data_1V50
# 
_entry.id   1V50 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    4.007 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB  1V50       
RCSB RCSB006213 
# 
loop_
_database_PDB_rev.num 
_database_PDB_rev.date 
_database_PDB_rev.date_original 
_database_PDB_rev.status 
_database_PDB_rev.replaces 
_database_PDB_rev.mod_type 
1 2005-03-22 2003-11-20 ? 1V50 0 
2 2009-02-24 ?          ? 1V50 1 
# 
_database_PDB_rev_record.rev_num   2 
_database_PDB_rev_record.type      VERSN 
_database_PDB_rev_record.details   ? 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.db_id          1V4Z 
_pdbx_database_related.details        'the same protein' 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_database_status.status_code      REL 
_pdbx_database_status.entry_id         1V50 
_pdbx_database_status.deposit_site     PDBJ 
_pdbx_database_status.process_site     PDBJ 
_pdbx_database_status.status_code_sf   ? 
_pdbx_database_status.status_code_mr   REL 
_pdbx_database_status.SG_entry         ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kouno, T.'     1 
'Mizuguchi, M.' 2 
'Sakaguchi, M.' 3 
'Makino, E.'    4 
'Huh, N.'       5 
'Kawano, K.'    6 
# 
_citation.id                        primary 
_citation.title                     
'Study on structure-activity relationship between the N-terminal region of S100C protein and its function' 
_citation.journal_abbrev            'Peptide Science' 
_citation.journal_volume            40 
_citation.page_first                319 
_citation.page_last                 322 
_citation.year                      2003 
_citation.journal_id_ASTM           ? 
_citation.country                   JA 
_citation.journal_id_ISSN           1344-7661 
_citation.journal_id_CSD            ? 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   -1 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Kouno, T.'     1 
primary 'Mizuguchi, M.' 2 
primary 'Sakaguchi, M.' 3 
primary 'Makino, E.'    4 
primary 'Huh, N.'       5 
primary 'Kawano, K.'    6 
# 
_entity.id                         1 
_entity.type                       polymer 
_entity.src_method                 syn 
_entity.pdbx_description           Calgizzarin 
_entity.formula_weight             2161.401 
_entity.pdbx_number_of_molecules   1 
_entity.details                    ? 
_entity.pdbx_mutation              ? 
_entity.pdbx_fragment              'N-terminal fragment' 
_entity.pdbx_ec                    ? 
# 
_entity_keywords.entity_id   1 
_entity_keywords.text        ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'S100C protein, MLN 70, S100C/A11' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   yes 
_entity_poly.pdbx_seq_one_letter_code       'MAKISSPTE(TPO)ERCIESLIA' 
_entity_poly.pdbx_seq_one_letter_code_can   MAKISSPTETERCIESLIA 
_entity_poly.pdbx_strand_id                 A 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  MET n 
1 2  ALA n 
1 3  LYS n 
1 4  ILE n 
1 5  SER n 
1 6  SER n 
1 7  PRO n 
1 8  THR n 
1 9  GLU n 
1 10 TPO n 
1 11 GLU n 
1 12 ARG n 
1 13 CYS n 
1 14 ILE n 
1 15 GLU n 
1 16 SER n 
1 17 LEU n 
1 18 ILE n 
1 19 ALA n 
# 
_pdbx_entity_src_syn.entity_id              1 
_pdbx_entity_src_syn.organism_scientific    ? 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       ? 
_pdbx_entity_src_syn.details                
'The sequence of the peptide was chemically synthesized. The sequence of the peptide is naturally found in Homo sapiens (human)' 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    S10AB_HUMAN 
_struct_ref.pdbx_db_accession          P31949 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   MAKISSPTETERCIESLIA 
_struct_ref.pdbx_align_begin           1 
_struct_ref.biol_id                    . 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              1V50 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 19 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P31949 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  19 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       -1 
_struct_ref_seq.pdbx_auth_seq_align_end       17 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             1V50 
_struct_ref_seq_dif.mon_id                       TPO 
_struct_ref_seq_dif.pdbx_pdb_strand_id           A 
_struct_ref_seq_dif.seq_num                      10 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   P31949 
_struct_ref_seq_dif.db_mon_id                    THR 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          10 
_struct_ref_seq_dif.details                      'MODIFIED RESIDUE' 
_struct_ref_seq_dif.pdbx_auth_seq_num            8 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
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 
LYS 'L-peptide linking' y LYSINE           ?                  'C6 H15 N2 O2 1' 147.197 
ILE 'L-peptide linking' y ISOLEUCINE       ?                  'C6 H13 N O2'    131.174 
SER 'L-peptide linking' y SERINE           ?                  'C3 H7 N O3'     105.093 
PRO 'L-peptide linking' y PROLINE          ?                  'C5 H9 N O2'     115.132 
THR 'L-peptide linking' y THREONINE        ?                  'C4 H9 N O3'     119.120 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'  ?                  'C5 H9 N O4'     147.130 
TPO 'L-peptide linking' n PHOSPHOTHREONINE PHOSPHONOTHREONINE 'C4 H10 N O6 P'  199.100 
ARG 'L-peptide linking' y ARGININE         ?                  'C6 H15 N4 O2 1' 175.210 
CYS 'L-peptide linking' y CYSTEINE         ?                  'C3 H7 N O2 S'   121.154 
LEU 'L-peptide linking' y LEUCINE          ?                  'C6 H13 N O2'    131.174 
ALA 'L-peptide linking' y ALANINE          ?                  'C3 H7 N O2'     89.094  
MET 'L-peptide linking' y METHIONINE       ?                  'C5 H11 N O2 S'  149.207 
# 
loop_
_pdbx_nmr_exptl.experiment_id 
_pdbx_nmr_exptl.solution_id 
_pdbx_nmr_exptl.conditions_id 
_pdbx_nmr_exptl.type 
1 1 1 '2D NOESY' 
2 2 1 '2D NOESY' 
# 
_pdbx_nmr_exptl_sample_conditions.conditions_id    1 
_pdbx_nmr_exptl_sample_conditions.temperature      293 
_pdbx_nmr_exptl_sample_conditions.pressure         1atm 
_pdbx_nmr_exptl_sample_conditions.pH               7.0 
_pdbx_nmr_exptl_sample_conditions.ionic_strength   0.12 
_pdbx_nmr_exptl_sample_conditions.pressure_units   ? 
# 
loop_
_pdbx_nmr_sample_details.solution_id 
_pdbx_nmr_sample_details.contents 
_pdbx_nmr_sample_details.solvent_system 
1 '2.0mM peptide, 20mM phosphate buffer NA, 5mM dithiothreitol, 50% H2O, 50% trifluoroethanol-d3' 
'50% H2O, 50% trifluoroethanol-d3' 
2 '2.0mM peptide, 20mM phosphate buffer NA, 5mM dithiothreitol, 50% D2O, 50% trifluoroethanol-d3' 
'50% D2O, 50% trifluoroethanol-d3' 
# 
_pdbx_nmr_spectrometer.spectrometer_id   1 
_pdbx_nmr_spectrometer.type              ? 
_pdbx_nmr_spectrometer.manufacturer      Bruker 
_pdbx_nmr_spectrometer.model             DMX 
_pdbx_nmr_spectrometer.field_strength    500 
# 
_pdbx_nmr_refine.entry_id   1V50 
_pdbx_nmr_refine.method     'distance geometry, simulated annealing' 
_pdbx_nmr_refine.details    ? 
# 
_pdbx_nmr_ensemble.entry_id                             1V50 
_pdbx_nmr_ensemble.conformers_calculated_total_number   ? 
_pdbx_nmr_ensemble.conformers_submitted_total_number    1 
_pdbx_nmr_ensemble.conformer_selection_criteria         ? 
# 
_pdbx_nmr_representative.entry_id             1V50 
_pdbx_nmr_representative.conformer_id         1 
_pdbx_nmr_representative.selection_criteria   'minimized average structure' 
# 
loop_
_pdbx_nmr_software.name 
_pdbx_nmr_software.version 
_pdbx_nmr_software.classification 
_pdbx_nmr_software.authors 
_pdbx_nmr_software.ordinal 
NMRPipe 2.2   processing      Delaglio 1 
PIPP    4.3.2 'data analysis' Garrett  2 
X-PLOR  3.1   refinement      Brunger  3 
# 
_exptl.entry_id          1V50 
_exptl.method            'SOLUTION NMR' 
_exptl.crystals_number   ? 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      ? 
_exptl_crystal.density_percent_sol   ? 
_exptl_crystal.description           ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           ? 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   . 
_diffrn_radiation_wavelength.wt           1.0 
# 
_struct.entry_id                  1V50 
_struct.title                     'Solution structure of phosphorylated N-terminal fragment of S100C/A11 protein' 
_struct.pdbx_descriptor           Calgizzarin 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   'minimized average' 
# 
_struct_keywords.entry_id        1V50 
_struct_keywords.pdbx_keywords   'METAL BINDING PROTEIN' 
_struct_keywords.text            'ALPHA-HELIX, METAL BINDING PROTEIN' 
# 
_struct_asym.id                            A 
_struct_asym.pdbx_blank_PDB_chainid_flag   N 
_struct_asym.pdbx_modified                 N 
_struct_asym.entity_id                     1 
_struct_asym.details                       ? 
# 
_struct_biol.id   1 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       1 
_struct_conf.beg_label_comp_id       GLU 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        9 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       ALA 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        19 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        GLU 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         7 
_struct_conf.end_auth_comp_id        ALA 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         17 
_struct_conf.pdbx_PDB_helix_class    1 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   11 
# 
_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_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 
covale1 covale ? A GLU 9  C ? ? ? 1_555 A TPO 10 N ? ? A GLU 7 A TPO 8 1_555 ? ? ? ? ? ? ? 1.318 ? 
covale2 covale ? A TPO 10 C ? ? ? 1_555 A GLU 11 N ? ? A TPO 8 A GLU 9 1_555 ? ? ? ? ? ? ? 1.316 ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_database_PDB_matrix.entry_id          1V50 
_database_PDB_matrix.origx[1][1]       1.000000 
_database_PDB_matrix.origx[1][2]       0.000000 
_database_PDB_matrix.origx[1][3]       0.000000 
_database_PDB_matrix.origx[2][1]       0.000000 
_database_PDB_matrix.origx[2][2]       1.000000 
_database_PDB_matrix.origx[2][3]       0.000000 
_database_PDB_matrix.origx[3][1]       0.000000 
_database_PDB_matrix.origx[3][2]       0.000000 
_database_PDB_matrix.origx[3][3]       1.000000 
_database_PDB_matrix.origx_vector[1]   0.00000 
_database_PDB_matrix.origx_vector[2]   0.00000 
_database_PDB_matrix.origx_vector[3]   0.00000 
# 
_atom_sites.entry_id                    1V50 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   1.000000 
_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]   1.000000 
_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]   1.000000 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
N 
C 
O 
H 
P 
S 
# 
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.Cartn_x_esd 
_atom_site.Cartn_y_esd 
_atom_site.Cartn_z_esd 
_atom_site.occupancy_esd 
_atom_site.B_iso_or_equiv_esd 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM 1   N N    . LYS A 1 3  ? -15.419 1.749  -4.803 1.00 4.10 ? ? ? ? ? ? 1  LYS A N    1 
ATOM 2   C CA   . LYS A 1 3  ? -14.899 3.083  -4.357 1.00 3.69 ? ? ? ? ? ? 1  LYS A CA   1 
ATOM 3   C C    . LYS A 1 3  ? -14.506 3.048  -2.868 1.00 2.85 ? ? ? ? ? ? 1  LYS A C    1 
ATOM 4   O O    . LYS A 1 3  ? -14.750 3.986  -2.130 1.00 3.20 ? ? ? ? ? ? 1  LYS A O    1 
ATOM 5   C CB   . LYS A 1 3  ? -16.049 4.077  -4.602 1.00 4.42 ? ? ? ? ? ? 1  LYS A CB   1 
ATOM 6   C CG   . LYS A 1 3  ? -17.289 3.674  -3.789 1.00 5.16 ? ? ? ? ? ? 1  LYS A CG   1 
ATOM 7   C CD   . LYS A 1 3  ? -17.696 4.826  -2.865 1.00 6.00 ? ? ? ? ? ? 1  LYS A CD   1 
ATOM 8   C CE   . LYS A 1 3  ? -19.213 4.800  -2.651 1.00 6.70 ? ? ? ? ? ? 1  LYS A CE   1 
ATOM 9   N NZ   . LYS A 1 3  ? -19.455 5.669  -1.463 1.00 7.47 ? ? ? ? ? ? 1  LYS A NZ   1 
ATOM 10  H H    . LYS A 1 3  ? -14.622 1.102  -4.963 1.00 4.40 ? ? ? ? ? ? 1  LYS A H    1 
ATOM 11  H HA   . LYS A 1 3  ? -14.046 3.363  -4.956 1.00 4.10 ? ? ? ? ? ? 1  LYS A HA   1 
ATOM 12  H HB2  . LYS A 1 3  ? -15.732 5.066  -4.306 1.00 4.66 ? ? ? ? ? ? 1  LYS A HB2  1 
ATOM 13  H HB3  . LYS A 1 3  ? -16.298 4.082  -5.652 1.00 4.66 ? ? ? ? ? ? 1  LYS A HB3  1 
ATOM 14  H HG2  . LYS A 1 3  ? -18.102 3.450  -4.464 1.00 5.35 ? ? ? ? ? ? 1  LYS A HG2  1 
ATOM 15  H HG3  . LYS A 1 3  ? -17.065 2.802  -3.194 1.00 5.30 ? ? ? ? ? ? 1  LYS A HG3  1 
ATOM 16  H HD2  . LYS A 1 3  ? -17.195 4.717  -1.914 1.00 6.23 ? ? ? ? ? ? 1  LYS A HD2  1 
ATOM 17  H HD3  . LYS A 1 3  ? -17.414 5.766  -3.315 1.00 6.23 ? ? ? ? ? ? 1  LYS A HD3  1 
ATOM 18  H HE2  . LYS A 1 3  ? -19.720 5.197  -3.520 1.00 6.88 ? ? ? ? ? ? 1  LYS A HE2  1 
ATOM 19  H HE3  . LYS A 1 3  ? -19.546 3.794  -2.447 1.00 6.79 ? ? ? ? ? ? 1  LYS A HE3  1 
ATOM 20  H HZ1  . LYS A 1 3  ? -19.087 6.623  -1.648 1.00 7.72 ? ? ? ? ? ? 1  LYS A HZ1  1 
ATOM 21  H HZ2  . LYS A 1 3  ? -18.974 5.265  -0.633 1.00 7.77 ? ? ? ? ? ? 1  LYS A HZ2  1 
ATOM 22  H HZ3  . LYS A 1 3  ? -20.477 5.724  -1.278 1.00 7.74 ? ? ? ? ? ? 1  LYS A HZ3  1 
ATOM 23  N N    . ILE A 1 4  ? -13.894 1.973  -2.425 1.00 2.47 ? ? ? ? ? ? 2  ILE A N    1 
ATOM 24  C CA   . ILE A 1 4  ? -13.480 1.856  -1.010 1.00 2.59 ? ? ? ? ? ? 2  ILE A CA   1 
ATOM 25  C C    . ILE A 1 4  ? -12.317 2.803  -0.683 1.00 2.44 ? ? ? ? ? ? 2  ILE A C    1 
ATOM 26  O O    . ILE A 1 4  ? -12.109 3.164  0.460  1.00 3.17 ? ? ? ? ? ? 2  ILE A O    1 
ATOM 27  C CB   . ILE A 1 4  ? -13.060 0.391  -0.905 1.00 3.42 ? ? ? ? ? ? 2  ILE A CB   1 
ATOM 28  C CG1  . ILE A 1 4  ? -12.989 -0.009 0.543  1.00 4.14 ? ? ? ? ? ? 2  ILE A CG1  1 
ATOM 29  C CG2  . ILE A 1 4  ? -11.682 0.175  -1.549 1.00 4.27 ? ? ? ? ? ? 2  ILE A CG2  1 
ATOM 30  C CD1  . ILE A 1 4  ? -14.399 -0.211 1.105  1.00 5.01 ? ? ? ? ? ? 2  ILE A CD1  1 
ATOM 31  H H    . ILE A 1 4  ? -13.701 1.229  -3.022 1.00 2.79 ? ? ? ? ? ? 2  ILE A H    1 
ATOM 32  H HA   . ILE A 1 4  ? -14.306 2.048  -0.364 1.00 3.09 ? ? ? ? ? ? 2  ILE A HA   1 
ATOM 33  H HB   . ILE A 1 4  ? -13.787 -0.226 -1.409 1.00 3.55 ? ? ? ? ? ? 2  ILE A HB   1 
ATOM 34  H HG12 . ILE A 1 4  ? -12.440 -0.922 0.602  1.00 4.66 ? ? ? ? ? ? 2  ILE A HG12 1 
ATOM 35  H HG13 . ILE A 1 4  ? -12.485 0.762  1.095  1.00 4.00 ? ? ? ? ? ? 2  ILE A HG13 1 
ATOM 36  H HG21 . ILE A 1 4  ? -10.922 0.641  -0.939 1.00 4.74 ? ? ? ? ? ? 2  ILE A HG21 1 
ATOM 37  H HG22 . ILE A 1 4  ? -11.668 0.613  -2.536 1.00 4.61 ? ? ? ? ? ? 2  ILE A HG22 1 
ATOM 38  H HG23 . ILE A 1 4  ? -11.482 -0.884 -1.624 1.00 4.54 ? ? ? ? ? ? 2  ILE A HG23 1 
ATOM 39  H HD11 . ILE A 1 4  ? -14.987 -0.786 0.404  1.00 5.45 ? ? ? ? ? ? 2  ILE A HD11 1 
ATOM 40  H HD12 . ILE A 1 4  ? -14.865 0.750  1.263  1.00 5.32 ? ? ? ? ? ? 2  ILE A HD12 1 
ATOM 41  H HD13 . ILE A 1 4  ? -14.339 -0.741 2.044  1.00 5.29 ? ? ? ? ? ? 2  ILE A HD13 1 
ATOM 42  N N    . SER A 1 5  ? -11.571 3.190  -1.688 1.00 2.29 ? ? ? ? ? ? 3  SER A N    1 
ATOM 43  C CA   . SER A 1 5  ? -10.395 4.113  -1.509 1.00 3.00 ? ? ? ? ? ? 3  SER A CA   1 
ATOM 44  C C    . SER A 1 5  ? -9.238  3.392  -0.798 1.00 2.65 ? ? ? ? ? ? 3  SER A C    1 
ATOM 45  O O    . SER A 1 5  ? -8.175  3.225  -1.365 1.00 3.35 ? ? ? ? ? ? 3  SER A O    1 
ATOM 46  C CB   . SER A 1 5  ? -10.898 5.302  -0.681 1.00 3.80 ? ? ? ? ? ? 3  SER A CB   1 
ATOM 47  O OG   . SER A 1 5  ? -10.628 6.508  -1.383 1.00 4.16 ? ? ? ? ? ? 3  SER A OG   1 
ATOM 48  H H    . SER A 1 5  ? -11.788 2.861  -2.579 1.00 2.30 ? ? ? ? ? ? 3  SER A H    1 
ATOM 49  H HA   . SER A 1 5  ? -10.063 4.465  -2.470 1.00 3.69 ? ? ? ? ? ? 3  SER A HA   1 
ATOM 50  H HB2  . SER A 1 5  ? -11.960 5.215  -0.524 1.00 4.36 ? ? ? ? ? ? 3  SER A HB2  1 
ATOM 51  H HB3  . SER A 1 5  ? -10.394 5.310  0.273  1.00 4.09 ? ? ? ? ? ? 3  SER A HB3  1 
ATOM 52  H HG   . SER A 1 5  ? -10.937 7.240  -0.845 1.00 4.59 ? ? ? ? ? ? 3  SER A HG   1 
ATOM 53  N N    . SER A 1 6  ? -9.440  2.965  0.433  1.00 2.03 ? ? ? ? ? ? 4  SER A N    1 
ATOM 54  C CA   . SER A 1 6  ? -8.365  2.250  1.199  1.00 2.09 ? ? ? ? ? ? 4  SER A CA   1 
ATOM 55  C C    . SER A 1 6  ? -7.114  3.137  1.342  1.00 1.62 ? ? ? ? ? ? 4  SER A C    1 
ATOM 56  O O    . SER A 1 6  ? -6.226  3.099  0.509  1.00 1.93 ? ? ? ? ? ? 4  SER A O    1 
ATOM 57  C CB   . SER A 1 6  ? -8.055  0.983  0.393  1.00 3.00 ? ? ? ? ? ? 4  SER A CB   1 
ATOM 58  O OG   . SER A 1 6  ? -7.487  0.007  1.256  1.00 3.69 ? ? ? ? ? ? 4  SER A OG   1 
ATOM 59  H H    . SER A 1 6  ? -10.309 3.116  0.858  1.00 2.03 ? ? ? ? ? ? 4  SER A H    1 
ATOM 60  H HA   . SER A 1 6  ? -8.733  1.975  2.175  1.00 2.49 ? ? ? ? ? ? 4  SER A HA   1 
ATOM 61  H HB2  . SER A 1 6  ? -8.964  0.593  -0.033 1.00 3.46 ? ? ? ? ? ? 4  SER A HB2  1 
ATOM 62  H HB3  . SER A 1 6  ? -7.361  1.222  -0.402 1.00 3.26 ? ? ? ? ? ? 4  SER A HB3  1 
ATOM 63  H HG   . SER A 1 6  ? -7.129  -0.698 0.712  1.00 4.21 ? ? ? ? ? ? 4  SER A HG   1 
ATOM 64  N N    . PRO A 1 7  ? -7.084  3.908  2.409  1.00 1.90 ? ? ? ? ? ? 5  PRO A N    1 
ATOM 65  C CA   . PRO A 1 7  ? -5.932  4.813  2.674  1.00 2.41 ? ? ? ? ? ? 5  PRO A CA   1 
ATOM 66  C C    . PRO A 1 7  ? -4.737  4.054  3.293  1.00 2.37 ? ? ? ? ? ? 5  PRO A C    1 
ATOM 67  O O    . PRO A 1 7  ? -3.915  4.640  3.973  1.00 3.03 ? ? ? ? ? ? 5  PRO A O    1 
ATOM 68  C CB   . PRO A 1 7  ? -6.499  5.815  3.676  1.00 3.44 ? ? ? ? ? ? 5  PRO A CB   1 
ATOM 69  C CG   . PRO A 1 7  ? -7.616  5.097  4.370  1.00 3.55 ? ? ? ? ? ? 5  PRO A CG   1 
ATOM 70  C CD   . PRO A 1 7  ? -8.116  4.013  3.449  1.00 2.69 ? ? ? ? ? ? 5  PRO A CD   1 
ATOM 71  H HA   . PRO A 1 7  ? -5.633  5.325  1.774  1.00 2.67 ? ? ? ? ? ? 5  PRO A HA   1 
ATOM 72  H HB2  . PRO A 1 7  ? -5.738  6.105  4.387  1.00 3.95 ? ? ? ? ? ? 5  PRO A HB2  1 
ATOM 73  H HB3  . PRO A 1 7  ? -6.883  6.682  3.162  1.00 3.89 ? ? ? ? ? ? 5  PRO A HB3  1 
ATOM 74  H HG2  . PRO A 1 7  ? -7.251  4.658  5.288  1.00 3.87 ? ? ? ? ? ? 5  PRO A HG2  1 
ATOM 75  H HG3  . PRO A 1 7  ? -8.418  5.787  4.586  1.00 4.26 ? ? ? ? ? ? 5  PRO A HG3  1 
ATOM 76  H HD2  . PRO A 1 7  ? -8.212  3.079  3.985  1.00 2.97 ? ? ? ? ? ? 5  PRO A HD2  1 
ATOM 77  H HD3  . PRO A 1 7  ? -9.059  4.297  3.008  1.00 2.83 ? ? ? ? ? ? 5  PRO A HD3  1 
ATOM 78  N N    . THR A 1 8  ? -4.630  2.763  3.068  1.00 2.17 ? ? ? ? ? ? 6  THR A N    1 
ATOM 79  C CA   . THR A 1 8  ? -3.489  1.985  3.645  1.00 2.67 ? ? ? ? ? ? 6  THR A CA   1 
ATOM 80  C C    . THR A 1 8  ? -2.231  2.166  2.779  1.00 1.95 ? ? ? ? ? ? 6  THR A C    1 
ATOM 81  O O    . THR A 1 8  ? -1.969  1.387  1.881  1.00 2.37 ? ? ? ? ? ? 6  THR A O    1 
ATOM 82  C CB   . THR A 1 8  ? -3.943  0.518  3.644  1.00 3.65 ? ? ? ? ? ? 6  THR A CB   1 
ATOM 83  O OG1  . THR A 1 8  ? -4.722  0.245  2.483  1.00 4.01 ? ? ? ? ? ? 6  THR A OG1  1 
ATOM 84  C CG2  . THR A 1 8  ? -4.773  0.254  4.898  1.00 4.11 ? ? ? ? ? ? 6  THR A CG2  1 
ATOM 85  H H    . THR A 1 8  ? -5.296  2.306  2.521  1.00 2.14 ? ? ? ? ? ? 6  THR A H    1 
ATOM 86  H HA   . THR A 1 8  ? -3.301  2.301  4.660  1.00 3.30 ? ? ? ? ? ? 6  THR A HA   1 
ATOM 87  H HB   . THR A 1 8  ? -3.076  -0.125 3.653  1.00 4.28 ? ? ? ? ? ? 6  THR A HB   1 
ATOM 88  H HG1  . THR A 1 8  ? -4.130  -0.066 1.794  1.00 4.43 ? ? ? ? ? ? 6  THR A HG1  1 
ATOM 89  H HG21 . THR A 1 8  ? -5.818  0.424  4.682  1.00 4.44 ? ? ? ? ? ? 6  THR A HG21 1 
ATOM 90  H HG22 . THR A 1 8  ? -4.454  0.925  5.683  1.00 4.45 ? ? ? ? ? ? 6  THR A HG22 1 
ATOM 91  H HG23 . THR A 1 8  ? -4.631  -0.767 5.217  1.00 4.27 ? ? ? ? ? ? 6  THR A HG23 1 
ATOM 92  N N    . GLU A 1 9  ? -1.450  3.190  3.042  1.00 1.49 ? ? ? ? ? ? 7  GLU A N    1 
ATOM 93  C CA   . GLU A 1 9  ? -0.207  3.423  2.236  1.00 1.78 ? ? ? ? ? ? 7  GLU A CA   1 
ATOM 94  C C    . GLU A 1 9  ? 0.884   2.398  2.592  1.00 1.43 ? ? ? ? ? ? 7  GLU A C    1 
ATOM 95  O O    . GLU A 1 9  ? 1.860   2.262  1.877  1.00 1.47 ? ? ? ? ? ? 7  GLU A O    1 
ATOM 96  C CB   . GLU A 1 9  ? 0.250   4.838  2.599  1.00 2.66 ? ? ? ? ? ? 7  GLU A CB   1 
ATOM 97  C CG   . GLU A 1 9  ? -0.568  5.863  1.806  1.00 3.55 ? ? ? ? ? ? 7  GLU A CG   1 
ATOM 98  C CD   . GLU A 1 9  ? -1.069  6.962  2.745  1.00 4.51 ? ? ? ? ? ? 7  GLU A CD   1 
ATOM 99  O OE1  . GLU A 1 9  ? -2.134  6.788  3.315  1.00 4.97 ? ? ? ? ? ? 7  GLU A OE1  1 
ATOM 100 O OE2  . GLU A 1 9  ? -0.380  7.961  2.878  1.00 5.12 ? ? ? ? ? ? 7  GLU A OE2  1 
ATOM 101 H H    . GLU A 1 9  ? -1.681  3.807  3.768  1.00 1.66 ? ? ? ? ? ? 7  GLU A H    1 
ATOM 102 H HA   . GLU A 1 9  ? -0.431  3.373  1.181  1.00 2.33 ? ? ? ? ? ? 7  GLU A HA   1 
ATOM 103 H HB2  . GLU A 1 9  ? 0.107   5.002  3.658  1.00 2.61 ? ? ? ? ? ? 7  GLU A HB2  1 
ATOM 104 H HB3  . GLU A 1 9  ? 1.296   4.952  2.356  1.00 3.20 ? ? ? ? ? ? 7  GLU A HB3  1 
ATOM 105 H HG2  . GLU A 1 9  ? 0.053   6.300  1.037  1.00 3.83 ? ? ? ? ? ? 7  GLU A HG2  1 
ATOM 106 H HG3  . GLU A 1 9  ? -1.413  5.371  1.347  1.00 3.70 ? ? ? ? ? ? 7  GLU A HG3  1 
ATOM 107 N N    . TPO A 1 10 ? 0.733   1.677  3.685  1.00 1.84 ? ? ? ? ? ? 8  TPO A N    1 
ATOM 108 C CA   . TPO A 1 10 ? 1.762   0.668  4.074  1.00 2.51 ? ? ? ? ? ? 8  TPO A CA   1 
ATOM 109 C CB   . TPO A 1 10 ? 1.248   0.033  5.373  1.00 3.60 ? ? ? ? ? ? 8  TPO A CB   1 
ATOM 110 C CG2  . TPO A 1 10 ? 2.334   -0.866 5.940  1.00 4.57 ? ? ? ? ? ? 8  TPO A CG2  1 
ATOM 111 O OG1  . TPO A 1 10 ? 0.934   1.052  6.316  1.00 4.04 ? ? ? ? ? ? 8  TPO A OG1  1 
ATOM 112 P P    . TPO A 1 10 ? -0.453  0.930  7.158  1.00 4.74 ? ? ? ? ? ? 8  TPO A P    1 
ATOM 113 O O1P  . TPO A 1 10 ? -0.172  1.599  8.561  1.00 5.27 ? ? ? ? ? ? 8  TPO A O1P  1 
ATOM 114 O O2P  . TPO A 1 10 ? -0.806  -0.622 7.313  1.00 5.23 ? ? ? ? ? ? 8  TPO A O2P  1 
ATOM 115 O O3P  . TPO A 1 10 ? -1.547  1.762  6.319  1.00 5.10 ? ? ? ? ? ? 8  TPO A O3P  1 
ATOM 116 C C    . TPO A 1 10 ? 1.927   -0.396 2.976  1.00 2.05 ? ? ? ? ? ? 8  TPO A C    1 
ATOM 117 O O    . TPO A 1 10 ? 3.020   -0.866 2.733  1.00 2.26 ? ? ? ? ? ? 8  TPO A O    1 
ATOM 118 H H    . TPO A 1 10 ? -0.053  1.801  4.250  1.00 2.07 ? ? ? ? ? ? 8  TPO A H    1 
ATOM 119 H HA   . TPO A 1 10 ? 2.706   1.156  4.259  1.00 2.96 ? ? ? ? ? ? 8  TPO A HA   1 
ATOM 120 H HB   . TPO A 1 10 ? 0.369   -0.562 5.176  1.00 3.59 ? ? ? ? ? ? 8  TPO A HB   1 
ATOM 121 H HG21 . TPO A 1 10 ? 3.063   -0.261 6.456  1.00 4.81 ? ? ? ? ? ? 8  TPO A HG21 1 
ATOM 122 H HG22 . TPO A 1 10 ? 2.811   -1.397 5.131  1.00 4.90 ? ? ? ? ? ? 8  TPO A HG22 1 
ATOM 123 H HG23 . TPO A 1 10 ? 1.894   -1.570 6.628  1.00 5.02 ? ? ? ? ? ? 8  TPO A HG23 1 
ATOM 124 N N    . GLU A 1 11 ? 0.859   -0.770 2.304  1.00 1.97 ? ? ? ? ? ? 9  GLU A N    1 
ATOM 125 C CA   . GLU A 1 11 ? 0.975   -1.796 1.216  1.00 2.50 ? ? ? ? ? ? 9  GLU A CA   1 
ATOM 126 C C    . GLU A 1 11 ? 1.774   -1.234 0.028  1.00 1.87 ? ? ? ? ? ? 9  GLU A C    1 
ATOM 127 O O    . GLU A 1 11 ? 2.363   -1.977 -0.734 1.00 2.19 ? ? ? ? ? ? 9  GLU A O    1 
ATOM 128 C CB   . GLU A 1 11 ? -0.469  -2.135 0.806  1.00 3.48 ? ? ? ? ? ? 9  GLU A CB   1 
ATOM 129 C CG   . GLU A 1 11 ? -1.131  -0.937 0.107  1.00 4.09 ? ? ? ? ? ? 9  GLU A CG   1 
ATOM 130 C CD   . GLU A 1 11 ? -1.425  -1.289 -1.355 1.00 5.19 ? ? ? ? ? ? 9  GLU A CD   1 
ATOM 131 O OE1  . GLU A 1 11 ? -0.486  -1.350 -2.133 1.00 5.61 ? ? ? ? ? ? 9  GLU A OE1  1 
ATOM 132 O OE2  . GLU A 1 11 ? -2.586  -1.489 -1.673 1.00 5.87 ? ? ? ? ? ? 9  GLU A OE2  1 
ATOM 133 H H    . GLU A 1 11 ? -0.011  -0.371 2.506  1.00 1.97 ? ? ? ? ? ? 9  GLU A H    1 
ATOM 134 H HA   . GLU A 1 11 ? 1.459   -2.681 1.598  1.00 3.06 ? ? ? ? ? ? 9  GLU A HA   1 
ATOM 135 H HB2  . GLU A 1 11 ? -0.458  -2.979 0.132  1.00 3.83 ? ? ? ? ? ? 9  GLU A HB2  1 
ATOM 136 H HB3  . GLU A 1 11 ? -1.039  -2.391 1.687  1.00 3.88 ? ? ? ? ? ? 9  GLU A HB3  1 
ATOM 137 H HG2  . GLU A 1 11 ? -2.055  -0.695 0.611  1.00 4.23 ? ? ? ? ? ? 9  GLU A HG2  1 
ATOM 138 H HG3  . GLU A 1 11 ? -0.470  -0.085 0.143  1.00 4.09 ? ? ? ? ? ? 9  GLU A HG3  1 
ATOM 139 N N    . ARG A 1 12 ? 1.805   0.071  -0.126 1.00 1.52 ? ? ? ? ? ? 10 ARG A N    1 
ATOM 140 C CA   . ARG A 1 12 ? 2.572   0.685  -1.252 1.00 2.15 ? ? ? ? ? ? 10 ARG A CA   1 
ATOM 141 C C    . ARG A 1 12 ? 4.048   0.832  -0.863 1.00 1.75 ? ? ? ? ? ? 10 ARG A C    1 
ATOM 142 O O    . ARG A 1 12 ? 4.931   0.532  -1.643 1.00 2.08 ? ? ? ? ? ? 10 ARG A O    1 
ATOM 143 C CB   . ARG A 1 12 ? 1.931   2.057  -1.471 1.00 3.04 ? ? ? ? ? ? 10 ARG A CB   1 
ATOM 144 C CG   . ARG A 1 12 ? 0.674   1.898  -2.327 1.00 3.94 ? ? ? ? ? ? 10 ARG A CG   1 
ATOM 145 C CD   . ARG A 1 12 ? 1.016   2.136  -3.801 1.00 5.16 ? ? ? ? ? ? 10 ARG A CD   1 
ATOM 146 N NE   . ARG A 1 12 ? -0.300  2.249  -4.493 1.00 6.06 ? ? ? ? ? ? 10 ARG A NE   1 
ATOM 147 C CZ   . ARG A 1 12 ? -0.975  1.171  -4.801 1.00 6.46 ? ? ? ? ? ? 10 ARG A CZ   1 
ATOM 148 N NH1  . ARG A 1 12 ? -0.704  0.524  -5.905 1.00 6.91 ? ? ? ? ? ? 10 ARG A NH1  1 
ATOM 149 N NH2  . ARG A 1 12 ? -1.921  0.743  -4.004 1.00 6.74 ? ? ? ? ? ? 10 ARG A NH2  1 
ATOM 150 H H    . ARG A 1 12 ? 1.329   0.649  0.505  1.00 1.37 ? ? ? ? ? ? 10 ARG A H    1 
ATOM 151 H HA   . ARG A 1 12 ? 2.473   0.088  -2.144 1.00 2.77 ? ? ? ? ? ? 10 ARG A HA   1 
ATOM 152 H HB2  . ARG A 1 12 ? 1.664   2.489  -0.516 1.00 2.63 ? ? ? ? ? ? 10 ARG A HB2  1 
ATOM 153 H HB3  . ARG A 1 12 ? 2.630   2.706  -1.977 1.00 3.72 ? ? ? ? ? ? 10 ARG A HB3  1 
ATOM 154 H HG2  . ARG A 1 12 ? 0.281   0.900  -2.206 1.00 3.91 ? ? ? ? ? ? 10 ARG A HG2  1 
ATOM 155 H HG3  . ARG A 1 12 ? -0.064  2.614  -2.011 1.00 4.02 ? ? ? ? ? ? 10 ARG A HG3  1 
ATOM 156 H HD2  . ARG A 1 12 ? 1.581   3.052  -3.911 1.00 5.40 ? ? ? ? ? ? 10 ARG A HD2  1 
ATOM 157 H HD3  . ARG A 1 12 ? 1.572   1.301  -4.198 1.00 5.38 ? ? ? ? ? ? 10 ARG A HD3  1 
ATOM 158 H HE   . ARG A 1 12 ? -0.660  3.133  -4.719 1.00 6.55 ? ? ? ? ? ? 10 ARG A HE   1 
ATOM 159 H HH11 . ARG A 1 12 ? 0.018   0.852  -6.514 1.00 6.96 ? ? ? ? ? ? 10 ARG A HH11 1 
ATOM 160 H HH12 . ARG A 1 12 ? -1.220  -0.301 -6.142 1.00 7.42 ? ? ? ? ? ? 10 ARG A HH12 1 
ATOM 161 H HH21 . ARG A 1 12 ? -2.128  1.240  -3.160 1.00 6.66 ? ? ? ? ? ? 10 ARG A HH21 1 
ATOM 162 H HH22 . ARG A 1 12 ? -2.438  -0.081 -4.237 1.00 7.26 ? ? ? ? ? ? 10 ARG A HH22 1 
ATOM 163 N N    . CYS A 1 13 ? 4.317   1.286  0.342  1.00 1.72 ? ? ? ? ? ? 11 CYS A N    1 
ATOM 164 C CA   . CYS A 1 13 ? 5.736   1.449  0.794  1.00 2.53 ? ? ? ? ? ? 11 CYS A CA   1 
ATOM 165 C C    . CYS A 1 13 ? 6.392   0.076  0.992  1.00 2.08 ? ? ? ? ? ? 11 CYS A C    1 
ATOM 166 O O    . CYS A 1 13 ? 7.538   -0.123 0.638  1.00 2.37 ? ? ? ? ? ? 11 CYS A O    1 
ATOM 167 C CB   . CYS A 1 13 ? 5.652   2.204  2.124  1.00 3.41 ? ? ? ? ? ? 11 CYS A CB   1 
ATOM 168 S SG   . CYS A 1 13 ? 7.281   2.870  2.547  1.00 4.84 ? ? ? ? ? ? 11 CYS A SG   1 
ATOM 169 H H    . CYS A 1 13 ? 3.582   1.515  0.950  1.00 1.61 ? ? ? ? ? ? 11 CYS A H    1 
ATOM 170 H HA   . CYS A 1 13 ? 6.295   2.031  0.075  1.00 3.17 ? ? ? ? ? ? 11 CYS A HA   1 
ATOM 171 H HB2  . CYS A 1 13 ? 4.945   3.016  2.033  1.00 3.68 ? ? ? ? ? ? 11 CYS A HB2  1 
ATOM 172 H HB3  . CYS A 1 13 ? 5.326   1.529  2.901  1.00 3.17 ? ? ? ? ? ? 11 CYS A HB3  1 
ATOM 173 H HG   . CYS A 1 13 ? 7.337   2.933  3.503  1.00 5.25 ? ? ? ? ? ? 11 CYS A HG   1 
ATOM 174 N N    . ILE A 1 14 ? 5.672   -0.878 1.541  1.00 1.88 ? ? ? ? ? ? 12 ILE A N    1 
ATOM 175 C CA   . ILE A 1 14 ? 6.244   -2.232 1.741  1.00 2.43 ? ? ? ? ? ? 12 ILE A CA   1 
ATOM 176 C C    . ILE A 1 14 ? 6.565   -2.856 0.374  1.00 1.67 ? ? ? ? ? ? 12 ILE A C    1 
ATOM 177 O O    . ILE A 1 14 ? 7.623   -3.421 0.179  1.00 1.90 ? ? ? ? ? ? 12 ILE A O    1 
ATOM 178 C CB   . ILE A 1 14 ? 5.127   -2.988 2.465  1.00 3.17 ? ? ? ? ? ? 12 ILE A CB   1 
ATOM 179 C CG1  . ILE A 1 14 ? 5.151   -2.620 3.959  1.00 4.23 ? ? ? ? ? ? 12 ILE A CG1  1 
ATOM 180 C CG2  . ILE A 1 14 ? 5.301   -4.488 2.279  1.00 3.93 ? ? ? ? ? ? 12 ILE A CG2  1 
ATOM 181 C CD1  . ILE A 1 14 ? 6.204   -3.450 4.704  1.00 5.33 ? ? ? ? ? ? 12 ILE A CD1  1 
ATOM 182 H H    . ILE A 1 14 ? 4.747   -0.710 1.814  1.00 1.79 ? ? ? ? ? ? 12 ILE A H    1 
ATOM 183 H HA   . ILE A 1 14 ? 7.128   -2.186 2.358  1.00 3.19 ? ? ? ? ? ? 12 ILE A HA   1 
ATOM 184 H HB   . ILE A 1 14 ? 4.176   -2.694 2.045  1.00 2.69 ? ? ? ? ? ? 12 ILE A HB   1 
ATOM 185 H HG12 . ILE A 1 14 ? 5.388   -1.571 4.062  1.00 4.10 ? ? ? ? ? ? 12 ILE A HG12 1 
ATOM 186 H HG13 . ILE A 1 14 ? 4.179   -2.807 4.385  1.00 4.51 ? ? ? ? ? ? 12 ILE A HG13 1 
ATOM 187 H HG21 . ILE A 1 14 ? 4.719   -5.011 3.020  1.00 4.07 ? ? ? ? ? ? 12 ILE A HG21 1 
ATOM 188 H HG22 . ILE A 1 14 ? 6.342   -4.744 2.385  1.00 4.41 ? ? ? ? ? ? 12 ILE A HG22 1 
ATOM 189 H HG23 . ILE A 1 14 ? 4.959   -4.759 1.293  1.00 4.28 ? ? ? ? ? ? 12 ILE A HG23 1 
ATOM 190 H HD11 . ILE A 1 14 ? 7.113   -3.487 4.121  1.00 5.73 ? ? ? ? ? ? 12 ILE A HD11 1 
ATOM 191 H HD12 . ILE A 1 14 ? 5.832   -4.453 4.854  1.00 5.66 ? ? ? ? ? ? 12 ILE A HD12 1 
ATOM 192 H HD13 . ILE A 1 14 ? 6.408   -2.995 5.662  1.00 5.65 ? ? ? ? ? ? 12 ILE A HD13 1 
ATOM 193 N N    . GLU A 1 15 ? 5.664   -2.732 -0.576 1.00 1.27 ? ? ? ? ? ? 13 GLU A N    1 
ATOM 194 C CA   . GLU A 1 15 ? 5.920   -3.293 -1.941 1.00 1.74 ? ? ? ? ? ? 13 GLU A CA   1 
ATOM 195 C C    . GLU A 1 15 ? 7.043   -2.505 -2.631 1.00 1.21 ? ? ? ? ? ? 13 GLU A C    1 
ATOM 196 O O    . GLU A 1 15 ? 7.802   -3.056 -3.404 1.00 1.66 ? ? ? ? ? ? 13 GLU A O    1 
ATOM 197 C CB   . GLU A 1 15 ? 4.601   -3.133 -2.705 1.00 2.67 ? ? ? ? ? ? 13 GLU A CB   1 
ATOM 198 C CG   . GLU A 1 15 ? 3.731   -4.377 -2.493 1.00 3.77 ? ? ? ? ? ? 13 GLU A CG   1 
ATOM 199 C CD   . GLU A 1 15 ? 4.167   -5.482 -3.460 1.00 4.79 ? ? ? ? ? ? 13 GLU A CD   1 
ATOM 200 O OE1  . GLU A 1 15 ? 5.086   -6.210 -3.122 1.00 5.37 ? ? ? ? ? ? 13 GLU A OE1  1 
ATOM 201 O OE2  . GLU A 1 15 ? 3.574   -5.581 -4.522 1.00 5.31 ? ? ? ? ? ? 13 GLU A OE2  1 
ATOM 202 H H    . GLU A 1 15 ? 4.826   -2.255 -0.394 1.00 1.26 ? ? ? ? ? ? 13 GLU A H    1 
ATOM 203 H HA   . GLU A 1 15 ? 6.185   -4.340 -1.873 1.00 2.39 ? ? ? ? ? ? 13 GLU A HA   1 
ATOM 204 H HB2  . GLU A 1 15 ? 4.077   -2.259 -2.343 1.00 2.69 ? ? ? ? ? ? 13 GLU A HB2  1 
ATOM 205 H HB3  . GLU A 1 15 ? 4.807   -3.017 -3.758 1.00 3.00 ? ? ? ? ? ? 13 GLU A HB3  1 
ATOM 206 H HG2  . GLU A 1 15 ? 3.841   -4.724 -1.475 1.00 4.13 ? ? ? ? ? ? 13 GLU A HG2  1 
ATOM 207 H HG3  . GLU A 1 15 ? 2.697   -4.127 -2.678 1.00 3.93 ? ? ? ? ? ? 13 GLU A HG3  1 
ATOM 208 N N    . SER A 1 16 ? 7.164   -1.224 -2.342 1.00 1.19 ? ? ? ? ? ? 14 SER A N    1 
ATOM 209 C CA   . SER A 1 16 ? 8.256   -0.409 -2.967 1.00 2.21 ? ? ? ? ? ? 14 SER A CA   1 
ATOM 210 C C    . SER A 1 16 ? 9.619   -0.984 -2.549 1.00 1.99 ? ? ? ? ? ? 14 SER A C    1 
ATOM 211 O O    . SER A 1 16 ? 10.543  -1.048 -3.337 1.00 2.29 ? ? ? ? ? ? 14 SER A O    1 
ATOM 212 C CB   . SER A 1 16 ? 8.057   1.021  -2.438 1.00 3.09 ? ? ? ? ? ? 14 SER A CB   1 
ATOM 213 O OG   . SER A 1 16 ? 8.828   1.222  -1.259 1.00 3.33 ? ? ? ? ? ? 14 SER A OG   1 
ATOM 214 H H    . SER A 1 16 ? 6.547   -0.806 -1.706 1.00 1.05 ? ? ? ? ? ? 14 SER A H    1 
ATOM 215 H HA   . SER A 1 16 ? 8.160   -0.421 -4.041 1.00 2.84 ? ? ? ? ? ? 14 SER A HA   1 
ATOM 216 H HB2  . SER A 1 16 ? 8.369   1.729  -3.184 1.00 3.95 ? ? ? ? ? ? 14 SER A HB2  1 
ATOM 217 H HB3  . SER A 1 16 ? 7.009   1.176  -2.224 1.00 3.05 ? ? ? ? ? ? 14 SER A HB3  1 
ATOM 218 H HG   . SER A 1 16 ? 8.740   2.142  -1.000 1.00 4.10 ? ? ? ? ? ? 14 SER A HG   1 
ATOM 219 N N    . LEU A 1 17 ? 9.731   -1.430 -1.316 1.00 2.02 ? ? ? ? ? ? 15 LEU A N    1 
ATOM 220 C CA   . LEU A 1 17 ? 11.012  -2.036 -0.839 1.00 2.55 ? ? ? ? ? ? 15 LEU A CA   1 
ATOM 221 C C    . LEU A 1 17 ? 11.130  -3.462 -1.395 1.00 1.80 ? ? ? ? ? ? 15 LEU A C    1 
ATOM 222 O O    . LEU A 1 17 ? 12.202  -3.908 -1.759 1.00 2.02 ? ? ? ? ? ? 15 LEU A O    1 
ATOM 223 C CB   . LEU A 1 17 ? 10.910  -2.062 0.693  1.00 3.55 ? ? ? ? ? ? 15 LEU A CB   1 
ATOM 224 C CG   . LEU A 1 17 ? 10.840  -0.631 1.238  1.00 4.48 ? ? ? ? ? ? 15 LEU A CG   1 
ATOM 225 C CD1  . LEU A 1 17 ? 10.299  -0.655 2.669  1.00 5.55 ? ? ? ? ? ? 15 LEU A CD1  1 
ATOM 226 C CD2  . LEU A 1 17 ? 12.241  -0.011 1.233  1.00 5.13 ? ? ? ? ? ? 15 LEU A CD2  1 
ATOM 227 H H    . LEU A 1 17 ? 8.960   -1.385 -0.711 1.00 2.08 ? ? ? ? ? ? 15 LEU A H    1 
ATOM 228 H HA   . LEU A 1 17 ? 11.854  -1.437 -1.147 1.00 3.13 ? ? ? ? ? ? 15 LEU A HA   1 
ATOM 229 H HB2  . LEU A 1 17 ? 10.020  -2.601 0.983  1.00 3.31 ? ? ? ? ? ? 15 LEU A HB2  1 
ATOM 230 H HB3  . LEU A 1 17 ? 11.778  -2.558 1.101  1.00 4.09 ? ? ? ? ? ? 15 LEU A HB3  1 
ATOM 231 H HG   . LEU A 1 17 ? 10.181  -0.042 0.617  1.00 4.13 ? ? ? ? ? ? 15 LEU A HG   1 
ATOM 232 H HD11 . LEU A 1 17 ? 10.951  -1.251 3.291  1.00 6.06 ? ? ? ? ? ? 15 LEU A HD11 1 
ATOM 233 H HD12 . LEU A 1 17 ? 9.308   -1.085 2.672  1.00 5.88 ? ? ? ? ? ? 15 LEU A HD12 1 
ATOM 234 H HD13 . LEU A 1 17 ? 10.256  0.353  3.055  1.00 5.77 ? ? ? ? ? ? 15 LEU A HD13 1 
ATOM 235 H HD21 . LEU A 1 17 ? 12.627  0.001  0.224  1.00 5.49 ? ? ? ? ? ? 15 LEU A HD21 1 
ATOM 236 H HD22 . LEU A 1 17 ? 12.896  -0.596 1.862  1.00 5.31 ? ? ? ? ? ? 15 LEU A HD22 1 
ATOM 237 H HD23 . LEU A 1 17 ? 12.188  0.999  1.610  1.00 5.40 ? ? ? ? ? ? 15 LEU A HD23 1 
ATOM 238 N N    . ILE A 1 18 ? 10.022  -4.167 -1.473 1.00 1.42 ? ? ? ? ? ? 16 ILE A N    1 
ATOM 239 C CA   . ILE A 1 18 ? 10.033  -5.562 -2.019 1.00 2.02 ? ? ? ? ? ? 16 ILE A CA   1 
ATOM 240 C C    . ILE A 1 18 ? 10.481  -5.541 -3.490 1.00 1.82 ? ? ? ? ? ? 16 ILE A C    1 
ATOM 241 O O    . ILE A 1 18 ? 11.261  -6.370 -3.919 1.00 2.26 ? ? ? ? ? ? 16 ILE A O    1 
ATOM 242 C CB   . ILE A 1 18 ? 8.578   -6.048 -1.895 1.00 2.81 ? ? ? ? ? ? 16 ILE A CB   1 
ATOM 243 C CG1  . ILE A 1 18 ? 8.263   -6.349 -0.425 1.00 3.48 ? ? ? ? ? ? 16 ILE A CG1  1 
ATOM 244 C CG2  . ILE A 1 18 ? 8.371   -7.317 -2.728 1.00 3.89 ? ? ? ? ? ? 16 ILE A CG2  1 
ATOM 245 C CD1  . ILE A 1 18 ? 6.756   -6.548 -0.247 1.00 4.11 ? ? ? ? ? ? 16 ILE A CD1  1 
ATOM 246 H H    . ILE A 1 18 ? 9.175   -3.770 -1.180 1.00 1.28 ? ? ? ? ? ? 16 ILE A H    1 
ATOM 247 H HA   . ILE A 1 18 ? 10.684  -6.192 -1.435 1.00 2.62 ? ? ? ? ? ? 16 ILE A HA   1 
ATOM 248 H HB   . ILE A 1 18 ? 7.913   -5.276 -2.254 1.00 2.57 ? ? ? ? ? ? 16 ILE A HB   1 
ATOM 249 H HG12 . ILE A 1 18 ? 8.782   -7.246 -0.123 1.00 4.14 ? ? ? ? ? ? 16 ILE A HG12 1 
ATOM 250 H HG13 . ILE A 1 18 ? 8.588   -5.522 0.188  1.00 3.19 ? ? ? ? ? ? 16 ILE A HG13 1 
ATOM 251 H HG21 . ILE A 1 18 ? 8.525   -7.092 -3.772 1.00 4.25 ? ? ? ? ? ? 16 ILE A HG21 1 
ATOM 252 H HG22 . ILE A 1 18 ? 7.363   -7.678 -2.584 1.00 4.27 ? ? ? ? ? ? 16 ILE A HG22 1 
ATOM 253 H HG23 . ILE A 1 18 ? 9.074   -8.074 -2.413 1.00 4.35 ? ? ? ? ? ? 16 ILE A HG23 1 
ATOM 254 H HD11 . ILE A 1 18 ? 6.253   -5.597 -0.342 1.00 4.51 ? ? ? ? ? ? 16 ILE A HD11 1 
ATOM 255 H HD12 . ILE A 1 18 ? 6.561   -6.962 0.731  1.00 4.39 ? ? ? ? ? ? 16 ILE A HD12 1 
ATOM 256 H HD13 . ILE A 1 18 ? 6.390   -7.225 -1.004 1.00 4.28 ? ? ? ? ? ? 16 ILE A HD13 1 
ATOM 257 N N    . ALA A 1 19 ? 9.994   -4.592 -4.255 1.00 1.95 ? ? ? ? ? ? 17 ALA A N    1 
ATOM 258 C CA   . ALA A 1 19 ? 10.387  -4.499 -5.696 1.00 2.87 ? ? ? ? ? ? 17 ALA A CA   1 
ATOM 259 C C    . ALA A 1 19 ? 11.809  -3.934 -5.826 1.00 2.84 ? ? ? ? ? ? 17 ALA A C    1 
ATOM 260 O O    . ALA A 1 19 ? 12.096  -2.936 -5.182 1.00 2.92 ? ? ? ? ? ? 17 ALA A O    1 
ATOM 261 C CB   . ALA A 1 19 ? 9.368   -3.545 -6.326 1.00 3.38 ? ? ? ? ? ? 17 ALA A CB   1 
ATOM 262 O OXT  . ALA A 1 19 ? 12.586  -4.512 -6.567 1.00 3.24 ? ? ? ? ? ? 17 ALA A OXT  1 
ATOM 263 H H    . ALA A 1 19 ? 9.371   -3.935 -3.878 1.00 1.87 ? ? ? ? ? ? 17 ALA A H    1 
ATOM 264 H HA   . ALA A 1 19 ? 10.322  -5.468 -6.166 1.00 3.60 ? ? ? ? ? ? 17 ALA A HA   1 
ATOM 265 H HB1  . ALA A 1 19 ? 8.407   -4.034 -6.387 1.00 3.89 ? ? ? ? ? ? 17 ALA A HB1  1 
ATOM 266 H HB2  . ALA A 1 19 ? 9.696   -3.271 -7.318 1.00 3.69 ? ? ? ? ? ? 17 ALA A HB2  1 
ATOM 267 H HB3  . ALA A 1 19 ? 9.281   -2.656 -5.718 1.00 3.49 ? ? ? ? ? ? 17 ALA A HB3  1 
# 
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  MET 1  -1 ?  ?   ?   A . n 
A 1 2  ALA 2  0  ?  ?   ?   A . n 
A 1 3  LYS 3  1  1  LYS LYS A . n 
A 1 4  ILE 4  2  2  ILE ILE A . n 
A 1 5  SER 5  3  3  SER SER A . n 
A 1 6  SER 6  4  4  SER SER A . n 
A 1 7  PRO 7  5  5  PRO PRO A . n 
A 1 8  THR 8  6  6  THR THR A . n 
A 1 9  GLU 9  7  7  GLU GLU A . n 
A 1 10 TPO 10 8  8  TPO TPO A . n 
A 1 11 GLU 11 9  9  GLU GLU A . n 
A 1 12 ARG 12 10 10 ARG ARG A . n 
A 1 13 CYS 13 11 11 CYS CYS A . n 
A 1 14 ILE 14 12 12 ILE ILE A . n 
A 1 15 GLU 15 13 13 GLU GLU A . n 
A 1 16 SER 16 14 14 SER SER A . n 
A 1 17 LEU 17 15 15 LEU LEU A . n 
A 1 18 ILE 18 16 16 ILE ILE A . n 
A 1 19 ALA 19 17 17 ALA ALA A . n 
# 
loop_
_pdbx_version.entry_id 
_pdbx_version.revision_date 
_pdbx_version.major_version 
_pdbx_version.minor_version 
_pdbx_version.revision_type 
_pdbx_version.details 
1V50 2008-04-27 3 2    'Version format compliance' 'compliance with PDB format V.3.15'          
1V50 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4' 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_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 
1 Y 1 1 A MET -1 ? 
2 Y 1 1 A ALA 0  ? 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
1 Y 1 1 A TPO 8 ? HOP2 ? 
2 Y 1 1 A TPO 8 ? HOP3 ? 
# 
_pdbx_struct_mod_residue.id               1 
_pdbx_struct_mod_residue.label_asym_id    A 
_pdbx_struct_mod_residue.label_seq_id     10 
_pdbx_struct_mod_residue.label_comp_id    TPO 
_pdbx_struct_mod_residue.auth_asym_id     A 
_pdbx_struct_mod_residue.auth_seq_id      8 
_pdbx_struct_mod_residue.auth_comp_id     TPO 
_pdbx_struct_mod_residue.PDB_ins_code     ? 
_pdbx_struct_mod_residue.parent_comp_id   THR 
_pdbx_struct_mod_residue.details          PHOSPHOTHREONINE 
# 
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.phi 
_pdbx_validate_torsion.psi 
1 1 SER A 3 ? 71.19 -63.11 
2 1 SER A 4 ? 59.17 89.87  
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     10 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.rmsd            0.315 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A 
# 
_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 
# 
