data_6WB3
#
_model_server_result.job_id            nyEUezQxMJ0ssS-f-C2GDA 
_model_server_result.datetime_utc      '2026-03-10 20:29:35' 
_model_server_result.server_version    0.9.12 
_model_server_result.query_name        full 
_model_server_result.source_id         pdb-bcif 
_model_server_result.entry_id          6wb3 
#
_entry.id    6WB3 
#
_exptl.entry_id    6WB3 
_exptl.method      'X-ray diffraction' 
#
loop_
_entity.details
_entity.formula_weight
_entity.id
_entity.src_method
_entity.type
_entity.pdbx_description
_entity.pdbx_number_of_molecules
_entity.pdbx_parent_entity_id
_entity.pdbx_mutation
_entity.pdbx_fragment
_entity.pdbx_ec
? 3875.542 1 syn polymer Septin-4 2 . ? 'Coiled coil region' ? 
? 96.063 2 syn non-polymer 'SULFATE ION' 2 . ? ? ? 
? 59.044 3 syn non-polymer 'ACETATE ION' 2 . ? ? ? 
? 18.015 4 nat water water 44 . ? ? ? 
#
_cell.angle_alpha         90 
_cell.angle_beta          90 
_cell.angle_gamma         90 
_cell.entry_id            6WB3 
_cell.length_a            25.763 
_cell.length_b            41.463 
_cell.length_c            54.588 
_cell.Z_PDB               8 
_cell.pdbx_unique_axis    ? 
#
_symmetry.entry_id                 6WB3 
_symmetry.cell_setting             ? 
_symmetry.Int_Tables_number        19 
_symmetry.space_group_name_Hall    ? 
_symmetry.space_group_name_H-M     'P 21 21 21' 
#
_pdbx_struct_assembly.method_details        PISA 
_pdbx_struct_assembly.oligomeric_details    dimeric 
_pdbx_struct_assembly.oligomeric_count      2 
_pdbx_struct_assembly.details               author_and_software_defined_assembly 
_pdbx_struct_assembly.id                    1 
#
_pdbx_struct_assembly_gen.asym_id_list       A,B,C,D,E,F,G,H 
_pdbx_struct_assembly_gen.assembly_id        1 
_pdbx_struct_assembly_gen.oper_expression    1 
#
_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 
_pdbx_struct_oper_list.matrix[1][2]          0 
_pdbx_struct_oper_list.matrix[1][3]          0 
_pdbx_struct_oper_list.matrix[2][1]          0 
_pdbx_struct_oper_list.matrix[2][2]          1 
_pdbx_struct_oper_list.matrix[2][3]          0 
_pdbx_struct_oper_list.matrix[3][1]          0 
_pdbx_struct_oper_list.matrix[3][2]          0 
_pdbx_struct_oper_list.matrix[3][3]          1 
_pdbx_struct_oper_list.vector[1]             0 
_pdbx_struct_oper_list.vector[2]             0 
_pdbx_struct_oper_list.vector[3]             0 
#
loop_
_struct_conf.conf_type_id
_struct_conf.id
_struct_conf.beg_label_comp_id
_struct_conf.beg_label_seq_id
_struct_conf.pdbx_beg_PDB_ins_code
_struct_conf.beg_label_asym_id
_struct_conf.beg_label_entity_id
_struct_conf.beg_auth_comp_id
_struct_conf.beg_auth_seq_id
_struct_conf.beg_auth_asym_id
_struct_conf.end_label_comp_id
_struct_conf.end_label_seq_id
_struct_conf.pdbx_end_PDB_ins_code
_struct_conf.end_label_asym_id
_struct_conf.end_label_entity_id
_struct_conf.end_auth_comp_id
_struct_conf.end_auth_seq_id
_struct_conf.end_auth_asym_id
_struct_conf.pdbx_PDB_helix_class
_struct_conf.details
_struct_conf.pdbx_PDB_helix_length
helx_rh_al_p helx_rh_al_p1 THR 3 . A 1 THR 449 A GLU 30 . A 1 GLU 476 A . ? 28 
helx_rh_al_p helx_rh_al_p2 THR 3 . B 1 THR 449 B GLU 30 . B 1 GLU 476 B . ? 28 
#
loop_
_struct_asym.details
_struct_asym.entity_id
_struct_asym.id
_struct_asym.pdbx_modified
_struct_asym.pdbx_blank_PDB_chainid_flag
? 1 A N N 
? 1 B N N 
? 2 C N N 
? 3 D N N 
? 2 E N N 
? 3 F N N 
? 4 G N N 
? 4 H N N 
#
_entity_poly.entity_id                       1 
_entity_poly.nstd_linkage                    no 
_entity_poly.nstd_monomer                    yes 
_entity_poly.type                            polypeptide(L) 
_entity_poly.pdbx_strand_id                  A,B 
_entity_poly.pdbx_seq_one_letter_code        (ACE)ETEKLIREKDEELRRMQEMLHKIQKQMKEN(NH2) 
_entity_poly.pdbx_seq_one_letter_code_can    XETEKLIREKDEELRRMQEMLHKIQKQMKENX 
_entity_poly.pdbx_target_identifier          ? 
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.hetero
_entity_poly_seq.mon_id
_entity_poly_seq.num
1 n ACE 1 
1 n GLU 2 
1 n THR 3 
1 n GLU 4 
1 n LYS 5 
1 n LEU 6 
1 n ILE 7 
1 n ARG 8 
1 n GLU 9 
1 n LYS 10 
1 n ASP 11 
1 n GLU 12 
1 n GLU 13 
1 n LEU 14 
1 n ARG 15 
1 n ARG 16 
1 n MET 17 
1 n GLN 18 
1 n GLU 19 
1 n MET 20 
1 n LEU 21 
1 n HIS 22 
1 n LYS 23 
1 n ILE 24 
1 n GLN 25 
1 n LYS 26 
1 n GLN 27 
1 n MET 28 
1 n LYS 29 
1 n GLU 30 
1 n ASN 31 
1 n NH2 32 
#
loop_
_struct_conn.conn_type_id
_struct_conn.details
_struct_conn.id
_struct_conn.ptnr1_label_asym_id
_struct_conn.ptnr1_label_atom_id
_struct_conn.ptnr1_label_comp_id
_struct_conn.ptnr1_label_seq_id
_struct_conn.ptnr1_auth_asym_id
_struct_conn.ptnr1_auth_comp_id
_struct_conn.ptnr1_auth_seq_id
_struct_conn.ptnr1_symmetry
_struct_conn.ptnr2_label_asym_id
_struct_conn.ptnr2_label_atom_id
_struct_conn.ptnr2_label_comp_id
_struct_conn.ptnr2_label_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_ptnr1_PDB_ins_code
_struct_conn.pdbx_ptnr1_label_alt_id
_struct_conn.pdbx_ptnr1_standard_comp_id
_struct_conn.pdbx_ptnr2_PDB_ins_code
_struct_conn.pdbx_ptnr2_label_alt_id
_struct_conn.pdbx_ptnr3_PDB_ins_code
_struct_conn.pdbx_ptnr3_label_alt_id
_struct_conn.pdbx_ptnr3_label_asym_id
_struct_conn.pdbx_ptnr3_label_atom_id
_struct_conn.pdbx_ptnr3_label_comp_id
_struct_conn.pdbx_ptnr3_label_seq_id
_struct_conn.pdbx_PDB_id
_struct_conn.pdbx_dist_value
_struct_conn.pdbx_value_order
covale ? covale1 A C ACE 1 A ACE 447 1_555 A N GLU 2 A GLU 448 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.331 ? 
covale ? covale2 A C ASN 31 A ASN 477 1_555 A N NH2 32 A NH2 478 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.333 ? 
covale ? covale3 B C ACE 1 B ACE 447 1_555 B N GLU 2 B GLU 448 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.33 ? 
#
loop_
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.id
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.type
_chem_comp.pdbx_synonyms
'C2 H4 O' 44.053 ACE . 'ACETYL GROUP' non-polymer ? 
'C2 H3 O2 -1' 59.044 ACT . 'ACETATE ION' non-polymer ? 
'C6 H15 N4 O2 1' 175.209 ARG y ARGININE 'l-peptide linking' ? 
'C4 H8 N2 O3' 132.118 ASN y ASPARAGINE 'l-peptide linking' ? 
'C4 H7 N O4' 133.103 ASP y 'ASPARTIC ACID' 'l-peptide linking' ? 
'C5 H10 N2 O3' 146.144 GLN y GLUTAMINE 'l-peptide linking' ? 
'C5 H9 N O4' 147.129 GLU y 'GLUTAMIC ACID' 'l-peptide linking' ? 
'C6 H10 N3 O2 1' 156.162 HIS y HISTIDINE 'l-peptide linking' ? 
'H2 O' 18.015 HOH . WATER non-polymer ? 
'C6 H13 N O2' 131.173 ILE y ISOLEUCINE 'l-peptide linking' ? 
'C6 H13 N O2' 131.173 LEU y LEUCINE 'l-peptide linking' ? 
'C6 H15 N2 O2 1' 147.195 LYS y LYSINE 'l-peptide linking' ? 
'C5 H11 N O2 S' 149.211 MET y METHIONINE 'l-peptide linking' ? 
'H2 N' 16.023 NH2 . 'AMINO GROUP' non-polymer ? 
'O4 S -2' 96.063 SO4 . 'SULFATE ION' non-polymer ? 
'C4 H9 N O3' 119.119 THR y THREONINE 'l-peptide linking' ? 
#
loop_
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.comp_id
_chem_comp_bond.value_order
_chem_comp_bond.pdbx_ordinal
_chem_comp_bond.pdbx_stereo_config
_chem_comp_bond.pdbx_aromatic_flag
C O ACE doub 1 n n 
C CH3 ACE sing 2 n n 
C H ACE sing 3 n n 
CH3 H1 ACE sing 4 n n 
CH3 H2 ACE sing 5 n n 
CH3 H3 ACE sing 6 n n 
C O ACT doub 1 n n 
C OXT ACT sing 2 n n 
C CH3 ACT sing 3 n n 
CH3 H1 ACT sing 4 n n 
CH3 H2 ACT sing 5 n n 
CH3 H3 ACT sing 6 n n 
N CA ARG sing 1 n n 
N H ARG sing 2 n n 
N H2 ARG sing 3 n n 
CA C ARG sing 4 n n 
CA CB ARG sing 5 n n 
CA HA ARG sing 6 n n 
C O ARG doub 7 n n 
C OXT ARG sing 8 n n 
CB CG ARG sing 9 n n 
CB HB2 ARG sing 10 n n 
CB HB3 ARG sing 11 n n 
CG CD ARG sing 12 n n 
CG HG2 ARG sing 13 n n 
CG HG3 ARG sing 14 n n 
CD NE ARG sing 15 n n 
CD HD2 ARG sing 16 n n 
CD HD3 ARG sing 17 n n 
NE CZ ARG sing 18 n n 
NE HE ARG sing 19 n n 
CZ NH1 ARG sing 20 n n 
CZ NH2 ARG doub 21 n n 
NH1 HH11 ARG sing 22 n n 
NH1 HH12 ARG sing 23 n n 
NH2 HH21 ARG sing 24 n n 
NH2 HH22 ARG sing 25 n n 
OXT HXT ARG sing 26 n n 
N CA ASN sing 1 n n 
N H ASN sing 2 n n 
N H2 ASN sing 3 n n 
CA C ASN sing 4 n n 
CA CB ASN sing 5 n n 
CA HA ASN sing 6 n n 
C O ASN doub 7 n n 
C OXT ASN sing 8 n n 
CB CG ASN sing 9 n n 
CB HB2 ASN sing 10 n n 
CB HB3 ASN sing 11 n n 
CG OD1 ASN doub 12 n n 
CG ND2 ASN sing 13 n n 
ND2 HD21 ASN sing 14 n n 
ND2 HD22 ASN sing 15 n n 
OXT HXT ASN sing 16 n n 
N CA ASP sing 1 n n 
N H ASP sing 2 n n 
N H2 ASP sing 3 n n 
CA C ASP sing 4 n n 
CA CB ASP sing 5 n n 
CA HA ASP sing 6 n n 
C O ASP doub 7 n n 
C OXT ASP sing 8 n n 
CB CG ASP sing 9 n n 
CB HB2 ASP sing 10 n n 
CB HB3 ASP sing 11 n n 
CG OD1 ASP doub 12 n n 
CG OD2 ASP sing 13 n n 
OD2 HD2 ASP sing 14 n n 
OXT HXT ASP sing 15 n n 
N CA GLN sing 1 n n 
N H GLN sing 2 n n 
N H2 GLN sing 3 n n 
CA C GLN sing 4 n n 
CA CB GLN sing 5 n n 
CA HA GLN sing 6 n n 
C O GLN doub 7 n n 
C OXT GLN sing 8 n n 
CB CG GLN sing 9 n n 
CB HB2 GLN sing 10 n n 
CB HB3 GLN sing 11 n n 
CG CD GLN sing 12 n n 
CG HG2 GLN sing 13 n n 
CG HG3 GLN sing 14 n n 
CD OE1 GLN doub 15 n n 
CD NE2 GLN sing 16 n n 
NE2 HE21 GLN sing 17 n n 
NE2 HE22 GLN sing 18 n n 
OXT HXT GLN sing 19 n n 
N CA GLU sing 1 n n 
N H GLU sing 2 n n 
N H2 GLU sing 3 n n 
CA C GLU sing 4 n n 
CA CB GLU sing 5 n n 
CA HA GLU sing 6 n n 
C O GLU doub 7 n n 
C OXT GLU sing 8 n n 
CB CG GLU sing 9 n n 
CB HB2 GLU sing 10 n n 
CB HB3 GLU sing 11 n n 
CG CD GLU sing 12 n n 
CG HG2 GLU sing 13 n n 
CG HG3 GLU sing 14 n n 
CD OE1 GLU doub 15 n n 
CD OE2 GLU sing 16 n n 
OE2 HE2 GLU sing 17 n n 
OXT HXT GLU sing 18 n n 
N CA HIS sing 1 n n 
N H HIS sing 2 n n 
N H2 HIS sing 3 n n 
CA C HIS sing 4 n n 
CA CB HIS sing 5 n n 
CA HA HIS sing 6 n n 
C O HIS doub 7 n n 
C OXT HIS sing 8 n n 
CB CG HIS sing 9 n n 
CB HB2 HIS sing 10 n n 
CB HB3 HIS sing 11 n n 
CG ND1 HIS sing 12 n y 
CG CD2 HIS doub 13 n y 
ND1 CE1 HIS doub 14 n y 
ND1 HD1 HIS sing 15 n n 
CD2 NE2 HIS sing 16 n y 
CD2 HD2 HIS sing 17 n n 
CE1 NE2 HIS sing 18 n y 
CE1 HE1 HIS sing 19 n n 
NE2 HE2 HIS sing 20 n n 
OXT HXT HIS sing 21 n n 
O H1 HOH sing 1 n n 
O H2 HOH sing 2 n n 
N CA ILE sing 1 n n 
N H ILE sing 2 n n 
N H2 ILE sing 3 n n 
CA C ILE sing 4 n n 
CA CB ILE sing 5 n n 
CA HA ILE sing 6 n n 
C O ILE doub 7 n n 
C OXT ILE sing 8 n n 
CB CG1 ILE sing 9 n n 
CB CG2 ILE sing 10 n n 
CB HB ILE sing 11 n n 
CG1 CD1 ILE sing 12 n n 
CG1 HG12 ILE sing 13 n n 
CG1 HG13 ILE sing 14 n n 
CG2 HG21 ILE sing 15 n n 
CG2 HG22 ILE sing 16 n n 
CG2 HG23 ILE sing 17 n n 
CD1 HD11 ILE sing 18 n n 
CD1 HD12 ILE sing 19 n n 
CD1 HD13 ILE sing 20 n n 
OXT HXT ILE sing 21 n n 
N CA LEU sing 1 n n 
N H LEU sing 2 n n 
N H2 LEU sing 3 n n 
CA C LEU sing 4 n n 
CA CB LEU sing 5 n n 
CA HA LEU sing 6 n n 
C O LEU doub 7 n n 
C OXT LEU sing 8 n n 
CB CG LEU sing 9 n n 
CB HB2 LEU sing 10 n n 
CB HB3 LEU sing 11 n n 
CG CD1 LEU sing 12 n n 
CG CD2 LEU sing 13 n n 
CG HG LEU sing 14 n n 
CD1 HD11 LEU sing 15 n n 
CD1 HD12 LEU sing 16 n n 
CD1 HD13 LEU sing 17 n n 
CD2 HD21 LEU sing 18 n n 
CD2 HD22 LEU sing 19 n n 
CD2 HD23 LEU sing 20 n n 
OXT HXT LEU sing 21 n n 
N CA LYS sing 1 n n 
N H LYS sing 2 n n 
N H2 LYS sing 3 n n 
CA C LYS sing 4 n n 
CA CB LYS sing 5 n n 
CA HA LYS sing 6 n n 
C O LYS doub 7 n n 
C OXT LYS sing 8 n n 
CB CG LYS sing 9 n n 
CB HB2 LYS sing 10 n n 
CB HB3 LYS sing 11 n n 
CG CD LYS sing 12 n n 
CG HG2 LYS sing 13 n n 
CG HG3 LYS sing 14 n n 
CD CE LYS sing 15 n n 
CD HD2 LYS sing 16 n n 
CD HD3 LYS sing 17 n n 
CE NZ LYS sing 18 n n 
CE HE2 LYS sing 19 n n 
CE HE3 LYS sing 20 n n 
NZ HZ1 LYS sing 21 n n 
NZ HZ2 LYS sing 22 n n 
NZ HZ3 LYS sing 23 n n 
OXT HXT LYS sing 24 n n 
N CA MET sing 1 n n 
N H MET sing 2 n n 
N H2 MET sing 3 n n 
CA C MET sing 4 n n 
CA CB MET sing 5 n n 
CA HA MET sing 6 n n 
C O MET doub 7 n n 
C OXT MET sing 8 n n 
CB CG MET sing 9 n n 
CB HB2 MET sing 10 n n 
CB HB3 MET sing 11 n n 
CG SD MET sing 12 n n 
CG HG2 MET sing 13 n n 
CG HG3 MET sing 14 n n 
SD CE MET sing 15 n n 
CE HE1 MET sing 16 n n 
CE HE2 MET sing 17 n n 
CE HE3 MET sing 18 n n 
OXT HXT MET sing 19 n n 
N HN1 NH2 sing 1 n n 
N HN2 NH2 sing 2 n n 
S O1 SO4 doub 1 n n 
S O2 SO4 doub 2 n n 
S O3 SO4 sing 3 n n 
S O4 SO4 sing 4 n n 
N CA THR sing 1 n n 
N H THR sing 2 n n 
N H2 THR sing 3 n n 
CA C THR sing 4 n n 
CA CB THR sing 5 n n 
CA HA THR sing 6 n n 
C O THR doub 7 n n 
C OXT THR sing 8 n n 
CB OG1 THR sing 9 n n 
CB CG2 THR sing 10 n n 
CB HB THR sing 11 n n 
OG1 HG1 THR sing 12 n n 
CG2 HG21 THR sing 13 n n 
CG2 HG22 THR sing 14 n n 
CG2 HG23 THR sing 15 n n 
OXT HXT THR sing 16 n n 
#
_atom_sites.entry_id                     6WB3 
_atom_sites.fract_transf_matrix[1][1]    0.038815 
_atom_sites.fract_transf_matrix[1][2]    0 
_atom_sites.fract_transf_matrix[1][3]    0 
_atom_sites.fract_transf_matrix[2][1]    0 
_atom_sites.fract_transf_matrix[2][2]    0.024118 
_atom_sites.fract_transf_matrix[2][3]    0 
_atom_sites.fract_transf_matrix[3][1]    0 
_atom_sites.fract_transf_matrix[3][2]    0 
_atom_sites.fract_transf_matrix[3][3]    0.018319 
_atom_sites.fract_transf_vector[1]       0 
_atom_sites.fract_transf_vector[2]       0 
_atom_sites.fract_transf_vector[3]       0 
#
loop_
_pdbx_nonpoly_scheme.asym_id
_pdbx_nonpoly_scheme.entity_id
_pdbx_nonpoly_scheme.mon_id
_pdbx_nonpoly_scheme.pdb_strand_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_ins_code
C 2 SO4 A 1 501 2 SO4 SO4 . 
D 3 ACT A 1 502 2 ACT ACT . 
E 2 SO4 B 1 501 1 SO4 SO4 . 
F 3 ACT B 1 502 1 ACT ACT . 
G 4 HOH A 1 601 4 HOH HOH . 
G 4 HOH A 2 602 36 HOH HOH . 
G 4 HOH A 3 603 32 HOH HOH . 
G 4 HOH A 4 604 30 HOH HOH . 
G 4 HOH A 5 605 15 HOH HOH . 
G 4 HOH A 6 606 20 HOH HOH . 
G 4 HOH A 7 607 25 HOH HOH . 
G 4 HOH A 8 608 9 HOH HOH . 
G 4 HOH A 9 609 17 HOH HOH . 
G 4 HOH A 10 610 13 HOH HOH . 
G 4 HOH A 11 611 8 HOH HOH . 
G 4 HOH A 12 612 42 HOH HOH . 
G 4 HOH A 13 613 43 HOH HOH . 
G 4 HOH A 14 614 37 HOH HOH . 
G 4 HOH A 15 615 24 HOH HOH . 
G 4 HOH A 16 616 18 HOH HOH . 
G 4 HOH A 17 617 44 HOH HOH . 
G 4 HOH A 18 618 12 HOH HOH . 
G 4 HOH A 19 619 26 HOH HOH . 
G 4 HOH A 20 620 38 HOH HOH . 
G 4 HOH A 21 621 33 HOH HOH . 
G 4 HOH A 22 622 34 HOH HOH . 
G 4 HOH A 23 623 3 HOH HOH . 
H 4 HOH B 1 601 5 HOH HOH . 
H 4 HOH B 2 602 7 HOH HOH . 
H 4 HOH B 3 603 35 HOH HOH . 
H 4 HOH B 4 604 1 HOH HOH . 
H 4 HOH B 5 605 6 HOH HOH . 
H 4 HOH B 6 606 16 HOH HOH . 
H 4 HOH B 7 607 31 HOH HOH . 
H 4 HOH B 8 608 41 HOH HOH . 
H 4 HOH B 9 609 21 HOH HOH . 
H 4 HOH B 10 610 11 HOH HOH . 
H 4 HOH B 11 611 14 HOH HOH . 
H 4 HOH B 12 612 29 HOH HOH . 
H 4 HOH B 13 613 22 HOH HOH . 
H 4 HOH B 14 614 27 HOH HOH . 
H 4 HOH B 15 615 2 HOH HOH . 
H 4 HOH B 16 616 23 HOH HOH . 
H 4 HOH B 17 617 39 HOH HOH . 
H 4 HOH B 18 618 40 HOH HOH . 
H 4 HOH B 19 619 28 HOH HOH . 
H 4 HOH B 20 620 10 HOH HOH . 
H 4 HOH B 21 621 19 HOH HOH . 
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_comp_id
_atom_site.label_seq_id
_atom_site.label_alt_id
_atom_site.pdbx_PDB_ins_code
_atom_site.label_asym_id
_atom_site.label_entity_id
_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_atom_id
_atom_site.auth_comp_id
_atom_site.auth_seq_id
_atom_site.auth_asym_id
_atom_site.pdbx_PDB_model_num
_atom_site.pdbx_label_index
_atom_site.pdbx_sifts_xref_db_name
_atom_site.pdbx_sifts_xref_db_acc
_atom_site.pdbx_sifts_xref_db_num
_atom_site.pdbx_sifts_xref_db_res
HETATM 1 C C ACE 1 . . A 1 20.083 46.873 14.412 1 45.67 ? C ACE 447 A 1 1 ? ? ? ? 
HETATM 2 O O ACE 1 . . A 1 19.721 45.726 14.152 1 45.11 ? O ACE 447 A 1 1 ? ? ? ? 
HETATM 3 C CH3 ACE 1 . . A 1 20.622 47.235 15.813 1 46.94 ? CH3 ACE 447 A 1 1 ? ? ? ? 
ATOM 4 N N GLU 2 . . A 1 20.061 47.862 13.522 1 44.67 ? N GLU 448 A 1 2 UNP O43236 966 E 
ATOM 5 C CA GLU 2 . . A 1 19.536 47.698 12.166 1 42.72 ? CA GLU 448 A 1 2 UNP O43236 966 E 
ATOM 6 C C GLU 2 . . A 1 20.245 46.642 11.324 1 40.08 ? C GLU 448 A 1 2 UNP O43236 966 E 
ATOM 7 O O GLU 2 . . A 1 19.571 45.801 10.732 1 38.84 ? O GLU 448 A 1 2 UNP O43236 966 E 
ATOM 8 C CB GLU 2 . . A 1 19.536 49.041 11.425 1 46.38 ? CB GLU 448 A 1 2 UNP O43236 966 E 
ATOM 9 N N THR 3 . . A 1 21.582 46.682 11.256 1 38.97 ? N THR 449 A 1 3 UNP O43236 967 T 
ATOM 10 C CA THR 3 . . A 1 22.348 45.723 10.449 1 37.48 ? CA THR 449 A 1 3 UNP O43236 967 T 
ATOM 11 C C THR 3 . . A 1 22.278 44.316 11.021 1 35.71 ? C THR 449 A 1 3 UNP O43236 967 T 
ATOM 12 O O THR 3 . . A 1 22.133 43.351 10.282 1 33.29 ? O THR 449 A 1 3 UNP O43236 967 T 
ATOM 13 C CB THR 3 . . A 1 23.796 46.184 10.286 1 39.06 ? CB THR 449 A 1 3 UNP O43236 967 T 
ATOM 14 O OG1 THR 3 . . A 1 23.791 47.461 9.659 1 41.34 ? OG1 THR 449 A 1 3 UNP O43236 967 T 
ATOM 15 C CG2 THR 3 . . A 1 24.626 45.21 9.441 1 39.37 ? CG2 THR 449 A 1 3 UNP O43236 967 T 
ATOM 16 N N GLU 4 . . A 1 22.306 44.209 12.352 1 36.39 ? N GLU 450 A 1 4 UNP O43236 968 E 
ATOM 17 C CA GLU 4 . . A 1 22.194 42.939 13.051 1 36.08 ? CA GLU 450 A 1 4 UNP O43236 968 E 
ATOM 18 C C GLU 4 . . A 1 20.845 42.288 12.721 1 35.41 ? C GLU 450 A 1 4 UNP O43236 968 E 
ATOM 19 O O GLU 4 . . A 1 20.783 41.087 12.457 1 34.92 ? O GLU 450 A 1 4 UNP O43236 968 E 
ATOM 20 C CB GLU 4 . . A 1 22.339 43.155 14.572 1 38.23 ? CB GLU 450 A 1 4 UNP O43236 968 E 
ATOM 21 C CG GLU 4 . . A 1 23.757 43.471 15.023 1 43.87 ? CG GLU 450 A 1 4 UNP O43236 968 E 
ATOM 22 C CD GLU 4 . . A 1 24.194 44.923 14.953 1 49.12 ? CD GLU 450 A 1 4 UNP O43236 968 E 
ATOM 23 O OE1 GLU 4 . . A 1 23.439 45.753 14.395 1 47.75 ? OE1 GLU 450 A 1 4 UNP O43236 968 E 
ATOM 24 O OE2 GLU 4 . . A 1 25.304 45.233 15.447 1 53.62 ? OE2 GLU 450 A 1 4 UNP O43236 968 E 
ATOM 25 N N LYS 5 . . A 1 19.766 43.084 12.719 1 35.57 ? N LYS 451 A 1 5 UNP O43236 969 K 
ATOM 26 C CA LYS 5 . . A 1 18.435 42.576 12.375 1 35.3 ? CA LYS 451 A 1 5 UNP O43236 969 K 
ATOM 27 C C LYS 5 . . A 1 18.373 42.15 10.917 1 33.79 ? C LYS 451 A 1 5 UNP O43236 969 K 
ATOM 28 O O LYS 5 . . A 1 17.741 41.155 10.589 1 33.29 ? O LYS 451 A 1 5 UNP O43236 969 K 
ATOM 29 C CB LYS 5 . . A 1 17.355 43.63 12.654 1 39.46 ? CB LYS 451 A 1 5 UNP O43236 969 K 
ATOM 30 N N LEU 6 . . A 1 19.018 42.91 10.039 1 32.2 ? N LEU 452 A 1 6 UNP O43236 970 L 
ATOM 31 C CA LEU 6 . . A 1 19.051 42.591 8.616 1 30.55 ? CA LEU 452 A 1 6 UNP O43236 970 L 
ATOM 32 C C LEU 6 . . A 1 19.747 41.24 8.378 1 28.96 ? C LEU 452 A 1 6 UNP O43236 970 L 
ATOM 33 O O LEU 6 . . A 1 19.231 40.405 7.62 1 28.87 ? O LEU 452 A 1 6 UNP O43236 970 L 
ATOM 34 C CB LEU 6 . . A 1 19.754 43.727 7.862 1 31.42 ? CB LEU 452 A 1 6 UNP O43236 970 L 
ATOM 35 C CG LEU 6 . . A 1 20.13 43.471 6.399 1 34.44 ? CG LEU 452 A 1 6 UNP O43236 970 L 
ATOM 36 C CD1 LEU 6 . . A 1 18.899 43.15 5.541 1 36.39 ? CD1 LEU 452 A 1 6 UNP O43236 970 L 
ATOM 37 C CD2 LEU 6 . . A 1 20.904 44.636 5.836 1 35.48 ? CD2 LEU 452 A 1 6 UNP O43236 970 L 
ATOM 38 N N ILE 7 . . A 1 20.852 40.989 9.078 1 27.31 ? N ILE 453 A 1 7 UNP O43236 971 I 
ATOM 39 C CA ILE 7 . . A 1 21.584 39.735 8.931 1 26.5 ? CA ILE 453 A 1 7 UNP O43236 971 I 
ATOM 40 C C ILE 7 . . A 1 20.767 38.564 9.475 1 26.24 ? C ILE 453 A 1 7 UNP O43236 971 I 
ATOM 41 O O ILE 7 . . A 1 20.708 37.519 8.827 1 25.09 ? O ILE 453 A 1 7 UNP O43236 971 I 
ATOM 42 C CB ILE 7 . . A 1 23.005 39.819 9.498 1 27.76 ? CB ILE 453 A 1 7 UNP O43236 971 I 
ATOM 43 C CG1 ILE 7 . . A 1 23.803 40.871 8.697 1 30.18 ? CG1 ILE 453 A 1 7 UNP O43236 971 I 
ATOM 44 C CG2 ILE 7 . . A 1 23.693 38.442 9.456 1 27.72 ? CG2 ILE 453 A 1 7 UNP O43236 971 I 
ATOM 45 C CD1 ILE 7 . . A 1 25.039 41.217 9.283 1 33.51 ? CD1 ILE 453 A 1 7 UNP O43236 971 I 
ATOM 46 N N ARG 8 . . A 1 20.04 38.771 10.576 1 27.3 ? N ARG 454 A 1 8 UNP O43236 972 R 
ATOM 47 C CA ARG 8 . . A 1 19.144 37.754 11.115 1 28.34 ? CA ARG 454 A 1 8 UNP O43236 972 R 
ATOM 48 C C ARG 8 . . A 1 18.036 37.465 10.12 1 27.7 ? C ARG 454 A 1 8 UNP O43236 972 R 
ATOM 49 O O ARG 8 . . A 1 17.698 36.3 9.938 1 27.53 ? O ARG 454 A 1 8 UNP O43236 972 R 
ATOM 50 C CB ARG 8 . . A 1 18.537 38.22 12.444 1 32.04 ? CB ARG 454 A 1 8 UNP O43236 972 R 
ATOM 51 C CG ARG 8 . . A 1 19.522 38.152 13.595 1 36.6 ? CG ARG 454 A 1 8 UNP O43236 972 R 
ATOM 52 C CD ARG 8 . . A 1 18.834 38.238 14.945 1 43.04 ? CD ARG 454 A 1 8 UNP O43236 972 R 
ATOM 53 N NE ARG 8 . . A 1 18.079 39.483 15.112 1 48.77 ? NE ARG 454 A 1 8 UNP O43236 972 R 
ATOM 54 C CZ ARG 8 . . A 1 18.556 40.585 15.684 1 53.08 ? CZ ARG 454 A 1 8 UNP O43236 972 R 
ATOM 55 N NH1 ARG 8 . . A 1 17.797 41.667 15.787 1 53.27 ? NH1 ARG 454 A 1 8 UNP O43236 972 R 
ATOM 56 N NH2 ARG 8 . . A 1 19.793 40.611 16.165 1 54.56 ? NH2 ARG 454 A 1 8 UNP O43236 972 R 
ATOM 57 N N GLU 9 . . A 1 17.518 38.492 9.418 1 26.62 ? N GLU 455 A 1 9 UNP O43236 973 E 
ATOM 58 C CA GLU 9 . . A 1 16.478 38.298 8.411 1 26.05 ? CA GLU 455 A 1 9 UNP O43236 973 E 
ATOM 59 C C GLU 9 . . A 1 17.02 37.437 7.268 1 24.33 ? C GLU 455 A 1 9 UNP O43236 973 E 
ATOM 60 O O GLU 9 . . A 1 16.312 36.558 6.758 1 24.29 ? O GLU 455 A 1 9 UNP O43236 973 E 
ATOM 61 C CB GLU 9 . . A 1 15.984 39.648 7.864 1 29.22 ? CB GLU 455 A 1 9 UNP O43236 973 E 
ATOM 62 N N LYS 10 . . A 1 18.26 37.683 6.834 1 24.25 ? N LYS 456 A 1 10 UNP O43236 974 K 
ATOM 63 C CA LYS 10 . . A 1 18.885 36.872 5.776 1 23.5 ? CA LYS 456 A 1 10 UNP O43236 974 K 
ATOM 64 C C LYS 10 . . A 1 19.051 35.411 6.204 1 22.69 ? C LYS 456 A 1 10 UNP O43236 974 K 
ATOM 65 O O LYS 10 . . A 1 18.75 34.484 5.432 1 21.3 ? O LYS 456 A 1 10 UNP O43236 974 K 
ATOM 66 C CB LYS 10 . . A 1 20.217 37.464 5.336 1 24.52 ? CB LYS 456 A 1 10 UNP O43236 974 K 
ATOM 67 C CG LYS 10 . . A 1 20.083 38.849 4.721 1 28.58 ? CG LYS 456 A 1 10 UNP O43236 974 K 
ATOM 68 C CD LYS 10 . . A 1 19.241 38.858 3.45 1 33.65 ? CD LYS 456 A 1 10 UNP O43236 974 K 
ATOM 69 C CE LYS 10 . . A 1 19.128 40.281 2.923 1 38.45 ? CE LYS 456 A 1 10 UNP O43236 974 K 
ATOM 70 N NZ LYS 10 . . A 1 18.135 40.388 1.821 1 42.88 ? NZ LYS 456 A 1 10 UNP O43236 974 K 
ATOM 71 N N ASP 11 . . A 1 19.411 35.186 7.462 1 22.8 ? N ASP 457 A 1 11 UNP O43236 975 D 
ATOM 72 C CA ASP 11 . . A 1 19.539 33.829 7.995 1 23.76 ? CA ASP 457 A 1 11 UNP O43236 975 D 
ATOM 73 C C ASP 11 . . A 1 18.168 33.136 7.979 1 23.81 ? C ASP 457 A 1 11 UNP O43236 975 D 
ATOM 74 O O ASP 11 . . A 1 18.08 31.966 7.59 1 23.53 ? O ASP 457 A 1 11 UNP O43236 975 D 
ATOM 75 C CB ASP 11 . . A 1 20.101 33.881 9.423 1 26.34 ? CB ASP 457 A 1 11 UNP O43236 975 D 
ATOM 76 C CG ASP 11 . . A 1 20.853 32.648 9.87 1 33.55 ? CG ASP 457 A 1 11 UNP O43236 975 D 
ATOM 77 O OD1 ASP 11 . . A 1 21.051 31.737 9.042 1 34.36 ? OD1 ASP 457 A 1 11 UNP O43236 975 D 
ATOM 78 O OD2 ASP 11 . . A 1 21.246 32.59 11.056 1 36.1 ? OD2 ASP 457 A 1 11 UNP O43236 975 D 
ATOM 79 N N GLU 12 . . A 1 17.085 33.876 8.354 1 24.57 ? N GLU 458 A 1 12 UNP O43236 976 E 
ATOM 80 C CA GLU 12 . . A 1 15.715 33.363 8.334 1 25.26 ? CA GLU 458 A 1 12 UNP O43236 976 E 
ATOM 81 C C GLU 12 . . A 1 15.328 32.986 6.919 1 23.38 ? C GLU 458 A 1 12 UNP O43236 976 E 
ATOM 82 O O GLU 12 . . A 1 14.756 31.907 6.698 1 22.89 ? O GLU 458 A 1 12 UNP O43236 976 E 
ATOM 83 C CB GLU 12 . . A 1 14.74 34.41 8.885 1 29.78 ? CB GLU 458 A 1 12 UNP O43236 976 E 
ATOM 84 C CG GLU 12 . . A 1 13.39 33.835 9.265 1 37.03 ? CG GLU 458 A 1 12 UNP O43236 976 E 
ATOM 85 C CD GLU 12 . . A 1 12.342 33.793 8.174 1 45.26 ? CD GLU 458 A 1 12 UNP O43236 976 E 
ATOM 86 O OE1 GLU 12 . . A 1 12.483 34.53 7.17 1 46.87 ? OE1 GLU 458 A 1 12 UNP O43236 976 E 
ATOM 87 O OE2 GLU 12 . . A 1 11.371 33.021 8.333 1 46.87 ? OE2 GLU 458 A 1 12 UNP O43236 976 E 
ATOM 88 N N GLU 13 . . A 1 15.667 33.837 5.944 1 21.73 ? N GLU 459 A 1 13 UNP O43236 977 E 
ATOM 89 C CA GLU 13 A . A 1 15.373 33.575 4.54 0.5 21.05 ? CA GLU 459 A 1 13 UNP O43236 977 E 
ATOM 90 C CA GLU 13 B . A 1 15.377 33.562 4.531 0.5 20.9 ? CA GLU 459 A 1 13 UNP O43236 977 E 
ATOM 91 C C GLU 13 . . A 1 16.04 32.259 4.094 1 20.01 ? C GLU 459 A 1 13 UNP O43236 977 E 
ATOM 92 O O GLU 13 . . A 1 15.398 31.413 3.444 1 19.24 ? O GLU 459 A 1 13 UNP O43236 977 E 
ATOM 93 C CB GLU 13 A . A 1 15.891 34.754 3.71 0.5 22.99 ? CB GLU 459 A 1 13 UNP O43236 977 E 
ATOM 94 C CB GLU 13 B . A 1 15.91 34.689 3.638 0.5 22.32 ? CB GLU 459 A 1 13 UNP O43236 977 E 
ATOM 95 C CG GLU 13 A . A 1 15.737 34.601 2.215 0.5 26.75 ? CG GLU 459 A 1 13 UNP O43236 977 E 
ATOM 96 C CG GLU 13 B . A 1 15.111 35.971 3.701 0.5 25.22 ? CG GLU 459 A 1 13 UNP O43236 977 E 
ATOM 97 C CD GLU 13 A . A 1 16.254 35.829 1.49 0.5 32.02 ? CD GLU 459 A 1 13 UNP O43236 977 E 
ATOM 98 C CD GLU 13 B . A 1 15.557 37.043 2.724 0.5 32.23 ? CD GLU 459 A 1 13 UNP O43236 977 E 
ATOM 99 O OE1 GLU 13 A . A 1 15.447 36.743 1.211 0.5 33.44 ? OE1 GLU 459 A 1 13 UNP O43236 977 E 
ATOM 100 O OE1 GLU 13 B . A 1 14.892 38.102 2.668 0.5 36.04 ? OE1 GLU 459 A 1 13 UNP O43236 977 E 
ATOM 101 O OE2 GLU 13 A . A 1 17.479 35.897 1.242 0.5 36.04 ? OE2 GLU 459 A 1 13 UNP O43236 977 E 
ATOM 102 O OE2 GLU 13 B . A 1 16.552 36.821 1.995 0.5 34.45 ? OE2 GLU 459 A 1 13 UNP O43236 977 E 
ATOM 103 N N LEU 14 . . A 1 17.291 32.058 4.474 1 18.72 ? N LEU 460 A 1 14 UNP O43236 978 L 
ATOM 104 C CA LEU 14 . . A 1 18.024 30.842 4.097 1 18.5 ? CA LEU 460 A 1 14 UNP O43236 978 L 
ATOM 105 C C LEU 14 . . A 1 17.392 29.614 4.744 1 18.91 ? C LEU 460 A 1 14 UNP O43236 978 L 
ATOM 106 O O LEU 14 . . A 1 17.292 28.573 4.082 1 18.2 ? O LEU 460 A 1 14 UNP O43236 978 L 
ATOM 107 C CB LEU 14 . . A 1 19.476 30.978 4.498 1 18.97 ? CB LEU 460 A 1 14 UNP O43236 978 L 
ATOM 108 C CG LEU 14 . . A 1 20.228 32.056 3.743 1 19.23 ? CG LEU 460 A 1 14 UNP O43236 978 L 
ATOM 109 C CD1 LEU 14 . . A 1 21.554 32.306 4.367 1 20.91 ? CD1 LEU 460 A 1 14 UNP O43236 978 L 
ATOM 110 C CD2 LEU 14 . . A 1 20.369 31.688 2.25 1 21.29 ? CD2 LEU 460 A 1 14 UNP O43236 978 L 
ATOM 111 N N ARG 15 . . A 1 16.907 29.721 5.991 1 19.8 ? N ARG 461 A 1 15 UNP O43236 979 R 
ATOM 112 C CA ARG 15 . . A 1 16.214 28.615 6.638 1 20.61 ? CA ARG 461 A 1 15 UNP O43236 979 R 
ATOM 113 C C ARG 15 . . A 1 14.924 28.314 5.9 1 19.9 ? C ARG 461 A 1 15 UNP O43236 979 R 
ATOM 114 O O ARG 15 . . A 1 14.62 27.147 5.696 1 20.27 ? O ARG 461 A 1 15 UNP O43236 979 R 
ATOM 115 C CB ARG 15 . . A 1 15.899 29.007 8.085 1 23.15 ? CB ARG 461 A 1 15 UNP O43236 979 R 
ATOM 116 C CG ARG 15 . . A 1 17.124 29.098 8.93 1 29.72 ? CG ARG 461 A 1 15 UNP O43236 979 R 
ATOM 117 C CD ARG 15 . . A 1 16.794 28.995 10.4 1 35.3 ? CD ARG 461 A 1 15 UNP O43236 979 R 
ATOM 118 N NE ARG 15 . . A 1 16.038 30.163 10.857 1 39.54 ? NE ARG 461 A 1 15 UNP O43236 979 R 
ATOM 119 C CZ ARG 15 . . A 1 16.586 31.297 11.276 1 42.35 ? CZ ARG 461 A 1 15 UNP O43236 979 R 
ATOM 120 N NH1 ARG 15 . . A 1 17.905 31.445 11.274 1 43.61 ? NH1 ARG 461 A 1 15 UNP O43236 979 R 
ATOM 121 N NH2 ARG 15 . . A 1 15.82 32.299 11.679 1 42.87 ? NH2 ARG 461 A 1 15 UNP O43236 979 R 
ATOM 122 N N ARG 16 . . A 1 14.154 29.327 5.484 1 20.27 ? N ARG 462 A 1 16 UNP O43236 980 R 
ATOM 123 C CA ARG 16 . . A 1 12.91 29.104 4.751 1 19.86 ? CA ARG 462 A 1 16 UNP O43236 980 R 
ATOM 124 C C ARG 16 . . A 1 13.173 28.469 3.407 1 18.07 ? C ARG 462 A 1 16 UNP O43236 980 R 
ATOM 125 O O ARG 16 . . A 1 12.358 27.655 2.957 1 18.04 ? O ARG 462 A 1 16 UNP O43236 980 R 
ATOM 126 C CB ARG 16 . . A 1 12.116 30.398 4.557 1 22.97 ? CB ARG 462 A 1 16 UNP O43236 980 R 
ATOM 127 C CG ARG 16 . . A 1 11.723 31.1 5.834 1 31.26 ? CG ARG 462 A 1 16 UNP O43236 980 R 
ATOM 128 C CD ARG 16 . . A 1 10.548 30.479 6.55 1 37.69 ? CD ARG 462 A 1 16 UNP O43236 980 R 
ATOM 129 N NE ARG 16 . . A 1 10.907 29.236 7.232 1 44.17 ? NE ARG 462 A 1 16 UNP O43236 980 R 
ATOM 130 C CZ ARG 16 . . A 1 11.431 29.167 8.451 1 47.7 ? CZ ARG 462 A 1 16 UNP O43236 980 R 
ATOM 131 N NH1 ARG 16 . . A 1 11.74 27.991 8.98 1 47.97 ? NH1 ARG 462 A 1 16 UNP O43236 980 R 
ATOM 132 N NH2 ARG 16 . . A 1 11.66 30.273 9.145 1 48.71 ? NH2 ARG 462 A 1 16 UNP O43236 980 R 
ATOM 133 N N MET 17 . . A 1 14.277 28.82 2.757 1 17.69 ? N MET 463 A 1 17 UNP O43236 981 M 
ATOM 134 C CA MET 17 . . A 1 14.645 28.216 1.487 1 17.05 ? CA MET 463 A 1 17 UNP O43236 981 M 
ATOM 135 C C MET 17 . . A 1 14.981 26.737 1.706 1 16.88 ? C MET 463 A 1 17 UNP O43236 981 M 
ATOM 136 O O MET 17 . . A 1 14.525 25.898 0.905 1 17.62 ? O MET 463 A 1 17 UNP O43236 981 M 
ATOM 137 C CB MET 17 . . A 1 15.829 28.97 0.865 1 17.4 ? CB MET 463 A 1 17 UNP O43236 981 M 
ATOM 138 C CG MET 17 . . A 1 15.44 30.352 0.403 1 19.06 ? CG MET 463 A 1 17 UNP O43236 981 M 
ATOM 139 S SD MET 17 . . A 1 16.859 31.437 0.092 1 23.49 ? SD MET 463 A 1 17 UNP O43236 981 M 
ATOM 140 C CE MET 17 . . A 1 17.24 30.847 -1.437 1 24.08 ? CE MET 463 A 1 17 UNP O43236 981 M 
ATOM 141 N N GLN 18 . . A 1 15.675 26.4 2.802 1 17.53 ? N GLN 464 A 1 18 UNP O43236 982 Q 
ATOM 142 C CA GLN 18 . . A 1 15.97 24.996 3.074 1 17.96 ? CA GLN 464 A 1 18 UNP O43236 982 Q 
ATOM 143 C C GLN 18 . . A 1 14.704 24.216 3.382 1 18.52 ? C GLN 464 A 1 18 UNP O43236 982 Q 
ATOM 144 O O GLN 18 . . A 1 14.572 23.066 2.953 1 19.22 ? O GLN 464 A 1 18 UNP O43236 982 Q 
ATOM 145 C CB GLN 18 . . A 1 16.944 24.887 4.232 1 19.56 ? CB GLN 464 A 1 18 UNP O43236 982 Q 
ATOM 146 C CG GLN 18 . . A 1 18.289 25.409 3.809 1 23.79 ? CG GLN 464 A 1 18 UNP O43236 982 Q 
ATOM 147 C CD GLN 18 . . A 1 19.3 25.441 4.89 1 28.42 ? CD GLN 464 A 1 18 UNP O43236 982 Q 
ATOM 148 O OE1 GLN 18 . . A 1 19.791 24.419 5.359 1 30.7 ? OE1 GLN 464 A 1 18 UNP O43236 982 Q 
ATOM 149 N NE2 GLN 18 . . A 1 19.684 26.642 5.237 1 29.08 ? NE2 GLN 464 A 1 18 UNP O43236 982 Q 
ATOM 150 N N GLU 19 . . A 1 13.731 24.862 4.103 1 17.69 ? N GLU 465 A 1 19 UNP O43236 983 E 
ATOM 151 C CA GLU 19 . . A 1 12.455 24.226 4.436 1 19.14 ? CA GLU 465 A 1 19 UNP O43236 983 E 
ATOM 152 C C GLU 19 . . A 1 11.716 23.852 3.148 1 19.34 ? C GLU 465 A 1 19 UNP O43236 983 E 
ATOM 153 O O GLU 19 . . A 1 11.173 22.755 3.038 1 20.59 ? O GLU 465 A 1 19 UNP O43236 983 E 
ATOM 154 C CB GLU 19 . . A 1 11.61 25.194 5.304 1 22.49 ? CB GLU 465 A 1 19 UNP O43236 983 E 
ATOM 155 C CG GLU 19 . . A 1 10.162 24.768 5.517 1 27.17 ? CG GLU 465 A 1 19 UNP O43236 983 E 
ATOM 156 C CD GLU 19 . . A 1 9.298 25.778 6.259 1 33.59 ? CD GLU 465 A 1 19 UNP O43236 983 E 
ATOM 157 O OE1 GLU 19 . . A 1 9.871 26.678 6.911 1 33.79 ? OE1 GLU 465 A 1 19 UNP O43236 983 E 
ATOM 158 O OE2 GLU 19 . . A 1 8.051 25.657 6.206 1 37.62 ? OE2 GLU 465 A 1 19 UNP O43236 983 E 
ATOM 159 N N MET 20 . . A 1 11.749 24.722 2.159 1 18.47 ? N MET 466 A 1 20 UNP O43236 984 M 
ATOM 160 C CA MET 20 . . A 1 11.117 24.455 0.89 1 17.61 ? CA MET 466 A 1 20 UNP O43236 984 M 
ATOM 161 C C MET 20 . . A 1 11.8 23.292 0.176 1 17.65 ? C MET 466 A 1 20 UNP O43236 984 M 
ATOM 162 O O MET 20 . . A 1 11.124 22.433 -0.338 1 18.42 ? O MET 466 A 1 20 UNP O43236 984 M 
ATOM 163 C CB MET 20 . . A 1 11.177 25.676 -0.017 1 19.38 ? CB MET 466 A 1 20 UNP O43236 984 M 
ATOM 164 C CG MET 20 . . A 1 10.549 25.387 -1.369 1 21.38 ? CG MET 466 A 1 20 UNP O43236 984 M 
ATOM 165 S SD MET 20 . . A 1 10.265 26.848 -2.374 1 28.84 ? SD MET 466 A 1 20 UNP O43236 984 M 
ATOM 166 C CE MET 20 . . A 1 11.894 27.369 -2.47 1 16.87 ? CE MET 466 A 1 20 UNP O43236 984 M 
ATOM 167 N N LEU 21 . . A 1 13.109 23.29 0.141 1 17.14 ? N LEU 467 A 1 21 UNP O43236 985 L 
ATOM 168 C CA LEU 21 . . A 1 13.832 22.179 -0.5 1 17.55 ? CA LEU 467 A 1 21 UNP O43236 985 L 
ATOM 169 C C LEU 21 . . A 1 13.545 20.868 0.198 1 18.05 ? C LEU 467 A 1 21 UNP O43236 985 L 
ATOM 170 O O LEU 21 . . A 1 13.351 19.856 -0.477 1 18.24 ? O LEU 467 A 1 21 UNP O43236 985 L 
ATOM 171 C CB LEU 21 . . A 1 15.32 22.401 -0.562 1 18.77 ? CB LEU 467 A 1 21 UNP O43236 985 L 
ATOM 172 C CG LEU 21 . . A 1 15.758 23.567 -1.445 1 21.11 ? CG LEU 467 A 1 21 UNP O43236 985 L 
ATOM 173 C CD1 LEU 21 . . A 1 17.242 23.656 -1.51 1 23.26 ? CD1 LEU 467 A 1 21 UNP O43236 985 L 
ATOM 174 C CD2 LEU 21 . . A 1 15.107 23.522 -2.857 1 21.36 ? CD2 LEU 467 A 1 21 UNP O43236 985 L 
ATOM 175 N N HIS 22 . . A 1 13.455 20.881 1.539 1 18.63 ? N HIS 468 A 1 22 UNP O43236 986 H 
ATOM 176 C CA HIS 22 . . A 1 13.134 19.646 2.263 1 20.31 ? CA HIS 468 A 1 22 UNP O43236 986 H 
ATOM 177 C C HIS 22 . . A 1 11.751 19.134 1.937 1 21.39 ? C HIS 468 A 1 22 UNP O43236 986 H 
ATOM 178 O O HIS 22 . . A 1 11.544 17.918 1.838 1 22.73 ? O HIS 468 A 1 22 UNP O43236 986 H 
ATOM 179 C CB HIS 22 . . A 1 13.318 19.78 3.78 1 22.42 ? CB HIS 468 A 1 22 UNP O43236 986 H 
ATOM 180 C CG HIS 22 . . A 1 14.676 20.221 4.177 1 24.78 ? CG HIS 468 A 1 22 UNP O43236 986 H 
ATOM 181 N ND1 HIS 22 . . A 1 15.8 19.911 3.429 1 27.01 ? ND1 HIS 468 A 1 22 UNP O43236 986 H 
ATOM 182 C CD2 HIS 22 . . A 1 15.055 20.918 5.266 1 26.2 ? CD2 HIS 468 A 1 22 UNP O43236 986 H 
ATOM 183 C CE1 HIS 22 . . A 1 16.808 20.513 4.058 1 27.22 ? CE1 HIS 468 A 1 22 UNP O43236 986 H 
ATOM 184 N NE2 HIS 22 . . A 1 16.41 21.103 5.164 1 28.76 ? NE2 HIS 468 A 1 22 UNP O43236 986 H 
ATOM 185 N N LYS 23 . . A 1 10.791 20.05 1.76 1 20.29 ? N LYS 469 A 1 23 UNP O43236 987 K 
ATOM 186 C CA LYS 23 . . A 1 9.435 19.661 1.399 1 21.66 ? CA LYS 469 A 1 23 UNP O43236 987 K 
ATOM 187 C C LYS 23 . . A 1 9.413 19.033 -0.004 1 21.76 ? C LYS 469 A 1 23 UNP O43236 987 K 
ATOM 188 O O LYS 23 . . A 1 8.697 18.055 -0.247 1 22.25 ? O LYS 469 A 1 23 UNP O43236 987 K 
ATOM 189 C CB LYS 23 . . A 1 8.506 20.887 1.487 1 24.59 ? CB LYS 469 A 1 23 UNP O43236 987 K 
ATOM 190 C CG LYS 23 . . A 1 7.082 20.611 1.067 1 30.05 ? CG LYS 469 A 1 23 UNP O43236 987 K 
ATOM 191 C CD LYS 23 . . A 1 6.333 19.701 2.041 1 36.49 ? CD LYS 469 A 1 23 UNP O43236 987 K 
ATOM 192 C CE LYS 23 . . A 1 5.451 18.73 1.3 1 42.14 ? CE LYS 469 A 1 23 UNP O43236 987 K 
ATOM 193 N NZ LYS 23 . . A 1 6.214 17.536 0.864 1 43.93 ? NZ LYS 469 A 1 23 UNP O43236 987 K 
ATOM 194 N N ILE 24 . . A 1 10.237 19.557 -0.931 1 20.71 ? N ILE 470 A 1 24 UNP O43236 988 I 
ATOM 195 C CA ILE 24 . . A 1 10.341 18.978 -2.279 1 20.84 ? CA ILE 470 A 1 24 UNP O43236 988 I 
ATOM 196 C C ILE 24 . . A 1 10.961 17.597 -2.186 1 21.66 ? C ILE 470 A 1 24 UNP O43236 988 I 
ATOM 197 O O ILE 24 . . A 1 10.449 16.666 -2.799 1 22.24 ? O ILE 470 A 1 24 UNP O43236 988 I 
ATOM 198 C CB ILE 24 . . A 1 11.17 19.93 -3.168 1 21.53 ? CB ILE 470 A 1 24 UNP O43236 988 I 
ATOM 199 C CG1 ILE 24 . . A 1 10.342 21.174 -3.487 1 21.49 ? CG1 ILE 470 A 1 24 UNP O43236 988 I 
ATOM 200 C CG2 ILE 24 . . A 1 11.607 19.223 -4.475 1 23.12 ? CG2 ILE 470 A 1 24 UNP O43236 988 I 
ATOM 201 C CD1 ILE 24 . . A 1 11.153 22.255 -4.111 1 21.79 ? CD1 ILE 470 A 1 24 UNP O43236 988 I 
ATOM 202 N N GLN 25 . . A 1 11.999 17.429 -1.364 1 21.66 ? N GLN 471 A 1 25 UNP O43236 989 Q 
ATOM 203 C CA GLN 25 . . A 1 12.639 16.126 -1.188 1 22.27 ? CA GLN 471 A 1 25 UNP O43236 989 Q 
ATOM 204 C C GLN 25 . . A 1 11.629 15.096 -0.651 1 23.69 ? C GLN 471 A 1 25 UNP O43236 989 Q 
ATOM 205 O O GLN 25 . . A 1 11.618 13.955 -1.112 1 25.1 ? O GLN 471 A 1 25 UNP O43236 989 Q 
ATOM 206 C CB GLN 25 . . A 1 13.829 16.216 -0.235 1 23.32 ? CB GLN 471 A 1 25 UNP O43236 989 Q 
ATOM 207 C CG GLN 25 . . A 1 14.991 17.002 -0.807 1 23.58 ? CG GLN 471 A 1 25 UNP O43236 989 Q 
ATOM 208 C CD GLN 25 . . A 1 16.094 17.248 0.208 1 28.13 ? CD GLN 471 A 1 25 UNP O43236 989 Q 
ATOM 209 O OE1 GLN 25 . . A 1 15.843 17.563 1.378 1 29.37 ? OE1 GLN 471 A 1 25 UNP O43236 989 Q 
ATOM 210 N NE2 GLN 25 . . A 1 17.335 17.156 -0.22 1 24.73 ? NE2 GLN 471 A 1 25 UNP O43236 989 Q 
ATOM 211 N N LYS 26 . . A 1 10.797 15.504 0.323 1 23.92 ? N LYS 472 A 1 26 UNP O43236 990 K 
ATOM 212 C CA LYS 26 . . A 1 9.796 14.607 0.913 1 25.11 ? CA LYS 472 A 1 26 UNP O43236 990 K 
ATOM 213 C C LYS 26 . . A 1 8.748 14.209 -0.111 1 26.05 ? C LYS 472 A 1 26 UNP O43236 990 K 
ATOM 214 O O LYS 26 . . A 1 8.394 13.032 -0.213 1 27.32 ? O LYS 472 A 1 26 UNP O43236 990 K 
ATOM 215 C CB LYS 26 . . A 1 9.139 15.28 2.13 1 27.98 ? CB LYS 472 A 1 26 UNP O43236 990 K 
ATOM 216 C CG LYS 26 . . A 1 8.083 14.427 2.825 1 34.57 ? CG LYS 472 A 1 26 UNP O43236 990 K 
ATOM 217 C CD LYS 26 . . A 1 7.389 15.216 3.926 1 41.94 ? CD LYS 472 A 1 26 UNP O43236 990 K 
ATOM 218 C CE LYS 26 . . A 1 6.223 14.457 4.51 1 47.92 ? CE LYS 472 A 1 26 UNP O43236 990 K 
ATOM 219 N NZ LYS 26 . . A 1 5.453 15.294 5.469 1 51.57 ? NZ LYS 472 A 1 26 UNP O43236 990 K 
ATOM 220 N N GLN 27 . . A 1 8.3 15.155 -0.93 1 25.84 ? N GLN 473 A 1 27 UNP O43236 991 Q 
ATOM 221 C CA GLN 27 . . A 1 7.313 14.875 -1.965 1 25.41 ? CA GLN 473 A 1 27 UNP O43236 991 Q 
ATOM 222 C C GLN 27 . . A 1 7.907 13.98 -3.062 1 26.12 ? C GLN 473 A 1 27 UNP O43236 991 Q 
ATOM 223 O O GLN 27 . . A 1 7.225 13.074 -3.531 1 27.28 ? O GLN 473 A 1 27 UNP O43236 991 Q 
ATOM 224 C CB GLN 27 . . A 1 6.757 16.195 -2.545 1 27.59 ? CB GLN 473 A 1 27 UNP O43236 991 Q 
ATOM 225 C CG GLN 27 . . A 1 5.61 15.972 -3.539 1 34.81 ? CG GLN 473 A 1 27 UNP O43236 991 Q 
ATOM 226 C CD GLN 27 . . A 1 4.387 15.343 -2.912 1 42.62 ? CD GLN 473 A 1 27 UNP O43236 991 Q 
ATOM 227 O OE1 GLN 27 . . A 1 3.813 15.872 -1.953 1 46.15 ? OE1 GLN 473 A 1 27 UNP O43236 991 Q 
ATOM 228 N NE2 GLN 27 . . A 1 3.945 14.215 -3.458 1 43.46 ? NE2 GLN 473 A 1 27 UNP O43236 991 Q 
ATOM 229 N N MET 28 . . A 1 9.18 14.168 -3.415 1 26.34 ? N MET 474 A 1 28 UNP O43236 992 M 
ATOM 230 C CA MET 28 . . A 1 9.857 13.319 -4.4 1 28.54 ? CA MET 474 A 1 28 UNP O43236 992 M 
ATOM 231 C C MET 28 . . A 1 9.973 11.875 -3.895 1 30.27 ? C MET 474 A 1 28 UNP O43236 992 M 
ATOM 232 O O MET 28 . . A 1 9.779 10.934 -4.663 1 30.96 ? O MET 474 A 1 28 UNP O43236 992 M 
ATOM 233 C CB MET 28 . . A 1 11.234 13.887 -4.744 1 28.85 ? CB MET 474 A 1 28 UNP O43236 992 M 
ATOM 234 C CG MET 28 . . A 1 11.167 15.066 -5.664 1 29.49 ? CG MET 474 A 1 28 UNP O43236 992 M 
ATOM 235 S SD MET 28 . . A 1 12.785 15.786 -5.978 1 31.02 ? SD MET 474 A 1 28 UNP O43236 992 M 
ATOM 236 C CE MET 28 . . A 1 13.496 14.519 -7.002 1 33.86 ? CE MET 474 A 1 28 UNP O43236 992 M 
ATOM 237 N N LYS 29 . . A 1 10.192 11.697 -2.593 1 31.4 ? N LYS 475 A 1 29 UNP O43236 993 K 
ATOM 238 C CA LYS 29 . . A 1 10.256 10.363 -1.99 1 33.82 ? CA LYS 475 A 1 29 UNP O43236 993 K 
ATOM 239 C C LYS 29 . . A 1 8.883 9.726 -1.987 1 35 ? C LYS 475 A 1 29 UNP O43236 993 K 
ATOM 240 O O LYS 29 . . A 1 8.787 8.52 -2.191 1 36.28 ? O LYS 475 A 1 29 UNP O43236 993 K 
ATOM 241 C CB LYS 29 . . A 1 10.789 10.465 -0.553 1 37.91 ? CB LYS 475 A 1 29 UNP O43236 993 K 
ATOM 242 C CG LYS 29 . . A 1 12.288 10.289 -0.458 1 44.77 ? CG LYS 475 A 1 29 UNP O43236 993 K 
ATOM 243 C CD LYS 29 . . A 1 12.681 8.857 -0.756 1 51.54 ? CD LYS 475 A 1 29 UNP O43236 993 K 
ATOM 244 C CE LYS 29 . . A 1 14.175 8.697 -0.723 1 56.72 ? CE LYS 475 A 1 29 UNP O43236 993 K 
ATOM 245 N NZ LYS 29 . . A 1 14.59 7.324 -1.112 1 59.49 ? NZ LYS 475 A 1 29 UNP O43236 993 K 
ATOM 246 N N GLU 30 . . A 1 7.815 10.496 -1.748 1 34.98 ? N GLU 476 A 1 30 UNP O43236 994 E 
ATOM 247 C CA GLU 30 . . A 1 6.456 9.955 -1.796 1 36.44 ? CA GLU 476 A 1 30 UNP O43236 994 E 
ATOM 248 C C GLU 30 . . A 1 6.059 9.608 -3.243 1 37.13 ? C GLU 476 A 1 30 UNP O43236 994 E 
ATOM 249 O O GLU 30 . . A 1 5.34 8.638 -3.462 1 37.34 ? O GLU 476 A 1 30 UNP O43236 994 E 
ATOM 250 C CB GLU 30 . . A 1 5.439 10.912 -1.166 1 38.78 ? CB GLU 476 A 1 30 UNP O43236 994 E 
ATOM 251 C CG GLU 30 . . A 1 5.654 11.123 0.32 1 44.31 ? CG GLU 476 A 1 30 UNP O43236 994 E 
ATOM 252 C CD GLU 30 . . A 1 4.888 12.287 0.917 1 54.59 ? CD GLU 476 A 1 30 UNP O43236 994 E 
ATOM 253 O OE1 GLU 30 . . A 1 4.396 13.139 0.142 1 56.99 ? OE1 GLU 476 A 1 30 UNP O43236 994 E 
ATOM 254 O OE2 GLU 30 . . A 1 4.793 12.355 2.164 1 58.05 ? OE2 GLU 476 A 1 30 UNP O43236 994 E 
ATOM 255 N N ASN 31 . . A 1 6.549 10.37 -4.228 1 37.2 ? N ASN 477 A 1 31 UNP O43236 995 N 
ATOM 256 C CA ASN 31 . . A 1 6.285 10.121 -5.645 1 38.86 ? CA ASN 477 A 1 31 UNP O43236 995 N 
ATOM 257 C C ASN 31 . . A 1 7.006 8.873 -6.149 1 41.1 ? C ASN 477 A 1 31 UNP O43236 995 N 
ATOM 258 O O ASN 31 . . A 1 8.102 8.565 -5.674 1 42.45 ? O ASN 477 A 1 31 UNP O43236 995 N 
ATOM 259 C CB ASN 31 . . A 1 6.701 11.323 -6.485 1 38.67 ? CB ASN 477 A 1 31 UNP O43236 995 N 
ATOM 260 C CG ASN 31 . . A 1 5.848 12.547 -6.254 1 41.06 ? CG ASN 477 A 1 31 UNP O43236 995 N 
ATOM 261 O OD1 ASN 31 . . A 1 4.787 12.485 -5.621 1 42.84 ? OD1 ASN 477 A 1 31 UNP O43236 995 N 
ATOM 262 N ND2 ASN 31 . . A 1 6.301 13.698 -6.749 1 39.44 ? ND2 ASN 477 A 1 31 UNP O43236 995 N 
HETATM 263 N N NH2 32 . . A 1 6.567 8.367 -7.302 1 41.32 ? N NH2 478 A 1 32 ? ? ? ? 
HETATM 264 C C ACE 1 . . B 1 20.126 11.794 -9.286 1 34.62 ? C ACE 447 B 1 1 ? ? ? ? 
HETATM 265 O O ACE 1 . . B 1 20.51 12.394 -8.282 1 35.27 ? O ACE 447 B 1 1 ? ? ? ? 
HETATM 266 C CH3 ACE 1 . . B 1 19.496 10.39 -9.185 1 35.12 ? CH3 ACE 447 B 1 1 ? ? ? ? 
ATOM 267 N N GLU 2 . . B 1 20.236 12.287 -10.516 1 34.45 ? N GLU 448 B 1 2 UNP O43236 966 E 
ATOM 268 C CA GLU 2 . . B 1 20.8 13.6 -10.791 1 33.76 ? CA GLU 448 B 1 2 UNP O43236 966 E 
ATOM 269 C C GLU 2 . . B 1 20.044 14.742 -10.106 1 31.82 ? C GLU 448 B 1 2 UNP O43236 966 E 
ATOM 270 O O GLU 2 . . B 1 20.682 15.589 -9.489 1 31.06 ? O GLU 448 B 1 2 UNP O43236 966 E 
ATOM 271 C CB GLU 2 . . B 1 20.876 13.842 -12.303 1 37.19 ? CB GLU 448 B 1 2 UNP O43236 966 E 
ATOM 272 N N THR 3 . . B 1 18.702 14.739 -10.161 1 30.92 ? N THR 449 B 1 3 UNP O43236 967 T 
ATOM 273 C CA THR 3 . . B 1 17.923 15.812 -9.512 1 30.2 ? CA THR 449 B 1 3 UNP O43236 967 T 
ATOM 274 C C THR 3 . . B 1 18.007 15.752 -7.99 1 27.56 ? C THR 449 B 1 3 UNP O43236 967 T 
ATOM 275 O O THR 3 . . B 1 18.135 16.781 -7.333 1 25.79 ? O THR 449 B 1 3 UNP O43236 967 T 
ATOM 276 C CB THR 3 . . B 1 16.477 15.831 -9.977 1 33.28 ? CB THR 449 B 1 3 UNP O43236 967 T 
ATOM 277 O OG1 THR 3 . . B 1 16.457 15.929 -11.403 1 35.96 ? OG1 THR 449 B 1 3 UNP O43236 967 T 
ATOM 278 C CG2 THR 3 . . B 1 15.679 16.975 -9.358 1 34.08 ? CG2 THR 449 B 1 3 UNP O43236 967 T 
ATOM 279 N N GLU 4 . . B 1 18.011 14.547 -7.422 1 26.85 ? N GLU 450 B 1 4 UNP O43236 968 E 
ATOM 280 C CA GLU 4 . . B 1 18.161 14.382 -5.967 1 26.57 ? CA GLU 450 B 1 4 UNP O43236 968 E 
ATOM 281 C C GLU 4 . . B 1 19.51 14.96 -5.511 1 25.27 ? C GLU 450 B 1 4 UNP O43236 968 E 
ATOM 282 O O GLU 4 . . B 1 19.589 15.674 -4.509 1 24.53 ? O GLU 450 B 1 4 UNP O43236 968 E 
ATOM 283 C CB GLU 4 . . B 1 18.087 12.895 -5.602 1 29.06 ? CB GLU 450 B 1 4 UNP O43236 968 E 
ATOM 284 C CG GLU 4 . . B 1 16.684 12.326 -5.588 1 32.14 ? CG GLU 450 B 1 4 UNP O43236 968 E 
ATOM 285 C CD GLU 4 . . B 1 16.117 11.854 -6.912 1 39.15 ? CD GLU 450 B 1 4 UNP O43236 968 E 
ATOM 286 O OE1 GLU 4 . . B 1 16.737 12.097 -7.976 1 38.62 ? OE1 GLU 450 B 1 4 UNP O43236 968 E 
ATOM 287 O OE2 GLU 4 . . B 1 15.032 11.23 -6.877 1 42.08 ? OE2 GLU 450 B 1 4 UNP O43236 968 E 
ATOM 288 N N LYS 5 . . B 1 20.569 14.673 -6.277 1 25.4 ? N LYS 451 B 1 5 UNP O43236 969 K 
ATOM 289 C CA LYS 5 . . B 1 21.899 15.201 -5.967 1 25.94 ? CA LYS 451 B 1 5 UNP O43236 969 K 
ATOM 290 C C LYS 5 . . B 1 21.917 16.718 -6.095 1 25.84 ? C LYS 451 B 1 5 UNP O43236 969 K 
ATOM 291 O O LYS 5 . . B 1 22.461 17.401 -5.231 1 25.61 ? O LYS 451 B 1 5 UNP O43236 969 K 
ATOM 292 C CB LYS 5 . . B 1 22.94 14.563 -6.894 1 29.25 ? CB LYS 451 B 1 5 UNP O43236 969 K 
ATOM 293 C CG LYS 5 . . B 1 24.354 15.07 -6.652 1 35.03 ? CG LYS 451 B 1 5 UNP O43236 969 K 
ATOM 294 C CD LYS 5 . . B 1 25.386 14.105 -7.212 1 40.37 ? CD LYS 451 B 1 5 UNP O43236 969 K 
ATOM 295 C CE LYS 5 . . B 1 26.803 14.481 -6.849 1 46.13 ? CE LYS 451 B 1 5 UNP O43236 969 K 
ATOM 296 N NZ LYS 5 . . B 1 27.785 13.581 -7.504 1 50.32 ? NZ LYS 451 B 1 5 UNP O43236 969 K 
ATOM 297 N N LEU 6 . . B 1 21.274 17.247 -7.137 1 25.09 ? N LEU 452 B 1 6 UNP O43236 970 L 
ATOM 298 C CA LEU 6 . . B 1 21.171 18.692 -7.355 1 24.76 ? CA LEU 452 B 1 6 UNP O43236 970 L 
ATOM 299 C C LEU 6 . . B 1 20.493 19.417 -6.163 1 22.05 ? C LEU 452 B 1 6 UNP O43236 970 L 
ATOM 300 O O LEU 6 . . B 1 20.981 20.456 -5.7 1 21.96 ? O LEU 452 B 1 6 UNP O43236 970 L 
ATOM 301 C CB LEU 6 . . B 1 20.398 18.941 -8.669 1 27.58 ? CB LEU 452 B 1 6 UNP O43236 970 L 
ATOM 302 C CG LEU 6 . . B 1 19.99 20.389 -8.97 1 31.38 ? CG LEU 452 B 1 6 UNP O43236 970 L 
ATOM 303 C CD1 LEU 6 . . B 1 21.214 21.287 -9.097 1 33.34 ? CD1 LEU 452 B 1 6 UNP O43236 970 L 
ATOM 304 C CD2 LEU 6 . . B 1 19.127 20.443 -10.232 1 33.01 ? CD2 LEU 452 B 1 6 UNP O43236 970 L 
ATOM 305 N N ILE 7 . . B 1 19.415 18.843 -5.637 1 21.49 ? N ILE 453 B 1 7 UNP O43236 971 I 
ATOM 306 C CA ILE 7 . . B 1 18.692 19.466 -4.525 1 21.36 ? CA ILE 453 B 1 7 UNP O43236 971 I 
ATOM 307 C C ILE 7 . . B 1 19.537 19.423 -3.251 1 20.46 ? C ILE 453 B 1 7 UNP O43236 971 I 
ATOM 308 O O ILE 7 . . B 1 19.622 20.419 -2.508 1 19.89 ? O ILE 453 B 1 7 UNP O43236 971 I 
ATOM 309 C CB ILE 7 . . B 1 17.281 18.86 -4.371 1 22.45 ? CB ILE 453 B 1 7 UNP O43236 971 I 
ATOM 310 C CG1 ILE 7 . . B 1 16.431 19.219 -5.585 1 24.4 ? CG1 ILE 453 B 1 7 UNP O43236 971 I 
ATOM 311 C CG2 ILE 7 . . B 1 16.605 19.387 -3.104 1 22.22 ? CG2 ILE 453 B 1 7 UNP O43236 971 I 
ATOM 312 C CD1 ILE 7 . . B 1 15.137 18.476 -5.661 1 27.55 ? CD1 ILE 453 B 1 7 UNP O43236 971 I 
ATOM 313 N N ARG 8 . . B 1 20.249 18.304 -3.023 1 21.34 ? N ARG 454 B 1 8 UNP O43236 972 R 
ATOM 314 C CA ARG 8 . . B 1 21.172 18.215 -1.882 1 21.04 ? CA ARG 454 B 1 8 UNP O43236 972 R 
ATOM 315 C C ARG 8 . . B 1 22.275 19.26 -2.012 1 21.47 ? C ARG 454 B 1 8 UNP O43236 972 R 
ATOM 316 O O ARG 8 . . B 1 22.667 19.878 -1.011 1 22.1 ? O ARG 454 B 1 8 UNP O43236 972 R 
ATOM 317 C CB ARG 8 . . B 1 21.811 16.813 -1.782 1 22.07 ? CB ARG 454 B 1 8 UNP O43236 972 R 
ATOM 318 C CG ARG 8 . . B 1 20.84 15.764 -1.269 1 24.62 ? CG ARG 454 B 1 8 UNP O43236 972 R 
ATOM 319 C CD ARG 8 . . B 1 21.573 14.526 -0.757 1 26.43 ? CD ARG 454 B 1 8 UNP O43236 972 R 
ATOM 320 N NE ARG 8 . . B 1 22.276 13.848 -1.844 1 29.73 ? NE ARG 454 B 1 8 UNP O43236 972 R 
ATOM 321 C CZ ARG 8 . . B 1 21.724 12.941 -2.643 1 30.76 ? CZ ARG 454 B 1 8 UNP O43236 972 R 
ATOM 322 N NH1 ARG 8 . . B 1 20.474 12.543 -2.442 1 31.58 ? NH1 ARG 454 B 1 8 UNP O43236 972 R 
ATOM 323 N NH2 ARG 8 . . B 1 22.433 12.39 -3.621 1 32.23 ? NH2 ARG 454 B 1 8 UNP O43236 972 R 
ATOM 324 N N GLU 9 . . B 1 22.777 19.485 -3.231 1 21.11 ? N GLU 455 B 1 9 UNP O43236 973 E 
ATOM 325 C CA GLU 9 . . B 1 23.815 20.475 -3.487 1 21.75 ? CA GLU 455 B 1 9 UNP O43236 973 E 
ATOM 326 C C GLU 9 . . B 1 23.284 21.87 -3.137 1 20.59 ? C GLU 455 B 1 9 UNP O43236 973 E 
ATOM 327 O O GLU 9 . . B 1 24.025 22.665 -2.568 1 20.29 ? O GLU 455 B 1 9 UNP O43236 973 E 
ATOM 328 C CB GLU 9 . . B 1 24.239 20.436 -4.961 1 25.4 ? CB GLU 455 B 1 9 UNP O43236 973 E 
ATOM 329 N N LYS 10 . . B 1 22.038 22.199 -3.51 1 19.96 ? N LYS 456 B 1 10 UNP O43236 974 K 
ATOM 330 C CA LYS 10 . . B 1 21.462 23.505 -3.179 1 19.63 ? CA LYS 456 B 1 10 UNP O43236 974 K 
ATOM 331 C C LYS 10 . . B 1 21.339 23.667 -1.671 1 19.11 ? C LYS 456 B 1 10 UNP O43236 974 K 
ATOM 332 O O LYS 10 . . B 1 21.629 24.746 -1.136 1 18.54 ? O LYS 456 B 1 10 UNP O43236 974 K 
ATOM 333 C CB LYS 10 . . B 1 20.133 23.741 -3.906 1 21.83 ? CB LYS 456 B 1 10 UNP O43236 974 K 
ATOM 334 C CG LYS 10 . . B 1 20.276 23.768 -5.423 1 27.14 ? CG LYS 456 B 1 10 UNP O43236 974 K 
ATOM 335 C CD LYS 10 . . B 1 21.157 24.927 -5.901 1 33.09 ? CD LYS 456 B 1 10 UNP O43236 974 K 
ATOM 336 C CE LYS 10 . . B 1 21.371 24.902 -7.4 1 39.44 ? CE LYS 456 B 1 10 UNP O43236 974 K 
ATOM 337 N NZ LYS 10 . . B 1 22.441 25.853 -7.814 1 43.7 ? NZ LYS 456 B 1 10 UNP O43236 974 K 
ATOM 338 N N ASP 11 . . B 1 20.955 22.607 -0.962 1 18.88 ? N ASP 457 B 1 11 UNP O43236 975 D 
ATOM 339 C CA ASP 11 A . B 1 20.863 22.68 0.503 0.5 19.78 ? CA ASP 457 B 1 11 UNP O43236 975 D 
ATOM 340 C CA ASP 11 B . B 1 20.844 22.673 0.483 0.5 20.05 ? CA ASP 457 B 1 11 UNP O43236 975 D 
ATOM 341 C C ASP 11 . . B 1 22.226 22.933 1.115 1 20.43 ? C ASP 457 B 1 11 UNP O43236 975 D 
ATOM 342 O O ASP 11 . . B 1 22.34 23.738 2.047 1 20.45 ? O ASP 457 B 1 11 UNP O43236 975 D 
ATOM 343 C CB ASP 11 A . B 1 20.257 21.413 1.102 0.5 20.39 ? CB ASP 457 B 1 11 UNP O43236 975 D 
ATOM 344 C CB ASP 11 B . B 1 20.209 21.381 0.986 0.5 21.51 ? CB ASP 457 B 1 11 UNP O43236 975 D 
ATOM 345 C CG ASP 11 A . B 1 18.762 21.44 1.195 0.5 23.1 ? CG ASP 457 B 1 11 UNP O43236 975 D 
ATOM 346 C CG ASP 11 B . B 1 19.461 21.496 2.281 0.5 25.85 ? CG ASP 457 B 1 11 UNP O43236 975 D 
ATOM 347 O OD1 ASP 11 A . B 1 18.2 22.543 1.329 0.5 24.21 ? OD1 ASP 457 B 1 11 UNP O43236 975 D 
ATOM 348 O OD1 ASP 11 B . B 1 19.212 22.63 2.725 0.5 26.68 ? OD1 ASP 457 B 1 11 UNP O43236 975 D 
ATOM 349 O OD2 ASP 11 A . B 1 18.142 20.346 1.139 0.5 23.53 -1 OD2 ASP 457 B 1 11 UNP O43236 975 D 
ATOM 350 O OD2 ASP 11 B . B 1 19.135 20.448 2.868 0.5 27.19 -1 OD2 ASP 457 B 1 11 UNP O43236 975 D 
ATOM 351 N N GLU 12 . . B 1 23.295 22.276 0.594 1 20.83 ? N GLU 458 B 1 12 UNP O43236 976 E 
ATOM 352 C CA GLU 12 . . B 1 24.655 22.492 1.072 1 22.11 ? CA GLU 458 B 1 12 UNP O43236 976 E 
ATOM 353 C C GLU 12 . . B 1 25.058 23.944 0.845 1 21.7 ? C GLU 458 B 1 12 UNP O43236 976 E 
ATOM 354 O O GLU 12 . . B 1 25.659 24.562 1.724 1 21.83 ? O GLU 458 B 1 12 UNP O43236 976 E 
ATOM 355 C CB GLU 12 . . B 1 25.645 21.579 0.328 1 24.93 ? CB GLU 458 B 1 12 UNP O43236 976 E 
ATOM 356 C CG GLU 12 . . B 1 26.966 21.461 1.068 1 33.66 ? CG GLU 458 B 1 12 UNP O43236 976 E 
ATOM 357 C CD GLU 12 . . B 1 28.065 22.402 0.622 1 40.99 ? CD GLU 458 B 1 12 UNP O43236 976 E 
ATOM 358 O OE1 GLU 12 . . B 1 27.935 23 -0.472 1 42.61 ? OE1 GLU 458 B 1 12 UNP O43236 976 E 
ATOM 359 O OE2 GLU 12 . . B 1 29.061 22.537 1.369 1 41 ? OE2 GLU 458 B 1 12 UNP O43236 976 E 
ATOM 360 N N GLU 13 . . B 1 24.68 24.521 -0.3 1 20.38 ? N GLU 459 B 1 13 UNP O43236 977 E 
ATOM 361 C CA GLU 13 . . B 1 24.995 25.92 -0.602 1 19.85 ? CA GLU 459 B 1 13 UNP O43236 977 E 
ATOM 362 C C GLU 13 . . B 1 24.33 26.845 0.419 1 19.55 ? C GLU 459 B 1 13 UNP O43236 977 E 
ATOM 363 O O GLU 13 . . B 1 24.974 27.771 0.943 1 19.36 ? O GLU 459 B 1 13 UNP O43236 977 E 
ATOM 364 C CB GLU 13 . . B 1 24.446 26.237 -1.991 1 22.13 ? CB GLU 459 B 1 13 UNP O43236 977 E 
ATOM 365 C CG GLU 13 . . B 1 24.611 27.662 -2.465 1 28.5 ? CG GLU 459 B 1 13 UNP O43236 977 E 
ATOM 366 C CD GLU 13 . . B 1 24.026 27.784 -3.854 1 39.4 ? CD GLU 459 B 1 13 UNP O43236 977 E 
ATOM 367 O OE1 GLU 13 . . B 1 24.325 26.908 -4.694 1 41.22 ? OE1 GLU 459 B 1 13 UNP O43236 977 E 
ATOM 368 O OE2 GLU 13 . . B 1 23.226 28.716 -4.085 1 46.24 ? OE2 GLU 459 B 1 13 UNP O43236 977 E 
ATOM 369 N N LEU 14 . . B 1 23.084 26.553 0.772 1 18.13 ? N LEU 460 B 1 14 UNP O43236 978 L 
ATOM 370 C CA LEU 14 . . B 1 22.342 27.376 1.721 1 18.27 ? CA LEU 460 B 1 14 UNP O43236 978 L 
ATOM 371 C C LEU 14 . . B 1 22.99 27.272 3.098 1 18.32 ? C LEU 460 B 1 14 UNP O43236 978 L 
ATOM 372 O O LEU 14 . . B 1 23.133 28.288 3.796 1 17.85 ? O LEU 460 B 1 14 UNP O43236 978 L 
ATOM 373 C CB LEU 14 . . B 1 20.879 26.954 1.749 1 18.58 ? CB LEU 460 B 1 14 UNP O43236 978 L 
ATOM 374 C CG LEU 14 . . B 1 20.115 27.225 0.442 1 19.37 ? CG LEU 460 B 1 14 UNP O43236 978 L 
ATOM 375 C CD1 LEU 14 . . B 1 18.767 26.546 0.465 1 21.21 ? CD1 LEU 460 B 1 14 UNP O43236 978 L 
ATOM 376 C CD2 LEU 14 . . B 1 19.985 28.732 0.165 1 20.91 ? CD2 LEU 460 B 1 14 UNP O43236 978 L 
ATOM 377 N N ARG 15 . . B 1 23.444 26.072 3.495 1 18.8 ? N ARG 461 B 1 15 UNP O43236 979 R 
ATOM 378 C CA ARG 15 . . B 1 24.162 25.942 4.762 1 19.68 ? CA ARG 461 B 1 15 UNP O43236 979 R 
ATOM 379 C C ARG 15 . . B 1 25.476 26.717 4.731 1 19.58 ? C ARG 461 B 1 15 UNP O43236 979 R 
ATOM 380 O O ARG 15 . . B 1 25.838 27.289 5.77 1 20.62 ? O ARG 461 B 1 15 UNP O43236 979 R 
ATOM 381 C CB ARG 15 . . B 1 24.417 24.463 5.09 1 21.15 ? CB ARG 461 B 1 15 UNP O43236 979 R 
ATOM 382 C CG ARG 15 . . B 1 23.145 23.689 5.381 1 23.76 ? CG ARG 461 B 1 15 UNP O43236 979 R 
ATOM 383 C CD ARG 15 . . B 1 23.405 22.325 5.981 1 27.45 ? CD ARG 461 B 1 15 UNP O43236 979 R 
ATOM 384 N NE ARG 15 . . B 1 24.146 21.441 5.077 1 28.31 ? NE ARG 461 B 1 15 UNP O43236 979 R 
ATOM 385 C CZ ARG 15 . . B 1 23.575 20.628 4.197 1 29.54 ? CZ ARG 461 B 1 15 UNP O43236 979 R 
ATOM 386 N NH1 ARG 15 . . B 1 22.257 20.596 4.071 1 27.75 ? NH1 ARG 461 B 1 15 UNP O43236 979 R 
ATOM 387 N NH2 ARG 15 . . B 1 24.32 19.84 3.437 1 32.33 ? NH2 ARG 461 B 1 15 UNP O43236 979 R 
ATOM 388 N N ARG 16 . . B 1 26.225 26.735 3.611 1 19.63 ? N ARG 462 B 1 16 UNP O43236 980 R 
ATOM 389 C CA ARG 16 . . B 1 27.475 27.5 3.56 1 19.83 ? CA ARG 462 B 1 16 UNP O43236 980 R 
ATOM 390 C C ARG 16 . . B 1 27.172 28.998 3.64 1 18.92 ? C ARG 462 B 1 16 UNP O43236 980 R 
ATOM 391 O O ARG 16 . . B 1 27.962 29.733 4.222 1 18.91 ? O ARG 462 B 1 16 UNP O43236 980 R 
ATOM 392 C CB ARG 16 . . B 1 28.294 27.205 2.294 1 23.35 ? CB ARG 462 B 1 16 UNP O43236 980 R 
ATOM 393 C CG ARG 16 . . B 1 28.748 25.763 2.119 1 27.84 ? CG ARG 462 B 1 16 UNP O43236 980 R 
ATOM 394 C CD ARG 16 . . B 1 29.897 25.323 3.017 1 31.19 ? CD ARG 462 B 1 16 UNP O43236 980 R 
ATOM 395 N NE ARG 16 . . B 1 29.504 25.253 4.419 1 33.36 ? NE ARG 462 B 1 16 UNP O43236 980 R 
ATOM 396 C CZ ARG 16 . . B 1 28.806 24.263 4.966 1 37.74 ? CZ ARG 462 B 1 16 UNP O43236 980 R 
ATOM 397 N NH1 ARG 16 . . B 1 28.431 23.221 4.234 1 36.92 ? NH1 ARG 462 B 1 16 UNP O43236 980 R 
ATOM 398 N NH2 ARG 16 . . B 1 28.488 24.303 6.253 1 39.88 ? NH2 ARG 462 B 1 16 UNP O43236 980 R 
ATOM 399 N N MET 17 . . B 1 26.054 29.454 3.059 1 17.68 ? N MET 463 B 1 17 UNP O43236 981 M 
ATOM 400 C CA MET 17 . . B 1 25.668 30.85 3.156 1 17.92 ? CA MET 463 B 1 17 UNP O43236 981 M 
ATOM 401 C C MET 17 . . B 1 25.33 31.206 4.613 1 18.44 ? C MET 463 B 1 17 UNP O43236 981 M 
ATOM 402 O O MET 17 . . B 1 25.768 32.262 5.113 1 18.62 ? O MET 463 B 1 17 UNP O43236 981 M 
ATOM 403 C CB MET 17 . . B 1 24.483 31.092 2.23 1 18.83 ? CB MET 463 B 1 17 UNP O43236 981 M 
ATOM 404 C CG MET 17 . . B 1 24.894 31.071 0.769 1 19.23 ? CG MET 463 B 1 17 UNP O43236 981 M 
ATOM 405 S SD MET 17 . . B 1 23.49 30.911 -0.352 1 21.68 ? SD MET 463 B 1 17 UNP O43236 981 M 
ATOM 406 C CE MET 17 . . B 1 22.996 32.538 -0.367 1 25.71 ? CE MET 463 B 1 17 UNP O43236 981 M 
ATOM 407 N N GLN 18 . . B 1 24.674 30.299 5.337 1 18.7 ? N GLN 464 B 1 18 UNP O43236 982 Q 
ATOM 408 C CA GLN 18 . . B 1 24.379 30.539 6.743 1 19.22 ? CA GLN 464 B 1 18 UNP O43236 982 Q 
ATOM 409 C C GLN 18 . . B 1 25.649 30.595 7.574 1 19.81 ? C GLN 464 B 1 18 UNP O43236 982 Q 
ATOM 410 O O GLN 18 . . B 1 25.764 31.45 8.454 1 20.26 ? O GLN 464 B 1 18 UNP O43236 982 Q 
ATOM 411 C CB GLN 18 . . B 1 23.471 29.455 7.277 1 21.39 ? CB GLN 464 B 1 18 UNP O43236 982 Q 
ATOM 412 C CG GLN 18 . . B 1 22.09 29.553 6.718 1 23.84 ? CG GLN 464 B 1 18 UNP O43236 982 Q 
ATOM 413 C CD GLN 18 . . B 1 21.3 28.443 7.317 1 29.67 ? CD GLN 464 B 1 18 UNP O43236 982 Q 
ATOM 414 O OE1 GLN 18 . . B 1 21.658 27.259 7.215 1 33.66 ? OE1 GLN 464 B 1 18 UNP O43236 982 Q 
ATOM 415 N NE2 GLN 18 . . B 1 20.238 28.803 7.986 1 28.79 ? NE2 GLN 464 B 1 18 UNP O43236 982 Q 
ATOM 416 N N GLU 19 . . B 1 26.634 29.703 7.261 1 19.91 ? N GLU 465 B 1 19 UNP O43236 983 E 
ATOM 417 C CA GLU 19 . . B 1 27.908 29.674 7.976 1 20.58 ? CA GLU 465 B 1 19 UNP O43236 983 E 
ATOM 418 C C GLU 19 . . B 1 28.609 31.029 7.821 1 20.62 ? C GLU 465 B 1 19 UNP O43236 983 E 
ATOM 419 O O GLU 19 . . B 1 29.118 31.589 8.785 1 21.64 ? O GLU 465 B 1 19 UNP O43236 983 E 
ATOM 420 C CB GLU 19 . . B 1 28.766 28.514 7.408 1 23.03 ? CB GLU 465 B 1 19 UNP O43236 983 E 
ATOM 421 C CG GLU 19 . . B 1 30.193 28.476 7.937 1 27.83 ? CG GLU 465 B 1 19 UNP O43236 983 E 
ATOM 422 C CD GLU 19 . . B 1 31.066 27.418 7.283 1 34 ? CD GLU 465 B 1 19 UNP O43236 983 E 
ATOM 423 O OE1 GLU 19 . . B 1 30.511 26.468 6.688 1 36.47 ? OE1 GLU 465 B 1 19 UNP O43236 983 E 
ATOM 424 O OE2 GLU 19 . . B 1 32.308 27.53 7.377 1 39.3 ? OE2 GLU 465 B 1 19 UNP O43236 983 E 
ATOM 425 N N MET 20 . . B 1 28.565 31.583 6.612 1 19.58 ? N MET 466 B 1 20 UNP O43236 984 M 
ATOM 426 C CA MET 20 A . B 1 29.163 32.885 6.358 0.67 18.78 ? CA MET 466 B 1 20 UNP O43236 984 M 
ATOM 427 C CA MET 20 B . B 1 29.16 32.888 6.341 0.33 19.19 ? CA MET 466 B 1 20 UNP O43236 984 M 
ATOM 428 C C MET 20 . . B 1 28.461 33.978 7.162 1 19.25 ? C MET 466 B 1 20 UNP O43236 984 M 
ATOM 429 O O MET 20 . . B 1 29.143 34.81 7.77 1 19.35 ? O MET 466 B 1 20 UNP O43236 984 M 
ATOM 430 C CB MET 20 A . B 1 29.056 33.183 4.867 0.67 18.14 ? CB MET 466 B 1 20 UNP O43236 984 M 
ATOM 431 C CB MET 20 B . B 1 29.079 33.181 4.832 0.33 19.19 ? CB MET 466 B 1 20 UNP O43236 984 M 
ATOM 432 C CG MET 20 A . B 1 29.578 34.546 4.508 0.67 19.92 ? CG MET 466 B 1 20 UNP O43236 984 M 
ATOM 433 C CG MET 20 B . B 1 29.464 34.601 4.443 0.33 20.84 ? CG MET 466 B 1 20 UNP O43236 984 M 
ATOM 434 S SD MET 20 A . B 1 29.488 34.903 2.755 0.67 24.58 ? SD MET 466 B 1 20 UNP O43236 984 M 
ATOM 435 S SD MET 20 B . B 1 31.153 35.087 4.881 0.33 23.67 ? SD MET 466 B 1 20 UNP O43236 984 M 
ATOM 436 C CE MET 20 A . B 1 27.915 34.977 2.52 0.67 20.15 ? CE MET 466 B 1 20 UNP O43236 984 M 
ATOM 437 C CE MET 20 B . B 1 32.072 34.349 3.522 0.33 22.4 ? CE MET 466 B 1 20 UNP O43236 984 M 
ATOM 438 N N LEU 21 . . B 1 27.125 33.983 7.193 1 19.13 ? N LEU 467 B 1 21 UNP O43236 985 L 
ATOM 439 C CA LEU 21 . . B 1 26.412 35 7.98 1 20.01 ? CA LEU 467 B 1 21 UNP O43236 985 L 
ATOM 440 C C LEU 21 . . B 1 26.739 34.876 9.46 1 21.24 ? C LEU 467 B 1 21 UNP O43236 985 L 
ATOM 441 O O LEU 21 . . B 1 26.91 35.893 10.145 1 21.42 ? O LEU 467 B 1 21 UNP O43236 985 L 
ATOM 442 C CB LEU 21 . . B 1 24.914 34.893 7.806 1 20.8 ? CB LEU 467 B 1 21 UNP O43236 985 L 
ATOM 443 C CG LEU 21 . . B 1 24.374 35.184 6.427 1 22.34 ? CG LEU 467 B 1 21 UNP O43236 985 L 
ATOM 444 C CD1 LEU 21 . . B 1 22.861 35.088 6.451 1 25.08 ? CD1 LEU 467 B 1 21 UNP O43236 985 L 
ATOM 445 C CD2 LEU 21 . . B 1 24.919 36.526 5.841 1 21.96 ? CD2 LEU 467 B 1 21 UNP O43236 985 L 
ATOM 446 N N HIS 22 . . B 1 26.866 33.628 9.946 1 22.3 ? N HIS 468 B 1 22 UNP O43236 986 H 
ATOM 447 C CA HIS 22 . . B 1 27.192 33.44 11.374 1 24.26 ? CA HIS 468 B 1 22 UNP O43236 986 H 
ATOM 448 C C HIS 22 . . B 1 28.59 33.966 11.709 1 24.78 ? C HIS 468 B 1 22 UNP O43236 986 H 
ATOM 449 O O HIS 22 . . B 1 28.799 34.564 12.77 1 26.24 ? O HIS 468 B 1 22 UNP O43236 986 H 
ATOM 450 C CB HIS 22 . . B 1 26.978 31.988 11.811 1 26.81 ? CB HIS 468 B 1 22 UNP O43236 986 H 
ATOM 451 C CG HIS 22 . . B 1 25.568 31.521 11.629 1 31.18 ? CG HIS 468 B 1 22 UNP O43236 986 H 
ATOM 452 N ND1 HIS 22 . . B 1 25.274 30.181 11.445 1 35 ? ND1 HIS 468 B 1 22 UNP O43236 986 H 
ATOM 453 C CD2 HIS 22 . . B 1 24.409 32.222 11.638 1 32.62 ? CD2 HIS 468 B 1 22 UNP O43236 986 H 
ATOM 454 C CE1 HIS 22 . . B 1 23.96 30.117 11.297 1 36.09 ? CE1 HIS 468 B 1 22 UNP O43236 986 H 
ATOM 455 N NE2 HIS 22 . . B 1 23.395 31.316 11.417 1 34.81 ? NE2 HIS 468 B 1 22 UNP O43236 986 H 
ATOM 456 N N LYS 23 . . B 1 29.528 33.8 10.768 1 24.19 ? N LYS 469 B 1 23 UNP O43236 987 K 
ATOM 457 C CA LYS 23 . . B 1 30.88 34.316 10.952 1 24.7 ? CA LYS 469 B 1 23 UNP O43236 987 K 
ATOM 458 C C LYS 23 . . B 1 30.867 35.844 10.999 1 24.38 ? C LYS 469 B 1 23 UNP O43236 987 K 
ATOM 459 O O LYS 23 . . B 1 31.562 36.454 11.816 1 25.54 ? O LYS 469 B 1 23 UNP O43236 987 K 
ATOM 460 C CB LYS 23 . . B 1 31.787 33.809 9.82 1 27.18 ? CB LYS 469 B 1 23 UNP O43236 987 K 
ATOM 461 C CG LYS 23 . . B 1 33.194 34.382 9.845 1 34.07 ? CG LYS 469 B 1 23 UNP O43236 987 K 
ATOM 462 C CD LYS 23 . . B 1 34.01 33.827 11.004 1 39.91 ? CD LYS 469 B 1 23 UNP O43236 987 K 
ATOM 463 C CE LYS 23 . . B 1 35.428 34.335 10.967 1 43.75 ? CE LYS 469 B 1 23 UNP O43236 987 K 
ATOM 464 N NZ LYS 23 . . B 1 35.492 35.757 10.539 1 46.86 ? NZ LYS 469 B 1 23 UNP O43236 987 K 
ATOM 465 N N ILE 24 . . B 1 30.035 36.47 10.144 1 23.25 ? N ILE 470 B 1 24 UNP O43236 988 I 
ATOM 466 C CA ILE 24 . . B 1 29.918 37.935 10.157 1 23.39 ? CA ILE 470 B 1 24 UNP O43236 988 I 
ATOM 467 C C ILE 24 . . B 1 29.3 38.393 11.475 1 24.8 ? C ILE 470 B 1 24 UNP O43236 988 I 
ATOM 468 O O ILE 24 . . B 1 29.784 39.356 12.071 1 25.63 ? O ILE 470 B 1 24 UNP O43236 988 I 
ATOM 469 C CB ILE 24 . . B 1 29.096 38.404 8.942 1 23.06 ? CB ILE 470 B 1 24 UNP O43236 988 I 
ATOM 470 C CG1 ILE 24 . . B 1 29.946 38.239 7.682 1 22.5 ? CG1 ILE 470 B 1 24 UNP O43236 988 I 
ATOM 471 C CG2 ILE 24 . . B 1 28.654 39.877 9.118 1 23.9 ? CG2 ILE 470 B 1 24 UNP O43236 988 I 
ATOM 472 C CD1 ILE 24 . . B 1 29.114 38.301 6.406 1 22.98 ? CD1 ILE 470 B 1 24 UNP O43236 988 I 
ATOM 473 N N GLN 25 . . B 1 28.261 37.696 11.951 1 25.8 ? N GLN 471 B 1 25 UNP O43236 989 Q 
ATOM 474 C CA GLN 25 . . B 1 27.595 38.017 13.211 1 28.22 ? CA GLN 471 B 1 25 UNP O43236 989 Q 
ATOM 475 C C GLN 25 . . B 1 28.587 37.946 14.358 1 31 ? C GLN 471 B 1 25 UNP O43236 989 Q 
ATOM 476 O O GLN 25 . . B 1 28.597 38.828 15.228 1 31.82 ? O GLN 471 B 1 25 UNP O43236 989 Q 
ATOM 477 C CB GLN 25 . . B 1 26.43 37.049 13.457 1 30.01 ? CB GLN 471 B 1 25 UNP O43236 989 Q 
ATOM 478 C CG GLN 25 . . B 1 25.255 37.32 12.546 1 32.25 ? CG GLN 471 B 1 25 UNP O43236 989 Q 
ATOM 479 C CD GLN 25 . . B 1 24.195 36.274 12.727 1 36.47 ? CD GLN 471 B 1 25 UNP O43236 989 Q 
ATOM 480 O OE1 GLN 25 . . B 1 24.489 35.085 12.864 1 38.74 ? OE1 GLN 471 B 1 25 UNP O43236 989 Q 
ATOM 481 N NE2 GLN 25 . . B 1 22.948 36.693 12.711 1 36.46 ? NE2 GLN 471 B 1 25 UNP O43236 989 Q 
ATOM 482 N N LYS 26 . . B 1 29.437 36.912 14.361 1 31.98 ? N LYS 472 B 1 26 UNP O43236 990 K 
ATOM 483 C CA LYS 26 . . B 1 30.433 36.734 15.429 1 33.79 ? CA LYS 472 B 1 26 UNP O43236 990 K 
ATOM 484 C C LYS 26 . . B 1 31.457 37.865 15.399 1 33.79 ? C LYS 472 B 1 26 UNP O43236 990 K 
ATOM 485 O O LYS 26 . . B 1 31.808 38.433 16.436 1 34.87 ? O LYS 472 B 1 26 UNP O43236 990 K 
ATOM 486 C CB LYS 26 . . B 1 31.13 35.377 15.249 1 37.02 ? CB LYS 472 B 1 26 UNP O43236 990 K 
ATOM 487 C CG LYS 26 . . B 1 32.21 35.102 16.285 1 43.22 ? CG LYS 472 B 1 26 UNP O43236 990 K 
ATOM 488 C CD LYS 26 . . B 1 33.048 33.895 15.898 1 49.2 ? CD LYS 472 B 1 26 UNP O43236 990 K 
ATOM 489 C CE LYS 26 . . B 1 33.958 34.219 14.739 1 54.56 ? CE LYS 472 B 1 26 UNP O43236 990 K 
ATOM 490 N NZ LYS 26 . . B 1 34.974 35.248 15.113 1 57.87 ? NZ LYS 472 B 1 26 UNP O43236 990 K 
ATOM 491 N N GLN 27 . . B 1 31.924 38.221 14.203 1 32.84 ? N GLN 473 B 1 27 UNP O43236 991 Q 
ATOM 492 C CA GLN 27 . . B 1 32.9 39.297 14.043 1 32.59 ? CA GLN 473 B 1 27 UNP O43236 991 Q 
ATOM 493 C C GLN 27 . . B 1 32.319 40.67 14.389 1 32.19 ? C GLN 473 B 1 27 UNP O43236 991 Q 
ATOM 494 O O GLN 27 . . B 1 33.04 41.493 14.945 1 33.13 ? O GLN 473 B 1 27 UNP O43236 991 Q 
ATOM 495 C CB GLN 27 . . B 1 33.484 39.258 12.62 1 33.84 ? CB GLN 473 B 1 27 UNP O43236 991 Q 
ATOM 496 N N MET 28 . . B 1 31.019 40.909 14.146 1 32.11 ? N MET 474 B 1 28 UNP O43236 992 M 
ATOM 497 C CA MET 28 . . B 1 30.362 42.171 14.524 1 32.73 ? CA MET 474 B 1 28 UNP O43236 992 M 
ATOM 498 C C MET 28 . . B 1 30.251 42.265 16.048 1 35.37 ? C MET 474 B 1 28 UNP O43236 992 M 
ATOM 499 O O MET 28 . . B 1 30.474 43.326 16.624 1 35.59 ? O MET 474 B 1 28 UNP O43236 992 M 
ATOM 500 C CB MET 28 . . B 1 28.956 42.297 13.929 1 32.38 ? CB MET 474 B 1 28 UNP O43236 992 M 
ATOM 501 C CG MET 28 . . B 1 28.956 42.461 12.428 1 31.9 ? CG MET 474 B 1 28 UNP O43236 992 M 
ATOM 502 S SD MET 28 . . B 1 27.307 42.501 11.679 1 33.6 ? SD MET 474 B 1 28 UNP O43236 992 M 
ATOM 503 C CE MET 28 . . B 1 26.665 43.995 12.421 1 36.81 ? CE MET 474 B 1 28 UNP O43236 992 M 
ATOM 504 N N LYS 29 . . B 1 29.916 41.155 16.694 1 37.74 ? N LYS 475 B 1 29 UNP O43236 993 K 
ATOM 505 C CA LYS 29 . . B 1 29.809 41.111 18.153 1 41.03 ? CA LYS 475 B 1 29 UNP O43236 993 K 
ATOM 506 C C LYS 29 . . B 1 31.186 41.371 18.769 1 43.49 ? C LYS 475 B 1 29 UNP O43236 993 K 
ATOM 507 O O LYS 29 . . B 1 31.303 42.189 19.684 1 44.07 ? O LYS 475 B 1 29 UNP O43236 993 K 
ATOM 508 C CB LYS 29 . . B 1 29.269 39.757 18.59 1 42.32 ? CB LYS 475 B 1 29 UNP O43236 993 K 
ATOM 509 N N GLU 30 . . B 1 32.244 40.78 18.194 1 44.48 ? N GLU 476 B 1 30 UNP O43236 994 E 
ATOM 510 C CA GLU 30 . . B 1 33.627 40.977 18.656 1 46.96 ? CA GLU 476 B 1 30 UNP O43236 994 E 
ATOM 511 C C GLU 30 . . B 1 34.077 42.436 18.46 1 48.33 ? C GLU 476 B 1 30 UNP O43236 994 E 
ATOM 512 O O GLU 30 . . B 1 34.741 43.013 19.333 1 47.83 ? O GLU 476 B 1 30 UNP O43236 994 E 
ATOM 513 C CB GLU 30 . . B 1 34.544 40.018 17.876 1 50.1 ? CB GLU 476 B 1 30 UNP O43236 994 E 
ATOM 514 C CG GLU 30 . . B 1 36.029 40.198 18.112 1 56.3 ? CG GLU 476 B 1 30 UNP O43236 994 E 
ATOM 515 C CD GLU 30 . . B 1 36.925 39.449 17.144 1 63.84 ? CD GLU 476 B 1 30 UNP O43236 994 E 
ATOM 516 O OE1 GLU 30 . . B 1 36.422 38.991 16.092 1 65.33 ? OE1 GLU 476 B 1 30 UNP O43236 994 E 
ATOM 517 O OE2 GLU 30 . . B 1 38.137 39.328 17.437 1 67.2 ? OE2 GLU 476 B 1 30 UNP O43236 994 E 
ATOM 518 N N ASN 31 . . B 1 33.673 43.027 17.324 1 49.42 ? N ASN 477 B 1 31 UNP O43236 995 N 
ATOM 519 C CA ASN 31 . . B 1 33.948 44.394 16.87 1 50.95 ? CA ASN 477 B 1 31 UNP O43236 995 N 
ATOM 520 C C ASN 31 . . B 1 35.18 44.47 15.962 1 51.09 ? C ASN 477 B 1 31 UNP O43236 995 N 
ATOM 521 O O ASN 31 . . B 1 35.336 43.639 15.062 1 51.07 ? O ASN 477 B 1 31 UNP O43236 995 N 
ATOM 522 C CB ASN 31 . . B 1 34.022 45.396 18.014 1 53.14 ? CB ASN 477 B 1 31 UNP O43236 995 N 
ATOM 523 C CG ASN 31 . . B 1 32.69 45.983 18.394 1 56.85 ? CG ASN 477 B 1 31 UNP O43236 995 N 
ATOM 524 O OD1 ASN 31 . . B 1 32.449 47.174 18.196 1 58.6 ? OD1 ASN 477 B 1 31 UNP O43236 995 N 
ATOM 525 N ND2 ASN 31 . . B 1 31.797 45.169 18.944 1 56.26 ? ND2 ASN 477 B 1 31 UNP O43236 995 N 
HETATM 526 S S SO4 . . . C 2 23.802 49.301 13.887 1 53.36 ? S SO4 501 A 1 501 ? ? ? ? 
HETATM 527 O O1 SO4 . . . C 2 24.746 50.156 13.17 1 53.29 ? O1 SO4 501 A 1 501 ? ? ? ? 
HETATM 528 O O2 SO4 . . . C 2 24.172 49.191 15.316 1 53.4 ? O2 SO4 501 A 1 501 ? ? ? ? 
HETATM 529 O O3 SO4 . . . C 2 23.814 47.967 13.284 1 53.24 ? O3 SO4 501 A 1 501 ? ? ? ? 
HETATM 530 O O4 SO4 . . . C 2 22.459 49.882 13.809 1 53.42 ? O4 SO4 501 A 1 501 ? ? ? ? 
HETATM 531 S S SO4 . . . E 2 26.089 13.827 -2.955 1 100.29 ? S SO4 501 B 1 501 ? ? ? ? 
HETATM 532 O O1 SO4 . . . E 2 25.254 13.152 -3.945 1 100.28 ? O1 SO4 501 B 1 501 ? ? ? ? 
HETATM 533 O O2 SO4 . . . E 2 25.276 14.193 -1.795 1 100.34 ? O2 SO4 501 B 1 501 ? ? ? ? 
HETATM 534 O O3 SO4 . . . E 2 27.162 12.925 -2.536 1 100.28 ? O3 SO4 501 B 1 501 ? ? ? ? 
HETATM 535 O O4 SO4 . . . E 2 26.66 15.037 -3.543 1 100.32 ? O4 SO4 501 B 1 501 ? ? ? ? 
HETATM 536 C C ACT . . . D 3 8.339 28.074 3.421 1 31.08 ? C ACT 502 A 1 502 ? ? ? ? 
HETATM 537 O O ACT . . . D 3 9.408 27.427 3.214 1 28.66 ? O ACT 502 A 1 502 ? ? ? ? 
HETATM 538 O OXT ACT . . . D 3 7.173 27.827 2.971 1 32.55 ? OXT ACT 502 A 1 502 ? ? ? ? 
HETATM 539 C CH3 ACT . . . D 3 8.458 29.288 4.316 1 30.7 ? CH3 ACT 502 A 1 502 ? ? ? ? 
HETATM 540 C C ACT . . . F 3 20.008 17.457 2.325 1 30.65 ? C ACT 502 B 1 502 ? ? ? ? 
HETATM 541 O O ACT . . . F 3 19.438 18.147 1.474 1 29.26 ? O ACT 502 B 1 502 ? ? ? ? 
HETATM 542 O OXT ACT . . . F 3 21.21 17.251 2.289 1 33.08 ? OXT ACT 502 B 1 502 ? ? ? ? 
HETATM 543 C CH3 ACT . . . F 3 19.188 16.707 3.405 1 31.86 ? CH3 ACT 502 B 1 502 ? ? ? ? 
HETATM 544 O O HOH . . . G 4 22.706 39.547 13.15 1 29.19 ? O HOH 601 A 1 601 ? ? ? ? 
HETATM 545 O O HOH . . . G 4 20.865 34.593 12.714 1 37.31 ? O HOH 602 A 1 602 ? ? ? ? 
HETATM 546 O O HOH . . . G 4 17.451 34.638 12.028 1 39.15 ? O HOH 603 A 1 603 ? ? ? ? 
HETATM 547 O O HOH . . . G 4 14.725 25.084 7.432 1 37.35 ? O HOH 604 A 1 604 ? ? ? ? 
HETATM 548 O O HOH . . . G 4 10.262 11.223 -7.317 1 39.52 ? O HOH 605 A 1 605 ? ? ? ? 
HETATM 549 O O HOH . . . G 4 12.686 16.001 3.498 1 30.31 ? O HOH 606 A 1 606 ? ? ? ? 
HETATM 550 O O HOH . . . G 4 6.481 10.657 3.604 1 34.04 ? O HOH 607 A 1 607 ? ? ? ? 
HETATM 551 O O HOH . . . G 4 10.179 21.338 5.245 1 30.8 ? O HOH 608 A 1 608 ? ? ? ? 
HETATM 552 O O HOH . . . G 4 13.899 12.94 -2.409 1 25.91 ? O HOH 609 A 1 609 ? ? ? ? 
HETATM 553 O O HOH . . . G 4 21.788 48.675 8.042 1 32.91 ? O HOH 610 A 1 610 ? ? ? ? 
HETATM 554 O O HOH . . . G 4 5.545 6.49 -1.596 1 31.65 ? O HOH 611 A 1 611 ? ? ? ? 
HETATM 555 O O HOH . . . G 4 26.126 48.918 10.425 1 47.65 ? O HOH 612 A 1 612 ? ? ? ? 
HETATM 556 O O HOH . . . G 4 21.911 52.05 12.006 1 42.97 ? O HOH 613 A 1 613 ? ? ? ? 
HETATM 557 O O HOH . . . G 4 13.029 25.453 9.37 1 55.85 ? O HOH 614 A 1 614 ? ? ? ? 
HETATM 558 O O HOH . . . G 4 19.34 44.003 16.481 1 40.29 ? O HOH 615 A 1 615 ? ? ? ? 
HETATM 559 O O HOH . . . G 4 16.881 45.797 9.523 1 39.27 ? O HOH 616 A 1 616 ? ? ? ? 
HETATM 560 O O HOH . . . G 4 7.09 23.442 4.125 1 39.75 ? O HOH 617 A 1 617 ? ? ? ? 
HETATM 561 O O HOH . . . G 4 9.337 18.609 4.746 1 32.45 ? O HOH 618 A 1 618 ? ? ? ? 
HETATM 562 O O HOH . . . G 4 12.8 13.44 2.535 1 38.47 ? O HOH 619 A 1 619 ? ? ? ? 
HETATM 563 O O HOH . . . G 4 15.018 41.64 3.461 1 58.61 ? O HOH 620 A 1 620 ? ? ? ? 
HETATM 564 O O HOH . . . G 4 11.496 16.937 5.699 1 42.7 ? O HOH 621 A 1 621 ? ? ? ? 
HETATM 565 O O HOH . . . G 4 3.01 8.686 0.902 1 34.94 ? O HOH 622 A 1 622 ? ? ? ? 
HETATM 566 O O HOH . . . G 4 15.071 15.044 -3.782 1 24.45 ? O HOH 623 A 1 623 ? ? ? ? 
HETATM 567 O O HOH . . . H 4 22.986 18.476 1.293 1 30.5 ? O HOH 601 B 1 601 ? ? ? ? 
HETATM 568 O O HOH . . . H 4 32.021 42.506 22.102 1 31.73 ? O HOH 602 B 1 602 ? ? ? ? 
HETATM 569 O O HOH . . . H 4 25.78 26.172 8.203 1 34.92 ? O HOH 603 B 1 603 ? ? ? ? 
HETATM 570 O O HOH . . . H 4 17.563 15.622 -2.688 1 20.97 ? O HOH 604 B 1 604 ? ? ? ? 
HETATM 571 O O HOH . . . H 4 13.525 11.062 -4.609 1 32.83 ? O HOH 605 B 1 605 ? ? ? ? 
HETATM 572 O O HOH . . . H 4 24.825 33.356 14.97 1 47.86 ? O HOH 606 B 1 606 ? ? ? ? 
HETATM 573 O O HOH . . . H 4 26.357 40.336 15.753 1 34.57 ? O HOH 607 B 1 607 ? ? ? ? 
HETATM 574 O O HOH . . . H 4 14.415 14.493 -12.56 1 47.63 ? O HOH 608 B 1 608 ? ? ? ? 
HETATM 575 O O HOH . . . H 4 30.13 30.192 10.933 1 27.06 ? O HOH 609 B 1 609 ? ? ? ? 
HETATM 576 O O HOH . . . H 4 21.451 10.954 -6.099 1 37.75 ? O HOH 610 B 1 610 ? ? ? ? 
HETATM 577 O O HOH . . . H 4 27.678 33.665 15.159 1 33.01 ? O HOH 611 B 1 611 ? ? ? ? 
HETATM 578 O O HOH . . . H 4 23.215 16.634 -10.02 1 35.43 ? O HOH 612 B 1 612 ? ? ? ? 
HETATM 579 O O HOH . . . H 4 30.78 29.448 4.489 1 25.5 ? O HOH 613 B 1 613 ? ? ? ? 
HETATM 580 O O HOH . . . H 4 18.539 16.779 -13.208 1 34.1 ? O HOH 614 B 1 614 ? ? ? ? 
HETATM 581 O O HOH . . . H 4 18.14 13.573 -0.889 1 24.91 ? O HOH 615 B 1 615 ? ? ? ? 
HETATM 582 O O HOH . . . H 4 16.998 12.721 -11.756 1 46.63 ? O HOH 616 B 1 616 ? ? ? ? 
HETATM 583 O O HOH . . . H 4 27.584 35.54 17.132 1 34.55 ? O HOH 617 B 1 617 ? ? ? ? 
HETATM 584 O O HOH . . . H 4 25.958 18.186 -1.872 1 40.74 ? O HOH 618 B 1 618 ? ? ? ? 
HETATM 585 O O HOH . . . H 4 24.725 16.286 1.288 1 40.63 ? O HOH 619 B 1 619 ? ? ? ? 
HETATM 586 O O HOH . . . H 4 38.916 41.895 20.304 1 32.87 ? O HOH 620 B 1 620 ? ? ? ? 
HETATM 587 O O HOH . . . H 4 25.128 40.744 13.359 1 34.11 ? O HOH 621 B 1 621 ? ? ? ? 
#
_model_server_stats.io_time_ms              23 
_model_server_stats.parse_time_ms           6 
_model_server_stats.create_model_time_ms    1 
_model_server_stats.query_time_ms           0 
_model_server_stats.encode_time_ms          7 
_model_server_stats.element_count           587 
#