
A 1 75  ALA 75  75  75  ALA ALA AAA . n 
A 1 76  ASN 76  76  76  ASN ASN AAA . n 
A 1 77  ASN 77  77  77  ASN ASN AAA . n 
A 1 78  THR 78  78  78  THR THR AAA . n 
A 1 79  VAL 79  79  79  VAL VAL AAA . n 
A 1 80  TYR 80  80  80  TYR TYR AAA . n 
A 1 81  LEU 81  81  81  LEU LEU AAA . n 
A 1 82  GLN 82  82  82  GLN GLN AAA . n 
A 1 83  MET 83  83  83  MET MET AAA . n 
A 1 84  ASN 84  84  84  ASN ASN AAA . n 
A 1 85  MET 85  85  85  MET MET AAA . n 
A 1 86  LEU 86  86  86  LEU LEU AAA . n 
A 1 87  LYS 87  87  87  LYS LYS AAA . n 
A 1 88  PRO 88  88  88  PRO PRO AAA . n 
A 1 89  GLU 89  89  89  GLU GLU AAA . n 
A 1 90  ASP 90  90  90  ASP ASP AAA . n 
A 1 91  THR 91  91  91  THR THR AAA . n 
A 1 92  ALA 92  92  92  ALA ALA AAA . n 
A 1 93  ILE 93  93  93  ILE ILE AAA . n 
A 1 94  TYR 94  94  94  TYR TYR AAA . n 
A 1 95  TYR 95  95  95  TYR TYR AAA . n 
A 1 96  CYS 96  96  96  CYS CYS AAA . n 
A 1 97  ALA 97  97  97  ALA ALA AAA . n 
A 1 98  ALA 98  98  98  ALA ALA AAA . n 
A 1 99  GLY 99  99  99  GLY GLY AAA . n 
A 1 100 ARG 100 100 100 ARG ARG AAA . n 
A 1 101 PHE 101 101 101 PHE PHE AAA . n 
A 1 102 ALA 102 102 102 ALA ALA AAA . n 
A 1 103 GLY 103 103 103 GLY GLY AAA . n 
A 1 104 ARG 104 104 104 ARG ARG AAA . n 
A 1 105 ASP 105 105 105 ASP ASP AAA . n 
A 1 106 THR 106 106 106 THR THR AAA . n 
A 1 107 TRP 107 107 107 TRP TRP AAA . n 
A 1 108 PRO 108 108 108 PRO PRO AAA . n 
A 1 109 SER 109 109 109 SER SER AAA . n 
A 1 110 SER 110 110 110 SER SER AAA . n 
A 1 111 TYR 111 111 111 TYR TYR AAA . n 
A 1 112 ASP 112 112 112 ASP ASP AAA . n 
A 1 113 TYR 113 113 113 TYR TYR AAA . n 
A 1 114 TRP 114 114 114 TRP TRP AAA . n 
A 1 115 GLY 115 115 115 GLY GLY AAA . n 
A 1 116 GLN 116 116 116 GLN GLN AAA . n 
A 1 117 GLY 117 117 117 GLY GLY AAA . n 
A 1 118 THR 118 118 118 THR THR AAA . n 
A 1 119 GLN 119 119 119 GLN GLN AAA . n 
A 1 120 VAL 120 120 120 VAL VAL AAA . n 
A 1 121 THR 121 121 121 THR THR AAA . n 
A 1 122 VAL 122 122 122 VAL VAL AAA . n 
A 1 123 SER 123 123 123 SER SER AAA . n 
A 1 124 SER 124 124 124 SER SER AAA . n 
A 1 125 LYS 125 125 ?   ?   ?   AAA . n 
A 1 126 HIS 126 126 ?   ?   ?   AAA . n 
A 1 127 HIS 127 127 ?   ?   ?   AAA . n 
A 1 128 HIS 128 128 ?   ?   ?   AAA . n 
A 1 129 HIS 129 129 ?   ?   ?   AAA . n 
A 1 130 HIS 130 130 ?   ?   ?   AAA . n 
A 1 131 HIS 131 131 ?   ?   ?   AAA . n 
B 2 1   ASN 1   331 ?   ?   ?   EEE . n 
B 2 2   ILE 2   332 ?   ?   ?   EEE . n 
B 2 3   THR 3   333 ?   ?   ?   EEE . n 
B 2 4   ASN 4   334 334 ASN ASN EEE . n 
B 2 5   LEU 5   335 335 LEU LEU EEE . n 
B 2 6   CYS 6   336 336 CYS CYS EEE . n 
B 2 7   PRO 7   337 337 PRO PRO EEE . n 
B 2 8   PHE 8   338 338 PHE PHE EEE . n 
B 2 9   GLY 9   339 339 GLY GLY EEE . n 
B 2 10  GLU 10  340 340 GLU GLU EEE . n 
B 2 11  VAL 11  341 341 VAL VAL EEE . n 
B 2 12  PHE 12  342 342 PHE PHE EEE . n 
B 2 13  ASN 13  343 343 ASN ASN EEE . n 
B 2 14  ALA 14  344 344 ALA ALA EEE . n 
B 2 15  THR 15  345 345 THR THR EEE . n 
B 2 16  ARG 16  346 346 ARG ARG EEE . n 
B 2 17  PHE 17  347 347 PHE PHE EEE . n 
B 2 18  ALA 18  348 348 ALA ALA EEE . n 
B 2 19  SER 19  349 349 SER SER EEE . n 
B 2 20  VAL 20  350 350 VAL VAL EEE . n 
B 2 21  TYR 21  351 351 TYR TYR EEE . n 
B 2 22  ALA 22  352 352 ALA ALA EEE . n 
B 2 23  TRP 23  353 353 TRP TRP EEE . n 
B 2 24  ASN 24  354 354 ASN ASN EEE . n 
B 2 25  ARG 25  355 355 ARG ARG EEE . n 
B 2 26  LYS 26  356 356 LYS LYS EEE . n 
B 2 27  ARG 27  357 357 ARG ARG EEE . n 
B 2 28  ILE 28  358 358 ILE ILE EEE . n 
B 2 29  SER 29  359 359 SER SER EEE . n 
B 2 30  ASN 30  360 360 ASN ASN EEE . n 
B 2 31  CYS 31  361 361 CYS CYS EEE . n 
B 2 32  VAL 32  362 362 VAL VAL EEE . n 
B 2 33  ALA 33  363 363 ALA ALA EEE . n 
B 2 34  ASP 34  364 364 ASP ASP EEE . n 
B 2 35  TYR 35  365 365 TYR TYR EEE . n 
B 2 36  SER 36  366 366 SER SER EEE . n 
B 2 37  VAL 37  367 367 VAL VAL EEE . n 
B 2 38  LEU 38  368 368 LEU LEU EEE . n 
B 2 39  TYR 39  369 369 TYR TYR EEE . n 
B 2 40  ASN 40  370 370 ASN ASN EEE . n 
B 2 41  SER 41  371 371 SER SER EEE . n 
B 2 42  ALA 42  372 372 ALA ALA EEE . n 
B 2 43  SER 43  373 373 SER SER EEE . n 
B 2 44  PHE 44  374 374 PHE PHE EEE . n 
B 2 45  SER 45  375 375 SER SER EEE . n 
B 2 46  THR 46  376 376 THR THR EEE . n 
B 2 47  PHE 47  377 377 PHE PHE EEE . n 
B 2 48  LYS 48  378 378 LYS LYS EEE . n 
B 2 49  CYS 49  379 379 CYS CYS EEE . n 
B 2 50  TYR 50  380 380 TYR TYR EEE . n 
B 2 51  GLY 51  381 381 GLY GLY EEE . n 
B 2 52  VAL 52  382 382 VAL VAL EEE . n 
B 2 53  SER 53  383 383 SER SER EEE . n 
B 2 54  PRO 54  384 384 PRO PRO EEE . n 
B 2 55  THR 55  385 385 THR THR EEE . n 
B 2 56  LYS 56  386 386 LYS LYS EEE . n 
B 2 57  LEU 57  387 387 LEU LEU EEE . n 
B 2 58  ASN 58  388 388 ASN ASN EEE . n 
B 2 59  ASP 59  389 389 ASP ASP EEE . n 
B 2 60  LEU 60  390 390 LEU LEU EEE . n 
B 2 61  CYS 61  391 391 CYS CYS EEE . n 
B 2 62  PHE 62  392 392 PHE PHE EEE . n 
B 2 63  THR 63  393 393 THR THR EEE . n 
B 2 64  ASN 64  394 394 ASN ASN EEE . n 
B 2 65  VAL 65  395 395 VAL VAL EEE . n 
B 2 66  TYR 66  396 396 TYR TYR EEE . n 
B 2 67  ALA 67  397 397 ALA ALA EEE . n 
B 2 68  ASP 68  398 398 ASP ASP EEE . n 
B 2 69  SER 69  399 399 SER SER EEE . n 
B 2 70  PHE 70  400 400 PHE PHE EEE . n 
B 2 71  VAL 71  401 401 VAL VAL EEE . n 
B 2 72  ILE 72  402 402 ILE ILE EEE . n 
B 2 73  ARG 73  403 403 ARG ARG EEE . n 
B 2 74  GLY 74  404 404 GLY GLY EEE . n 
B 2 75  ASP 75  405 405 ASP ASP EEE . n 
B 2 76  GLU 76  406 406 GLU GLU EEE . n 
B 2 77  VAL 77  407 407 VAL VAL EEE . n 
B 2 78  ARG 78  408 408 ARG ARG EEE . n 
B 2 79  GLN 79  409 409 GLN GLN EEE . n 
B 2 80  ILE 80  410 410 ILE ILE EEE . n 
B 2 81  ALA 81  411 411 ALA ALA EEE . n 
B 2 82  PRO 82  412 412 PRO PRO EEE . n 
B 2 83  GLY 83  413 413 GLY GLY EEE . n 
B 2 84  GLN 84  414 414 GLN GLN EEE . n 
B 2 85  THR 85  415 415 THR THR EEE . n 
B 2 86  GLY 86  416 416 GLY GLY EEE . n 
B 2 87  LYS 87  417 417 LYS LYS EEE . n 
B 2 88  ILE 88  418 418 ILE ILE EEE . n 
B 2 89  ALA 89  419 419 ALA ALA EEE . n 
B 2 90  ASP 90  420 420 ASP ASP EEE . n 
B 2 91  TYR 91  421 421 TYR TYR EEE . n 
B 2 92  ASN 92  422 422 ASN ASN EEE . n 
B 2 93  TYR 93  423 423 TYR TYR EEE . n 
B 2 94  LYS 94  424 424 LYS LYS EEE . n 
B 2 95  LEU 95  425 425 LEU LEU EEE . n 
B 2 96  PRO 96  426 426 PRO PRO EEE . n 
B 2 97  ASP 97  427 427 ASP ASP EEE . n 
B 2 98  ASP 98  428 428 ASP ASP EEE . n 
B 2 99  PHE 99  429 429 PHE PHE EEE . n 
B 2 100 THR 100 430 430 THR THR EEE . n 
B 2 101 GLY 101 431 431 GLY GLY EEE . n 
B 2 102 CYS 102 432 432 CYS CYS EEE . n 
B 2 103 VAL 103 433 433 VAL VAL EEE . n 
B 2 104 ILE 104 434 434 ILE ILE EEE . n 
B 2 105 ALA 105 435 435 ALA ALA EEE . n 
B 2 106 TRP 106 436 436 TRP TRP EEE . n 
B 2 107 ASN 107 437 437 ASN ASN EEE . n 
B 2 108 SER 108 438 438 SER SER EEE . n 
B 2 109 ASN 109 439 439 ASN ASN EEE . n 
B 2 110 ASN 110 440 440 ASN ASN EEE . n 
B 2 111 LEU 111 441 441 LEU LEU EEE . n 
B 2 112 ASP 112 442 442 ASP ASP EEE . n 
B 2 113 SER 113 443 443 SER SER EEE . n 
B 2 114 LYS 114 444 444 LYS LYS EEE . n 
B 2 115 VAL 115 445 445 VAL VAL EEE . n 
B 2 116 GLY 116 446 446 GLY GLY EEE . n 
B 2 117 GLY 117 447 447 GLY GLY EEE . n 
B 2 118 ASN 118 448 448 ASN ASN EEE . n 
B 2 119 TYR 119 449 449 TYR TYR EEE . n 
B 2 120 ASN 120 450 450 ASN ASN EEE . n 
B 2 121 TYR 121 451 451 TYR TYR EEE . n 
B 2 122 LEU 122 452 452 LEU LEU EEE . n 
B 2 123 TYR 123 453 453 TYR TYR EEE . n 
B 2 124 ARG 124 454 454 ARG ARG EEE . n 
B 2 125 LEU 125 455 455 LEU LEU EEE . n 
B 2 126 PHE 126 456 456 PHE PHE EEE . n 
B 2 127 ARG 127 457 457 ARG ARG EEE . n 
B 2 128 LYS 128 458 458 LYS LYS EEE . n 
B 2 129 SER 129 459 459 SER SER EEE . n 
B 2 130 ASN 130 460 460 ASN ASN EEE . n 
B 2 131 LEU 131 461 461 LEU LEU EEE . n 
B 2 132 LYS 132 462 462 LYS LYS EEE . n 
B 2 133 PRO 133 463 463 PRO PRO EEE . n 
B 2 134 PHE 134 464 464 PHE PHE EEE . n 
B 2 135 GLU 135 465 465 GLU GLU EEE . n 
B 2 136 ARG 136 466 466 ARG ARG EEE . n 
B 2 137 ASP 137 467 467 ASP ASP EEE . n 
B 2 138 ILE 138 468 468 ILE ILE EEE . n 
B 2 139 SER 139 469 469 SER SER EEE . n 
B 2 140 THR 140 470 470 THR THR EEE . n 
B 2 141 GLU 141 471 471 GLU GLU EEE . n 
B 2 142 ILE 142 472 472 ILE ILE EEE . n 
B 2 143 TYR 143 473 473 TYR TYR EEE . n 
B 2 144 GLN 144 474 474 GLN GLN EEE . n 
B 2 145 ALA 145 475 475 ALA ALA EEE . n 
B 2 146 GLY 146 476 476 GLY GLY EEE . n 
B 2 147 SER 147 477 477 SER SER EEE . n 
B 2 148 THR 148 478 478 THR THR EEE . n 
B 2 149 PRO 149 479 479 PRO PRO EEE . n 
B 2 150 CYS 150 480 480 CYS CYS EEE . n 
B 2 151 ASN 151 481 481 ASN ASN EEE . n 
B 2 152 GLY 152 482 482 GLY GLY EEE . n 
B 2 153 VAL 153 483 483 VAL VAL EEE . n 
B 2 154 GLU 154 484 484 GLU GLU EEE . n 
B 2 155 GLY 155 485 485 GLY GLY EEE . n 
B 2 156 PHE 156 486 486 PHE PHE EEE . n 
B 2 157 ASN 157 487 487 ASN ASN EEE . n 
B 2 158 CYS 158 488 488 CYS CYS EEE . n 
B 2 159 TYR 159 489 489 TYR TYR EEE . n 
B 2 160 PHE 160 490 490 PHE PHE EEE . n 
B 2 161 PRO 161 491 491 PRO PRO EEE . n 
B 2 162 LEU 162 492 492 LEU LEU EEE . n 
B 2 163 GLN 163 493 493 GLN GLN EEE . n 
B 2 164 SER 164 494 494 SER SER EEE . n 
B 2 165 TYR 165 495 495 TYR TYR EEE . n 
B 2 166 GLY 166 496 496 GLY GLY EEE . n 
B 2 167 PHE 167 497 497 PHE PHE EEE . n 
B 2 168 GLN 168 498 498 GLN GLN EEE . n 
B 2 169 PRO 169 499 499 PRO PRO EEE . n 
B 2 170 THR 170 500 500 THR THR EEE . n 
B 2 171 ASN 171 501 501 ASN ASN EEE . n 
B 2 172 GLY 172 502 502 GLY GLY EEE . n 
B 2 173 VAL 173 503 503 VAL VAL EEE . n 
B 2 174 GLY 174 504 504 GLY GLY EEE . n 
B 2 175 TYR 175 505 505 TYR TYR EEE . n 
B 2 176 GLN 176 506 506 GLN GLN EEE . n 
B 2 177 PRO 177 507 507 PRO PRO EEE . n 
B 2 178 TYR 178 508 508 TYR TYR EEE . n 
B 2 179 ARG 179 509 509 ARG ARG EEE . n 
B 2 180 VAL 180 510 510 VAL VAL EEE . n 
B 2 181 VAL 181 511 511 VAL VAL EEE . n 
B 2 182 VAL 182 512 512 VAL VAL EEE . n 
B 2 183 LEU 183 513 513 LEU LEU EEE . n 
B 2 184 SER 184 514 514 SER SER EEE . n 
B 2 185 PHE 185 515 515 PHE PHE EEE . n 
B 2 186 GLU 186 516 516 GLU GLU EEE . n 
B 2 187 LEU 187 517 517 LEU LEU EEE . n 
B 2 188 LEU 188 518 518 LEU LEU EEE . n 
B 2 189 HIS 189 519 519 HIS HIS EEE . n 
B 2 190 ALA 190 520 520 ALA ALA EEE . n 
B 2 191 PRO 191 521 521 PRO PRO EEE . n 
B 2 192 ALA 192 522 522 ALA ALA EEE . n 
B 2 193 THR 193 523 523 THR THR EEE . n 
B 2 194 VAL 194 524 524 VAL VAL EEE . n 
B 2 195 CYS 195 525 525 CYS CYS EEE . n 
B 2 196 GLY 196 526 526 GLY GLY EEE . n 
B 2 197 PRO 197 527 527 PRO PRO EEE . n 
B 2 198 LYS 198 528 528 LYS LYS EEE . n 
B 2 199 LYS 199 529 529 LYS LYS EEE . n 
B 2 200 SER 200 530 530 SER SER EEE . n 
B 2 201 THR 201 531 ?   ?   ?   EEE . n 
B 2 202 ASN 202 532 ?   ?   ?   EEE . n 
B 2 203 LYS 203 533 ?   ?   ?   EEE . n 
B 2 204 HIS 204 534 ?   ?   ?   EEE . n 
B 2 205 HIS 205 535 ?   ?   ?   EEE . n 
B 2 206 HIS 206 536 ?   ?   ?   EEE . n 
B 2 207 HIS 207 537 ?   ?   ?   EEE . n 
B 2 208 HIS 208 538 ?   ?   ?   EEE . n 
B 2 209 HIS 209 539 ?   ?   ?   EEE . n 
C 3 1   MET 1   -1  ?   ?   ?   FFF . n 
C 3 2   ALA 2   0   ?   ?   ?   FFF . n 
C 3 3   GLN 3   1   1   GLN GLN FFF . n 
C 3 4   VAL 4   2   2   VAL VAL FFF . n 
C 3 5   GLN 5   3   3   GLN GLN FFF . n 
C 3 6   LEU 6   4   4   LEU LEU FFF . n 
C 3 7   VAL 7   5   5   VAL VAL FFF . n 
C 3 8   GLU 8   6   6   GLU GLU FFF . n 
C 3 9   SER 9   7   7   SER SER FFF . n 
C 3 10  GLY 10  8   8   GLY GLY FFF . n 
C 3 11  GLY 11  9   9   GLY GLY FFF . n 
C 3 12  GLY 12  10  10  GLY GLY FFF . n 
C 3 13  LEU 13  11  11  LEU LEU FFF . n 
C 3 14  VAL 14  12  12  VAL VAL FFF . n 
C 3 15  LYS 15  13  13  LYS LYS FFF . n 
C 3 16  THR 16  14  14  THR THR FFF . n 
C 3 17  GLY 17  15  15  GLY GLY FFF . n 
C 3 18  GLY 18  16  16  GLY GLY FFF . n 
C 3 19  SER 19  17  17  SER SER FFF . n 
C 3 20  LEU 20  18  18  LEU LEU FFF . n 
C 3 21  ARG 21  19  19  ARG ARG FFF . n 
C 3 22  LEU 22  20  20  LEU LEU FFF . n 
C 3 23  SER 23  21  21  SER SER FFF . n 
C 3 24  CYS 24  22  22  CYS CYS FFF . n 
C 3 25  ALA 25  23  23  ALA ALA FFF . n 
C 3 26  ALA 26  24  24  ALA ALA FFF . n 
C 3 27  SER 27  25  25  SER SER FFF . n 
C 3 28  GLY 28  26  26  GLY GLY FFF . n 
C 3 29  ARG 29  27  27  ARG ARG FFF . n 
C 3 30  THR 30  28  28  THR THR FFF . n 
C 3 31  PHE 31  29  29  PHE PHE FFF . n 
C 3 32  SER 32  30  30  SER SER FFF . n 
C 3 33  THR 33  31  31  THR THR FFF . n 
C 3 34  TYR 34  32  32  TYR TYR FFF . n 
C 3 35  SER 35  33  33  SER SER FFF . n 
C 3 36  MET 36  34  34  MET MET FFF . n 
C 3 37  GLY 37  35  35  GLY GLY FFF . n 
C 3 38  TRP 38  36  36  TRP TRP FFF . n 
C 3 39  PHE 39  37  37  PHE PHE FFF . n 
C 3 40  ARG 40  38  38  ARG ARG FFF . n 
C 3 41  GLN 41  39  39  GLN GLN FFF . n 
C 3 42  ALA 42  40  40  ALA ALA FFF . n 
C 3 43  PRO 43  41  41  PRO PRO FFF . n 
C 3 44  GLY 44  42  42  GLY GLY FFF . n 
C 3 45  LYS 45  43  43  LYS LYS FFF . n 
C 3 46  GLU 46  44  44  GLU GLU FFF . n 
C 3 47  ARG 47  45  45  ARG ARG FFF . n 
C 3 48  GLU 48  46  46  GLU GLU FFF . n 
C 3 49  PHE 49  47  47  PHE PHE FFF . n 
C 3 50  VAL 50  48  48  VAL VAL FFF . n 
C 3 51  ALA 51  49  49  ALA ALA FFF . n 
C 3 52  GLY 52  50  50  GLY GLY FFF . n 
C 3 53  MET 53  51  51  MET MET FFF . n 
C 3 54  ARG 54  52  52  ARG ARG FFF . n 
C 3 55  TRP 55  53  53  TRP TRP FFF . n 
C 3 56  THR 56  54  54  THR THR FFF . n 
C 3 57  GLY 57  55  55  GLY GLY FFF . n 
C 3 58  SER 58  56  56  SER SER FFF . n 
C 3 59  SER 59  57  57  SER SER FFF . n 
C 3 60  THR 60  58  58  THR THR FFF . n 
C 3 61  PHE 61  59  59  PHE PHE FFF . n 
C 3 62  TYR 62  60  60  TYR TYR FFF . n 
C 3 63  SER 63  61  61  SER SER FFF . n 
C 3 64  ASP 64  62  62  ASP ASP FFF . n 
C 3 65  SER 65  63  63  SER SER FFF . n 
C 3 66  VAL 66  64  64  VAL VAL FFF . n 
C 3 67  LYS 67  65  65  LYS LYS FFF . n 
C 3 68  GLY 68  66  66  GLY GLY FFF . n 
C 3 69  ARG 69  67  67  ARG ARG FFF . n 
C 3 70  PHE 70  68  68  PHE PHE FFF . n 
C 3 71  THR 71  69  69  THR THR FFF . n 
C 3 72  VAL 72  70  70  VAL VAL FFF . n 
C 3 73  SER 73  71  71  SER SER FFF . n 
C 3 74  ARG 74  72  72  ARG ARG FFF . n 
C 3 75  ASN 75  73  73  ASN ASN FFF . n 
C 3 76  ASN 76  74  74  ASN ASN FFF . n 
C 3 77  ALA 77  75  75  ALA ALA FFF . n 
C 3 78  LYS 78  76  76  LYS LYS FFF . n 
C 3 79  ASP 79  77  77  ASP ASP FFF . n 
C 3 80  THR 80  78  78  THR THR FFF . n 
C 3 81  VAL 81  79  79  VAL VAL FFF . n 
C 3 82  TYR 82  80  80  TYR TYR FFF . n 
C 3 83  LEU 83  81  81  LEU LEU FFF . n 
C 3 84  HIS 84  82  82  HIS HIS FFF . n 
C 3 85  MET 85  83  83  MET MET FFF . n 
C 3 86  ASN 86  84  84  ASN ASN FFF . n 
C 3 87  SER 87  85  85  SER SER FFF . n 
C 3 88  LEU 88  86  86  LEU LEU FFF . n 
C 3 89  LYS 89  87  87  LYS LYS FFF . n 
C 3 90  PRO 90  88  88  PRO PRO FFF . n 
C 3 91  GLU 91  89  89  GLU GLU FFF . n 
C 3 92  ASP 92  90  90  ASP ASP FFF . n 
C 3 93  THR 93  91  91  THR THR FFF . n 
C 3 94  ALA 94  92  92  ALA ALA FFF . n 
C 3 95  VAL 95  93  93  VAL VAL FFF . n 
C 3 96  TYR 96  94  94  TYR TYR FFF . n 
C 3 97  TYR 97  95  95  TYR TYR FFF . n 
C 3 98  CYS 98  96  96  CYS CYS FFF . n 
C 3 99  ALA 99  97  97  ALA ALA FFF . n 
C 3 100 ILE 100 98  98  ILE ILE FFF . n 
C 3 101 THR 101 99  99  THR THR FFF . n 
C 3 102 THR 102 100 100 THR THR FFF . n 
C 3 103 ILE 103 101 101 ILE ILE FFF . n 
C 3 104 VAL 104 102 102 VAL VAL FFF . n 
C 3 105 ARG 105 103 103 ARG ARG FFF . n 
C 3 106 ALA 106 104 104 ALA ALA FFF . n 
C 3 107 TYR 107 105 105 TYR TYR FFF . n 
C 3 108 TYR 108 106 106 TYR TYR FFF . n 
C 3 109 THR 109 107 107 THR THR FFF . n 
C 3 110 GLU 110 108 108 GLU GLU FFF . n 
C 3 111 TYR 111 109 109 TYR TYR FFF . n 
C 3 112 THR 112 110 110 THR THR FFF . n 
C 3 113 GLU 113 111 111 GLU GLU FFF . n 
C 3 114 ALA 114 112 112 ALA ALA FFF . n 
C 3 115 ASP 115 113 113 ASP ASP FFF . n 
C 3 116 PHE 116 114 114 PHE PHE FFF . n 
C 3 117 GLY 117 115 115 GLY GLY FFF . n 
C 3 118 SER 118 116 116 SER SER FFF . n 
C 3 119 TRP 119 117 117 TRP TRP FFF . n 
C 3 120 GLY 120 118 118 GLY GLY FFF . n 
C 3 121 GLN 121 119 119 GLN GLN FFF . n 
C 3 122 GLY 122 120 120 GLY GLY FFF . n 
C 3 123 THR 123 121 121 THR THR FFF . n 
C 3 124 GLN 124 122 122 GLN GLN FFF . n 
C 3 125 VAL 125 123 123 VAL VAL FFF . n 
C 3 126 THR 126 124 124 THR THR FFF . n 
C 3 127 VAL 127 125 125 VAL VAL FFF . n 
C 3 128 SER 128 126 126 SER SER FFF . n 
C 3 129 SER 129 127 127 SER SER FFF . n 
C 3 130 LYS 130 128 ?   ?   ?   FFF . n 
C 3 131 HIS 131 129 ?   ?   ?   FFF . n 
C 3 132 HIS 132 130 ?   ?   ?   FFF . n 
C 3 133 HIS 133 131 ?   ?   ?   FFF . n 
C 3 134 HIS 134 132 ?   ?   ?   FFF . n 
C 3 135 HIS 135 133 ?   ?   ?   FFF . n 
C 3 136 HIS 136 134 ?   ?   ?   FFF . 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 
D 4 NAG 1   601 635 NAG NAG EEE . 
E 5 CIT 1   602 1   CIT CIT EEE . 
F 6 CL  1   201 1   CL  CL  FFF . 
G 7 HOH 1   201 231 HOH HOH AAA . 
G 7 HOH 2   202 65  HOH HOH AAA . 
G 7 HOH 3   203 74  HOH HOH AAA . 
G 7 HOH 4   204 119 HOH HOH AAA . 
G 7 HOH 5   205 218 HOH HOH AAA . 
G 7 HOH 6   206 113 HOH HOH AAA . 
G 7 HOH 7   207 181 HOH HOH AAA . 
G 7 HOH 8   208 197 HOH HOH AAA . 
G 7 HOH 9   209 55  HOH HOH AAA . 
G 7 HOH 10  210 166 HOH HOH AAA . 
G 7 HOH 11  211 179 HOH HOH AAA . 
G 7 HOH 12  212 60  HOH HOH AAA . 
G 7 HOH 13  213 233 HOH HOH AAA . 
G 7 HOH 14  214 163 HOH HOH AAA . 
G 7 HOH 15  215 225 HOH HOH AAA . 
G 7 HOH 16  216 134 HOH HOH AAA . 
G 7 HOH 17  217 135 HOH HOH AAA . 
G 7 HOH 18  218 192 HOH HOH AAA . 
H 7 HOH 1   701 189 HOH HOH EEE . 
H 7 HOH 2   702 149 HOH HOH EEE . 
H 7 HOH 3   703 137 HOH HOH EEE . 
H 7 HOH 4   704 103 HOH HOH EEE . 
H 7 HOH 5   705 156 HOH HOH EEE . 
H 7 HOH 6   706 67  HOH HOH EEE . 
H 7 HOH 7   707 16  HOH HOH EEE . 
H 7 HOH 8   708 33  HOH HOH EEE . 
H 7 HOH 9   709 120 HOH HOH EEE . 
H 7 HOH 10  710 238 HOH HOH EEE . 
H 7 HOH 11  711 80  HOH HOH EEE . 
H 7 HOH 12  712 36  HOH HOH EEE . 
H 7 HOH 13  713 106 HOH HOH EEE . 
H 7 HOH 14  714 212 HOH HOH EEE . 
H 7 HOH 15  715 26  HOH HOH EEE . 
H 7 HOH 16  716 51  HOH HOH EEE . 
H 7 HOH 17  717 219 HOH HOH EEE . 
H 7 HOH 18  718 222 HOH HOH EEE . 
H 7 HOH 19  719 111 HOH HOH EEE . 
H 7 HOH 20  720 6   HOH HOH EEE . 
H 7 HOH 21  721 92  HOH HOH EEE . 
H 7 HOH 22  722 165 HOH HOH EEE . 
H 7 HOH 23  723 99  HOH HOH EEE . 
H 7 HOH 24  724 71  HOH HOH EEE . 
H 7 HOH 25  725 122 HOH HOH EEE . 
H 7 HOH 26  726 52  HOH HOH EEE . 
H 7 HOH 27  727 4   HOH HOH EEE . 
H 7 HOH 28  728 73  HOH HOH EEE . 
H 7 HOH 29  729 104 HOH HOH EEE . 
H 7 HOH 30  730 57  HOH HOH EEE . 
H 7 HOH 31  731 230 HOH HOH EEE . 
H 7 HOH 32  732 5   HOH HOH EEE . 
H 7 HOH 33  733 169 HOH HOH EEE . 
H 7 HOH 34  734 3   HOH HOH EEE . 
H 7 HOH 35  735 2   HOH HOH EEE . 
H 7 HOH 36  736 236 HOH HOH EEE . 
H 7 HOH 37  737 186 HOH HOH EEE . 
H 7 HOH 38  738 90  HOH HOH EEE . 
H 7 HOH 39  739 101 HOH HOH EEE . 
H 7 HOH 40  740 53  HOH HOH EEE . 
H 7 HOH 41  741 224 HOH HOH EEE . 
H 7 HOH 42  742 211 HOH HOH EEE . 
H 7 HOH 43  743 39  HOH HOH EEE . 
H 7 HOH 44  744 37  HOH HOH EEE . 
H 7 HOH 45  745 150 HOH HOH EEE . 
H 7 HOH 46  746 29  HOH HOH EEE . 
H 7 HOH 47  747 64  HOH HOH EEE . 
H 7 HOH 48  748 43  HOH HOH EEE . 
H 7 HOH 49  749 145 HOH HOH EEE . 
H 7 HOH 50  750 183 HOH HOH EEE . 
H 7 HOH 51  751 240 HOH HOH EEE . 
H 7 HOH 52  752 82  HOH HOH EEE . 
H 7 HOH 53  753 15  HOH HOH EEE . 
H 7 HOH 54  754 198 HOH HOH EEE . 
H 7 HOH 55  755 24  HOH HOH EEE . 
H 7 HOH 56  756 126 HOH HOH EEE . 
H 7 HOH 57  757 241 HOH HOH EEE . 
H 7 HOH 58  758 194 HOH HOH EEE . 
H 7 HOH 59  759 84  HOH HOH EEE . 
H 7 HOH 60  760 112 HOH HOH EEE . 
H 7 HOH 61  761 46  HOH HOH EEE . 
H 7 HOH 62  762 200 HOH HOH EEE . 
H 7 HOH 63  763 78  HOH HOH EEE . 
H 7 HOH 64  764 41  HOH HOH EEE . 
H 7 HOH 65  765 196 HOH HOH EEE . 
H 7 HOH 66  766 185 HOH HOH EEE . 
H 7 HOH 67  767 54  HOH HOH EEE . 
H 7 HOH 68  768 191 HOH HOH EEE . 
H 7 HOH 69  769 245 HOH HOH EEE . 
H 7 HOH 70  770 28  HOH HOH EEE . 
H 7 HOH 71  771 232 HOH HOH EEE . 
H 7 HOH 72  772 8   HOH HOH EEE . 
H 7 HOH 73  773 1   HOH HOH EEE . 
H 7 HOH 74  774 221 HOH HOH EEE . 
H 7 HOH 75  775 229 HOH HOH EEE . 
H 7 HOH 76  776 61  HOH HOH EEE . 
H 7 HOH 77  777 9   HOH HOH EEE . 
H 7 HOH 78  778 204 HOH HOH EEE . 
H 7 HOH 79  779 139 HOH HOH EEE . 
H 7 HOH 80  780 110 HOH HOH EEE . 
H 7 HOH 81  781 203 HOH HOH EEE . 
H 7 HOH 82  782 56  HOH HOH EEE . 
H 7 HOH 83  783 178 HOH HOH EEE . 
H 7 HOH 84  784 69  HOH HOH EEE . 
H 7 HOH 85  785 98  HOH HOH EEE . 
H 7 HOH 86  786 13  HOH HOH EEE . 
H 7 HOH 87  787 63  HOH HOH EEE . 
H 7 HOH 88  788 159 HOH HOH EEE . 
H 7 HOH 89  789 85  HOH HOH EEE . 
H 7 HOH 90  790 88  HOH HOH EEE . 
H 7 HOH 91  791 50  HOH HOH EEE . 
H 7 HOH 92  792 72  HOH HOH EEE . 
H 7 HOH 93  793 66  HOH HOH EEE . 
H 7 HOH 94  794 75  HOH HOH EEE . 
H 7 HOH 95  795 48  HOH HOH EEE . 
H 7 HOH 96  796 157 HOH HOH EEE . 
H 7 HOH 97  797 30  HOH HOH EEE . 
H 7 HOH 98  798 246 HOH HOH EEE . 
H 7 HOH 99  799 175 HOH HOH EEE . 
H 7 HOH 100 800 213 HOH HOH EEE . 
H 7 HOH 101 801 38  HOH HOH EEE . 
H 7 HOH 102 802 125 HOH HOH EEE . 
H 7 HOH 103 803 128 HOH HOH EEE . 
H 7 HOH 104 804 182 HOH HOH EEE . 
H 7 HOH 105 805 59  HOH HOH EEE . 
H 7 HOH 106 806 217 HOH HOH EEE . 
H 7 HOH 107 807 214 HOH HOH EEE . 
H 7 HOH 108 808 19  HOH HOH EEE . 
H 7 HOH 109 809 199 HOH HOH EEE . 
H 7 HOH 110 810 10  HOH HOH EEE . 
H 7 HOH 111 811 100 HOH HOH EEE . 
H 7 HOH 112 812 207 HOH HOH EEE . 
H 7 HOH 113 813 167 HOH HOH EEE . 
H 7 HOH 114 814 115 HOH HOH EEE . 
H 7 HOH 115 815 105 HOH HOH EEE . 
H 7 HOH 116 816 45  HOH HOH EEE . 
H 7 HOH 117 817 83  HOH HOH EEE . 
H 7 HOH 118 818 95  HOH HOH EEE . 
H 7 HOH 119 819 20  HOH HOH EEE . 
H 7 HOH 120 820 124 HOH HOH EEE . 
H 7 HOH 121 821 93  HOH HOH EEE . 
H 7 HOH 122 822 25  HOH HOH EEE . 
H 7 HOH 123 823 34  HOH HOH EEE . 
H 7 HOH 124 824 250 HOH HOH EEE . 
H 7 HOH 125 825 102 HOH HOH EEE . 
H 7 HOH 126 826 247 HOH HOH EEE . 
H 7 HOH 127 827 164 HOH HOH EEE . 
H 7 HOH 128 828 94  HOH HOH EEE . 
H 7 HOH 129 829 107 HOH HOH EEE . 
H 7 HOH 130 830 248 HOH HOH EEE . 
I 7 HOH 1   301 81  HOH HOH FFF . 
I 7 HOH 2   302 144 HOH HOH FFF . 
I 7 HOH 3   303 184 HOH HOH FFF . 
I 7 HOH 4   304 86  HOH HOH FFF . 
I 7 HOH 5   305 108 HOH HOH FFF . 
I 7 HOH 6   306 153 HOH HOH FFF . 
I 7 HOH 7   307 49  HOH HOH FFF . 
I 7 HOH 8   308 138 HOH HOH FFF . 
I 7 HOH 9   309 216 HOH HOH FFF . 
I 7 HOH 10  310 91  HOH HOH FFF . 
I 7 HOH 11  311 136 HOH HOH FFF . 
I 7 HOH 12  312 87  HOH HOH FFF . 
I 7 HOH 13  313 202 HOH HOH FFF . 
I 7 HOH 14  314 152 HOH HOH FFF . 
I 7 HOH 15  315 70  HOH HOH FFF . 
I 7 HOH 16  316 177 HOH HOH FFF . 
I 7 HOH 17  317 208 HOH HOH FFF . 
I 7 HOH 18  318 23  HOH HOH FFF . 
I 7 HOH 19  319 170 HOH HOH FFF . 
I 7 HOH 20  320 190 HOH HOH FFF . 
I 7 HOH 21  321 32  HOH HOH FFF . 
I 7 HOH 22  322 228 HOH HOH FFF . 
I 7 HOH 23  323 68  HOH HOH FFF . 
I 7 HOH 24  324 11  HOH HOH FFF . 
I 7 HOH 25  325 97  HOH HOH FFF . 
I 7 HOH 26  326 47  HOH HOH FFF . 
I 7 HOH 27  327 140 HOH HOH FFF . 
I 7 HOH 28  328 42  HOH HOH FFF . 
I 7 HOH 29  329 17  HOH HOH FFF . 
I 7 HOH 30  330 7   HOH HOH FFF . 
I 7 HOH 31  331 76  HOH HOH FFF . 
I 7 HOH 32  332 147 HOH HOH FFF . 
I 7 HOH 33  333 14  HOH HOH FFF . 
I 7 HOH 34  334 27  HOH HOH FFF . 
I 7 HOH 35  335 205 HOH HOH FFF . 
I 7 HOH 36  336 151 HOH HOH FFF . 
I 7 HOH 37  337 129 HOH HOH FFF . 
I 7 HOH 38  338 193 HOH HOH FFF . 
I 7 HOH 39  339 133 HOH HOH FFF . 
I 7 HOH 40  340 141 HOH HOH FFF . 
I 7 HOH 41  341 242 HOH HOH FFF . 
I 7 HOH 42  342 215 HOH HOH FFF . 
I 7 HOH 43  343 44  HOH HOH FFF . 
I 7 HOH 44  344 62  HOH HOH FFF . 
I 7 HOH 45  345 146 HOH HOH FFF . 
I 7 HOH 46  346 127 HOH HOH FFF . 
I 7 HOH 47  347 148 HOH HOH FFF . 
I 7 HOH 48  348 234 HOH HOH FFF . 
I 7 HOH 49  349 58  HOH HOH FFF . 
I 7 HOH 50  350 18  HOH HOH FFF . 
I 7 HOH 51  351 176 HOH HOH FFF . 
I 7 HOH 52  352 209 HOH HOH FFF . 
I 7 HOH 53  353 130 HOH HOH FFF . 
I 7 HOH 54  354 31  HOH HOH FFF . 
I 7 HOH 55  355 40  HOH HOH FFF . 
I 7 HOH 56  356 173 HOH HOH FFF . 
I 7 HOH 57  357 143 HOH HOH FFF . 
I 7 HOH 58  358 96  HOH HOH FFF . 
I 7 HOH 59  359 12  HOH HOH FFF . 
I 7 HOH 60  360 171 HOH HOH FFF . 
I 7 HOH 61  361 201 HOH HOH FFF . 
I 7 HOH 62  362 168 HOH HOH FFF . 
I 7 HOH 63  363 117 HOH HOH FFF . 
I 7 HOH 64  364 21  HOH HOH FFF . 
I 7 HOH 65  365 109 HOH HOH FFF . 
I 7 HOH 66  366 89  HOH HOH FFF . 
I 7 HOH 67  367 114 HOH HOH FFF . 
I 7 HOH 68  368 227 HOH HOH FFF . 
I 7 HOH 69  369 239 HOH HOH FFF . 
I 7 HOH 70  370 77  HOH HOH FFF . 
I 7 HOH 71  371 142 HOH HOH FFF . 
I 7 HOH 72  372 22  HOH HOH FFF . 
I 7 HOH 73  373 79  HOH HOH FFF . 
I 7 HOH 74  374 155 HOH HOH FFF . 
I 7 HOH 75  375 116 HOH HOH FFF . 
I 7 HOH 76  376 160 HOH HOH FFF . 
I 7 HOH 77  377 210 HOH HOH FFF . 
I 7 HOH 78  378 158 HOH HOH FFF . 
I 7 HOH 79  379 118 HOH HOH FFF . 
I 7 HOH 80  380 188 HOH HOH FFF . 
I 7 HOH 81  381 249 HOH HOH FFF . 
I 7 HOH 82  382 162 HOH HOH FFF . 
I 7 HOH 83  383 132 HOH HOH FFF . 
I 7 HOH 84  384 121 HOH HOH FFF . 
I 7 HOH 85  385 161 HOH HOH FFF . 
I 7 HOH 86  386 131 HOH HOH FFF . 
I 7 HOH 87  387 35  HOH HOH FFF . 
# 
_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   trimeric 
_pdbx_struct_assembly.oligomeric_count     3 
# 
_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)' 3330  ? 
1 MORE         -17   ? 
1 'SSA (A^2)'  21210 ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 AAA HOH 218 ? G HOH . 
2 1 EEE HOH 701 ? H HOH . 
3 1 EEE HOH 765 ? H HOH . 
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2021-08-11 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1  'X-RAY DIFFRACTION' ? refined 19.4470  -15.5020 17.3320  0.7076 ? -0.0873 ? -0.1278 ? 0.7091 ? -0.0139 ? 0.2006 ? 9.6235  ? 
-0.6203 ? -5.7949 ? 3.6658  ? 1.2379  ? 6.1886 ? 0.1661  ? -0.7571 ? 0.1197  ? 0.4970  ? -0.0418 ? -0.4532 ? -0.1371 ? 0.4740  ? 
-0.1244 ? 
2  'X-RAY DIFFRACTION' ? refined 15.0170  -14.8940 6.4290   0.5082 ? -0.0658 ? -0.0430 ? 0.4210 ? -0.0722 ? 0.0836 ? 6.7188  ? 
0.7238  ? -1.2712 ? 4.6618  ? -0.3295 ? 4.8892 ? 0.0778  ? -0.5581 ? -0.0074 ? 0.3728  ? -0.0438 ? 0.1771  ? -0.0934 ? 0.0374  ? 
-0.0341 ? 
3  'X-RAY DIFFRACTION' ? refined 14.0630  -8.4830  13.9860  0.6883 ? -0.0447 ? -0.0353 ? 0.5300 ? -0.1135 ? 0.2076 ? 11.2775 ? 
0.3835  ? -1.9916 ? 5.7656  ? -1.0252 ? 3.6114 ? 0.0581  ? -0.4716 ? 0.5480  ? 0.3191  ? -0.0362 ? 0.1585  ? -0.3715 ? 0.1461  ? 
-0.0219 ? 
4  'X-RAY DIFFRACTION' ? refined 15.4910  -20.0510 9.2620   0.5001 ? -0.0648 ? -0.0346 ? 0.4583 ? -0.0048 ? 0.1294 ? 2.6789  ? 
0.6240  ? -0.7966 ? 2.0920  ? 0.2242  ? 5.7778 ? -0.0009 ? -0.7372 ? -0.1751 ? 0.5542  ? -0.0515 ? -0.1395 ? 0.1579  ? 0.3609  ? 
0.0524  ? 
5  'X-RAY DIFFRACTION' ? refined 7.5740   -9.5450  -19.8410 0.3066 ? 0.0369  ? 0.0023  ? 0.3246 ? 0.0120  ? 0.2621 ? 5.8985  ? 
4.9213  ? -2.2155 ? 15.2056 ? -1.9432 ? 2.2483 ? -0.1067 ? 0.2879  ? 0.4003  ? -0.3772 ? 0.1490  ? 0.2018  ? -0.2356 ? -0.0232 ? 
-0.0423 ? 
6  'X-RAY DIFFRACTION' ? refined 14.7910  -19.5470 -14.0640 0.1802 ? -0.0433 ? -0.0003 ? 0.1907 ? -0.0215 ? 0.0683 ? 1.3444  ? 
0.5242  ? -0.3995 ? 2.8423  ? 0.2463  ? 1.5433 ? 0.0827  ? -0.1467 ? 0.1353  ? 0.1948  ? -0.0300 ? -0.0439 ? -0.1476 ? 0.1089  ? 
-0.0527 ? 
7  'X-RAY DIFFRACTION' ? refined 20.4690  -33.4650 -23.4330 0.1613 ? -0.0110 ? 0.0243  ? 0.2367 ? -0.0192 ? 0.1268 ? 1.2948  ? 
1.5512  ? 0.4788  ? 7.1322  ? -0.0111 ? 1.7780 ? -0.0205 ? 0.1092  ? -0.1924 ? -0.2929 ? 0.1513  ? -0.5349 ? -0.0124 ? 0.4454  ? 
-0.1308 ? 
8  'X-RAY DIFFRACTION' ? refined 14.3850  -26.0120 -17.4990 0.1732 ? -0.0135 ? -0.0219 ? 0.2230 ? 0.0056  ? 0.0235 ? 1.4145  ? 
0.5632  ? -0.4729 ? 1.6996  ? 0.0064  ? 0.8624 ? 0.0906  ? -0.1140 ? 0.1258  ? 0.1525  ? -0.0435 ? 0.1026  ? -0.0933 ? 0.1446  ? 
-0.0472 ? 
9  'X-RAY DIFFRACTION' ? refined -5.2060  -49.5290 -35.7400 0.1682 ? -0.0187 ? 0.0014  ? 0.1938 ? -0.0076 ? 0.0589 ? 3.2324  ? 
1.0084  ? 1.0750  ? 3.7659  ? -0.6787 ? 3.0104 ? -0.0667 ? 0.1821  ? -0.0831 ? -0.2031 ? 0.1582  ? 0.1241  ? 0.1647  ? -0.1495 ? 
-0.0915 ? 
10 'X-RAY DIFFRACTION' ? refined -10.2540 -55.8620 -21.8490 0.3154 ? -0.0268 ? 0.0110  ? 0.2956 ? 0.0221  ? 0.2489 ? 9.1759  ? 
0.7657  ? -1.8248 ? 0.0686  ? -0.0119 ? 6.1908 ? -0.0177 ? -0.4966 ? -0.1154 ? 0.0110  ? -0.0377 ? -0.0032 ? 0.4665  ? -0.4874 ? 
0.0554  ? 
11 'X-RAY DIFFRACTION' ? refined 2.7290   -52.6200 -31.5850 0.1783 ? 0.0098  ? -0.0127 ? 0.1524 ? -0.0082 ? 0.0800 ? 1.5807  ? 
-0.0923 ? 0.8231  ? 0.8395  ? -0.3515 ? 2.1164 ? 0.0292  ? 0.0629  ? -0.2153 ? -0.0758 ? 0.0172  ? -0.0343 ? 0.2489  ? 0.0679  ? 
-0.0463 ? 
12 'X-RAY DIFFRACTION' ? refined -5.0880  -50.2010 -25.2990 0.1583 ? 0.0095  ? 0.0003  ? 0.1342 ? 0.0197  ? 0.0434 ? 3.1082  ? 
0.5095  ? 0.8147  ? 1.3456  ? 0.6097  ? 2.2849 ? -0.0097 ? -0.1015 ? -0.1381 ? 0.0152  ? -0.0123 ? 0.1442  ? 0.1503  ? -0.1777 ? 
0.0219  ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1  'X-RAY DIFFRACTION' 1  ? ? AAA 1   ? ? ? AAA 27  ? ALL ? 
2  'X-RAY DIFFRACTION' 2  ? ? AAA 28  ? ? ? AAA 64  ? ALL ? 
3  'X-RAY DIFFRACTION' 3  ? ? AAA 65  ? ? ? AAA 89  ? ALL ? 
4  'X-RAY DIFFRACTION' 4  ? ? AAA 90  ? ? ? AAA 124 ? ALL ? 
5  'X-RAY DIFFRACTION' 5  ? ? EEE 334 ? ? ? EEE 346 ? ALL ? 
6  'X-RAY DIFFRACTION' 6  ? ? EEE 347 ? ? ? EEE 457 ? ALL ? 
7  'X-RAY DIFFRACTION' 7  ? ? EEE 458 ? ? ? EEE 473 ? ALL ? 
8  'X-RAY DIFFRACTION' 8  ? ? EEE 474 ? ? ? EEE 530 ? ALL ? 
9  'X-RAY DIFFRACTION' 9  ? ? FFF 1   ? ? ? FFF 36  ? ALL ? 
10 'X-RAY DIFFRACTION' 10 ? ? FFF 37  ? ? ? FFF 46  ? ALL ? 
11 'X-RAY DIFFRACTION' 11 ? ? FFF 47  ? ? ? FFF 88  ? ALL ? 
12 'X-RAY DIFFRACTION' 12 ? ? FFF 89  ? ? ? FFF 127 ? ALL ? 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .        4 
# 
_pdbx_entry_details.entry_id                 7OAP 
_pdbx_entry_details.has_ligand_of_interest   N 
_pdbx_entry_details.compound_details         ? 
_pdbx_entry_details.source_details           ? 
_pdbx_entry_details.nonpolymer_details       ? 
_pdbx_entry_details.sequence_details         ? 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   EEE 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    739 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   EEE 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    811 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.01 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    EEE 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     810 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    EEE 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     810 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   8_554 
_pdbx_validate_symm_contact.dist              1.80 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             FFF 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              19 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             FFF 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              19 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             FFF 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              19 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                124.55 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            12.75 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 SER AAA 25  ? ? -92.67  -98.53 
2 1 MET AAA 85  ? ? 38.12   48.99  
3 1 ALA AAA 92  ? ? 179.87  167.91 
4 1 ASN EEE 422 ? ? -126.73 -52.37 
5 1 LYS EEE 529 ? ? -100.86 67.69  
# 
_pdbx_validate_peptide_omega.id               1 
_pdbx_validate_peptide_omega.PDB_model_num    1 
_pdbx_validate_peptide_omega.auth_comp_id_1   SER 
_pdbx_validate_peptide_omega.auth_asym_id_1   AAA 
_pdbx_validate_peptide_omega.auth_seq_id_1    25 
_pdbx_validate_peptide_omega.PDB_ins_code_1   ? 
_pdbx_validate_peptide_omega.label_alt_id_1   ? 
_pdbx_validate_peptide_omega.auth_comp_id_2   GLY 
_pdbx_validate_peptide_omega.auth_asym_id_2   AAA 
_pdbx_validate_peptide_omega.auth_seq_id_2    26 
_pdbx_validate_peptide_omega.PDB_ins_code_2   ? 
_pdbx_validate_peptide_omega.label_alt_id_2   ? 
_pdbx_validate_peptide_omega.omega            -149.19 
# 
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 LYS 125 ? A LYS 125 
2  1 Y 1 AAA HIS 126 ? A HIS 126 
3  1 Y 1 AAA HIS 127 ? A HIS 127 
4  1 Y 1 AAA HIS 128 ? A HIS 128 
5  1 Y 1 AAA HIS 129 ? A HIS 129 
6  1 Y 1 AAA HIS 130 ? A HIS 130 
7  1 Y 1 AAA HIS 131 ? A HIS 131 
8  1 Y 1 EEE ASN 331 ? B ASN 1   
9  1 Y 1 EEE ILE 332 ? B ILE 2   
10 1 Y 1 EEE THR 333 ? B THR 3   
11 1 Y 1 EEE THR 531 ? B THR 201 
12 1 Y 1 EEE ASN 532 ? B ASN 202 
13 1 Y 1 EEE LYS 533 ? B LYS 203 
14 1 Y 1 EEE HIS 534 ? B HIS 204 
15 1 Y 1 EEE HIS 535 ? B HIS 205 
16 1 Y 1 EEE HIS 536 ? B HIS 206 
17 1 Y 1 EEE HIS 537 ? B HIS 207 
18 1 Y 1 EEE HIS 538 ? B HIS 208 
19 1 Y 1 EEE HIS 539 ? B HIS 209 
20 1 Y 1 FFF MET -1  ? C MET 1   
21 1 Y 1 FFF ALA 0   ? C ALA 2   
22 1 Y 1 FFF LYS 128 ? C LYS 130 
23 1 Y 1 FFF HIS 129 ? C HIS 131 
24 1 Y 1 FFF HIS 130 ? C HIS 132 
25 1 Y 1 FFF HIS 131 ? C HIS 133 
26 1 Y 1 FFF HIS 132 ? C HIS 134 
27 1 Y 1 FFF HIS 133 ? C HIS 135 
28 1 Y 1 FFF HIS 134 ? C HIS 136 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Wellcome Trust'                                     'United Kingdom' '100209/Z/12/Z)' 1 
'Engineering and Physical Sciences Research Council' 'United Kingdom' EP/S025243/1     2 
# 
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 
4 2-acetamido-2-deoxy-beta-D-glucopyranose NAG 
5 'CITRIC ACID'                            CIT 
6 'CHLORIDE ION'                           CL  
7 water                                    HOH 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
